| 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 | 28.1 | Very low | 38.3 | Very low | 261 Ų | 261 | 145.3 Ų | 145.3 | 100% | 1.286 | 78% | 0.782 | S | S | * | * | 0 | 0 | 0 | -84.5 | -134.4 | -149.1 | 0 | 0 | 110.2 | |||||
| 2 | G | 33.7 | Very low | 39.5 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 3 | D | 32 | Very low | 40.7 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 90% | 0.898 | 71% | 0.712 | S | S | * | * | 0 | 0 | 0 | -95.4 | -11.8 | 0 | 0 | 0 | 111.3 | K5 | D3-K5 PolarHBondContact O-N 3.19Š| |||
| 4 | N | 35 | Very low | 41.6 | Very low | 154 Ų | 154 | 126 Ų | 126 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | 0 | 72.4 | 0 | -96.3 | -8.4 | 0 | 0 | 0 | 111.7 | |||||
| 5 | K | 35.2 | Very low | 42.7 | Very low | 199 Ų | 199 | 121.3 Ų | 121.3 | 87% | 0.865 | 65% | 0.654 | S | S | * | * | trans | -67.2 | 80.7 | 155.8 | -92.9 | -173.5 | -176.8 | 179.7 | 0 | 111.1 | D3 | D3-K5 PolarHBondContact O-N 3.19Š| ||
| 6 | R | 34.5 | Very low | 43.5 | Very low | 217 Ų | 217 | 114.4 Ų | 114.4 | 82% | 0.819 | 62% | 0.617 | S | S | * | * | trans | -65.8 | 0 | 165.5 | -93.1 | -177.8 | -167.5 | -176.3 | -1 | 110.4 | ||||
| 7 | V | 37.9 | Very low | 44.2 | Very low | 119 Ų | 119 | 109.2 Ų | 109.2 | 72% | 0.721 | 59% | 0.589 | S | S | * | * | 0 | 102.1 | 0 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 8 | S | 36.6 | Very low | 45 | Very low | 116 Ų | 116 | 109.4 Ų | 109.4 | 81% | 0.811 | 58% | 0.58 | S | S | * | * | trans | -43.7 | 0 | 157.1 | 73.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 9 | Y | 47.6 | Very low | 45.4 | Very low | 117 Ų | 117 | 109.7 Ų | 109.7 | 46% | 0.459 | 58% | 0.582 | S | S | . | * | 0 | 123.7 | 0 | -74.2 | -78.5 | 0 | 0 | 0 | 110.5 | N13 L17 | Y9-N13 HydrophobicContact CD1-CB 3.62Å; Y9-N13 HydrophobicContact CG-CB 4.03Å; Y9-L17 HydrophobicContact CD1-CD1 3.58Å; Y9-L17 HydrophobicContact CE1-CD1 3.4Å; Y9-L17 HydrophobicContact CE1-CD2 4.47Å; Y9-L17 HydrophobicContact CE1-CG 4.39Å; Y9-L17 HydrophobicContact CG-CD1 4.42Å | |||
| 10 | S | 49.9 | Very low | 45.7 | Very low | 63 Ų | 63 | 111.8 Ų | 111.8 | 44% | 0.441 | 59% | 0.588 | S | S | . | * | trans | -39.9 | 0 | 164.1 | 157.5 | 0 | 0 | 0 | 0 | 111.7 | M12 N13 A14 | S10-M12 PolarHBondContact O-N 3.22Å; S10-M12 PolarHBondContact OG-N 3.35Å; S10-N13 PolarHBondContact O-N 3.34Å; S10-A14 PolarHBondContact O-N 3.43Å | ||
| 11 | P | 51.2 | Low | 45.4 | Very low | 111 Ų | 111 | 115.3 Ų | 115.3 | 72% | 0.721 | 60% | 0.598 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -5.3 | 7.3 | 0 | 0 | 0 | 111.8 | A14 | P11-A14 WeakPolarHBondContact O-CB 3.42Å; P11-A14 PolarHBondContact O-N 3.32Å | |
| 12 | M | 52.5 | Low | 46.1 | Very low | 81 Ų | 81 | 109.9 Ų | 109.9 | 40% | 0.399 | 57% | 0.57 | S | S | . | * | H | α-helix | 0 | -29.5 | 0 | -119.6 | -178.4 | -166.8 | 0 | 0 | 111.2 | S10 A14 P131 D134 | S10-M12 PolarHBondContact O-N 3.22Å; S10-M12 PolarHBondContact OG-N 3.35Å; M12-A14 VanDerWaalsContact C-N 3.35Å; M12-P131 HydrophobicContact CE-CB 3.57Å; M12-P131 HydrophobicContact CE-CG 4.48Å; M12-P131 HydrophobicContact CG-CB 4.12Å; M12-P131 HydrophobicContact CG-CG 4.17Å; M12-D134 WeakPolarHBondContact CE-OD2 2.76Å | |
| 13 | N | 55.4 | Low | 46.6 | Very low | 48 Ų | 48 | 111.3 Ų | 111.3 | 26% | 0.257 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -86.5 | 0 | 178.4 | -78.7 | -19.7 | 0 | 0 | 0 | 111.4 | Y9 S10 E15 L16 L17 | Y9-N13 HydrophobicContact CD1-CB 3.62Å; Y9-N13 HydrophobicContact CG-CB 4.03Å; S10-N13 PolarHBondContact O-N 3.34Å; N13-E15 PolarHBondContact O-N 2.42Å; N13-L16 PolarHBondContact O-N 3.33Å; N13-L16 VanDerWaalsContact O-N 3.17Å; N13-L17 HydrophobicContact CB-CD1 3.86Å; N13-L17 WeakPolarHBondContact O-CA 2.81Å; N13-L17 WeakPolarHBondContact O-CB 3.15Å; N13-L17 PolarHBondContact O-N 3.4Å |
| 14 | A | 53 | Low | 47.2 | Very low | 37 Ų | 37 | 110.5 Ų | 110.5 | 31% | 0.306 | 56% | 0.561 | S | S | . | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | S10 P11 M12 L16 | S10-A14 PolarHBondContact O-N 3.43Å; P11-A14 WeakPolarHBondContact O-CB 3.42Å; P11-A14 PolarHBondContact O-N 3.32Å; M12-A14 VanDerWaalsContact C-N 3.35Å; A14-L16 VanDerWaalsContact C-N 3.32Å | |
| 15 | E | 57.4 | Low | 47.9 | Very low | 55 Ų | 55 | 111.6 Ų | 111.6 | 26% | 0.257 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | 0 | -6.6 | 0 | -74.2 | -180 | 177.1 | 0 | 0 | 111.1 | N13 M112 P131 | N13-E15 PolarHBondContact O-N 2.42Å; E15-M112 VanDerWaalsContact O-CG 3.24Å; E15-M112 WeakPolarHBondContact O-CG 3.17Å; E15-P131 WeakPolarHBondContact OE2-CD 2.89Å; E15-P131 WeakPolarHBondContact OE2-CG 3.13Å | |
| 16 | L | 56.8 | Low | 48.4 | Very low | 12 Ų | 12 | 107.7 Ų | 107.7 | 6% | 0.063 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 0 | 177.5 | -80 | 156.9 | 0 | 0 | 0 | 109.9 | N13 A14 I132 I137 W140 P150 | N13-L16 PolarHBondContact O-N 3.33Å; N13-L16 VanDerWaalsContact O-N 3.17Å; A14-L16 VanDerWaalsContact C-N 3.32Å; L16-I132 HydrophobicContact CD1-CB 4.33Å; L16-I132 HydrophobicContact CD1-CG2 4.01Å; L16-I132 HydrophobicContact CD2-CG2 4.27Å; L16-I132 HydrophobicContact CG-CB 4.49Å; L16-I132 HydrophobicContact CG-CG2 3.88Å; L16-I137 HydrophobicContact CD1-CD1 3.75Å; L16-W140 HydrophobicContact CB-CZ3 4.43Å; L16-W140 HydrophobicContact CD1-CZ3 4.03Å; L16-P150 HydrophobicContact CB-CG 4.39Å |
| 17 | L | 55.4 | Low | 48.9 | Very low | 25 Ų | 25 | 103 Ų | 103 | 13% | 0.131 | 53% | 0.534 | C | S | . | . | S | Bend | 0 | 138.1 | 0 | -80.1 | 144.8 | 0 | 0 | 0 | 108.9 | Y9 N13 W140 | Y9-L17 HydrophobicContact CD1-CD1 3.58Å; Y9-L17 HydrophobicContact CE1-CD1 3.4Å; Y9-L17 HydrophobicContact CE1-CD2 4.47Å; Y9-L17 HydrophobicContact CE1-CG 4.39Å; Y9-L17 HydrophobicContact CG-CD1 4.42Å; N13-L17 HydrophobicContact CB-CD1 3.86Å; N13-L17 WeakPolarHBondContact O-CA 2.81Å; N13-L17 WeakPolarHBondContact O-CB 3.15Å; N13-L17 PolarHBondContact O-N 3.4Å; L17-W140 HydrophobicContact CD1-CH2 3.79Å; L17-W140 HydrophobicContact CD1-CZ2 4.17Å; L17-W140 HydrophobicContact CG-CH2 4.2Å | |
| 18 | R | 57.9 | Low | 49.4 | Very low | 114 Ų | 114 | 103.8 Ų | 103.8 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | trans | -58.9 | 0 | 176.9 | -168.2 | 178.7 | 175.4 | -174.4 | 0.8 | 110.9 | E20 | R18-E20 PolarHBondContact O-N 2.93Š| ||
| 19 | D | 52.4 | Low | 49.9 | Very low | 115 Ų | 115 | 100.6 Ų | 100.6 | 62% | 0.615 | 51% | 0.507 | S | S | * | . | 0 | 86.6 | 0 | -99.2 | -11.1 | 0 | 0 | 0 | 110.8 | K21 | D19-K21 PolarHBondContact O-N 3.02Š| |||
| 20 | E | 51.5 | Low | 49.9 | Very low | 150 Ų | 150 | 99.7 Ų | 99.7 | 70% | 0.701 | 52% | 0.518 | S | S | * | . | trans | -52.9 | 29.8 | -179.8 | -83.6 | -171.9 | 172.5 | 0 | 0 | 110.8 | R18 E22 | R18-E20 PolarHBondContact O-N 2.93Å; E20-E22 PolarHBondContact O-N 3.24Å | ||
| 21 | K | 38.7 | Very low | 49.9 | Very low | 187 Ų | 187 | 99.3 Ų | 99.3 | 81% | 0.813 | 52% | 0.516 | S | S | * | . | trans | -103.3 | 0 | -178.2 | -89.8 | -169.4 | -177.9 | -179.5 | 0 | 110 | D19 | D19-K21 PolarHBondContact O-N 3.02Š| ||
| 22 | E | 42.7 | Very low | 50.3 | Low | 146 Ų | 146 | 104.2 Ų | 104.2 | 68% | 0.682 | 53% | 0.526 | S | S | * | . | 0 | 96 | 0 | -102.8 | -170.4 | 175.7 | 0 | 0 | 109.1 | E20 L24 | E20-E22 PolarHBondContact O-N 3.24Å; E22-L24 VanDerWaalsContact C-N 3.26Å | |||
| 23 | P | 45.7 | Very low | 51.1 | Low | 104 Ų | 104 | 104.1 Ų | 104.1 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | trans | -73.6 | 0 | 175.1 | 8.1 | -0.6 | 0 | 0 | 0 | 111.8 | R25 | P23-R25 PolarHBondContact O-N 2.79Š| ||
| 24 | L | 44.9 | Very low | 52.4 | Low | 150 Ų | 150 | 103.8 Ų | 103.8 | 79% | 0.785 | 52% | 0.524 | S | S | * | . | G | 310 helix | 0 | 0 | 0 | -89.1 | 142.4 | 0 | 0 | 0 | 110.3 | E22 | E22-L24 VanDerWaalsContact C-N 3.26Š| |
| 25 | R | 48.7 | Very low | 54 | Low | 177 Ų | 177 | 102.4 Ų | 102.4 | 67% | 0.668 | 51% | 0.512 | S | S | * | . | G | 310 helix | 0 | 1.5 | 0 | -97.1 | -172 | -179.5 | 177 | -0.6 | 110.2 | P23 T27 | P23-R25 PolarHBondContact O-N 2.79Å; R25-T27 VanDerWaalsContact C-N 3.33Å; R25-T27 PolarHBondContact O-N 3.44Å | |
| 26 | E | 45.6 | Very low | 55.5 | Low | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -84.3 | 0 | -171.5 | -103.1 | 177.9 | 179.7 | 0 | 0 | 110.5 | ||
| 27 | T | 45.4 | Very low | 57.1 | Low | 118 Ų | 118 | 100 Ų | 100 | 72% | 0.724 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 25.3 | 0 | 0 | 0 | 0 | 109.9 | R25 | R25-T27 VanDerWaalsContact C-N 3.33Å; R25-T27 PolarHBondContact O-N 3.44Å | |
| 28 | D | 48.5 | Very low | 58.7 | Low | 135 Ų | 135 | 100.8 Ų | 100.8 | 72% | 0.722 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -100.9 | -8 | 0 | 0 | 0 | 110.9 | |||
| 29 | L | 47.2 | Very low | 60 | Low | 49 Ų | 49 | 98.9 Ų | 98.9 | 26% | 0.257 | 50% | 0.502 | S | S | . | . | S | Bend | 0 | 0 | 0 | -84.8 | 140.7 | 0 | 0 | 0 | 109.7 | S31 M34 M78 | L29-S31 PolarHBondContact O-N 3.38Å; L29-M34 HydrophobicContact CD2-CE 3.6Å; L29-M34 HydrophobicContact CD2-SD 3.1Å; L29-M34 WeakPolarHBondContact CD2-SD 3.41Å; L29-M34 HydrophobicContact CG-CE 3.85Å; L29-M34 HydrophobicContact CG-SD 4.06Å; L29-M78 HydrophobicContact CD2-SD 4.03Å | |
| 30 | S | 46.5 | Very low | 61.4 | Low | 98 Ų | 98 | 102.3 Ų | 102.3 | 69% | 0.685 | 51% | 0.514 | S | S | * | . | 0 | 0 | 0 | 80.1 | 0 | 0 | 0 | 0 | 110.4 | K32 | S30-K32 PolarHBondContact O-N 3.08Å; S30-K32 VanDerWaalsContact O-N 3.16Å | |||
| 31 | S | 51.3 | Low | 63 | Low | 55 Ų | 55 | 105.1 Ų | 105.1 | 39% | 0.385 | 52% | 0.518 | S | S | . | . | S | Bend | 0 | 87.1 | 0 | 76.5 | 0 | 0 | 0 | 0 | 110.7 | L29 D33 M34 | L29-S31 PolarHBondContact O-N 3.38Å; S31-D33 WeakPolarHBondContact O-CA 2.97Å; S31-D33 PolarHBondContact O-N 3.46Å; S31-M34 PolarHBondContact O-N 3.33Å | |
| 32 | K | 58.4 | Low | 65 | Low | 214 Ų | 214 | 99.4 Ų | 99.4 | 93% | 0.93 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -6.6 | 0 | 166.2 | -79.4 | -173 | -178.4 | -177.4 | 0 | 111.7 | S30 | S30-K32 PolarHBondContact O-N 3.08Å; S30-K32 VanDerWaalsContact O-N 3.16Å |
| 33 | D | 70.8 | Confident | 67.1 | Low | 79 Ų | 79 | 92.9 Ų | 92.9 | 42% | 0.422 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | -3.5 | 0 | -71.5 | -24.1 | 0 | 0 | 0 | 110.8 | S31 I48 K49 | S31-D33 WeakPolarHBondContact O-CA 2.97Å; S31-D33 PolarHBondContact O-N 3.46Å; D33-I48 HydrophobicContact CB-CG2 4.32Å; D33-I48 CarbonylContact O-C 3.15Å; D33-K49 HydrophobicContact CB-CB 4.46Å; D33-K49 WeakPolarHBondContact O-CA 3.23Å; D33-K49 WeakPolarHBondContact O-CB 3.08Å; D33-K49 PolarHBondContact O-N 2.1Å | |
| 34 | M | 80.8 | Confident | 69.2 | Low | 42 Ų | 42 | 89 Ų | 89 | 21% | 0.207 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 132.1 | 180 | -90.1 | -153.6 | -150.9 | 0 | 0 | 110.3 | L29 S31 A47 I48 M78 | L29-M34 HydrophobicContact CD2-CE 3.6Å; L29-M34 HydrophobicContact CD2-SD 3.1Å; L29-M34 WeakPolarHBondContact CD2-SD 3.41Å; L29-M34 HydrophobicContact CG-CE 3.85Å; L29-M34 HydrophobicContact CG-SD 4.06Å; S31-M34 PolarHBondContact O-N 3.33Å; M34-A47 CarbonylContact C-O 3.33Å; M34-A47 WeakPolarHBondContact CA-O 3.41Å; M34-I48 HydrophobicContact CG-CG1 4.3Å; M34-M78 HydrophobicContact CB-SD 4.22Å; M34-M78 WeakPolarHBondContact O-CB 3Å; M34-M78 HydrophobicContact SD-SD 4.14Å |
| 35 | V | 87.5 | Confident | 71.3 | Confident | 7 Ų | 7 | 82.3 Ų | 82.3 | 4% | 0.042 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 159 | -173.2 | -66.9 | 0 | 0 | 0 | 0 | 107.9 | V37 A46 A47 K49 V59 V75 Q76 | V35-V37 HydrophobicContact CG2-CG1 4.45Å; V35-A46 CarbonylContact O-C 3.33Å; V35-A47 HydrophobicContact CG2-CB 4.15Å; V35-A47 WeakPolarHBondContact CG2-O 3.05Å; V35-A47 PolarHBondContact N-O 3.01Å; V35-A47 PolarHBondContact O-N 3.02Å; V35-A47 VanDerWaalsContact O-O 3.07Å; V35-K49 HydrophobicContact CG1-CB 4.46Å; V35-K49 HydrophobicContact CG2-CB 4.47Å; V35-V59 HydrophobicContact CG2-CG1 4Å; V35-V75 HydrophobicContact CB-CG1 3.36Å; V35-V75 HydrophobicContact CG1-CG1 3.67Å; V35-V75 HydrophobicContact CG2-CG1 3.41Å; V35-V75 VanDerWaalsContact CG2-CG1 3.41Å; V35-Q76 CarbonylContact C-O 2.64Å; V35-Q76 VanDerWaalsContact CA-O 3.26Å; V35-Q76 WeakPolarHBondContact CA-O 2.6Å; V35-Q76 WeakPolarHBondContact CB-O 3.05Å |
| 36 | W | 89.5 | Confident | 73.1 | Confident | 18 Ų | 18 | 75 Ų | 75 | 7% | 0.068 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 137.3 | 172.9 | -68.2 | 108.5 | 0 | 0 | 0 | 110.9 | F44 A46 Q76 M78 A98 N102 | W36-F44 HydrophobicContact CB-CD1 4.48Å; W36-F44 HydrophobicContact CE3-CB 4.23Å; W36-A46 HydrophobicContact CE3-CB 4.39Å; W36-A46 HydrophobicContact CH2-CB 4.39Å; W36-A46 HydrophobicContact CZ3-CB 3.99Å; W36-Q76 WeakPolarHBondContact CA-O 3.48Å; W36-Q76 HydrophobicContact CB-CB 3.88Å; W36-Q76 PolarHBondContact N-O 3.42Å; W36-Q76 PolarHBondContact O-N 3.21Å; W36-M78 HydrophobicContact CH2-CE 3.55Å; W36-M78 HydrophobicContact CZ2-CE 3.13Å; W36-M78 HydrophobicContact CZ2-CG 3.93Å; W36-M78 HydrophobicContact CZ2-SD 4.14Å; W36-M78 VanDerWaalsContact NE1-CG 3.27Å; W36-A98 HydrophobicContact CB-CB 3.43Å; W36-A98 VanDerWaalsContact CB-CB 3.43Å; W36-A98 HydrophobicContact CD2-CB 3.88Å; W36-A98 HydrophobicContact CG-CB 3.36Å; W36-N102 HydrophobicContact CH2-CB 4.23Å; W36-N102 HydrophobicContact CZ2-CB 4.03Å |
| 37 | V | 89.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 146 | 176.6 | -71.8 | 0 | 0 | 0 | 0 | 108.6 | V35 F44 V45 A47 V59 L61 F70 V75 | V35-V37 HydrophobicContact CG2-CG1 4.45Å; V37-F44 CarbonylContact O-C 3.11Å; V37-F44 VanDerWaalsContact O-CA 3.25Å; V37-F44 WeakPolarHBondContact O-CA 3.41Å; V37-V45 HydrophobicContact CG2-CG2 3.55Å; V37-V45 WeakPolarHBondContact CG2-O 3.26Å; V37-V45 PolarHBondContact N-O 3.18Å; V37-V45 PolarHBondContact O-N 3.03Å; V37-A47 HydrophobicContact CB-CB 4.45Å; V37-A47 HydrophobicContact CG1-CB 3.9Å; V37-A47 HydrophobicContact CG2-CB 3.67Å; V37-V59 HydrophobicContact CG1-CB 4.27Å; V37-V59 HydrophobicContact CG1-CG1 4.24Å; V37-V59 HydrophobicContact CG1-CG2 3.71Å; V37-L61 HydrophobicContact CG2-CD2 3.44Å; V37-L61 VanDerWaalsContact CG2-CD2 3.44Å; V37-F70 HydrophobicContact CB-CD2 4.12Å; V37-F70 HydrophobicContact CB-CE2 3.9Å; V37-F70 HydrophobicContact CB-CZ 4.25Å; V37-F70 HydrophobicContact CG1-CD2 3.88Å; V37-F70 HydrophobicContact CG1-CE2 4.12Å; V37-F70 HydrophobicContact CG1-CG 4.46Å; V37-F70 HydrophobicContact CG2-CE2 4.29Å; V37-V75 HydrophobicContact CG1-CG2 4.4Å |
| 38 | P | 88.5 | Confident | 77.1 | Confident | 41 Ų | 41 | 66.6 Ų | 66.6 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 139.4 | -178.9 | -15.6 | 20.7 | 0 | 0 | 0 | 111.7 | A43 F44 Y74 | P38-A43 CarbonylContact C-O 2.99Å; P38-A43 WeakPolarHBondContact CA-O 3.12Å; P38-F44 HydrophobicContact CB-CE1 4.46Å; P38-F44 HydrophobicContact CG-CE1 4.3Å; P38-Y74 WeakPolarHBondContact CD-O 2.63Å; P38-Y74 HydrophobicContact CG-CD1 4.03Å; P38-Y74 HydrophobicContact CG-CG 4.4Å |
| 39 | H | 86.1 | Confident | 78.8 | Confident | 73 Ų | 73 | 62.9 Ų | 62.9 | 34% | 0.338 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 142.4 | 177.4 | -168.2 | -82.7 | 0 | 0 | 0 | 110.2 | R41 E42 A43 V45 | H39-R41 PolarHBondContact ND1-N 3.48Å; H39-E42 PolarHBondContact ND1-N 2.55Å; H39-E42 VanDerWaalsContact ND1-N 3.14Å; H39-A43 PolarHBondContact N-O 2.6Å; H39-A43 CarbonylContact O-C 3.1Å; H39-A43 VanDerWaalsContact O-C 3.32Å; H39-A43 WeakPolarHBondContact O-CA 3.25Å; H39-A43 PolarHBondContact O-N 3.36Å; H39-A43 VanDerWaalsContact O-O 3.09Å; H39-V45 HydrophobicContact CB-CB 4.48Å; H39-V45 HydrophobicContact CB-CG1 3.8Å; H39-V45 HydrophobicContact CB-CG2 4Å |
| 40 | E | 82.8 | Confident | 80.6 | Confident | 187 Ų | 187 | 64.1 Ų | 64.1 | 87% | 0.874 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -34.1 | -173 | -79.2 | -174.3 | 176.7 | 0 | 0 | 110.8 | ||
| 41 | R | 83.2 | Confident | 82.3 | Confident | 210 Ų | 210 | 65.3 Ų | 65.3 | 79% | 0.792 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -41 | -175.5 | -74.5 | -174.9 | -177.8 | -177.9 | -1.4 | 111.2 | H39 P692 | H39-R41 PolarHBondContact ND1-N 3.48Å; R41-P692 WeakPolarHBondContact O-CD 2.22Å |
| 42 | E | 81.7 | Confident | 83.6 | Confident | 66 Ų | 66 | 67.2 Ų | 67.2 | 31% | 0.308 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 0 | -174.5 | -68.8 | -160.3 | 172.2 | 0 | 0 | 110.9 | H39 F44 V45 | H39-E42 PolarHBondContact ND1-N 2.55Å; H39-E42 VanDerWaalsContact ND1-N 3.14Å; E42-F44 PolarHBondContact O-N 2.98Å; E42-V45 HydrophobicContact CB-CG1 4.05Å; E42-V45 WeakPolarHBondContact OE2-CG1 3.15Å |
| 43 | A | 86.2 | Confident | 84.5 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | P38 H39 L101 P692 L695 | P38-A43 CarbonylContact C-O 2.99Å; P38-A43 WeakPolarHBondContact CA-O 3.12Å; H39-A43 PolarHBondContact N-O 2.6Å; H39-A43 CarbonylContact O-C 3.1Å; H39-A43 VanDerWaalsContact O-C 3.32Å; H39-A43 WeakPolarHBondContact O-CA 3.25Å; H39-A43 PolarHBondContact O-N 3.36Å; H39-A43 VanDerWaalsContact O-O 3.09Å; A43-L101 HydrophobicContact CB-CD2 3.71Å; A43-P692 HydrophobicContact CB-CG 4.32Å; A43-L695 HydrophobicContact CB-CD2 4.29Å | |
| 44 | F | 90 | Very high | 84.9 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 9% | 0.092 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 144.2 | 0 | -72.7 | -85.3 | 0 | 0 | 0 | 109 | W36 V37 P38 E42 E97 A98 L101 L695 | W36-F44 HydrophobicContact CB-CD1 4.48Å; W36-F44 HydrophobicContact CE3-CB 4.23Å; V37-F44 CarbonylContact O-C 3.11Å; V37-F44 VanDerWaalsContact O-CA 3.25Å; V37-F44 WeakPolarHBondContact O-CA 3.41Å; P38-F44 HydrophobicContact CB-CE1 4.46Å; P38-F44 HydrophobicContact CG-CE1 4.3Å; E42-F44 PolarHBondContact O-N 2.98Å; F44-E97 HydrophobicContact CE2-CB 4.29Å; F44-E97 HydrophobicContact CZ-CB 4.39Å; F44-A98 HydrophobicContact CB-CB 3.93Å; F44-A98 HydrophobicContact CD1-CB 3.88Å; F44-A98 HydrophobicContact CD2-CB 4.14Å; F44-A98 HydrophobicContact CE1-CB 4.42Å; F44-A98 HydrophobicContact CG-CB 3.73Å; F44-L101 HydrophobicContact CD2-CD2 4.2Å; F44-L695 HydrophobicContact CD2-CD2 4.34Å; F44-L695 HydrophobicContact CE2-CD1 4.16Å; F44-L695 HydrophobicContact CE2-CD2 3.52Å; F44-L695 HydrophobicContact CZ-CD2 4.35Å | |
| 45 | V | 88.7 | Confident | 84.7 | Confident | 10 Ų | 10 | 65.5 Ų | 65.5 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 156.7 | 178 | -72.9 | 0 | 0 | 0 | 0 | 108.2 | V37 H39 E42 L61 | V37-V45 HydrophobicContact CG2-CG2 3.55Å; V37-V45 WeakPolarHBondContact CG2-O 3.26Å; V37-V45 PolarHBondContact N-O 3.18Å; V37-V45 PolarHBondContact O-N 3.03Å; H39-V45 HydrophobicContact CB-CB 4.48Å; H39-V45 HydrophobicContact CB-CG1 3.8Å; H39-V45 HydrophobicContact CB-CG2 4Å; E42-V45 HydrophobicContact CB-CG1 4.05Å; E42-V45 WeakPolarHBondContact OE2-CG1 3.15Å; V45-L61 HydrophobicContact CB-CD2 4.44Å; V45-L61 HydrophobicContact CG2-CD2 3.27Å |
| 46 | A | 88 | Confident | 84.5 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 0 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V35 W36 V62 M78 | V35-A46 CarbonylContact O-C 3.33Å; W36-A46 HydrophobicContact CE3-CB 4.39Å; W36-A46 HydrophobicContact CH2-CB 4.39Å; W36-A46 HydrophobicContact CZ3-CB 3.99Å; A46-V62 HydrophobicContact CB-CB 4.23Å; A46-V62 HydrophobicContact CB-CG2 3.92Å; A46-V62 WeakPolarHBondContact O-CB 3.49Å; A46-V62 WeakPolarHBondContact O-CG2 3.11Å; A46-V62 PolarHBondContact O-N 2.61Å; A46-M78 HydrophobicContact CB-CE 4.38Å |
| 47 | A | 87.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 148.4 | 0 | 0 | 0 | 0 | 0 | 0 | 109.4 | M34 V35 V37 V59 Q60 L61 | M34-A47 CarbonylContact C-O 3.33Å; M34-A47 WeakPolarHBondContact CA-O 3.41Å; V35-A47 HydrophobicContact CG2-CB 4.15Å; V35-A47 WeakPolarHBondContact CG2-O 3.05Å; V35-A47 PolarHBondContact N-O 3.01Å; V35-A47 PolarHBondContact O-N 3.02Å; V35-A47 VanDerWaalsContact O-O 3.07Å; V37-A47 HydrophobicContact CB-CB 4.45Å; V37-A47 HydrophobicContact CG1-CB 3.9Å; V37-A47 HydrophobicContact CG2-CB 3.67Å; A47-V59 HydrophobicContact CB-CB 3.75Å; A47-V59 HydrophobicContact CB-CG2 4.1Å; A47-Q60 CarbonylContact C-O 2.98Å; A47-Q60 WeakPolarHBondContact CA-O 3.45Å; A47-Q60 WeakPolarHBondContact CB-O 3.14Å; A47-L61 HydrophobicContact CB-CD2 4.35Å | |
| 48 | I | 86.6 | Confident | 84.1 | Confident | 60 Ų | 60 | 68.8 Ų | 68.8 | 31% | 0.308 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 124 | 176.8 | -62.4 | 170.1 | 0 | 0 | 0 | 109.5 | D33 M34 L50 V59 Q60 V62 | D33-I48 HydrophobicContact CB-CG2 4.32Å; D33-I48 CarbonylContact O-C 3.15Å; M34-I48 HydrophobicContact CG-CG1 4.3Å; I48-L50 PolarHBondContact O-N 3.27Å; I48-V59 CarbonylContact O-C 3.54Å; I48-V59 WeakPolarHBondContact O-CA 3.09Å; I48-Q60 PolarHBondContact N-O 2.7Å; I48-Q60 PolarHBondContact O-N 3.48Å; I48-V62 HydrophobicContact CD1-CG2 4.35Å; I48-V62 HydrophobicContact CG1-CG2 3.88Å |
| 49 | K | 84.7 | Confident | 84.1 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 25% | 0.248 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 0 | 180 | -167.7 | 176.4 | 173 | -178.2 | 0 | 109.8 | D33 V35 E52 C57 | D33-K49 HydrophobicContact CB-CB 4.46Å; D33-K49 WeakPolarHBondContact O-CA 3.23Å; D33-K49 WeakPolarHBondContact O-CB 3.08Å; D33-K49 PolarHBondContact O-N 2.1Å; V35-K49 HydrophobicContact CG1-CB 4.46Å; V35-K49 HydrophobicContact CG2-CB 4.47Å; K49-E52 VanDerWaalsContact CE-CG 3.48Å; K49-E52 IonicContact NZ-OE1 3.05Å; K49-E52 PolarHBondContact NZ-OE1 3.31Å; K49-E52 IonicContact NZ-OE2 2.34Å; K49-E52 PolarHBondContact NZ-OE2 3.49Å; K49-C57 WeakPolarHBondContact CE-SG 3.4Å; K49-C57 VanDerWaalsContact CG-SG 3.54Å |
| 50 | L | 84.8 | Confident | 84.2 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 40% | 0.398 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -68.5 | 167 | 0 | 0 | 0 | 110.8 | I48 V58 Q60 K67 | I48-L50 PolarHBondContact O-N 3.27Å; L50-V58 HydrophobicContact CD1-CG1 4.34Å; L50-V58 PolarHBondContact N-O 2.95Å; L50-Q60 HydrophobicContact CD1-CB 3.56Å; L50-Q60 HydrophobicContact CD2-CB 4.4Å; L50-Q60 HydrophobicContact CG-CB 3.94Å; L50-K67 HydrophobicContact CD1-CD 3.71Å; L50-K67 HydrophobicContact CD1-CG 3.63Å | |
| 51 | Q | 82 | Confident | 84.3 | Confident | 122 Ų | 122 | 58.6 Ų | 58.6 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -142.5 | 174.3 | 5.8 | 0 | 0 | 109.4 | V58 | Q51-V58 HydrophobicContact CB-CB 4.33Å; Q51-V58 PolarHBondContact N-O 3.34Å; Q51-V58 PolarHBondContact O-N 3.5Å | |
| 52 | E | 78.8 | Confident | 84.3 | Confident | 95 Ų | 95 | 52.1 Ų | 52.1 | 44% | 0.444 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | -120.7 | 177 | 178.4 | 0 | 0 | 110.4 | K49 K72 | K49-E52 VanDerWaalsContact CE-CG 3.48Å; K49-E52 IonicContact NZ-OE1 3.05Å; K49-E52 PolarHBondContact NZ-OE1 3.31Å; K49-E52 IonicContact NZ-OE2 2.34Å; K49-E52 PolarHBondContact NZ-OE2 3.49Å; E52-K72 WeakPolarHBondContact OE1-CE 3.44Å; E52-K72 IonicContact OE1-NZ 3.72Å | |
| 53 | Q | 77.8 | Confident | 84.1 | Confident | 117 Ų | 117 | 56.1 Ų | 56.1 | 55% | 0.547 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 90.1 | 0 | -70.7 | -173.9 | 5.6 | 0 | 0 | 110.5 | E55 N56 | Q53-E55 PolarHBondContact O-N 3.08Å; Q53-E55 VanDerWaalsContact O-N 3.08Å; Q53-N56 CarbonylContact C-O 3.32Å; Q53-N56 PolarHBondContact N-O 3.33Å; Q53-N56 PolarHBondContact O-N 3.03Å | |
| 54 | G | 77.5 | Confident | 83.8 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 75% | 0.753 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 0 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 55 | E | 78.4 | Confident | 83.3 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -74.4 | -161 | 168.7 | 0 | 0 | 110.3 | Q53 P71 K72 R1421 | Q53-E55 PolarHBondContact O-N 3.08Å; Q53-E55 VanDerWaalsContact O-N 3.08Å; E55-P71 WeakPolarHBondContact O-CA 3.32Å; E55-K72 PolarHBondContact O-N 2.67Å; E55-R1421 IonicContact OE1-NH1 3.74Å; E55-R1421 IonicContact OE2-NH1 3.81Å | |
| 56 | N | 82.2 | Confident | 83.1 | Confident | 73 Ų | 73 | 66.4 Ų | 66.4 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | 0 | 144.9 | 0 | -67.2 | -30 | 0 | 0 | 0 | 109.8 | Q53 T69 F70 | Q53-N56 CarbonylContact C-O 3.32Å; Q53-N56 PolarHBondContact N-O 3.33Å; Q53-N56 PolarHBondContact O-N 3.03Å; N56-T69 HydrophobicContact CB-CG2 3.71Å; N56-F70 CarbonylContact C-O 3.31Å; N56-F70 WeakPolarHBondContact CA-O 3.17Å | |
| 57 | C | 83.6 | Confident | 83 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.007 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 0 | -179.1 | -152.6 | 0 | 0 | 0 | 0 | 109 | K49 F70 V75 | K49-C57 WeakPolarHBondContact CE-SG 3.4Å; K49-C57 VanDerWaalsContact CG-SG 3.54Å; C57-F70 PolarHBondContact N-O 3.08Å; C57-F70 PolarHBondContact O-N 3.19Å; C57-V75 HydrophobicContact CB-CG2 3.81Å |
| 58 | V | 86.9 | Confident | 82.9 | Confident | 21 Ų | 21 | 73.5 Ų | 73.5 | 13% | 0.127 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 122.9 | 0 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | L50 Q51 T69 | L50-V58 HydrophobicContact CD1-CG1 4.34Å; L50-V58 PolarHBondContact N-O 2.95Å; Q51-V58 HydrophobicContact CB-CB 4.33Å; Q51-V58 PolarHBondContact N-O 3.34Å; Q51-V58 PolarHBondContact O-N 3.5Å; V58-T69 HydrophobicContact CG2-CG2 4.31Å | |
| 59 | V | 87.8 | Confident | 83 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 146.8 | -174 | -67.4 | 0 | 0 | 0 | 0 | 108.1 | V35 V37 A47 I48 K67 C68 F70 V75 | V35-V59 HydrophobicContact CG2-CG1 4Å; V37-V59 HydrophobicContact CG1-CB 4.27Å; V37-V59 HydrophobicContact CG1-CG1 4.24Å; V37-V59 HydrophobicContact CG1-CG2 3.71Å; A47-V59 HydrophobicContact CB-CB 3.75Å; A47-V59 HydrophobicContact CB-CG2 4.1Å; I48-V59 CarbonylContact O-C 3.54Å; I48-V59 WeakPolarHBondContact O-CA 3.09Å; V59-K67 CarbonylContact O-C 3.54Å; V59-K67 WeakPolarHBondContact O-CA 3.37Å; V59-C68 WeakPolarHBondContact CG2-O 3.17Å; V59-C68 PolarHBondContact N-O 3.5Å; V59-C68 PolarHBondContact O-N 2.53Å; V59-C68 VanDerWaalsContact O-O 3.12Å; V59-F70 HydrophobicContact CG2-CD2 3.35Å; V59-F70 HydrophobicContact CG2-CE2 3.71Å; V59-V75 HydrophobicContact CG1-CG2 4.39Å |
| 60 | Q | 88.2 | Confident | 83 | Confident | 65 Ų | 65 | 74.1 Ų | 74.1 | 30% | 0.304 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.7 | 174.4 | -175.6 | 176.7 | 0.8 | 0 | 0 | 110.2 | A47 I48 L50 V62 K67 | A47-Q60 CarbonylContact C-O 2.98Å; A47-Q60 WeakPolarHBondContact CA-O 3.45Å; A47-Q60 WeakPolarHBondContact CB-O 3.14Å; I48-Q60 PolarHBondContact N-O 2.7Å; I48-Q60 PolarHBondContact O-N 3.48Å; L50-Q60 HydrophobicContact CD1-CB 3.56Å; L50-Q60 HydrophobicContact CD2-CB 4.4Å; L50-Q60 HydrophobicContact CG-CB 3.94Å; Q60-V62 PolarHBondContact O-N 3.45Å; Q60-K67 HydrophobicContact CB-CG 4.5Å |
| 61 | L | 86.3 | Confident | 82.9 | Confident | 22 Ų | 22 | 72.9 Ų | 72.9 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 132 | -179.1 | -67 | 169 | 0 | 0 | 0 | 109.8 | V37 V45 A47 E63 S64 G65 K66 | V37-L61 HydrophobicContact CG2-CD2 3.44Å; V37-L61 VanDerWaalsContact CG2-CD2 3.44Å; V45-L61 HydrophobicContact CB-CD2 4.44Å; V45-L61 HydrophobicContact CG2-CD2 3.27Å; A47-L61 HydrophobicContact CB-CD2 4.35Å; L61-E63 VanDerWaalsContact C-N 3.3Å; L61-E63 PolarHBondContact O-N 3.16Å; L61-S64 WeakPolarHBondContact CB-OG 3.41Å; L61-S64 WeakPolarHBondContact CD1-OG 3.08Å; L61-G65 WeakPolarHBondContact O-CA 3.19Å; L61-G65 PolarHBondContact O-N 2.79Å; L61-K66 HydrophobicContact CD1-CB 4.12Å; L61-K66 PolarHBondContact N-O 3.21Å |
| 62 | V | 83.2 | Confident | 82.8 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -31.4 | -174 | 174.5 | 0 | 0 | 0 | 0 | 109.2 | A46 I48 Q60 | A46-V62 HydrophobicContact CB-CB 4.23Å; A46-V62 HydrophobicContact CB-CG2 3.92Å; A46-V62 WeakPolarHBondContact O-CB 3.49Å; A46-V62 WeakPolarHBondContact O-CG2 3.11Å; A46-V62 PolarHBondContact O-N 2.61Å; I48-V62 HydrophobicContact CD1-CG2 4.35Å; I48-V62 HydrophobicContact CG1-CG2 3.88Å; Q60-V62 PolarHBondContact O-N 3.45Å |
| 63 | E | 77.3 | Confident | 82.6 | Confident | 149 Ų | 149 | 72 Ų | 72 | 70% | 0.696 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -37.7 | -174.1 | -93.4 | 178.1 | -179.2 | 0 | 0 | 110.7 | L61 | L61-E63 VanDerWaalsContact C-N 3.3Å; L61-E63 PolarHBondContact O-N 3.16Å |
| 64 | S | 79.3 | Confident | 82.8 | Confident | 79 Ų | 79 | 73 Ų | 73 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -15.7 | -173.3 | 71.4 | 0 | 0 | 0 | 0 | 110.3 | L61 K66 | L61-S64 WeakPolarHBondContact CB-OG 3.41Å; L61-S64 WeakPolarHBondContact CD1-OG 3.08Å; S64-K66 PolarHBondContact O-N 3.38Å; S64-K66 VanDerWaalsContact OG-CB 3.25Å; S64-K66 WeakPolarHBondContact OG-CB 3.49Å; S64-K66 PolarHBondContact OG-N 3.08Å; S64-K66 VanDerWaalsContact OG-N 3.1Å |
| 65 | G | 79.4 | Confident | 83.1 | Confident | 37 Ų | 37 | 70.9 Ų | 70.9 | 38% | 0.381 | 37% | 0.365 | S | S | . | . | trans | 71 | -0.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L61 | L61-G65 WeakPolarHBondContact O-CA 3.19Å; L61-G65 PolarHBondContact O-N 2.79Å | ||
| 66 | K | 84.4 | Confident | 83.4 | Confident | 142 Ų | 142 | 67.6 Ų | 67.6 | 62% | 0.617 | 35% | 0.35 | S | S | * | . | trans | -73.4 | 132.8 | -178 | -164.3 | 175.8 | 176 | 178.6 | 0 | 111.3 | L61 S64 | L61-K66 HydrophobicContact CD1-CB 4.12Å; L61-K66 PolarHBondContact N-O 3.21Å; S64-K66 PolarHBondContact O-N 3.38Å; S64-K66 VanDerWaalsContact OG-CB 3.25Å; S64-K66 WeakPolarHBondContact OG-CB 3.49Å; S64-K66 PolarHBondContact OG-N 3.08Å; S64-K66 VanDerWaalsContact OG-N 3.1Å | ||
| 67 | K | 86.7 | Confident | 83.3 | Confident | 146 Ų | 146 | 71.4 Ų | 71.4 | 64% | 0.635 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 118.4 | 176.2 | -74.8 | -174.4 | -176.5 | 179.3 | 0 | 110.5 | L50 V59 Q60 | L50-K67 HydrophobicContact CD1-CD 3.71Å; L50-K67 HydrophobicContact CD1-CG 3.63Å; V59-K67 CarbonylContact O-C 3.54Å; V59-K67 WeakPolarHBondContact O-CA 3.37Å; Q60-K67 HydrophobicContact CB-CG 4.5Å |
| 68 | C | 85.9 | Confident | 83.2 | Confident | 26 Ų | 26 | 73.4 Ų | 73.4 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149 | -179.9 | -52.2 | 0 | 0 | 0 | 0 | 109.7 | V59 F70 | V59-C68 WeakPolarHBondContact CG2-O 3.17Å; V59-C68 PolarHBondContact N-O 3.5Å; V59-C68 PolarHBondContact O-N 2.53Å; V59-C68 VanDerWaalsContact O-O 3.12Å; C68-F70 HydrophobicContact CB-CD2 4.19Å; C68-F70 HydrophobicContact CB-CE2 3.53Å; C68-F70 HydrophobicContact CB-CZ 4.18Å |
| 69 | T | 87.5 | Confident | 82.7 | Confident | 87 Ų | 87 | 73.4 Ų | 73.4 | 53% | 0.534 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 0 | 179.6 | -50.7 | 0 | 0 | 0 | 0 | 109.4 | N56 V58 | N56-T69 HydrophobicContact CB-CG2 3.71Å; V58-T69 HydrophobicContact CG2-CG2 4.31Å |
| 70 | F | 85 | Confident | 81.7 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 19% | 0.189 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 149.3 | 0 | -72.2 | -83.7 | 0 | 0 | 0 | 109.9 | V37 N56 C57 V59 C68 K72 V75 | V37-F70 HydrophobicContact CB-CD2 4.12Å; V37-F70 HydrophobicContact CB-CE2 3.9Å; V37-F70 HydrophobicContact CB-CZ 4.25Å; V37-F70 HydrophobicContact CG1-CD2 3.88Å; V37-F70 HydrophobicContact CG1-CE2 4.12Å; V37-F70 HydrophobicContact CG1-CG 4.46Å; V37-F70 HydrophobicContact CG2-CE2 4.29Å; N56-F70 CarbonylContact C-O 3.31Å; N56-F70 WeakPolarHBondContact CA-O 3.17Å; C57-F70 PolarHBondContact N-O 3.08Å; C57-F70 PolarHBondContact O-N 3.19Å; V59-F70 HydrophobicContact CG2-CD2 3.35Å; V59-F70 HydrophobicContact CG2-CE2 3.71Å; C68-F70 HydrophobicContact CB-CD2 4.19Å; C68-F70 HydrophobicContact CB-CE2 3.53Å; C68-F70 HydrophobicContact CB-CZ 4.18Å; F70-K72 PolarHBondContact O-N 3.39Å; F70-V75 HydrophobicContact CB-CG2 4.02Å | |
| 71 | P | 83.7 | Confident | 80.8 | Confident | 50 Ų | 50 | 74.3 Ų | 74.3 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 136.6 | 171.1 | -21.2 | 29.5 | 0 | 0 | 0 | 111.6 | E55 D73 Y74 | E55-P71 WeakPolarHBondContact O-CA 3.32Å; P71-D73 PolarHBondContact O-N 2.55Å; P71-Y74 HydrophobicContact CB-CD2 3.65Å; P71-Y74 HydrophobicContact CB-CE2 4.21Å; P71-Y74 HydrophobicContact CG-CD2 3.57Å; P71-Y74 HydrophobicContact CG-CE2 3.94Å; P71-Y74 PolarHBondContact O-N 3.41Å |
| 72 | K | 78.4 | Confident | 79.9 | Confident | 112 Ų | 112 | 78.5 Ų | 78.5 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -46.3 | -24.4 | -178.2 | -167 | 177.2 | 175.6 | 179 | 0 | 111.6 | E52 E55 F70 Y74 V75 | E52-K72 WeakPolarHBondContact OE1-CE 3.44Å; E52-K72 IonicContact OE1-NZ 3.72Å; E55-K72 PolarHBondContact O-N 2.67Å; F70-K72 PolarHBondContact O-N 3.39Å; K72-Y74 PolarHBondContact O-N 3.39Å; K72-V75 PolarHBondContact O-N 2.8Å |
| 73 | D | 75.8 | Confident | 79.5 | Confident | 86 Ų | 86 | 76.8 Ų | 76.8 | 46% | 0.46 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -76.3 | -15.5 | -176.2 | -64.7 | -20.8 | 0 | 0 | 0 | 111.1 | P71 | P71-D73 PolarHBondContact O-N 2.55Š|
| 74 | Y | 81.5 | Confident | 79.4 | Confident | 138 Ų | 138 | 72.3 Ų | 72.3 | 54% | 0.541 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -105 | -6.5 | -174.7 | -78.4 | -79.2 | 0 | 0 | 0 | 109.9 | P38 P71 K72 | P38-Y74 WeakPolarHBondContact CD-O 2.63Å; P38-Y74 HydrophobicContact CG-CD1 4.03Å; P38-Y74 HydrophobicContact CG-CG 4.4Å; P71-Y74 HydrophobicContact CB-CD2 3.65Å; P71-Y74 HydrophobicContact CB-CE2 4.21Å; P71-Y74 HydrophobicContact CG-CD2 3.57Å; P71-Y74 HydrophobicContact CG-CE2 3.94Å; P71-Y74 PolarHBondContact O-N 3.41Å; K72-Y74 PolarHBondContact O-N 3.39Å |
| 75 | V | 83.4 | Confident | 79.7 | Confident | 29 Ų | 29 | 71.7 Ų | 71.7 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | trans | -90.1 | 0 | 178.1 | 180 | 0 | 0 | 0 | 0 | 109.2 | V35 V37 C57 V59 F70 K72 | V35-V75 HydrophobicContact CB-CG1 3.36Å; V35-V75 HydrophobicContact CG1-CG1 3.67Å; V35-V75 HydrophobicContact CG2-CG1 3.41Å; V35-V75 VanDerWaalsContact CG2-CG1 3.41Å; V37-V75 HydrophobicContact CG1-CG2 4.4Å; C57-V75 HydrophobicContact CB-CG2 3.81Å; V59-V75 HydrophobicContact CG1-CG2 4.39Å; F70-V75 HydrophobicContact CB-CG2 4.02Å; K72-V75 PolarHBondContact O-N 2.8Å | ||
| 76 | Q | 84.2 | Confident | 79.9 | Confident | 39 Ų | 39 | 71.3 Ų | 71.3 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 139.5 | 0 | -64.6 | 179.1 | 2.3 | 0 | 0 | 109.7 | V35 W36 N96 | V35-Q76 CarbonylContact C-O 2.64Å; V35-Q76 VanDerWaalsContact CA-O 3.26Å; V35-Q76 WeakPolarHBondContact CA-O 2.6Å; V35-Q76 WeakPolarHBondContact CB-O 3.05Å; W36-Q76 WeakPolarHBondContact CA-O 3.48Å; W36-Q76 HydrophobicContact CB-CB 3.88Å; W36-Q76 PolarHBondContact N-O 3.42Å; W36-Q76 PolarHBondContact O-N 3.21Å; Q76-N96 HydrophobicContact CB-CB 4.07Å; Q76-N96 HydrophobicContact CG-CB 4.21Å; Q76-N96 VanDerWaalsContact OE1-CB 3.23Å | |
| 77 | R | 81 | Confident | 80 | Confident | 153 Ų | 153 | 69 Ų | 69 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 147.2 | -178.3 | -70.1 | -174.4 | -177 | -175.5 | 1.3 | 110.8 | F94 N96 | R77-F94 HydrophobicContact CB-CD1 4.4Å; R77-F94 HydrophobicContact CB-CD2 4.31Å; R77-F94 HydrophobicContact CB-CG 4.23Å; R77-N96 PolarHBondContact O-ND2 3.28Å |
| 78 | M | 81.3 | Confident | 79.9 | Confident | 44 Ų | 44 | 62.9 Ų | 62.9 | 22% | 0.217 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -97.2 | 0 | -177.4 | -166.8 | 176.4 | -163.5 | 0 | 0 | 109.5 | L29 M34 W36 A46 F94 | L29-M78 HydrophobicContact CD2-SD 4.03Å; M34-M78 HydrophobicContact CB-SD 4.22Å; M34-M78 WeakPolarHBondContact O-CB 3Å; M34-M78 HydrophobicContact SD-SD 4.14Å; W36-M78 HydrophobicContact CH2-CE 3.55Å; W36-M78 HydrophobicContact CZ2-CE 3.13Å; W36-M78 HydrophobicContact CZ2-CG 3.93Å; W36-M78 HydrophobicContact CZ2-SD 4.14Å; W36-M78 VanDerWaalsContact NE1-CG 3.27Å; A46-M78 HydrophobicContact CB-CE 4.38Å; M78-F94 WeakPolarHBondContact O-CD2 3.41Å |
| 79 | N | 75.9 | Confident | 79.9 | Confident | 20 Ų | 20 | 61.6 Ų | 61.6 | 11% | 0.107 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | 0 | 147 | 0 | -78.9 | -50.4 | 0 | 0 | 0 | 111.4 | Y83 S93 F94 S99 | N79-Y83 HydrophobicContact CB-CD2 4.33Å; N79-S93 PolarHBondContact OD1-N 3.37Å; N79-F94 PolarHBondContact ND2-O 3.36Å; N79-F94 VanDerWaalsContact OD1-CA 3.26Å; N79-F94 WeakPolarHBondContact OD1-CA 3.49Å; N79-F94 WeakPolarHBondContact OD1-CB 2.99Å; N79-F94 VanDerWaalsContact OD1-CD2 3.26Å; N79-F94 WeakPolarHBondContact OD1-CD2 3.45Å; N79-F94 PolarHBondContact OD1-N 2.48Å; N79-F94 PolarHBondContact OD1-O 2.31Å; N79-S99 WeakPolarHBondContact ND2-CB 3.3Å; N79-S99 PolarHBondContact ND2-OG 3.19Å | |
| 80 | P | 67.9 | Low | 79.4 | Confident | 51 Ų | 51 | 58 Ų | 58 | 33% | 0.331 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 148.9 | 176 | -18 | 26 | 0 | 0 | 0 | 111.9 | K82 Y83 | P80-K82 HydrophobicContact CB-CD 4.37Å; P80-K82 HydrophobicContact CB-CG 3.81Å; P80-K82 PolarHBondContact O-N 2.93Å; P80-Y83 HydrophobicContact CB-CD2 4.05Å; P80-Y83 HydrophobicContact CB-CE2 4.31Å; P80-Y83 HydrophobicContact CG-CD2 3.87Å; P80-Y83 HydrophobicContact CG-CE2 3.83Å; P80-Y83 WeakPolarHBondContact O-CB 3.48Å; P80-Y83 PolarHBondContact O-N 2.99Å |
| 81 | S | 69 | Low | 79 | Confident | 34 Ų | 34 | 60 Ų | 60 | 24% | 0.238 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -58.9 | -17.3 | -174 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | Y83 D84 | S81-Y83 PolarHBondContact O-N 2.82Å; S81-D84 WeakPolarHBondContact O-CB 3.11Å; S81-D84 PolarHBondContact O-N 3.06Å |
| 82 | K | 67.6 | Low | 78.5 | Confident | 110 Ų | 110 | 57.8 Ų | 57.8 | 48% | 0.478 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -63.4 | -17 | 176.9 | 61 | 179.5 | 178.3 | -177.3 | 0 | 111.5 | P80 | P80-K82 HydrophobicContact CB-CD 4.37Å; P80-K82 HydrophobicContact CB-CG 3.81Å; P80-K82 PolarHBondContact O-N 2.93Å |
| 83 | Y | 73.4 | Confident | 78.1 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 15% | 0.145 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -101.7 | 13.8 | -176.4 | -70 | -72.2 | 0 | 0 | 0 | 109.8 | N79 P80 S81 K85 I86 N91 S93 | N79-Y83 HydrophobicContact CB-CD2 4.33Å; P80-Y83 HydrophobicContact CB-CD2 4.05Å; P80-Y83 HydrophobicContact CB-CE2 4.31Å; P80-Y83 HydrophobicContact CG-CD2 3.87Å; P80-Y83 HydrophobicContact CG-CE2 3.83Å; P80-Y83 WeakPolarHBondContact O-CB 3.48Å; P80-Y83 PolarHBondContact O-N 2.99Å; S81-Y83 PolarHBondContact O-N 2.82Å; Y83-K85 PolarHBondContact O-N 2.65Å; Y83-I86 HydrophobicContact CD1-CD1 3.51Å; Y83-I86 HydrophobicContact CE1-CD1 4.27Å; Y83-I86 HydrophobicContact CG-CD1 4.48Å; Y83-N91 WeakPolarHBondContact CE1-O 3.37Å; Y83-S93 WeakPolarHBondContact CD2-OG 3.4Å; Y83-S93 WeakPolarHBondContact CE1-OG 3.42Å; Y83-S93 WeakPolarHBondContact CE2-OG 3.38Å; Y83-S93 PolarHBondContact OH-OG 2.57Å |
| 84 | D | 76.8 | Confident | 77.8 | Confident | 55 Ų | 55 | 50.6 Ų | 50.6 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 0 | 177.9 | -152.2 | 8.8 | 0 | 0 | 0 | 110 | S81 I86 | S81-D84 WeakPolarHBondContact O-CB 3.11Å; S81-D84 PolarHBondContact O-N 3.06Å; D84-I86 PolarHBondContact O-N 3.21Å |
| 85 | K | 84.1 | Confident | 77.5 | Confident | 67 Ų | 67 | 45.7 Ų | 45.7 | 29% | 0.291 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | 0 | 43 | 0 | -63.6 | -178.8 | -174.7 | 178.9 | 0 | 111.2 | Y83 N103 R107 S110 M112 | Y83-K85 PolarHBondContact O-N 2.65Å; K85-N103 WeakPolarHBondContact CA-OD1 3.42Å; K85-N103 PolarHBondContact N-OD1 2.38Å; K85-R107 HydrophobicContact CB-CG 4.34Å; K85-R107 PolarHBondContact O-NH1 3.23Å; K85-S110 WeakPolarHBondContact CE-OG 3.36Å; K85-S110 PolarHBondContact NZ-OG 3.31Å; K85-M112 HydrophobicContact CB-CE 4.34Å; K85-M112 HydrophobicContact CD-CE 3.75Å; K85-M112 HydrophobicContact CG-CE 4.26Å | |
| 86 | I | 84.8 | Confident | 77.3 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | trans | -69.1 | 147.4 | 179.3 | -159 | 144.7 | 0 | 0 | 0 | 109.8 | Y83 D84 N91 L92 N103 R107 | Y83-I86 HydrophobicContact CD1-CD1 3.51Å; Y83-I86 HydrophobicContact CE1-CD1 4.27Å; Y83-I86 HydrophobicContact CG-CD1 4.48Å; D84-I86 PolarHBondContact O-N 3.21Å; I86-N91 HydrophobicContact CD1-CB 3.69Å; I86-N91 HydrophobicContact CG1-CB 4.37Å; I86-L92 HydrophobicContact CG2-CD2 4.03Å; I86-L92 HydrophobicContact CG2-CG 4.17Å; I86-N103 VanDerWaalsContact CG2-ND2 3.3Å; I86-N103 WeakPolarHBondContact CG2-ND2 3.33Å; I86-N103 PolarHBondContact N-OD1 2.42Å; I86-N103 PolarHBondContact O-ND2 2.52Å; I86-R107 PolarHBondContact O-NH1 2.47Å | ||
| 87 | K | 86.4 | Confident | 77.4 | Confident | 94 Ų | 94 | 45.8 Ų | 45.8 | 41% | 0.409 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -77.4 | -34.6 | -177 | -64.7 | 179.1 | -175.7 | 180 | 0 | 111 | T115 Y116 P151 | K87-T115 WeakPolarHBondContact O-CG2 2.74Å; K87-Y116 WeakPolarHBondContact O-CB 3.09Å; K87-Y116 PolarHBondContact O-N 2.77Å; K87-P151 HydrophobicContact CB-CG 3.79Å; K87-P151 HydrophobicContact CG-CG 4.38Å; K87-P151 WeakPolarHBondContact O-CG 2.78Å |
| 88 | D | 85.2 | Confident | 77.7 | Confident | 16 Ų | 16 | 38.6 Ų | 38.6 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -124.7 | 121.2 | -179.6 | -168.9 | -13.7 | 0 | 0 | 0 | 109.7 | A90 N91 Y116 G118 | D88-A90 PolarHBondContact O-N 2.37Å; D88-A90 VanDerWaalsContact O-N 3.08Å; D88-A90 WeakPolarHBondContact OD1-CB 3.08Å; D88-A90 PolarHBondContact OD1-N 2.55Å; D88-N91 WeakPolarHBondContact O-CB 3.25Å; D88-N91 PolarHBondContact O-N 3.03Å; D88-Y116 WeakPolarHBondContact CA-O 3.33Å; D88-G118 PolarHBondContact OD1-N 2.84Å |
| 89 | M | 84.5 | Confident | 78 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -73 | -10.5 | -174.4 | -70 | -174.9 | -72.6 | 0 | 0 | 111 | N91 L92 V100 L104 T115 Y116 S117 V122 V703 I707 | M89-N91 PolarHBondContact O-N 2.48Å; M89-N91 VanDerWaalsContact O-N 3.15Å; M89-L92 HydrophobicContact CB-CD1 4.15Å; M89-L92 HydrophobicContact CG-CD1 4.43Å; M89-L92 WeakPolarHBondContact O-CB 3.18Å; M89-L92 WeakPolarHBondContact O-CG 3.24Å; M89-L92 PolarHBondContact O-N 3.13Å; M89-V100 HydrophobicContact CE-CG1 4.31Å; M89-V100 HydrophobicContact SD-CB 4.25Å; M89-V100 HydrophobicContact SD-CG1 3.3Å; M89-V100 WeakPolarHBondContact SD-CG1 3.28Å; M89-V100 HydrophobicContact SD-CG2 4.43Å; M89-L104 HydrophobicContact SD-CD2 4.33Å; M89-L104 HydrophobicContact SD-CG 4.31Å; M89-T115 HydrophobicContact CE-CG2 4.42Å; M89-T115 HydrophobicContact CG-CG2 3.91Å; M89-T115 HydrophobicContact SD-CG2 4.49Å; M89-Y116 PolarHBondContact N-O 2.45Å; M89-S117 WeakPolarHBondContact CE-OG 3.48Å; M89-V122 HydrophobicContact CE-CB 4.4Å; M89-V122 HydrophobicContact CE-CG2 3.89Å; M89-V703 HydrophobicContact CE-CG1 4.45Å; M89-I707 HydrophobicContact CB-CD1 3.86Å; M89-I707 HydrophobicContact CE-CD1 3.85Å; M89-I707 HydrophobicContact SD-CD1 4.18Å |
| 90 | A | 78.5 | Confident | 78.7 | Confident | 10 Ų | 10 | 35.8 Ų | 35.8 | 8% | 0.083 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -73.5 | -11.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D88 L92 | D88-A90 PolarHBondContact O-N 2.37Å; D88-A90 VanDerWaalsContact O-N 3.08Å; D88-A90 WeakPolarHBondContact OD1-CB 3.08Å; D88-A90 PolarHBondContact OD1-N 2.55Å; A90-L92 VanDerWaalsContact C-N 3.32Å |
| 91 | N | 76.2 | Confident | 79.8 | Confident | 86 Ų | 86 | 33.8 Ų | 33.8 | 46% | 0.46 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -97.1 | -0.4 | -176 | -72.2 | -21.3 | 0 | 0 | 0 | 110.5 | Y83 I86 D88 M89 | Y83-N91 WeakPolarHBondContact CE1-O 3.37Å; I86-N91 HydrophobicContact CD1-CB 3.69Å; I86-N91 HydrophobicContact CG1-CB 4.37Å; D88-N91 WeakPolarHBondContact O-CB 3.25Å; D88-N91 PolarHBondContact O-N 3.03Å; M89-N91 PolarHBondContact O-N 2.48Å; M89-N91 VanDerWaalsContact O-N 3.15Å |
| 92 | L | 73.6 | Confident | 80.8 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | trans | -65.3 | 0 | 178.3 | -73.6 | 168.2 | 0 | 0 | 0 | 111 | I86 M89 A90 V100 R711 | I86-L92 HydrophobicContact CG2-CD2 4.03Å; I86-L92 HydrophobicContact CG2-CG 4.17Å; M89-L92 HydrophobicContact CB-CD1 4.15Å; M89-L92 HydrophobicContact CG-CD1 4.43Å; M89-L92 WeakPolarHBondContact O-CB 3.18Å; M89-L92 WeakPolarHBondContact O-CG 3.24Å; M89-L92 PolarHBondContact O-N 3.13Å; A90-L92 VanDerWaalsContact C-N 3.32Å; L92-V100 HydrophobicContact CD1-CG2 4.32Å; L92-R711 PolarHBondContact O-NH1 2.52Å | ||
| 93 | S | 68.3 | Low | 81.9 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 10% | 0.098 | 15% | 0.146 | C | C | . | . | S | Bend | 0 | -49.6 | 0 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | N79 Y83 R711 | N79-S93 PolarHBondContact OD1-N 3.37Å; Y83-S93 WeakPolarHBondContact CD2-OG 3.4Å; Y83-S93 WeakPolarHBondContact CE1-OG 3.42Å; Y83-S93 WeakPolarHBondContact CE2-OG 3.38Å; Y83-S93 PolarHBondContact OH-OG 2.57Å; S93-R711 PolarHBondContact O-NH1 3.33Å; S93-R711 PolarHBondContact O-NH2 2.91Å | |
| 94 | F | 70.5 | Confident | 82.8 | Confident | 32 Ų | 32 | 27.8 Ų | 27.8 | 14% | 0.14 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -107.4 | 114.4 | 173.5 | -56.6 | -66.6 | 0 | 0 | 0 | 110.2 | R77 M78 N79 N96 S99 R1439 | R77-F94 HydrophobicContact CB-CD1 4.4Å; R77-F94 HydrophobicContact CB-CD2 4.31Å; R77-F94 HydrophobicContact CB-CG 4.23Å; M78-F94 WeakPolarHBondContact O-CD2 3.41Å; N79-F94 PolarHBondContact ND2-O 3.36Å; N79-F94 VanDerWaalsContact OD1-CA 3.26Å; N79-F94 WeakPolarHBondContact OD1-CA 3.49Å; N79-F94 WeakPolarHBondContact OD1-CB 2.99Å; N79-F94 VanDerWaalsContact OD1-CD2 3.26Å; N79-F94 WeakPolarHBondContact OD1-CD2 3.45Å; N79-F94 PolarHBondContact OD1-N 2.48Å; N79-F94 PolarHBondContact OD1-O 2.31Å; F94-N96 PolarHBondContact O-N 2.52Å; F94-S99 WeakPolarHBondContact O-CB 3.45Å; F94-S99 PolarHBondContact O-OG 3.16Å; F94-R1439 CovalentContact CD1-NH2 1.09Å; F94-R1439 CovalentContact CE1-CZ 1.35Å; F94-R1439 CovalentContact CE1-NH1 1.38Å |
| 95 | M | 74.5 | Confident | 83.4 | Confident | 36 Ų | 36 | 27.3 Ų | 27.3 | 18% | 0.177 | 14% | 0.135 | C | C | . | . | trans | -95 | 90 | -176.7 | -170.5 | -169.1 | -32.3 | 0 | 0 | 109 | I707 R708 R711 M1435 | M95-I707 HydrophobicContact CE-CG2 3.9Å; M95-I707 HydrophobicContact CG-CG2 4.08Å; M95-I707 HydrophobicContact SD-CB 3.85Å; M95-I707 HydrophobicContact SD-CG2 3.32Å; M95-I707 WeakPolarHBondContact SD-CG2 2.42Å; M95-R708 HydrophobicContact SD-CB 4.3Å; M95-R711 HydrophobicContact CE-CB 3.9Å; M95-R711 HydrophobicContact CE-CG 4.17Å; M95-M1435 HydrophobicContact CB-CE 4.36Å | ||
| 96 | N | 80.8 | Confident | 83.7 | Confident | 21 Ų | 21 | 25.5 Ų | 25.5 | 11% | 0.112 | 13% | 0.13 | C | C | . | . | trans | -121.8 | 160.7 | 174.1 | 54 | 34.1 | 0 | 0 | 0 | 110.3 | Q76 R77 F94 A98 S99 V100 | Q76-N96 HydrophobicContact CB-CB 4.07Å; Q76-N96 HydrophobicContact CG-CB 4.21Å; Q76-N96 VanDerWaalsContact OE1-CB 3.23Å; R77-N96 PolarHBondContact O-ND2 3.28Å; F94-N96 PolarHBondContact O-N 2.52Å; N96-A98 PolarHBondContact O-N 2.7Å; N96-A98 VanDerWaalsContact O-N 3.15Å; N96-A98 PolarHBondContact OD1-N 3.45Å; N96-S99 PolarHBondContact ND2-OG 2.66Å; N96-S99 VanDerWaalsContact ND2-OG 3.15Å; N96-S99 PolarHBondContact O-N 2.53Å; N96-S99 VanDerWaalsContact O-N 3.12Å; N96-S99 WeakPolarHBondContact OD1-CA 2.8Å; N96-S99 WeakPolarHBondContact OD1-CB 3.3Å; N96-S99 PolarHBondContact OD1-N 3.27Å; N96-S99 PolarHBondContact OD1-OG 3.31Å; N96-V100 WeakPolarHBondContact O-CG2 2.89Å; N96-V100 PolarHBondContact O-N 2.67Å; N96-V100 VanDerWaalsContact O-N 3.14Å | ||
| 97 | E | 85.4 | Confident | 84 | Confident | 48 Ų | 48 | 24.4 Ų | 24.4 | 22% | 0.224 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.9 | -32.2 | -177.6 | -69.8 | -177.5 | 174.5 | 0 | 0 | 111 | F44 S99 V100 L101 L695 R699 L704 | F44-E97 HydrophobicContact CE2-CB 4.29Å; F44-E97 HydrophobicContact CZ-CB 4.39Å; E97-S99 VanDerWaalsContact C-N 3.3Å; E97-S99 PolarHBondContact O-N 2.47Å; E97-V100 PolarHBondContact O-N 2.86Å; E97-L101 WeakPolarHBondContact O-CB 3.3Å; E97-L101 PolarHBondContact O-N 2.66Å; E97-L695 HydrophobicContact CB-CD1 3.91Å; E97-R699 IonicContact OE1-CZ 3.69Å; E97-R699 IonicContact OE1-NE 3.02Å; E97-R699 PolarHBondContact OE1-NE 3.04Å; E97-R699 VanDerWaalsContact OE1-NE 3.14Å; E97-R699 IonicContact OE1-NH2 2.91Å; E97-R699 IonicContact OE2-CZ 3.76Å; E97-R699 VanDerWaalsContact OE2-CZ 3.28Å; E97-R699 IonicContact OE2-NE 3.53Å; E97-R699 PolarHBondContact OE2-NE 3.49Å; E97-R699 IonicContact OE2-NH2 3.08Å; E97-R699 PolarHBondContact OE2-NH2 3.17Å; E97-L704 HydrophobicContact CB-CD1 4.35Å; E97-L704 HydrophobicContact CG-CD1 3.23Å; E97-L704 HydrophobicContact CG-CD2 4.37Å; E97-L704 HydrophobicContact CG-CG 4.43Å |
| 98 | A | 87.7 | Confident | 84.2 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 2% | 0.017 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -72.2 | -34.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | W36 F44 N96 L101 N102 | W36-A98 HydrophobicContact CB-CB 3.43Å; W36-A98 VanDerWaalsContact CB-CB 3.43Å; W36-A98 HydrophobicContact CD2-CB 3.88Å; W36-A98 HydrophobicContact CG-CB 3.36Å; F44-A98 HydrophobicContact CB-CB 3.93Å; F44-A98 HydrophobicContact CD1-CB 3.88Å; F44-A98 HydrophobicContact CD2-CB 4.14Å; F44-A98 HydrophobicContact CE1-CB 4.42Å; F44-A98 HydrophobicContact CG-CB 3.73Å; N96-A98 PolarHBondContact O-N 2.7Å; N96-A98 VanDerWaalsContact O-N 3.15Å; N96-A98 PolarHBondContact OD1-N 3.45Å; A98-L101 PolarHBondContact O-N 3.15Å; A98-N102 VanDerWaalsContact O-CB 3.23Å; A98-N102 WeakPolarHBondContact O-CB 3Å; A98-N102 PolarHBondContact O-N 2.61Å |
| 99 | S | 87.7 | Confident | 84.4 | Confident | 5 Ų | 5 | 25.9 Ų | 25.9 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71.9 | -40.1 | -177.9 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | N79 F94 N96 E97 L101 N102 N103 | N79-S99 WeakPolarHBondContact ND2-CB 3.3Å; N79-S99 PolarHBondContact ND2-OG 3.19Å; F94-S99 WeakPolarHBondContact O-CB 3.45Å; F94-S99 PolarHBondContact O-OG 3.16Å; N96-S99 PolarHBondContact ND2-OG 2.66Å; N96-S99 VanDerWaalsContact ND2-OG 3.15Å; N96-S99 PolarHBondContact O-N 2.53Å; N96-S99 VanDerWaalsContact O-N 3.12Å; N96-S99 WeakPolarHBondContact OD1-CA 2.8Å; N96-S99 WeakPolarHBondContact OD1-CB 3.3Å; N96-S99 PolarHBondContact OD1-N 3.27Å; N96-S99 PolarHBondContact OD1-OG 3.31Å; E97-S99 VanDerWaalsContact C-N 3.3Å; E97-S99 PolarHBondContact O-N 2.47Å; S99-L101 VanDerWaalsContact C-N 3.3Å; S99-N102 PolarHBondContact O-N 3.21Å; S99-N103 WeakPolarHBondContact O-CB 3.46Å; S99-N103 PolarHBondContact O-N 2.39Å |
| 100 | V | 89.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | -179.7 | 173.6 | 0 | 0 | 0 | 0 | 109.6 | M89 L92 N96 E97 N102 N103 L104 L698 L704 I707 | M89-V100 HydrophobicContact CE-CG1 4.31Å; M89-V100 HydrophobicContact SD-CB 4.25Å; M89-V100 HydrophobicContact SD-CG1 3.3Å; M89-V100 WeakPolarHBondContact SD-CG1 3.28Å; M89-V100 HydrophobicContact SD-CG2 4.43Å; L92-V100 HydrophobicContact CD1-CG2 4.32Å; N96-V100 WeakPolarHBondContact O-CG2 2.89Å; N96-V100 PolarHBondContact O-N 2.67Å; N96-V100 VanDerWaalsContact O-N 3.14Å; E97-V100 PolarHBondContact O-N 2.86Å; V100-N102 VanDerWaalsContact C-N 3.27Å; V100-N102 PolarHBondContact O-N 2.81Å; V100-N103 PolarHBondContact O-N 3.46Å; V100-L104 HydrophobicContact CG1-CD1 4.27Å; V100-L104 WeakPolarHBondContact O-CG 3.18Å; V100-L104 PolarHBondContact O-N 3.34Å; V100-L698 HydrophobicContact CG1-CD1 4.03Å; V100-L704 HydrophobicContact CB-CD2 4.17Å; V100-L704 HydrophobicContact CG1-CD2 4.42Å; V100-L704 HydrophobicContact CG2-CD2 3.84Å; V100-I707 HydrophobicContact CG2-CD1 4.28Å |
| 101 | L | 91.3 | Very high | 84.8 | Confident | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 180 | 176.2 | 63.8 | 0 | 0 | 0 | 110.3 | A43 F44 E97 A98 S99 N103 L104 K105 V694 | A43-L101 HydrophobicContact CB-CD2 3.71Å; F44-L101 HydrophobicContact CD2-CD2 4.2Å; E97-L101 WeakPolarHBondContact O-CB 3.3Å; E97-L101 PolarHBondContact O-N 2.66Å; A98-L101 PolarHBondContact O-N 3.15Å; S99-L101 VanDerWaalsContact C-N 3.3Å; L101-N103 VanDerWaalsContact C-N 3.27Å; L101-N103 PolarHBondContact O-N 3.47Å; L101-L104 PolarHBondContact O-N 3.5Å; L101-K105 VanDerWaalsContact O-CB 3.26Å; L101-K105 WeakPolarHBondContact O-CB 3.39Å; L101-K105 PolarHBondContact O-N 2.69Å; L101-V694 HydrophobicContact CD1-CB 3.92Å; L101-V694 HydrophobicContact CD1-CG1 3.7Å |
| 102 | N | 89.4 | Confident | 85.4 | Confident | 49 Ų | 49 | 24.4 Ų | 24.4 | 26% | 0.262 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -64 | -39.4 | -178.8 | -175.5 | 56.9 | 0 | 0 | 0 | 111.1 | W36 A98 S99 V100 L104 K105 T106 | W36-N102 HydrophobicContact CH2-CB 4.23Å; W36-N102 HydrophobicContact CZ2-CB 4.03Å; A98-N102 VanDerWaalsContact O-CB 3.23Å; A98-N102 WeakPolarHBondContact O-CB 3Å; A98-N102 PolarHBondContact O-N 2.61Å; S99-N102 PolarHBondContact O-N 3.21Å; V100-N102 VanDerWaalsContact C-N 3.27Å; V100-N102 PolarHBondContact O-N 2.81Å; N102-L104 VanDerWaalsContact C-N 3.34Å; N102-K105 PolarHBondContact O-N 3.22Å; N102-T106 VanDerWaalsContact O-CG2 3.26Å; N102-T106 WeakPolarHBondContact O-CG2 2.88Å; N102-T106 PolarHBondContact O-N 2.51Å; N102-T106 PolarHBondContact O-OG1 2.4Å |
| 103 | N | 91 | Very high | 86.3 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 178 | -169.4 | 49.1 | 0 | 0 | 0 | 111.8 | K85 I86 S99 V100 L101 K105 T106 R107 | K85-N103 WeakPolarHBondContact CA-OD1 3.42Å; K85-N103 PolarHBondContact N-OD1 2.38Å; I86-N103 VanDerWaalsContact CG2-ND2 3.3Å; I86-N103 WeakPolarHBondContact CG2-ND2 3.33Å; I86-N103 PolarHBondContact N-OD1 2.42Å; I86-N103 PolarHBondContact O-ND2 2.52Å; S99-N103 WeakPolarHBondContact O-CB 3.46Å; S99-N103 PolarHBondContact O-N 2.39Å; V100-N103 PolarHBondContact O-N 3.46Å; L101-N103 VanDerWaalsContact C-N 3.27Å; L101-N103 PolarHBondContact O-N 3.47Å; N103-K105 PolarHBondContact O-N 2.5Å; N103-T106 WeakPolarHBondContact CA-OG1 3.08Å; N103-T106 PolarHBondContact O-N 3.25Å; N103-T106 PolarHBondContact O-OG1 3.27Å; N103-R107 WeakPolarHBondContact O-CB 2.95Å; N103-R107 WeakPolarHBondContact O-CG 2.94Å; N103-R107 PolarHBondContact O-N 2.73Å |
| 104 | L | 91.8 | Very high | 87.6 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.7 | -37.8 | 179.5 | -71.8 | 178.7 | 0 | 0 | 0 | 110.6 | M89 V100 L101 N102 R107 Y108 T115 V122 V124 L698 | M89-L104 HydrophobicContact SD-CD2 4.33Å; M89-L104 HydrophobicContact SD-CG 4.31Å; V100-L104 HydrophobicContact CG1-CD1 4.27Å; V100-L104 WeakPolarHBondContact O-CG 3.18Å; V100-L104 PolarHBondContact O-N 3.34Å; L101-L104 PolarHBondContact O-N 3.5Å; N102-L104 VanDerWaalsContact C-N 3.34Å; L104-R107 PolarHBondContact O-N 2.67Å; L104-Y108 WeakPolarHBondContact O-CB 3.17Å; L104-Y108 PolarHBondContact O-N 2.66Å; L104-T115 HydrophobicContact CD2-CG2 4.48Å; L104-V122 HydrophobicContact CD1-CG1 4.35Å; L104-V122 HydrophobicContact CD2-CG1 4.19Å; L104-V124 HydrophobicContact CD2-CG2 4.49Å; L104-L698 HydrophobicContact CD1-CD1 3.88Å; L104-L698 HydrophobicContact CD1-CD2 3.97Å; L104-L698 HydrophobicContact CD1-CG 4.46Å |
| 105 | K | 91.3 | Very high | 88.6 | Confident | 46 Ų | 46 | 22.4 Ų | 22.4 | 20% | 0.2 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67 | -46.9 | -178.8 | -169.4 | 175.3 | 177.5 | 178.5 | 0 | 110.5 | L101 N102 N103 R107 Y108 Y109 I689 | L101-K105 VanDerWaalsContact O-CB 3.26Å; L101-K105 WeakPolarHBondContact O-CB 3.39Å; L101-K105 PolarHBondContact O-N 2.69Å; N102-K105 PolarHBondContact O-N 3.22Å; N103-K105 PolarHBondContact O-N 2.5Å; K105-R107 VanDerWaalsContact C-N 3.25Å; K105-R107 PolarHBondContact O-N 3.17Å; K105-Y108 PolarHBondContact O-N 3.4Å; K105-Y109 HydrophobicContact CD-CE2 4.04Å; K105-Y109 VanDerWaalsContact CE-CE2 3.46Å; K105-Y109 HydrophobicContact CG-CD2 3.83Å; K105-Y109 HydrophobicContact CG-CE2 3.34Å; K105-Y109 WeakPolarHBondContact O-CD2 3.33Å; K105-Y109 PolarHBondContact O-N 2.47Å; K105-Y109 VanDerWaalsContact O-N 3.09Å; K105-I689 HydrophobicContact CD-CG2 4.11Å; K105-I689 HydrophobicContact CG-CG2 3.67Å |
| 106 | T | 89.7 | Confident | 89.3 | Confident | 28 Ų | 28 | 21.2 Ų | 21.2 | 17% | 0.172 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.5 | -36.7 | -178.3 | 49.5 | 0 | 0 | 0 | 0 | 110.6 | N102 N103 Y108 Y109 S110 | N102-T106 VanDerWaalsContact O-CG2 3.26Å; N102-T106 WeakPolarHBondContact O-CG2 2.88Å; N102-T106 PolarHBondContact O-N 2.51Å; N102-T106 PolarHBondContact O-OG1 2.4Å; N103-T106 WeakPolarHBondContact CA-OG1 3.08Å; N103-T106 PolarHBondContact O-N 3.25Å; N103-T106 PolarHBondContact O-OG1 3.27Å; T106-Y108 VanDerWaalsContact C-N 3.33Å; T106-Y109 PolarHBondContact O-N 2.89Å; T106-S110 PolarHBondContact O-N 3.33Å; T106-S110 PolarHBondContact O-OG 2.73Å; T106-S110 VanDerWaalsContact O-OG 3.06Å |
| 107 | R | 91.1 | Very high | 89.6 | Confident | 7 Ų | 7 | 20.2 Ų | 20.2 | 3% | 0.026 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.4 | -39.2 | 177.9 | -72.4 | -174 | 63.8 | 82.2 | -2.6 | 111.3 | K85 I86 N103 L104 K105 Y109 S110 G111 M112 Y114 T115 | K85-R107 HydrophobicContact CB-CG 4.34Å; K85-R107 PolarHBondContact O-NH1 3.23Å; I86-R107 PolarHBondContact O-NH1 2.47Å; N103-R107 WeakPolarHBondContact O-CB 2.95Å; N103-R107 WeakPolarHBondContact O-CG 2.94Å; N103-R107 PolarHBondContact O-N 2.73Å; L104-R107 PolarHBondContact O-N 2.67Å; K105-R107 VanDerWaalsContact C-N 3.25Å; K105-R107 PolarHBondContact O-N 3.17Å; R107-Y109 VanDerWaalsContact C-N 3.25Å; R107-Y109 PolarHBondContact O-N 3.27Å; R107-S110 CarbonylContact O-C 3.32Å; R107-S110 PolarHBondContact O-N 2.71Å; R107-G111 PolarHBondContact O-N 2.76Å; R107-M112 CarbonylContact C-O 2.99Å; R107-M112 HydrophobicContact CB-CB 4.14Å; R107-M112 HydrophobicContact CB-CE 4.41Å; R107-M112 WeakPolarHBondContact CB-O 3.41Å; R107-M112 HydrophobicContact CG-CE 4.26Å; R107-M112 PolarHBondContact O-N 3.29Å; R107-Y114 PolarHBondContact NH2-O 3.36Å; R107-T115 VanDerWaalsContact CD-OG1 3.3Å; R107-T115 WeakPolarHBondContact CD-OG1 3.3Å; R107-T115 PolarHBondContact NE-OG1 3.22Å |
| 108 | Y | 90.8 | Very high | 89.3 | Confident | 14 Ų | 14 | 18 Ų | 18 | 6% | 0.055 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 179.1 | 177.6 | -102.6 | 0 | 0 | 0 | 110.3 | L104 K105 T106 S110 G111 V124 P680 G687 I689 | L104-Y108 WeakPolarHBondContact O-CB 3.17Å; L104-Y108 PolarHBondContact O-N 2.66Å; K105-Y108 PolarHBondContact O-N 3.4Å; T106-Y108 VanDerWaalsContact C-N 3.33Å; Y108-S110 PolarHBondContact O-N 3.4Å; Y108-G111 PolarHBondContact O-N 3.4Å; Y108-V124 HydrophobicContact CD2-CB 4Å; Y108-V124 HydrophobicContact CD2-CG1 3.5Å; Y108-V124 VanDerWaalsContact CD2-CG1 3.5Å; Y108-V124 HydrophobicContact CE2-CG1 3.76Å; Y108-V124 HydrophobicContact CG-CG1 4.33Å; Y108-P680 HydrophobicContact CE2-CB 4.4Å; Y108-G687 PolarHBondContact OH-N 3.44Å; Y108-I689 HydrophobicContact CD1-CB 4.3Å; Y108-I689 HydrophobicContact CE1-CB 4.42Å; Y108-I689 HydrophobicContact CG-CD1 4.47Å |
| 109 | Y | 89.6 | Confident | 89 | Confident | 126 Ų | 126 | 21.4 Ų | 21.4 | 49% | 0.494 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -70.4 | -18.3 | -178.1 | -77.8 | -55.1 | 0 | 0 | 0 | 110.7 | K105 T106 R107 G111 G687 I689 | K105-Y109 HydrophobicContact CD-CE2 4.04Å; K105-Y109 VanDerWaalsContact CE-CE2 3.46Å; K105-Y109 HydrophobicContact CG-CD2 3.83Å; K105-Y109 HydrophobicContact CG-CE2 3.34Å; K105-Y109 WeakPolarHBondContact O-CD2 3.33Å; K105-Y109 PolarHBondContact O-N 2.47Å; K105-Y109 VanDerWaalsContact O-N 3.09Å; T106-Y109 PolarHBondContact O-N 2.89Å; R107-Y109 VanDerWaalsContact C-N 3.25Å; R107-Y109 PolarHBondContact O-N 3.27Å; Y109-G111 PolarHBondContact O-N 2.57Å; Y109-G687 WeakPolarHBondContact CE1-O 2.8Å; Y109-I689 HydrophobicContact CE2-CG2 4.06Å; Y109-I689 VanDerWaalsContact OH-CG2 3.32Å; Y109-I689 WeakPolarHBondContact OH-CG2 3.36Å |
| 110 | S | 85.8 | Confident | 88.9 | Confident | 36 Ų | 36 | 21.3 Ų | 21.3 | 25% | 0.252 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 4.3 | 178.3 | -64.3 | 0 | 0 | 0 | 0 | 111 | K85 T106 R107 Y108 M112 | K85-S110 WeakPolarHBondContact CE-OG 3.36Å; K85-S110 PolarHBondContact NZ-OG 3.31Å; T106-S110 PolarHBondContact O-N 3.33Å; T106-S110 PolarHBondContact O-OG 2.73Å; T106-S110 VanDerWaalsContact O-OG 3.06Å; R107-S110 CarbonylContact O-C 3.32Å; R107-S110 PolarHBondContact O-N 2.71Å; Y108-S110 PolarHBondContact O-N 3.4Å; S110-M112 VanDerWaalsContact C-N 3.26Å; S110-M112 PolarHBondContact O-N 2.12Å |
| 111 | G | 85.5 | Confident | 89 | Confident | 18 Ų | 18 | 21.3 Ų | 21.3 | 19% | 0.186 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 7.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R107 Y108 Y109 | R107-G111 PolarHBondContact O-N 2.76Å; Y108-G111 PolarHBondContact O-N 3.4Å; Y109-G111 PolarHBondContact O-N 2.57Å |
| 112 | M | 89.1 | Confident | 89.1 | Confident | 11 Ų | 11 | 20.9 Ų | 20.9 | 5% | 0.054 | 11% | 0.106 | C | C | . | . | trans | -95.3 | 101.5 | 176 | -61.5 | 175.3 | -77.7 | 0 | 0 | 110.2 | E15 K85 R107 S110 | E15-M112 VanDerWaalsContact O-CG 3.24Å; E15-M112 WeakPolarHBondContact O-CG 3.17Å; K85-M112 HydrophobicContact CB-CE 4.34Å; K85-M112 HydrophobicContact CD-CE 3.75Å; K85-M112 HydrophobicContact CG-CE 4.26Å; R107-M112 CarbonylContact C-O 2.99Å; R107-M112 HydrophobicContact CB-CB 4.14Å; R107-M112 HydrophobicContact CB-CE 4.41Å; R107-M112 WeakPolarHBondContact CB-O 3.41Å; R107-M112 HydrophobicContact CG-CE 4.26Å; R107-M112 PolarHBondContact O-N 3.29Å; S110-M112 VanDerWaalsContact C-N 3.26Å; S110-M112 PolarHBondContact O-N 2.12Å | ||
| 113 | I | 92.3 | Very high | 89.3 | Confident | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | trans | -97.8 | -18.5 | -166.6 | 55 | 173.6 | 0 | 0 | 0 | 108.9 | V123 V124 P126 L130 I132 | I113-V123 WeakPolarHBondContact O-CA 2.82Å; I113-V124 WeakPolarHBondContact CB-O 3.17Å; I113-V124 PolarHBondContact O-N 2.6Å; I113-V124 VanDerWaalsContact O-N 3.14Å; I113-P126 HydrophobicContact CD1-CG 4.05Å; I113-P126 HydrophobicContact CG2-CB 3.85Å; I113-P126 HydrophobicContact CG2-CG 4Å; I113-L130 HydrophobicContact CD1-CD1 3.98Å; I113-L130 HydrophobicContact CG1-CD1 4.28Å; I113-L130 HydrophobicContact CG2-CD1 3.72Å; I113-I132 HydrophobicContact CD1-CD1 4.19Å; I113-I132 HydrophobicContact CG1-CD1 4.49Å | ||
| 114 | Y | 94.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 18.6 Ų | 18.6 | 1% | 0.012 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.3 | 179.9 | -62.9 | -77.1 | 0 | 0 | 0 | 109.5 | R107 V123 I132 Y133 P151 I153 N186 | R107-Y114 PolarHBondContact NH2-O 3.36Å; Y114-V123 HydrophobicContact CD1-CB 4.04Å; Y114-V123 HydrophobicContact CD1-CG1 3.83Å; Y114-V123 HydrophobicContact CD1-CG2 3.1Å; Y114-V123 HydrophobicContact CE1-CB 4.12Å; Y114-V123 HydrophobicContact CE1-CG1 3.57Å; Y114-V123 HydrophobicContact CE1-CG2 3.37Å; Y114-V123 HydrophobicContact CG-CG2 4.29Å; Y114-I132 HydrophobicContact CD2-CD1 4.39Å; Y114-I132 HydrophobicContact CE2-CD1 3.76Å; Y114-Y133 HydrophobicContact CE2-CE1 4.45Å; Y114-Y133 PolarHBondContact OH-OH 2.51Å; Y114-P151 WeakPolarHBondContact CB-O 3.34Å; Y114-P151 VanDerWaalsContact O-CB 3.32Å; Y114-P151 WeakPolarHBondContact O-CB 3.38Å; Y114-I153 HydrophobicContact CD1-CB 4.47Å; Y114-I153 HydrophobicContact CE1-CB 3.81Å; Y114-N186 WeakPolarHBondContact CE1-OD1 3.46Å; Y114-N186 PolarHBondContact OH-OD1 3.39Å |
| 115 | T | 92.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 132.9 | 179.2 | -55.2 | 0 | 0 | 0 | 0 | 109.2 | K87 M89 L104 R107 C121 V122 | K87-T115 WeakPolarHBondContact O-CG2 2.74Å; M89-T115 HydrophobicContact CE-CG2 4.42Å; M89-T115 HydrophobicContact CG-CG2 3.91Å; M89-T115 HydrophobicContact SD-CG2 4.49Å; L104-T115 HydrophobicContact CD2-CG2 4.48Å; R107-T115 VanDerWaalsContact CD-OG1 3.3Å; R107-T115 WeakPolarHBondContact CD-OG1 3.3Å; R107-T115 PolarHBondContact NE-OG1 3.22Å; T115-C121 CarbonylContact O-C 3.46Å; T115-C121 WeakPolarHBondContact O-CA 3.07Å; T115-V122 PolarHBondContact N-O 2.52Å; T115-V122 PolarHBondContact O-N 3.47Å |
| 116 | Y | 90.2 | Very high | 89.4 | Confident | 10 Ų | 10 | 18.5 Ų | 18.5 | 4% | 0.039 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 142.5 | 177.6 | -72.2 | -42.2 | 0 | 0 | 0 | 110.7 | K87 D88 M89 C121 R146 P151 A155 I156 | K87-Y116 WeakPolarHBondContact O-CB 3.09Å; K87-Y116 PolarHBondContact O-N 2.77Å; D88-Y116 WeakPolarHBondContact CA-O 3.33Å; M89-Y116 PolarHBondContact N-O 2.45Å; Y116-C121 HydrophobicContact CD1-CB 4.32Å; Y116-R146 HydrophobicContact CD2-CG 4.39Å; Y116-R146 HydrophobicContact CE1-CG 4.15Å; Y116-R146 HydrophobicContact CE2-CG 3.77Å; Y116-P151 HydrophobicContact CD1-CB 4.21Å; Y116-P151 HydrophobicContact CD2-CB 3.74Å; Y116-P151 HydrophobicContact CD2-CG 3.44Å; Y116-P151 VanDerWaalsContact CD2-CG 3.44Å; Y116-P151 HydrophobicContact CE1-CB 4.15Å; Y116-P151 VanDerWaalsContact CE2-CA 3.42Å; Y116-P151 HydrophobicContact CE2-CB 3.67Å; Y116-P151 HydrophobicContact CE2-CG 3.64Å; Y116-P151 HydrophobicContact CG-CB 4.02Å; Y116-P151 HydrophobicContact CG-CG 4.04Å; Y116-P151 VanDerWaalsContact CZ-CA 3.45Å; Y116-A155 WeakPolarHBondContact OH-CB 3.22Å; Y116-I156 HydrophobicContact CE1-CG1 4.36Å |
| 117 | S | 86.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 0 | 176.2 | -60.7 | 0 | 0 | 0 | 0 | 109.5 | M89 L119 F120 V122 | M89-S117 WeakPolarHBondContact CE-OG 3.48Å; S117-L119 PolarHBondContact O-N 3.41Å; S117-F120 VanDerWaalsContact CB-CE2 3.4Å; S117-F120 PolarHBondContact N-O 2.56Å; S117-F120 WeakPolarHBondContact O-CD1 3.39Å; S117-F120 VanDerWaalsContact O-CE1 3.24Å; S117-F120 WeakPolarHBondContact O-CE1 3.19Å; S117-V122 VanDerWaalsContact OG-CG2 3.26Å; S117-V122 WeakPolarHBondContact OG-CG2 3.13Å |
| 118 | G | 78.7 | Confident | 89 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | 0 | -99.6 | 0 | 0 | 0 | 0 | 0 | 0 | 111.1 | D88 R146 | D88-G118 PolarHBondContact OD1-N 2.84Å; G118-R146 PolarHBondContact O-NH1 2.71Å; G118-R146 PolarHBondContact O-NH2 2.75Å | |
| 119 | L | 80.7 | Confident | 88.6 | Confident | 74 Ų | 74 | 37.8 Ų | 37.8 | 39% | 0.387 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -14.4 | -173.9 | -68.2 | 170.9 | 0 | 0 | 0 | 110 | S117 M496 P715 | S117-L119 PolarHBondContact O-N 3.41Å; L119-M496 HydrophobicContact CB-CE 3.96Å; L119-M496 HydrophobicContact CB-SD 4.29Å; L119-M496 HydrophobicContact CD1-CE 3.64Å; L119-M496 HydrophobicContact CD1-SD 4Å; L119-M496 HydrophobicContact CG-CE 4.3Å; L119-P715 HydrophobicContact CD1-CB 4.11Å; L119-P715 HydrophobicContact CD2-CB 3.93Å; L119-P715 HydrophobicContact CG-CB 4.15Å |
| 120 | F | 87.4 | Confident | 88.4 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 174.5 | -178.2 | 57.7 | -84.9 | 0 | 0 | 0 | 109.3 | S117 V122 F492 M496 F674 R676 V703 I707 | S117-F120 VanDerWaalsContact CB-CE2 3.4Å; S117-F120 PolarHBondContact N-O 2.56Å; S117-F120 WeakPolarHBondContact O-CD1 3.39Å; S117-F120 VanDerWaalsContact O-CE1 3.24Å; S117-F120 WeakPolarHBondContact O-CE1 3.19Å; F120-V122 HydrophobicContact CD2-CG2 4.27Å; F120-V122 HydrophobicContact CE2-CG2 3.9Å; F120-F492 HydrophobicContact CD1-CE2 4.25Å; F120-F492 HydrophobicContact CD1-CZ 4.4Å; F120-F492 HydrophobicContact CE1-CZ 4.23Å; F120-F492 HydrophobicContact CG-CE2 4.48Å; F120-M496 HydrophobicContact CD1-CE 4.11Å; F120-M496 HydrophobicContact CE1-CE 4.38Å; F120-F674 WeakPolarHBondContact CA-O 3.48Å; F120-F674 HydrophobicContact CB-CB 3.73Å; F120-F674 VanDerWaalsContact CB-O 3.26Å; F120-F674 WeakPolarHBondContact CB-O 3.16Å; F120-R676 HydrophobicContact CD2-CG 4.2Å; F120-V703 HydrophobicContact CE2-CB 4.36Å; F120-V703 HydrophobicContact CE2-CG1 3.79Å; F120-V703 HydrophobicContact CE2-CG2 4.22Å; F120-V703 HydrophobicContact CZ-CB 4.38Å; F120-V703 HydrophobicContact CZ-CG1 3.88Å; F120-I707 HydrophobicContact CZ-CG1 4.36Å |
| 121 | C | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 136.4 | -174.1 | 177 | 0 | 0 | 0 | 0 | 109.6 | T115 Y116 I156 F674 V675 R676 | T115-C121 CarbonylContact O-C 3.46Å; T115-C121 WeakPolarHBondContact O-CA 3.07Å; Y116-C121 HydrophobicContact CD1-CB 4.32Å; C121-I156 HydrophobicContact CB-CD1 3.04Å; C121-I156 HydrophobicContact CB-CG1 4.21Å; C121-F674 PolarHBondContact N-O 2.63Å; C121-F674 VanDerWaalsContact N-O 3.15Å; C121-V675 CarbonylContact O-C 3.54Å; C121-V675 WeakPolarHBondContact O-CA 2.86Å; C121-R676 PolarHBondContact O-N 2.57Å |
| 122 | V | 93.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.4 | 177.7 | 175.9 | 0 | 0 | 0 | 0 | 108.5 | M89 L104 T115 S117 F120 R676 I678 V703 | M89-V122 HydrophobicContact CE-CB 4.4Å; M89-V122 HydrophobicContact CE-CG2 3.89Å; L104-V122 HydrophobicContact CD1-CG1 4.35Å; L104-V122 HydrophobicContact CD2-CG1 4.19Å; T115-V122 PolarHBondContact N-O 2.52Å; T115-V122 PolarHBondContact O-N 3.47Å; S117-V122 VanDerWaalsContact OG-CG2 3.26Å; S117-V122 WeakPolarHBondContact OG-CG2 3.13Å; F120-V122 HydrophobicContact CD2-CG2 4.27Å; F120-V122 HydrophobicContact CE2-CG2 3.9Å; V122-R676 CarbonylContact C-O 2.96Å; V122-R676 VanDerWaalsContact CA-O 3.28Å; V122-R676 WeakPolarHBondContact CA-O 3.09Å; V122-I678 HydrophobicContact CG1-CG1 3.76Å; V122-V703 HydrophobicContact CG2-CG1 4.01Å |
| 123 | V | 94.2 | Very high | 88.3 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128.8 | -177.9 | -179 | 0 | 0 | 0 | 0 | 108 | I113 Y114 V675 R676 C677 I678 | I113-V123 WeakPolarHBondContact O-CA 2.82Å; Y114-V123 HydrophobicContact CD1-CB 4.04Å; Y114-V123 HydrophobicContact CD1-CG1 3.83Å; Y114-V123 HydrophobicContact CD1-CG2 3.1Å; Y114-V123 HydrophobicContact CE1-CB 4.12Å; Y114-V123 HydrophobicContact CE1-CG1 3.57Å; Y114-V123 HydrophobicContact CE1-CG2 3.37Å; Y114-V123 HydrophobicContact CG-CG2 4.29Å; V123-V675 HydrophobicContact CB-CG1 4.5Å; V123-V675 HydrophobicContact CG2-CG1 3.51Å; V123-R676 PolarHBondContact N-O 3.42Å; V123-C677 CarbonylContact O-C 3.53Å; V123-C677 VanDerWaalsContact O-CA 3.26Å; V123-C677 WeakPolarHBondContact O-CA 3.2Å; V123-I678 PolarHBondContact O-N 2.83Å |
| 124 | V | 93.5 | Very high | 87.8 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123.1 | 175.9 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | L104 Y108 I113 P126 I678 P680 | L104-V124 HydrophobicContact CD2-CG2 4.49Å; Y108-V124 HydrophobicContact CD2-CB 4Å; Y108-V124 HydrophobicContact CD2-CG1 3.5Å; Y108-V124 VanDerWaalsContact CD2-CG1 3.5Å; Y108-V124 HydrophobicContact CE2-CG1 3.76Å; Y108-V124 HydrophobicContact CG-CG1 4.33Å; I113-V124 WeakPolarHBondContact CB-O 3.17Å; I113-V124 PolarHBondContact O-N 2.6Å; I113-V124 VanDerWaalsContact O-N 3.14Å; V124-P126 VanDerWaalsContact O-CD 3.29Å; V124-P126 WeakPolarHBondContact O-CD 3.33Å; V124-I678 HydrophobicContact CG2-CB 4.28Å; V124-P680 HydrophobicContact CG1-CB 4.05Å |
| 125 | N | 91.9 | Very high | 87 | Confident | 25 Ų | 25 | 41.1 Ų | 41.1 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | trans | -66.2 | 125.8 | -175.1 | -173.7 | 6.8 | 0 | 0 | 0 | 110.2 | Y127 G180 S181 I678 P680 | N125-Y127 WeakPolarHBondContact ND2-CE1 2.76Å; N125-Y127 PolarHBondContact OD1-N 3.36Å; N125-Y127 VanDerWaalsContact OD1-N 3.1Å; N125-G180 PolarHBondContact ND2-O 2.53Å; N125-S181 WeakPolarHBondContact CB-O 2.51Å; N125-I678 PolarHBondContact N-O 3.28Å; N125-I678 VanDerWaalsContact N-O 3.13Å; N125-P680 WeakPolarHBondContact O-CD 3.2Å; N125-P680 WeakPolarHBondContact O-CG 2.79Å | ||
| 126 | P | 90.2 | Very high | 86.6 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 14% | 0.136 | 22% | 0.221 | C | C | . | . | trans | -87 | -17 | -177.2 | 28.3 | -35.1 | 0 | 0 | 0 | 112 | I113 V124 K128 L130 | I113-P126 HydrophobicContact CD1-CG 4.05Å; I113-P126 HydrophobicContact CG2-CB 3.85Å; I113-P126 HydrophobicContact CG2-CG 4Å; V124-P126 VanDerWaalsContact O-CD 3.29Å; V124-P126 WeakPolarHBondContact O-CD 3.33Å; P126-K128 WeakPolarHBondContact CG-O 3.32Å; P126-K128 PolarHBondContact O-N 2.75Å; P126-L130 HydrophobicContact CB-CD1 4.2Å; P126-L130 HydrophobicContact CB-CG 4.49Å; P126-L130 HydrophobicContact CG-CD1 4.09Å; P126-L130 HydrophobicContact CG-CG 4.37Å | ||
| 127 | Y | 86 | Confident | 86.4 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 26% | 0.263 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 59.1 | 12.3 | -175.8 | -73.6 | -63.4 | 0 | 0 | 0 | 110.6 | N125 G180 I679 P680 | N125-Y127 WeakPolarHBondContact ND2-CE1 2.76Å; N125-Y127 PolarHBondContact OD1-N 3.36Å; N125-Y127 VanDerWaalsContact OD1-N 3.1Å; Y127-G180 PolarHBondContact OH-O 3.4Å; Y127-I679 WeakPolarHBondContact OH-CD1 3Å; Y127-I679 VanDerWaalsContact OH-CG1 3.26Å; Y127-I679 WeakPolarHBondContact OH-CG1 3.45Å; Y127-P680 HydrophobicContact CD2-CG 3.71Å; Y127-P680 HydrophobicContact CE2-CG 3.31Å |
| 128 | K | 85.2 | Confident | 86.4 | Confident | 146 Ų | 146 | 47.9 Ų | 47.9 | 64% | 0.635 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -132 | 146 | 175.9 | -179.1 | -179 | 178.5 | -179.8 | 0 | 109.7 | P126 L130 P686 | P126-K128 WeakPolarHBondContact CG-O 3.32Å; P126-K128 PolarHBondContact O-N 2.75Å; K128-L130 PolarHBondContact O-N 3.45Å; K128-P686 HydrophobicContact CB-CB 4.4Å |
| 129 | R | 83.5 | Confident | 86.7 | Confident | 241 Ų | 241 | 53.8 Ų | 53.8 | 91% | 0.909 | 25% | 0.252 | S | S | * | . | trans | -77.7 | 110.9 | 178.5 | -74.9 | -170.3 | -173.6 | -139.3 | -0.5 | 110.3 | ||||
| 130 | L | 85.3 | Confident | 87 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | trans | -93.1 | 134.1 | -179.4 | -62.9 | 176.3 | 0 | 0 | 0 | 110.1 | I113 P126 K128 I132 | I113-L130 HydrophobicContact CD1-CD1 3.98Å; I113-L130 HydrophobicContact CG1-CD1 4.28Å; I113-L130 HydrophobicContact CG2-CD1 3.72Å; P126-L130 HydrophobicContact CB-CD1 4.2Å; P126-L130 HydrophobicContact CB-CG 4.49Å; P126-L130 HydrophobicContact CG-CD1 4.09Å; P126-L130 HydrophobicContact CG-CG 4.37Å; K128-L130 PolarHBondContact O-N 3.45Å; L130-I132 HydrophobicContact CB-CD1 4.19Å; L130-I132 HydrophobicContact CB-CG1 3.97Å; L130-I132 HydrophobicContact CB-CG2 4.27Å; L130-I132 HydrophobicContact CD1-CD1 4.35Å; L130-I132 PolarHBondContact O-N 2.73Å | ||
| 131 | P | 84 | Confident | 87.1 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 31% | 0.305 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -69.4 | 57.4 | 179.7 | 29.1 | -31.8 | 0 | 0 | 0 | 111.7 | M12 E15 | M12-P131 HydrophobicContact CE-CB 3.57Å; M12-P131 HydrophobicContact CE-CG 4.48Å; M12-P131 HydrophobicContact CG-CB 4.12Å; M12-P131 HydrophobicContact CG-CG 4.17Å; E15-P131 WeakPolarHBondContact OE2-CD 2.89Å; E15-P131 WeakPolarHBondContact OE2-CG 3.13Å |
| 132 | I | 86.5 | Confident | 87 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | trans | -120.7 | 13.7 | -175.8 | 53.7 | 173.4 | 0 | 0 | 0 | 108.2 | L16 I113 Y114 L130 I137 H152 | L16-I132 HydrophobicContact CD1-CB 4.33Å; L16-I132 HydrophobicContact CD1-CG2 4.01Å; L16-I132 HydrophobicContact CD2-CG2 4.27Å; L16-I132 HydrophobicContact CG-CB 4.49Å; L16-I132 HydrophobicContact CG-CG2 3.88Å; I113-I132 HydrophobicContact CD1-CD1 4.19Å; I113-I132 HydrophobicContact CG1-CD1 4.49Å; Y114-I132 HydrophobicContact CD2-CD1 4.39Å; Y114-I132 HydrophobicContact CE2-CD1 3.76Å; L130-I132 HydrophobicContact CB-CD1 4.19Å; L130-I132 HydrophobicContact CB-CG1 3.97Å; L130-I132 HydrophobicContact CB-CG2 4.27Å; L130-I132 HydrophobicContact CD1-CD1 4.35Å; L130-I132 PolarHBondContact O-N 2.73Å; I132-I137 WeakPolarHBondContact O-CG2 3.36Å; I132-H152 PolarHBondContact O-NE2 3.41Å | ||
| 133 | Y | 86.7 | Confident | 86.5 | Confident | 39 Ų | 39 | 59.5 Ų | 59.5 | 15% | 0.153 | 29% | 0.286 | C | S | . | . | trans | -123.7 | 20.1 | -174.7 | -58.4 | -68.7 | 0 | 0 | 0 | 109.5 | Y114 H152 I153 F154 K189 | Y114-Y133 HydrophobicContact CE2-CE1 4.45Å; Y114-Y133 PolarHBondContact OH-OH 2.51Å; Y133-H152 AromaticContact CD1-CE1 3.99Å; Y133-H152 AromaticContact CE1-CE1 3.95Å; Y133-H152 AromaticContact CE1-NE2 3.9Å; Y133-I153 HydrophobicContact CE1-CG2 4.29Å; Y133-F154 HydrophobicContact CD1-CE1 4.46Å; Y133-F154 HydrophobicContact CD1-CE2 4.32Å; Y133-F154 AromaticContact CD1-CZ 3.85Å; Y133-F154 HydrophobicContact CD1-CZ 3.85Å; Y133-K189 HydrophobicContact CD1-CB 4.31Å; Y133-K189 HydrophobicContact CD1-CD 3.58Å; Y133-K189 HydrophobicContact CD1-CG 3.83Å; Y133-K189 HydrophobicContact CD2-CD 4.18Å; Y133-K189 HydrophobicContact CE1-CB 4.25Å; Y133-K189 HydrophobicContact CE1-CD 3.96Å; Y133-K189 HydrophobicContact CE1-CG 3.69Å; Y133-K189 HydrophobicContact CG-CD 3.7Å; Y133-K189 HydrophobicContact CG-CG 4.39Å | ||
| 134 | D | 82.4 | Confident | 86.1 | Confident | 72 Ų | 72 | 63.1 Ų | 63.1 | 39% | 0.385 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -74.3 | 165.6 | 178.9 | -69.4 | -23.6 | 0 | 0 | 0 | 110.7 | M12 D136 I137 V138 | M12-D134 WeakPolarHBondContact CE-OD2 2.76Å; D134-D136 PolarHBondContact O-N 3.4Å; D134-I137 VanDerWaalsContact O-CB 3.31Å; D134-I137 WeakPolarHBondContact O-CB 3.49Å; D134-I137 PolarHBondContact O-N 3.45Å; D134-V138 PolarHBondContact O-N 2.62Å; D134-V138 VanDerWaalsContact O-N 3.13Å |
| 135 | E | 77.6 | Confident | 85.4 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.6 | -35.9 | -176.8 | -165.8 | 172.3 | -179.4 | 0 | 0 | 110.9 | I137 V138 E139 F215 | E135-I137 PolarHBondContact O-N 3.36Å; E135-V138 WeakPolarHBondContact O-CA 3.16Å; E135-V138 VanDerWaalsContact O-CB 3.26Å; E135-V138 WeakPolarHBondContact O-CB 3.28Å; E135-V138 PolarHBondContact O-N 3.39Å; E135-E139 PolarHBondContact O-N 3.27Å; E135-F215 VanDerWaalsContact CD-CE2 3.43Å; E135-F215 HydrophobicContact CG-CE1 4.42Å; E135-F215 HydrophobicContact CG-CZ 4.31Å; E135-F215 VanDerWaalsContact OE1-CD1 3.26Å; E135-F215 WeakPolarHBondContact OE1-CD1 3.42Å; E135-F215 WeakPolarHBondContact OE1-CE1 2.29Å; E135-F215 WeakPolarHBondContact OE1-CE2 2.33Å; E135-F215 WeakPolarHBondContact OE1-CZ 2.95Å; E135-F215 WeakPolarHBondContact OE2-CE2 3.04Å; E135-F215 WeakPolarHBondContact OE2-CZ 3.06Å |
| 136 | D | 84 | Confident | 84.7 | Confident | 134 Ų | 134 | 68 Ų | 68 | 72% | 0.717 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60 | -33.4 | 178.8 | -68.2 | -23.2 | 0 | 0 | 0 | 111.1 | D134 V138 E139 W140 | D134-D136 PolarHBondContact O-N 3.4Å; D136-V138 VanDerWaalsContact C-N 3.34Å; D136-E139 PolarHBondContact O-N 3.38Å; D136-W140 WeakPolarHBondContact O-CB 2.64Å; D136-W140 PolarHBondContact O-N 3.3Å |
| 137 | I | 86.6 | Confident | 84 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -74 | -36.5 | 179.7 | -64 | -63.6 | 0 | 0 | 0 | 109.8 | L16 I132 D134 E135 E139 W140 Y141 F154 | L16-I137 HydrophobicContact CD1-CD1 3.75Å; I132-I137 WeakPolarHBondContact O-CG2 3.36Å; D134-I137 VanDerWaalsContact O-CB 3.31Å; D134-I137 WeakPolarHBondContact O-CB 3.49Å; D134-I137 PolarHBondContact O-N 3.45Å; E135-I137 PolarHBondContact O-N 3.36Å; I137-E139 VanDerWaalsContact C-N 3.29Å; I137-E139 PolarHBondContact O-N 2.79Å; I137-W140 HydrophobicContact CD1-CE3 4.14Å; I137-W140 WeakPolarHBondContact O-CA 3.04Å; I137-W140 WeakPolarHBondContact O-CB 3.21Å; I137-W140 PolarHBondContact O-N 3.23Å; I137-Y141 HydrophobicContact CG2-CD2 3.62Å; I137-Y141 HydrophobicContact CG2-CE2 3.67Å; I137-Y141 VanDerWaalsContact O-CD2 3.27Å; I137-Y141 WeakPolarHBondContact O-CD2 3.44Å; I137-Y141 PolarHBondContact O-N 2.8Å; I137-F154 HydrophobicContact CG2-CD2 4Å; I137-F154 HydrophobicContact CG2-CE2 4.13Å |
| 138 | V | 86.2 | Confident | 83.7 | Confident | 6 Ų | 6 | 72.7 Ų | 72.7 | 4% | 0.036 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 109.4 | D134 E135 D136 W140 Y141 K142 F154 Y193 C196 V197 | D134-V138 PolarHBondContact O-N 2.62Å; D134-V138 VanDerWaalsContact O-N 3.13Å; E135-V138 WeakPolarHBondContact O-CA 3.16Å; E135-V138 VanDerWaalsContact O-CB 3.26Å; E135-V138 WeakPolarHBondContact O-CB 3.28Å; E135-V138 PolarHBondContact O-N 3.39Å; D136-V138 VanDerWaalsContact C-N 3.34Å; V138-W140 PolarHBondContact O-N 1.76Å; V138-Y141 PolarHBondContact O-N 2.77Å; V138-Y141 VanDerWaalsContact O-N 3.08Å; V138-K142 WeakPolarHBondContact O-CB 3.19Å; V138-K142 PolarHBondContact O-N 0.87Å; V138-F154 HydrophobicContact CG2-CD2 4.39Å; V138-F154 HydrophobicContact CG2-CE2 3.86Å; V138-F154 HydrophobicContact CG2-CZ 4.2Å; V138-Y193 HydrophobicContact CG1-CD2 3.97Å; V138-Y193 HydrophobicContact CG1-CE2 4.01Å; V138-Y193 HydrophobicContact CG2-CD2 4.44Å; V138-C196 HydrophobicContact CG1-CB 4.21Å; V138-V197 HydrophobicContact CG1-CG2 4.2Å |
| 139 | E | 85.3 | Confident | 83.6 | Confident | 124 Ų | 124 | 68.3 Ų | 68.3 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.8 | -30.7 | 179.8 | -170.8 | 63 | -154.5 | 0 | 0 | 110.6 | E135 D136 I137 Y141 K142 | E135-E139 PolarHBondContact O-N 3.27Å; D136-E139 PolarHBondContact O-N 3.38Å; I137-E139 VanDerWaalsContact C-N 3.29Å; I137-E139 PolarHBondContact O-N 2.79Å; E139-Y141 PolarHBondContact O-N 3.34Å; E139-K142 PolarHBondContact O-N 2.68Å |
| 140 | W | 85.9 | Confident | 83.7 | Confident | 52 Ų | 52 | 57 Ų | 57 | 20% | 0.197 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.1 | -29.3 | 180 | -168 | 40.1 | 0 | 0 | 0 | 111.3 | L16 L17 D136 I137 V138 K144 R149 P150 | L16-W140 HydrophobicContact CB-CZ3 4.43Å; L16-W140 HydrophobicContact CD1-CZ3 4.03Å; L17-W140 HydrophobicContact CD1-CH2 3.79Å; L17-W140 HydrophobicContact CD1-CZ2 4.17Å; L17-W140 HydrophobicContact CG-CH2 4.2Å; D136-W140 WeakPolarHBondContact O-CB 2.64Å; D136-W140 PolarHBondContact O-N 3.3Å; I137-W140 HydrophobicContact CD1-CE3 4.14Å; I137-W140 WeakPolarHBondContact O-CA 3.04Å; I137-W140 WeakPolarHBondContact O-CB 3.21Å; I137-W140 PolarHBondContact O-N 3.23Å; V138-W140 PolarHBondContact O-N 1.76Å; W140-K144 WeakPolarHBondContact O-CG 3.18Å; W140-R149 VanDerWaalsContact NE1-NH2 3.2Å; W140-R149 PolarHBondContact O-NE 1.05Å; W140-P150 HydrophobicContact CH2-CG 3.67Å; W140-P150 HydrophobicContact CZ3-CG 3.92Å |
| 141 | Y | 89.8 | Confident | 84 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -101.2 | -10.3 | -176.3 | -87.8 | -85.9 | 0 | 0 | 0 | 110.1 | I137 V138 E139 G143 K144 R149 P150 H152 F154 A155 Y193 | I137-Y141 HydrophobicContact CG2-CD2 3.62Å; I137-Y141 HydrophobicContact CG2-CE2 3.67Å; I137-Y141 VanDerWaalsContact O-CD2 3.27Å; I137-Y141 WeakPolarHBondContact O-CD2 3.44Å; I137-Y141 PolarHBondContact O-N 2.8Å; V138-Y141 PolarHBondContact O-N 2.77Å; V138-Y141 VanDerWaalsContact O-N 3.08Å; E139-Y141 PolarHBondContact O-N 3.34Å; Y141-G143 PolarHBondContact O-N 3.38Å; Y141-G143 VanDerWaalsContact O-N 3.15Å; Y141-K144 PolarHBondContact O-N 2.43Å; Y141-K144 VanDerWaalsContact O-N 3.1Å; Y141-R149 HydrophobicContact CD1-CB 3.78Å; Y141-R149 HydrophobicContact CD1-CG 4.19Å; Y141-R149 HydrophobicContact CE1-CB 3.43Å; Y141-R149 VanDerWaalsContact CE1-CB 3.43Å; Y141-R149 HydrophobicContact CE1-CG 4.3Å; Y141-P150 VanDerWaalsContact CE1-O 3.24Å; Y141-P150 WeakPolarHBondContact CE1-O 3.07Å; Y141-P150 VanDerWaalsContact OH-CG 3.3Å; Y141-P150 WeakPolarHBondContact OH-CG 2.94Å; Y141-P150 PolarHBondContact OH-O 1.23Å; Y141-H152 HydrophobicContact CD1-CB 4.38Å; Y141-H152 HydrophobicContact CE1-CB 3.51Å; Y141-H152 HydrophobicContact CE2-CB 3.93Å; Y141-H152 AromaticContact CE2-CG 4Å; Y141-H152 AromaticContact CZ-CG 3.83Å; Y141-H152 WeakPolarHBondContact OH-CB 3.16Å; Y141-F154 HydrophobicContact CD1-CB 4.38Å; Y141-F154 HydrophobicContact CD2-CB 4.29Å; Y141-F154 HydrophobicContact CD2-CD2 4.36Å; Y141-F154 HydrophobicContact CG-CB 3.94Å; Y141-A155 HydrophobicContact CD1-CB 3.9Å; Y141-A155 HydrophobicContact CE1-CB 3.93Å; Y141-Y193 PolarHBondContact O-OH 2.85Å |
| 142 | K | 88.6 | Confident | 84.4 | Confident | 95 Ų | 95 | 54 Ų | 54 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 121.7 | -175.4 | -178.2 | -180 | 177.1 | -179.7 | 0 | 109.9 | V138 E139 K144 Y193 V197 | V138-K142 WeakPolarHBondContact O-CB 3.19Å; V138-K142 PolarHBondContact O-N 0.87Å; E139-K142 PolarHBondContact O-N 2.68Å; K142-K144 PolarHBondContact O-N 3.22Å; K142-Y193 WeakPolarHBondContact CA-OH 2.87Å; K142-V197 HydrophobicContact CG-CG1 4.26Å; K142-V197 HydrophobicContact CG-CG2 4.28Å |
| 143 | G | 83.7 | Confident | 84.7 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 52% | 0.515 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 5.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y141 D158 | Y141-G143 PolarHBondContact O-N 3.38Å; Y141-G143 VanDerWaalsContact O-N 3.15Å; G143-D158 PolarHBondContact N-OD1 2.56Å; G143-D158 PolarHBondContact N-OD2 3.35Å |
| 144 | K | 85.2 | Confident | 85 | Confident | 78 Ų | 78 | 52 Ų | 52 | 34% | 0.339 | 25% | 0.253 | S | S | . | . | trans | -95.1 | 149.7 | -178.7 | -58.8 | -66.7 | -177.6 | -176.4 | 0 | 110.7 | W140 Y141 K142 R149 R162 | W140-K144 WeakPolarHBondContact O-CG 3.18Å; Y141-K144 PolarHBondContact O-N 2.43Å; Y141-K144 VanDerWaalsContact O-N 3.1Å; K142-K144 PolarHBondContact O-N 3.22Å; K144-R149 HydrophobicContact CB-CG 3.65Å; K144-R149 HydrophobicContact CG-CG 4.07Å; K144-R162 PolarHBondContact O-NH1 1.41Å; K144-R162 PolarHBondContact O-NH2 2.66Å | ||
| 145 | K | 79.1 | Confident | 85.5 | Confident | 49 Ų | 49 | 49 Ų | 49 | 21% | 0.213 | 24% | 0.237 | C | C | . | . | trans | -79.6 | 163.8 | -177.6 | -65 | -179.7 | -177.6 | 178.7 | 0 | 110.3 | H147 E148 E778 D782 | K145-H147 PolarHBondContact O-N 3.14Å; K145-E148 HydrophobicContact CB-CG 4.08Å; K145-E148 PolarHBondContact O-N 3.28Å; K145-E148 VanDerWaalsContact O-N 3.16Å; K145-E778 VanDerWaalsContact NZ-CB 3.31Å; K145-E778 IonicContact NZ-OE2 3.67Å; K145-D782 IonicContact NZ-OD2 3.73Å; K145-D782 PolarHBondContact NZ-OD2 2.99Å | ||
| 146 | R | 78 | Confident | 86.2 | Confident | 81 Ų | 81 | 45.8 Ų | 45.8 | 31% | 0.306 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -33.5 | -171.2 | -177.6 | 177.6 | 171.9 | -174.8 | 1.1 | 110.9 | Y116 G118 | Y116-R146 HydrophobicContact CD2-CG 4.39Å; Y116-R146 HydrophobicContact CE1-CG 4.15Å; Y116-R146 HydrophobicContact CE2-CG 3.77Å; G118-R146 PolarHBondContact O-NH1 2.71Å; G118-R146 PolarHBondContact O-NH2 2.75Å |
| 147 | H | 75.5 | Confident | 86.6 | Confident | 94 Ų | 94 | 39.4 Ų | 39.4 | 44% | 0.435 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -8.8 | -172.8 | 58 | -79.1 | 0 | 0 | 0 | 110 | K145 R149 A775 | K145-H147 PolarHBondContact O-N 3.14Å; H147-R149 VanDerWaalsContact C-N 3.28Å; H147-A775 VanDerWaalsContact CE1-CB 3.45Å; H147-A775 WeakPolarHBondContact CE1-CB 3.15Å |
| 148 | E | 77.9 | Confident | 86.9 | Confident | 92 Ų | 92 | 38.8 Ų | 38.8 | 43% | 0.43 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -24.7 | -178 | -71.2 | -177.3 | 176.9 | 0 | 0 | 110.6 | K145 | K145-E148 HydrophobicContact CB-CG 4.08Å; K145-E148 PolarHBondContact O-N 3.28Å; K145-E148 VanDerWaalsContact O-N 3.16Å |
| 149 | R | 83.2 | Confident | 87.1 | Confident | 55 Ų | 55 | 39.6 Ų | 39.6 | 21% | 0.208 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -125.3 | 154.9 | -178.3 | -60 | -69.4 | -174.2 | -175.5 | 3.8 | 109.6 | W140 Y141 K144 H147 | W140-R149 VanDerWaalsContact NE1-NH2 3.2Å; W140-R149 PolarHBondContact O-NE 1.05Å; Y141-R149 HydrophobicContact CD1-CB 3.78Å; Y141-R149 HydrophobicContact CD1-CG 4.19Å; Y141-R149 HydrophobicContact CE1-CB 3.43Å; Y141-R149 VanDerWaalsContact CE1-CB 3.43Å; Y141-R149 HydrophobicContact CE1-CG 4.3Å; K144-R149 HydrophobicContact CB-CG 3.65Å; K144-R149 HydrophobicContact CG-CG 4.07Å; H147-R149 VanDerWaalsContact C-N 3.28Å |
| 150 | P | 86.5 | Confident | 87.4 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | trans | -64.8 | 160.5 | -178.7 | 21.4 | -27.5 | 0 | 0 | 0 | 112 | L16 W140 Y141 H152 | L16-P150 HydrophobicContact CB-CG 4.39Å; W140-P150 HydrophobicContact CH2-CG 3.67Å; W140-P150 HydrophobicContact CZ3-CG 3.92Å; Y141-P150 VanDerWaalsContact CE1-O 3.24Å; Y141-P150 WeakPolarHBondContact CE1-O 3.07Å; Y141-P150 VanDerWaalsContact OH-CG 3.3Å; Y141-P150 WeakPolarHBondContact OH-CG 2.94Å; Y141-P150 PolarHBondContact OH-O 1.23Å; P150-H152 PolarHBondContact O-N 3.09Å | ||
| 151 | P | 90.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -58.6 | 131.3 | -178.3 | -22.6 | 31.6 | 0 | 0 | 0 | 111.8 | K87 Y114 Y116 | K87-P151 HydrophobicContact CB-CG 3.79Å; K87-P151 HydrophobicContact CG-CG 4.38Å; K87-P151 WeakPolarHBondContact O-CG 2.78Å; Y114-P151 WeakPolarHBondContact CB-O 3.34Å; Y114-P151 VanDerWaalsContact O-CB 3.32Å; Y114-P151 WeakPolarHBondContact O-CB 3.38Å; Y116-P151 HydrophobicContact CD1-CB 4.21Å; Y116-P151 HydrophobicContact CD2-CB 3.74Å; Y116-P151 HydrophobicContact CD2-CG 3.44Å; Y116-P151 VanDerWaalsContact CD2-CG 3.44Å; Y116-P151 HydrophobicContact CE1-CB 4.15Å; Y116-P151 VanDerWaalsContact CE2-CA 3.42Å; Y116-P151 HydrophobicContact CE2-CB 3.67Å; Y116-P151 HydrophobicContact CE2-CG 3.64Å; Y116-P151 HydrophobicContact CG-CB 4.02Å; Y116-P151 HydrophobicContact CG-CG 4.04Å; Y116-P151 VanDerWaalsContact CZ-CA 3.45Å |
| 152 | H | 92.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -162 | 158.5 | -179.4 | -167.5 | -80.5 | 0 | 0 | 0 | 109.2 | I132 Y133 Y141 P150 F154 A155 I156 | I132-H152 PolarHBondContact O-NE2 3.41Å; Y133-H152 AromaticContact CD1-CE1 3.99Å; Y133-H152 AromaticContact CE1-CE1 3.95Å; Y133-H152 AromaticContact CE1-NE2 3.9Å; Y141-H152 HydrophobicContact CD1-CB 4.38Å; Y141-H152 HydrophobicContact CE1-CB 3.51Å; Y141-H152 HydrophobicContact CE2-CB 3.93Å; Y141-H152 AromaticContact CE2-CG 4Å; Y141-H152 AromaticContact CZ-CG 3.83Å; Y141-H152 WeakPolarHBondContact OH-CB 3.16Å; P150-H152 PolarHBondContact O-N 3.09Å; H152-F154 AromaticContact CE1-CD1 3.78Å; H152-F154 AromaticContact CE1-CD2 3.2Å; H152-F154 WeakPolarHBondContact CE1-CD2 2.95Å; H152-F154 AromaticContact CE1-CE2 3.52Å; H152-F154 AromaticContact CE1-CG 3.35Å; H152-F154 WeakPolarHBondContact CE1-CG 3.37Å; H152-F154 AromaticContact CE1-CZ 3.94Å; H152-F154 WeakPolarHBondContact ND1-CB 3.37Å; H152-F154 AromaticContact ND1-CD1 3.98Å; H152-F154 AromaticContact ND1-CD2 3.55Å; H152-F154 AromaticContact ND1-CG 3.36Å; H152-F154 WeakPolarHBondContact ND1-CG 3.4Å; H152-F154 PolarHBondContact ND1-N 2.33Å; H152-F154 PolarHBondContact O-N 2.33Å; H152-A155 WeakPolarHBondContact O-CB 3.48Å; H152-A155 PolarHBondContact O-N 3.44Å; H152-A155 VanDerWaalsContact O-N 3.1Å; H152-I156 PolarHBondContact O-N 3.29Å | ||
| 153 | I | 93.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.5 | -29.8 | -178.3 | -170.2 | 66.3 | 0 | 0 | 0 | 109.9 | Y114 Y133 A155 I156 A157 K189 V190 V675 | Y114-I153 HydrophobicContact CD1-CB 4.47Å; Y114-I153 HydrophobicContact CE1-CB 3.81Å; Y133-I153 HydrophobicContact CE1-CG2 4.29Å; I153-A155 PolarHBondContact O-N 2.84Å; I153-I156 HydrophobicContact CD1-CD1 4.3Å; I153-I156 PolarHBondContact O-N 3.4Å; I153-A157 PolarHBondContact O-N 3.29Å; I153-K189 HydrophobicContact CG2-CB 4.05Å; I153-V190 HydrophobicContact CD1-CG2 3.84Å; I153-V190 HydrophobicContact CG1-CG2 3.39Å; I153-V675 HydrophobicContact CD1-CG1 4.24Å; I153-V675 HydrophobicContact CD1-CG2 3.88Å |
| 154 | F | 93.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.9 | -32 | 178.6 | -69 | -19.7 | 0 | 0 | 0 | 110.1 | Y133 I137 V138 Y141 H152 I156 A157 D158 K189 Y193 | Y133-F154 HydrophobicContact CD1-CE1 4.46Å; Y133-F154 HydrophobicContact CD1-CE2 4.32Å; Y133-F154 AromaticContact CD1-CZ 3.85Å; Y133-F154 HydrophobicContact CD1-CZ 3.85Å; I137-F154 HydrophobicContact CG2-CD2 4Å; I137-F154 HydrophobicContact CG2-CE2 4.13Å; V138-F154 HydrophobicContact CG2-CD2 4.39Å; V138-F154 HydrophobicContact CG2-CE2 3.86Å; V138-F154 HydrophobicContact CG2-CZ 4.2Å; Y141-F154 HydrophobicContact CD1-CB 4.38Å; Y141-F154 HydrophobicContact CD2-CB 4.29Å; Y141-F154 HydrophobicContact CD2-CD2 4.36Å; Y141-F154 HydrophobicContact CG-CB 3.94Å; H152-F154 AromaticContact CE1-CD1 3.78Å; H152-F154 AromaticContact CE1-CD2 3.2Å; H152-F154 WeakPolarHBondContact CE1-CD2 2.95Å; H152-F154 AromaticContact CE1-CE2 3.52Å; H152-F154 AromaticContact CE1-CG 3.35Å; H152-F154 WeakPolarHBondContact CE1-CG 3.37Å; H152-F154 AromaticContact CE1-CZ 3.94Å; H152-F154 WeakPolarHBondContact ND1-CB 3.37Å; H152-F154 AromaticContact ND1-CD1 3.98Å; H152-F154 AromaticContact ND1-CD2 3.55Å; H152-F154 AromaticContact ND1-CG 3.36Å; H152-F154 WeakPolarHBondContact ND1-CG 3.4Å; H152-F154 PolarHBondContact ND1-N 2.33Å; H152-F154 PolarHBondContact O-N 2.33Å; F154-I156 VanDerWaalsContact C-N 3.32Å; F154-A157 PolarHBondContact O-N 2.95Å; F154-D158 VanDerWaalsContact O-CB 3.23Å; F154-D158 WeakPolarHBondContact O-CB 3.09Å; F154-D158 PolarHBondContact O-N 3.5Å; F154-K189 HydrophobicContact CE1-CB 4.21Å; F154-K189 VanDerWaalsContact CE1-O 3.29Å; F154-K189 WeakPolarHBondContact CE1-O 2.5Å; F154-Y193 HydrophobicContact CB-CD2 3.51Å; F154-Y193 HydrophobicContact CB-CE2 3.59Å; F154-Y193 HydrophobicContact CB-CG 4.16Å; F154-Y193 AromaticContact CD1-CD2 3.43Å; F154-Y193 HydrophobicContact CD1-CD2 3.43Å; F154-Y193 VanDerWaalsContact CD1-CD2 3.43Å; F154-Y193 HydrophobicContact CD1-CE2 4.39Å; F154-Y193 AromaticContact CD1-CG 3.63Å; F154-Y193 HydrophobicContact CD1-CG 3.63Å; F154-Y193 AromaticContact CD2-CD2 3.97Å; F154-Y193 HydrophobicContact CD2-CD2 3.97Å; F154-Y193 HydrophobicContact CD2-CE2 4.45Å; F154-Y193 HydrophobicContact CE1-CD2 4.11Å; F154-Y193 HydrophobicContact CE1-CG 4.27Å; F154-Y193 AromaticContact CG-CD2 3.35Å; F154-Y193 HydrophobicContact CG-CD2 3.35Å; F154-Y193 AromaticContact CG-CE2 3.92Å; F154-Y193 HydrophobicContact CG-CE2 3.92Å; F154-Y193 HydrophobicContact CG-CG 4.01Å |
| 155 | A | 91.8 | Very high | 88.2 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 6% | 0.058 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.6 | -39.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y116 Y141 H152 I153 A157 D158 G159 | Y116-A155 WeakPolarHBondContact OH-CB 3.22Å; Y141-A155 HydrophobicContact CD1-CB 3.9Å; Y141-A155 HydrophobicContact CE1-CB 3.93Å; H152-A155 WeakPolarHBondContact O-CB 3.48Å; H152-A155 PolarHBondContact O-N 3.44Å; H152-A155 VanDerWaalsContact O-N 3.1Å; I153-A155 PolarHBondContact O-N 2.84Å; A155-A157 VanDerWaalsContact C-N 3.31Å; A155-D158 PolarHBondContact O-N 3.34Å; A155-G159 PolarHBondContact O-N 2.83Å |
| 156 | I | 92.1 | Very high | 88.5 | Confident | 21 Ų | 21 | 32.8 Ų | 32.8 | 11% | 0.108 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.2 | -41.2 | 178.2 | -64.5 | 178.5 | 0 | 0 | 0 | 109.9 | Y116 C121 H152 I153 F154 D158 G159 A160 N673 V675 | Y116-I156 HydrophobicContact CE1-CG1 4.36Å; C121-I156 HydrophobicContact CB-CD1 3.04Å; C121-I156 HydrophobicContact CB-CG1 4.21Å; H152-I156 PolarHBondContact O-N 3.29Å; I153-I156 HydrophobicContact CD1-CD1 4.3Å; I153-I156 PolarHBondContact O-N 3.4Å; F154-I156 VanDerWaalsContact C-N 3.32Å; I156-D158 VanDerWaalsContact C-N 3.29Å; I156-D158 PolarHBondContact O-N 2.86Å; I156-G159 PolarHBondContact O-N 3.04Å; I156-A160 PolarHBondContact O-N 3.46Å; I156-N673 HydrophobicContact CG2-CB 4.26Å; I156-V675 HydrophobicContact CD1-CG2 3.61Å; I156-V675 HydrophobicContact CG2-CG2 4.31Å |
| 157 | A | 93.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I153 F154 A155 G159 A160 Y161 V190 Y193 | I153-A157 PolarHBondContact O-N 3.29Å; F154-A157 PolarHBondContact O-N 2.95Å; A155-A157 VanDerWaalsContact C-N 3.31Å; A157-G159 VanDerWaalsContact C-N 3.31Å; A157-A160 PolarHBondContact O-N 2.41Å; A157-Y161 WeakPolarHBondContact O-CB 3.16Å; A157-Y161 PolarHBondContact O-N 2.72Å; A157-V190 HydrophobicContact CB-CG1 4.08Å; A157-Y193 HydrophobicContact CB-CD1 3.55Å; A157-Y193 HydrophobicContact CB-CE1 4.1Å; A157-Y193 HydrophobicContact CB-CG 4.25Å |
| 158 | D | 92.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.1 | -39.9 | -180 | -168.4 | 69 | 0 | 0 | 0 | 110.6 | G143 F154 A155 I156 A160 Y161 R162 Y193 | G143-D158 PolarHBondContact N-OD1 2.56Å; G143-D158 PolarHBondContact N-OD2 3.35Å; F154-D158 VanDerWaalsContact O-CB 3.23Å; F154-D158 WeakPolarHBondContact O-CB 3.09Å; F154-D158 PolarHBondContact O-N 3.5Å; A155-D158 PolarHBondContact O-N 3.34Å; I156-D158 VanDerWaalsContact C-N 3.29Å; I156-D158 PolarHBondContact O-N 2.86Å; D158-A160 VanDerWaalsContact C-N 3.28Å; D158-A160 PolarHBondContact O-N 3Å; D158-Y161 PolarHBondContact O-N 3.29Å; D158-R162 WeakPolarHBondContact O-CB 3.18Å; D158-R162 WeakPolarHBondContact O-CG 3.38Å; D158-R162 PolarHBondContact O-N 3.16Å; D158-R162 IonicContact OD2-CZ 3.29Å; D158-R162 IonicContact OD2-NE 3.62Å; D158-R162 PolarHBondContact OD2-NE 3Å; D158-R162 IonicContact OD2-NH2 3.65Å; D158-R162 PolarHBondContact OD2-NH2 2.7Å; D158-Y193 HydrophobicContact CB-CE1 3.73Å; D158-Y193 WeakPolarHBondContact CB-OH 2.06Å; D158-Y193 PolarHBondContact OD1-OH 3.45Å |
| 159 | G | 89.6 | Confident | 89.7 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 24% | 0.237 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A155 I156 A157 Y161 S163 | A155-G159 PolarHBondContact O-N 2.83Å; I156-G159 PolarHBondContact O-N 3.04Å; A157-G159 VanDerWaalsContact C-N 3.31Å; G159-Y161 VanDerWaalsContact C-N 3.32Å; G159-S163 VanDerWaalsContact O-CB 3.29Å; G159-S163 WeakPolarHBondContact O-CB 3.13Å; G159-S163 PolarHBondContact O-N 3.39Å; G159-S163 PolarHBondContact O-OG 2.49Å |
| 160 | A | 91.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.6 | -39.8 | -180 | 0 | 0 | 0 | 0 | 0 | 110.7 | I156 A157 D158 S163 M164 Q171 I173 | I156-A160 PolarHBondContact O-N 3.46Å; A157-A160 PolarHBondContact O-N 2.41Å; D158-A160 VanDerWaalsContact C-N 3.28Å; D158-A160 PolarHBondContact O-N 3Å; A160-S163 PolarHBondContact O-N 3.27Å; A160-M164 WeakPolarHBondContact O-CB 3.41Å; A160-M164 PolarHBondContact O-N 3.08Å; A160-Q171 HydrophobicContact CB-CB 4.28Å; A160-Q171 WeakPolarHBondContact O-CG 3.4Å; A160-I173 HydrophobicContact CB-CD1 4.07Å; A160-I173 HydrophobicContact CB-CG1 4.21Å |
| 161 | Y | 93 | Very high | 90.5 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 9% | 0.09 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | -179.6 | 176.4 | -114.3 | 0 | 0 | 0 | 110.4 | A157 D158 G159 M164 L165 L194 V197 A198 F255 G259 | A157-Y161 WeakPolarHBondContact O-CB 3.16Å; A157-Y161 PolarHBondContact O-N 2.72Å; D158-Y161 PolarHBondContact O-N 3.29Å; G159-Y161 VanDerWaalsContact C-N 3.32Å; Y161-M164 HydrophobicContact CD2-CE 3.88Å; Y161-M164 HydrophobicContact CE2-CE 3.98Å; Y161-M164 WeakPolarHBondContact O-CB 2.93Å; Y161-M164 PolarHBondContact O-N 3.32Å; Y161-L165 HydrophobicContact CD1-CD1 4.08Å; Y161-L165 HydrophobicContact CE1-CD1 3.53Å; Y161-L165 HydrophobicContact CE2-CD1 4.27Å; Y161-L165 HydrophobicContact CE2-CG 4.48Å; Y161-L165 WeakPolarHBondContact O-CG 3.07Å; Y161-L165 PolarHBondContact O-N 2.55Å; Y161-L194 HydrophobicContact CD2-CD2 4.34Å; Y161-L194 HydrophobicContact CG-CD2 4.42Å; Y161-V197 HydrophobicContact CD1-CG1 4.38Å; Y161-V197 HydrophobicContact CE1-CG1 4.1Å; Y161-A198 HydrophobicContact CE2-CB 4.12Å; Y161-F255 AromaticContact CD2-CE1 3.98Å; Y161-F255 HydrophobicContact CD2-CE1 3.98Å; Y161-F255 HydrophobicContact CD2-CZ 4.2Å; Y161-F255 AromaticContact CE2-CD1 3.96Å; Y161-F255 HydrophobicContact CE2-CD1 3.96Å; Y161-F255 AromaticContact CE2-CE1 3.72Å; Y161-F255 HydrophobicContact CE2-CE1 3.72Å; Y161-F255 HydrophobicContact CE2-CZ 4.39Å; Y161-G259 WeakPolarHBondContact CE2-O 3.05Å; Y161-G259 PolarHBondContact OH-O 2.77Å |
| 162 | R | 90 | Very high | 90.7 | Very high | 66 Ų | 66 | 39.7 Ų | 39.7 | 25% | 0.249 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.3 | 0 | -179.9 | -76.4 | -170.4 | -77.7 | 174.2 | 0.3 | 111 | K144 D158 M164 L165 Q166 | K144-R162 PolarHBondContact O-NH1 1.41Å; K144-R162 PolarHBondContact O-NH2 2.66Å; D158-R162 WeakPolarHBondContact O-CB 3.18Å; D158-R162 WeakPolarHBondContact O-CG 3.38Å; D158-R162 PolarHBondContact O-N 3.16Å; D158-R162 IonicContact OD2-CZ 3.29Å; D158-R162 IonicContact OD2-NE 3.62Å; D158-R162 PolarHBondContact OD2-NE 3Å; D158-R162 IonicContact OD2-NH2 3.65Å; D158-R162 PolarHBondContact OD2-NH2 2.7Å; R162-M164 PolarHBondContact O-N 2.6Å; R162-L165 PolarHBondContact O-N 3.34Å; R162-Q166 WeakPolarHBondContact O-CB 3.42Å; R162-Q166 PolarHBondContact O-N 3.1Å |
| 163 | S | 87.8 | Confident | 90.9 | Very high | 40 Ų | 40 | 39.7 Ų | 39.7 | 28% | 0.28 | 19% | 0.191 | S | C | . | . | H | α-helix | 0 | -37.5 | 0 | -67.6 | 0 | 0 | 0 | 0 | 111.1 | G159 A160 L165 Q166 D167 | G159-S163 VanDerWaalsContact O-CB 3.29Å; G159-S163 WeakPolarHBondContact O-CB 3.13Å; G159-S163 PolarHBondContact O-N 3.39Å; G159-S163 PolarHBondContact O-OG 2.49Å; A160-S163 PolarHBondContact O-N 3.27Å; S163-L165 VanDerWaalsContact C-N 3.31Å; S163-L165 PolarHBondContact O-N 2.48Å; S163-Q166 PolarHBondContact O-N 2.93Å; S163-D167 VanDerWaalsContact O-CB 3.23Å; S163-D167 WeakPolarHBondContact O-CB 3.45Å; S163-D167 PolarHBondContact O-N 2.79Å | |
| 164 | M | 91.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -39.5 | 178.3 | 179.1 | -167.4 | 70 | 0 | 0 | 110.5 | A160 Y161 R162 Q166 R168 Q171 F255 S458 V460 | A160-M164 WeakPolarHBondContact O-CB 3.41Å; A160-M164 PolarHBondContact O-N 3.08Å; Y161-M164 HydrophobicContact CD2-CE 3.88Å; Y161-M164 HydrophobicContact CE2-CE 3.98Å; Y161-M164 WeakPolarHBondContact O-CB 2.93Å; Y161-M164 PolarHBondContact O-N 3.32Å; R162-M164 PolarHBondContact O-N 2.6Å; M164-Q166 VanDerWaalsContact C-N 3.34Å; M164-R168 VanDerWaalsContact O-CA 3.28Å; M164-R168 WeakPolarHBondContact O-CA 3.33Å; M164-R168 PolarHBondContact O-N 3.49Å; M164-Q171 HydrophobicContact CB-CG 3.72Å; M164-F255 HydrophobicContact CE-CB 3.74Å; M164-F255 HydrophobicContact CE-CD1 3.95Å; M164-F255 HydrophobicContact CE-CD2 3.41Å; M164-F255 VanDerWaalsContact CE-CD2 3.41Å; M164-F255 HydrophobicContact CE-CE1 4.42Å; M164-F255 HydrophobicContact CE-CE2 3.95Å; M164-F255 HydrophobicContact CE-CG 3.42Å; M164-F255 VanDerWaalsContact CE-CG 3.42Å; M164-F255 HydrophobicContact CE-CZ 4.41Å; M164-F255 HydrophobicContact SD-CB 4.22Å; M164-F255 HydrophobicContact SD-CD2 3.28Å; M164-F255 WeakPolarHBondContact SD-CD2 3.18Å; M164-F255 HydrophobicContact SD-CE2 3.81Å; M164-F255 HydrophobicContact SD-CG 3.92Å; M164-S458 PolarHBondContact SD-OG 2.24Å; M164-V460 HydrophobicContact SD-CG2 3.6Å |
| 165 | L | 88.7 | Confident | 90.7 | Very high | 73 Ų | 73 | 39.8 Ų | 39.8 | 38% | 0.382 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -73.1 | -30.2 | -177.7 | -68.4 | 175.3 | 0 | 0 | 0 | 110.7 | Y161 R162 S163 G259 | Y161-L165 HydrophobicContact CD1-CD1 4.08Å; Y161-L165 HydrophobicContact CE1-CD1 3.53Å; Y161-L165 HydrophobicContact CE2-CD1 4.27Å; Y161-L165 HydrophobicContact CE2-CG 4.48Å; Y161-L165 WeakPolarHBondContact O-CG 3.07Å; Y161-L165 PolarHBondContact O-N 2.55Å; R162-L165 PolarHBondContact O-N 3.34Å; S163-L165 VanDerWaalsContact C-N 3.31Å; S163-L165 PolarHBondContact O-N 2.48Å; L165-G259 VanDerWaalsContact CD2-CA 3.46Å |
| 166 | Q | 85.5 | Confident | 90.5 | Very high | 102 Ų | 102 | 39.8 Ų | 39.8 | 48% | 0.477 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -84.9 | 0 | -175.3 | -174.4 | 176.1 | -1.7 | 0 | 0 | 110.6 | R162 S163 M164 R726 | R162-Q166 WeakPolarHBondContact O-CB 3.42Å; R162-Q166 PolarHBondContact O-N 3.1Å; S163-Q166 PolarHBondContact O-N 2.93Å; M164-Q166 VanDerWaalsContact C-N 3.34Å; Q166-R726 VanDerWaalsContact NE2-NH1 3.17Å; Q166-R726 CovalentContact NE2-NH2 1.75Å |
| 167 | D | 83.8 | Confident | 90.1 | Very high | 80 Ų | 80 | 39 Ų | 39 | 43% | 0.428 | 19% | 0.188 | S | C | . | . | H | α-helix | 0 | -11 | 0 | -64.1 | -19 | 0 | 0 | 0 | 111 | S163 E169 | S163-D167 VanDerWaalsContact O-CB 3.23Å; S163-D167 WeakPolarHBondContact O-CB 3.45Å; S163-D167 PolarHBondContact O-N 2.79Å; D167-E169 HydrophobicContact CB-CB 4.25Å; D167-E169 HydrophobicContact CB-CG 4.34Å; D167-E169 PolarHBondContact O-N 3.29Å; D167-E169 VanDerWaalsContact O-N 3.13Å | |
| 168 | R | 85.6 | Confident | 89.5 | Confident | 226 Ų | 226 | 40.5 Ų | 40.5 | 85% | 0.853 | 20% | 0.195 | S | C | * | . | trans | 51.4 | 31 | -175.5 | -63.5 | -170.5 | -178.5 | -173 | -0.6 | 111 | M164 | M164-R168 VanDerWaalsContact O-CA 3.28Å; M164-R168 WeakPolarHBondContact O-CA 3.33Å; M164-R168 PolarHBondContact O-N 3.49Å | ||
| 169 | E | 87.3 | Confident | 88.9 | Confident | 119 Ų | 119 | 40.5 Ų | 40.5 | 56% | 0.556 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -117.1 | 151.9 | 174.2 | -70.4 | -176.1 | 174.5 | 0 | 0 | 109.4 | D167 Q171 | D167-E169 HydrophobicContact CB-CB 4.25Å; D167-E169 HydrophobicContact CB-CG 4.34Å; D167-E169 PolarHBondContact O-N 3.29Å; D167-E169 VanDerWaalsContact O-N 3.13Å; E169-Q171 PolarHBondContact O-NE2 2.79Å |
| 170 | D | 92.4 | Very high | 88.4 | Confident | 47 Ų | 47 | 39.7 Ų | 39.7 | 25% | 0.251 | 19% | 0.187 | S | C | . | . | trans | -72.5 | 144.8 | -178.5 | -62.9 | -27.7 | 0 | 0 | 0 | 110.6 | S458 F459 T670 S671 | D170-S458 VanDerWaalsContact OD1-CA 3.24Å; D170-S458 WeakPolarHBondContact OD1-CA 2.97Å; D170-F459 WeakPolarHBondContact CA-O 3.43Å; D170-F459 HydrophobicContact CB-CD1 3.75Å; D170-F459 HydrophobicContact CB-CE1 3.45Å; D170-F459 VanDerWaalsContact CB-CE1 3.45Å; D170-F459 HydrophobicContact CB-CE2 4.31Å; D170-F459 HydrophobicContact CB-CG 4.31Å; D170-F459 HydrophobicContact CB-CZ 3.76Å; D170-F459 WeakPolarHBondContact OD1-CD1 3.19Å; D170-F459 PolarHBondContact OD1-N 3.37Å; D170-F459 WeakPolarHBondContact OD2-CD1 3.16Å; D170-F459 WeakPolarHBondContact OD2-CE1 1.61Å; D170-T670 HydrophobicContact CB-CG2 3.88Å; D170-S671 PolarHBondContact O-N 2.92Å | ||
| 171 | Q | 94 | Very high | 88 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 156.8 | -178.5 | -56.1 | -66.5 | -44.2 | 0 | 0 | 110 | A160 M164 E169 F459 V460 G461 S671 | A160-Q171 HydrophobicContact CB-CB 4.28Å; A160-Q171 WeakPolarHBondContact O-CG 3.4Å; M164-Q171 HydrophobicContact CB-CG 3.72Å; E169-Q171 PolarHBondContact O-NE2 2.79Å; Q171-F459 PolarHBondContact N-O 2.43Å; Q171-F459 VanDerWaalsContact N-O 3.15Å; Q171-V460 HydrophobicContact CB-CG2 4.27Å; Q171-V460 CarbonylContact O-C 3.3Å; Q171-V460 VanDerWaalsContact O-CA 3.23Å; Q171-V460 WeakPolarHBondContact O-CA 1.9Å; Q171-G461 PolarHBondContact O-N 2.96Å; Q171-S671 PolarHBondContact OE1-O 2.32Å; Q171-S671 PolarHBondContact OE1-OG 3.5Å |
| 172 | S | 94.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 139 | 175 | 57 | 0 | 0 | 0 | 0 | 109.7 | L174 G461 T670 S671 P672 N673 | S172-L174 WeakPolarHBondContact OG-CD1 2.46Å; S172-G461 CarbonylContact C-O 3.58Å; S172-G461 WeakPolarHBondContact CA-O 1.71Å; S172-T670 VanDerWaalsContact CB-OG1 3.25Å; S172-T670 WeakPolarHBondContact CB-OG1 3.5Å; S172-T670 PolarHBondContact OG-OG1 2.29Å; S172-S671 PolarHBondContact N-O 3.48Å; S172-P672 CarbonylContact O-C 3.26Å; S172-P672 WeakPolarHBondContact OG-CA 3.1Å; S172-N673 WeakPolarHBondContact O-CA 3.26Å; S172-N673 WeakPolarHBondContact O-CB 3.32Å; S172-N673 PolarHBondContact O-N 2.96Å; S172-N673 PolarHBondContact O-ND2 3.22Å |
| 173 | I | 95.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121.2 | 175 | -61.1 | 174 | 0 | 0 | 0 | 108.9 | A160 V190 V460 G461 I462 L463 N673 V675 | A160-I173 HydrophobicContact CB-CD1 4.07Å; A160-I173 HydrophobicContact CB-CG1 4.21Å; I173-V190 HydrophobicContact CD1-CG1 3.8Å; I173-V460 HydrophobicContact CD1-CG1 4.41Å; I173-G461 PolarHBondContact N-O 2.41Å; I173-I462 WeakPolarHBondContact O-CA 3.43Å; I173-L463 PolarHBondContact O-N 2.26Å; I173-N673 CarbonylContact C-O 3.27Å; I173-N673 WeakPolarHBondContact CA-O 3.36Å; I173-N673 HydrophobicContact CG1-CB 4.11Å; I173-V675 HydrophobicContact CG2-CG2 4.19Å |
| 174 | L | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 117.3 | -176.1 | -73.4 | 78.3 | 0 | 0 | 0 | 109 | S172 T176 L463 L488 L491 L667 P672 N673 F674 V675 | S172-L174 WeakPolarHBondContact OG-CD1 2.46Å; L174-T176 HydrophobicContact CB-CG2 4.46Å; L174-L463 HydrophobicContact CD2-CD2 3.98Å; L174-L463 HydrophobicContact CG-CB 4.21Å; L174-L463 HydrophobicContact CG-CD2 4.15Å; L174-L488 HydrophobicContact CD2-CD2 4.27Å; L174-L491 HydrophobicContact CD2-CD2 4.03Å; L174-L667 HydrophobicContact CD1-CD2 4.32Å; L174-L667 HydrophobicContact CD2-CD1 4.02Å; L174-L667 HydrophobicContact CD2-CD2 4.49Å; L174-L667 HydrophobicContact CG-CD2 4.48Å; L174-P672 HydrophobicContact CD1-CB 4.04Å; L174-N673 PolarHBondContact N-O 1.94Å; L174-F674 HydrophobicContact CB-CD1 4.07Å; L174-F674 HydrophobicContact CB-CE1 4.36Å; L174-F674 HydrophobicContact CD2-CE1 3.95Å; L174-V675 PolarHBondContact O-N 2.53Å |
| 175 | C | 91 | Very high | 87.2 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 112 | 175.2 | -61 | 0 | 0 | 0 | 0 | 110 | K183 L463 V675 | C175-K183 HydrophobicContact CB-CB 4.39Å; C175-L463 PolarHBondContact N-O 2.22Å; C175-V675 WeakPolarHBondContact CA-O 2.22Å |
| 176 | T | 88 | Confident | 87.3 | Confident | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 154.1 | -175.5 | 60.6 | 0 | 0 | 0 | 0 | 109.1 | L174 V675 R676 C677 | L174-T176 HydrophobicContact CB-CG2 4.46Å; T176-V675 PolarHBondContact N-O 3.33Å; T176-R676 WeakPolarHBondContact OG1-CD 2.36Å; T176-R676 PolarHBondContact OG1-NE 2.52Å; T176-R676 VanDerWaalsContact OG1-NE 3.13Å; T176-R676 PolarHBondContact OG1-NH1 3.46Å; T176-C677 WeakPolarHBondContact O-CB 3.37Å; T176-C677 PolarHBondContact O-N 3.44Å |
| 177 | G | 83.3 | Confident | 87.6 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.7 | 166.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | K183 G467 C677 | G177-K183 PolarHBondContact O-NZ 2.32Å; G177-G467 VanDerWaalsContact O-CA 3.24Å; G177-G467 WeakPolarHBondContact O-CA 2.36Å; G177-C677 WeakPolarHBondContact CA-O 3.13Å |
| 178 | E | 81 | Confident | 87.8 | Confident | 31 Ų | 31 | 30.6 Ų | 30.6 | 15% | 0.145 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -65 | 162.3 | 177.2 | -67.8 | -173.8 | -177.9 | 0 | 0 | 110.5 | G180 S181 K183 Q697 | E178-G180 PolarHBondContact O-N 3.4Å; E178-S181 VanDerWaalsContact O-CB 3.23Å; E178-S181 WeakPolarHBondContact O-CB 3.23Å; E178-S181 PolarHBondContact O-N 2.51Å; E178-S181 PolarHBondContact O-OG 3.27Å; E178-K183 VanDerWaalsContact C-NZ 3.32Å; E178-K183 PolarHBondContact O-NZ 3.35Å; E178-Q697 WeakPolarHBondContact OE1-CG 0.89Å |
| 179 | S | 78.8 | Confident | 88 | Confident | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 0 | -179.5 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 180 | G | 79 | Confident | 88.2 | Confident | 6 Ų | 6 | 16.4 Ų | 16.4 | 6% | 0.062 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | 0 | 4.6 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | N125 Y127 E178 G182 | N125-G180 PolarHBondContact ND2-O 2.53Å; Y127-G180 PolarHBondContact OH-O 3.4Å; E178-G180 PolarHBondContact O-N 3.4Å; G180-G182 PolarHBondContact O-N 2.88Å | |
| 181 | S | 84.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -83.8 | 0 | -175.1 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | N125 E178 K183 C677 | N125-S181 WeakPolarHBondContact CB-O 2.51Å; E178-S181 VanDerWaalsContact O-CB 3.23Å; E178-S181 WeakPolarHBondContact O-CB 3.23Å; E178-S181 PolarHBondContact O-N 2.51Å; E178-S181 PolarHBondContact O-OG 3.27Å; S181-K183 WeakPolarHBondContact OG-CG 2.23Å; S181-C677 WeakPolarHBondContact OG-CB 3.41Å |
| 182 | G | 86 | Confident | 87.8 | Confident | 12 Ų | 12 | 17.1 Ų | 17.1 | 12% | 0.124 | 9% | 0.087 | C | C | . | . | S | Bend | 0 | 26.7 | 0 | 0 | 0 | 0 | 0 | 0 | 111.2 | G180 N186 | G180-G182 PolarHBondContact O-N 2.88Å; G182-N186 VanDerWaalsContact O-CG 3.32Å; G182-N186 PolarHBondContact O-N 2.58Å; G182-N186 PolarHBondContact O-ND2 3.38Å | |
| 183 | K | 88.2 | Confident | 87.6 | Confident | 13 Ų | 13 | 17.1 Ų | 17.1 | 6% | 0.057 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.6 | -48 | -178.8 | -63.2 | -176.5 | -64.2 | -80.2 | 0 | 110.6 | C175 G177 E178 S181 E185 N186 T187 I465 C677 | C175-K183 HydrophobicContact CB-CB 4.39Å; G177-K183 PolarHBondContact O-NZ 2.32Å; E178-K183 VanDerWaalsContact C-NZ 3.32Å; E178-K183 PolarHBondContact O-NZ 3.35Å; S181-K183 WeakPolarHBondContact OG-CG 2.23Å; K183-E185 PolarHBondContact O-N 2.41Å; K183-N186 PolarHBondContact O-N 3.45Å; K183-T187 PolarHBondContact O-N 2.64Å; K183-T187 PolarHBondContact O-OG1 2.7Å; K183-I465 WeakPolarHBondContact CE-O 2.34Å; K183-C677 HydrophobicContact CG-CB 4.26Å |
| 184 | T | 85.1 | Confident | 87.4 | Confident | 18 Ų | 18 | 17.2 Ų | 17.2 | 11% | 0.11 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.3 | -35.3 | -175 | -59 | 0 | 0 | 0 | 0 | 110.1 | N186 T187 K188 S245 D464 | T184-N186 VanDerWaalsContact C-N 3.3Å; T184-N186 PolarHBondContact O-N 2.56Å; T184-T187 WeakPolarHBondContact O-CB 3.48Å; T184-T187 PolarHBondContact O-N 3.33Å; T184-K188 WeakPolarHBondContact O-CG 3.2Å; T184-K188 PolarHBondContact O-N 3.23Å; T184-K188 VanDerWaalsContact O-N 3.12Å; T184-S245 PolarHBondContact OG1-OG 3.31Å; T184-D464 PolarHBondContact OG1-OD2 3.3Å; T184-D464 VanDerWaalsContact OG1-OD2 3.04Å |
| 185 | E | 86.3 | Confident | 87 | Confident | 97 Ų | 97 | 17.2 Ų | 17.2 | 45% | 0.453 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -69.4 | -37.7 | -179.7 | -68.5 | -60.9 | 137.9 | 0 | 0 | 111.1 | K183 T187 K188 K189 | K183-E185 PolarHBondContact O-N 2.41Å; E185-T187 VanDerWaalsContact C-N 3.27Å; E185-T187 PolarHBondContact O-N 2.85Å; E185-K188 PolarHBondContact O-N 2.69Å; E185-K188 IonicContact OE1-NZ 3.3Å; E185-K189 WeakPolarHBondContact O-CG 1.9Å; E185-K189 PolarHBondContact O-N 3.35Å; E185-K189 VanDerWaalsContact O-N 3.15Å |
| 186 | N | 91.3 | Very high | 86.6 | Confident | 7 Ų | 7 | 19.2 Ų | 19.2 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.1 | -35.2 | 177.8 | -72.6 | -60.7 | 0 | 0 | 0 | 111.7 | Y114 G182 K183 T184 K188 K189 V190 C677 | Y114-N186 WeakPolarHBondContact CE1-OD1 3.46Å; Y114-N186 PolarHBondContact OH-OD1 3.39Å; G182-N186 VanDerWaalsContact O-CG 3.32Å; G182-N186 PolarHBondContact O-N 2.58Å; G182-N186 PolarHBondContact O-ND2 3.38Å; K183-N186 PolarHBondContact O-N 3.45Å; T184-N186 VanDerWaalsContact C-N 3.3Å; T184-N186 PolarHBondContact O-N 2.56Å; N186-K188 VanDerWaalsContact C-N 3.26Å; N186-K188 PolarHBondContact O-N 2.75Å; N186-K189 PolarHBondContact O-N 2.77Å; N186-V190 WeakPolarHBondContact O-CG2 3.46Å; N186-V190 PolarHBondContact O-N 3.31Å; N186-C677 PolarHBondContact ND2-SG 2.5Å; N186-C677 VanDerWaalsContact ND2-SG 3.38Å |
| 187 | T | 90.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 110.3 | K183 T184 E185 K189 V190 I191 I251 I462 | K183-T187 PolarHBondContact O-N 2.64Å; K183-T187 PolarHBondContact O-OG1 2.7Å; T184-T187 WeakPolarHBondContact O-CB 3.48Å; T184-T187 PolarHBondContact O-N 3.33Å; E185-T187 VanDerWaalsContact C-N 3.27Å; E185-T187 PolarHBondContact O-N 2.85Å; T187-K189 PolarHBondContact O-N 2.7Å; T187-V190 WeakPolarHBondContact O-CB 2.84Å; T187-V190 PolarHBondContact O-N 2.71Å; T187-I191 HydrophobicContact CG2-CD1 4.21Å; T187-I191 WeakPolarHBondContact O-CG1 2.95Å; T187-I191 PolarHBondContact O-N 2.64Å; T187-I251 HydrophobicContact CG2-CD1 4.3Å; T187-I462 HydrophobicContact CG2-CB 4.43Å; T187-I462 HydrophobicContact CG2-CG2 3.37Å |
| 188 | K | 88.3 | Confident | 86.4 | Confident | 48 Ų | 48 | 19.5 Ų | 19.5 | 21% | 0.209 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 179.5 | -72.3 | -178.2 | -176.8 | 177.3 | 0 | 110.5 | T184 E185 N186 V190 I191 Q192 E231 | T184-K188 WeakPolarHBondContact O-CG 3.2Å; T184-K188 PolarHBondContact O-N 3.23Å; T184-K188 VanDerWaalsContact O-N 3.12Å; E185-K188 PolarHBondContact O-N 2.69Å; E185-K188 IonicContact OE1-NZ 3.3Å; N186-K188 VanDerWaalsContact C-N 3.26Å; N186-K188 PolarHBondContact O-N 2.75Å; K188-V190 PolarHBondContact O-N 2.8Å; K188-I191 PolarHBondContact O-N 3.44Å; K188-Q192 WeakPolarHBondContact O-CB 3.18Å; K188-Q192 PolarHBondContact O-N 2.94Å; K188-E231 WeakPolarHBondContact CE-OE1 3.15Å; K188-E231 IonicContact NZ-OE1 3.82Å; K188-E231 PolarHBondContact NZ-OE1 2.56Å; K188-E231 IonicContact NZ-OE2 3.5Å; K188-E231 PolarHBondContact NZ-OE2 2.29Å; K188-E231 VanDerWaalsContact NZ-OE2 3.08Å |
| 189 | K | 90.6 | Very high | 86.1 | Confident | 47 Ų | 47 | 20 Ų | 20 | 20% | 0.204 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -71.2 | -33.1 | -178.4 | -64.5 | -56.9 | 177.7 | -176.3 | 0 | 111.3 | Y133 I153 F154 E185 N186 T187 I191 Q192 Y193 | Y133-K189 HydrophobicContact CD1-CB 4.31Å; Y133-K189 HydrophobicContact CD1-CD 3.58Å; Y133-K189 HydrophobicContact CD1-CG 3.83Å; Y133-K189 HydrophobicContact CD2-CD 4.18Å; Y133-K189 HydrophobicContact CE1-CB 4.25Å; Y133-K189 HydrophobicContact CE1-CD 3.96Å; Y133-K189 HydrophobicContact CE1-CG 3.69Å; Y133-K189 HydrophobicContact CG-CD 3.7Å; Y133-K189 HydrophobicContact CG-CG 4.39Å; I153-K189 HydrophobicContact CG2-CB 4.05Å; F154-K189 HydrophobicContact CE1-CB 4.21Å; F154-K189 VanDerWaalsContact CE1-O 3.29Å; F154-K189 WeakPolarHBondContact CE1-O 2.5Å; E185-K189 WeakPolarHBondContact O-CG 1.9Å; E185-K189 PolarHBondContact O-N 3.35Å; E185-K189 VanDerWaalsContact O-N 3.15Å; N186-K189 PolarHBondContact O-N 2.77Å; T187-K189 PolarHBondContact O-N 2.7Å; K189-I191 VanDerWaalsContact C-N 3.31Å; K189-Q192 WeakPolarHBondContact O-CB 1.51Å; K189-Q192 PolarHBondContact O-N 3.34Å; K189-Y193 WeakPolarHBondContact O-CB 1.99Å; K189-Y193 PolarHBondContact O-N 2.93Å |
| 190 | V | 92.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 176.2 | 171.1 | 0 | 0 | 0 | 0 | 109.9 | I153 A157 I173 N186 T187 K188 Q192 Y193 L194 I462 | I153-V190 HydrophobicContact CD1-CG2 3.84Å; I153-V190 HydrophobicContact CG1-CG2 3.39Å; A157-V190 HydrophobicContact CB-CG1 4.08Å; I173-V190 HydrophobicContact CD1-CG1 3.8Å; N186-V190 WeakPolarHBondContact O-CG2 3.46Å; N186-V190 PolarHBondContact O-N 3.31Å; T187-V190 WeakPolarHBondContact O-CB 2.84Å; T187-V190 PolarHBondContact O-N 2.71Å; K188-V190 PolarHBondContact O-N 2.8Å; V190-Q192 PolarHBondContact O-N 2.6Å; V190-Y193 PolarHBondContact O-N 3.39Å; V190-L194 HydrophobicContact CG1-CD1 4.13Å; V190-L194 HydrophobicContact CG1-CG 4.48Å; V190-L194 PolarHBondContact O-N 3.22Å; V190-I462 HydrophobicContact CG1-CD1 3.8Å; V190-I462 HydrophobicContact CG1-CG1 4.36Å |
| 191 | I | 90 | Very high | 84.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.3 | -37.4 | -179.2 | -67.3 | 174.9 | 0 | 0 | 0 | 109.1 | T187 K188 K189 Y193 L194 A195 L223 L224 I251 I462 | T187-I191 HydrophobicContact CG2-CD1 4.21Å; T187-I191 WeakPolarHBondContact O-CG1 2.95Å; T187-I191 PolarHBondContact O-N 2.64Å; K188-I191 PolarHBondContact O-N 3.44Å; K189-I191 VanDerWaalsContact C-N 3.31Å; I191-Y193 PolarHBondContact O-N 2.96Å; I191-L194 PolarHBondContact O-N 3.42Å; I191-A195 VanDerWaalsContact O-CB 3.24Å; I191-A195 WeakPolarHBondContact O-CB 3.08Å; I191-A195 PolarHBondContact O-N 3.21Å; I191-L223 HydrophobicContact CG2-CD2 3.68Å; I191-L223 HydrophobicContact CG2-CG 3.73Å; I191-L224 HydrophobicContact CB-CD2 4.47Å; I191-L224 HydrophobicContact CG2-CD2 3.85Å; I191-I251 HydrophobicContact CD1-CD1 3.4Å; I191-I251 VanDerWaalsContact CD1-CD1 3.4Å; I191-I462 HydrophobicContact CG1-CD1 3.71Å |
| 192 | Q | 87.7 | Confident | 83.2 | Confident | 64 Ų | 64 | 34.1 Ų | 34.1 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 178.8 | -179.4 | -178.3 | 2.5 | 0 | 0 | 110.6 | K188 K189 V190 A195 C196 L224 | K188-Q192 WeakPolarHBondContact O-CB 3.18Å; K188-Q192 PolarHBondContact O-N 2.94Å; K189-Q192 WeakPolarHBondContact O-CB 1.51Å; K189-Q192 PolarHBondContact O-N 3.34Å; V190-Q192 PolarHBondContact O-N 2.6Å; Q192-A195 PolarHBondContact O-N 3.09Å; Q192-C196 PolarHBondContact O-N 3.43Å; Q192-L224 HydrophobicContact CB-CD2 4.09Å |
| 193 | Y | 90.7 | Very high | 81.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -46 | -179.6 | 179.9 | -96.7 | 0 | 0 | 0 | 111.2 | V138 Y141 K142 F154 A157 D158 K189 V190 I191 A195 C196 V197 | V138-Y193 HydrophobicContact CG1-CD2 3.97Å; V138-Y193 HydrophobicContact CG1-CE2 4.01Å; V138-Y193 HydrophobicContact CG2-CD2 4.44Å; Y141-Y193 PolarHBondContact O-OH 2.85Å; K142-Y193 WeakPolarHBondContact CA-OH 2.87Å; F154-Y193 HydrophobicContact CB-CD2 3.51Å; F154-Y193 HydrophobicContact CB-CE2 3.59Å; F154-Y193 HydrophobicContact CB-CG 4.16Å; F154-Y193 AromaticContact CD1-CD2 3.43Å; F154-Y193 HydrophobicContact CD1-CD2 3.43Å; F154-Y193 VanDerWaalsContact CD1-CD2 3.43Å; F154-Y193 HydrophobicContact CD1-CE2 4.39Å; F154-Y193 AromaticContact CD1-CG 3.63Å; F154-Y193 HydrophobicContact CD1-CG 3.63Å; F154-Y193 AromaticContact CD2-CD2 3.97Å; F154-Y193 HydrophobicContact CD2-CD2 3.97Å; F154-Y193 HydrophobicContact CD2-CE2 4.45Å; F154-Y193 HydrophobicContact CE1-CD2 4.11Å; F154-Y193 HydrophobicContact CE1-CG 4.27Å; F154-Y193 AromaticContact CG-CD2 3.35Å; F154-Y193 HydrophobicContact CG-CD2 3.35Å; F154-Y193 AromaticContact CG-CE2 3.92Å; F154-Y193 HydrophobicContact CG-CE2 3.92Å; F154-Y193 HydrophobicContact CG-CG 4.01Å; A157-Y193 HydrophobicContact CB-CD1 3.55Å; A157-Y193 HydrophobicContact CB-CE1 4.1Å; A157-Y193 HydrophobicContact CB-CG 4.25Å; D158-Y193 HydrophobicContact CB-CE1 3.73Å; D158-Y193 WeakPolarHBondContact CB-OH 2.06Å; D158-Y193 PolarHBondContact OD1-OH 3.45Å; K189-Y193 WeakPolarHBondContact O-CB 1.99Å; K189-Y193 PolarHBondContact O-N 2.93Å; V190-Y193 PolarHBondContact O-N 3.39Å; I191-Y193 PolarHBondContact O-N 2.96Å; Y193-A195 VanDerWaalsContact C-N 3.27Å; Y193-A195 PolarHBondContact O-N 3.24Å; Y193-C196 PolarHBondContact O-N 2.98Å; Y193-C196 VanDerWaalsContact O-N 3.13Å; Y193-V197 HydrophobicContact CD1-CG2 4.16Å; Y193-V197 HydrophobicContact CD2-CG2 4.3Å; Y193-V197 HydrophobicContact CE1-CG2 3.77Å; Y193-V197 HydrophobicContact CE2-CG2 3.93Å; Y193-V197 HydrophobicContact CG-CG2 4.42Å; Y193-V197 WeakPolarHBondContact O-CG2 3.46Å; Y193-V197 PolarHBondContact O-N 3.46Å |
| 194 | L | 90 | Very high | 79.4 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.4 | -33.3 | -177.3 | -71.9 | 176.8 | 0 | 0 | 0 | 110.6 | Y161 V190 I191 C196 V197 A198 I253 F255 V460 I462 | Y161-L194 HydrophobicContact CD2-CD2 4.34Å; Y161-L194 HydrophobicContact CG-CD2 4.42Å; V190-L194 HydrophobicContact CG1-CD1 4.13Å; V190-L194 HydrophobicContact CG1-CG 4.48Å; V190-L194 PolarHBondContact O-N 3.22Å; I191-L194 PolarHBondContact O-N 3.42Å; L194-C196 PolarHBondContact O-N 3.12Å; L194-V197 PolarHBondContact O-N 3.28Å; L194-A198 WeakPolarHBondContact O-CB 2.54Å; L194-A198 PolarHBondContact O-N 2.7Å; L194-I253 HydrophobicContact CD1-CD1 3.96Å; L194-F255 HydrophobicContact CD2-CZ 4.47Å; L194-V460 HydrophobicContact CD1-CG1 4.35Å; L194-I462 HydrophobicContact CD1-CD1 4.39Å |
| 195 | A | 85 | Confident | 77.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.8 | -26.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I191 Q192 Y193 T199 E220 | I191-A195 VanDerWaalsContact O-CB 3.24Å; I191-A195 WeakPolarHBondContact O-CB 3.08Å; I191-A195 PolarHBondContact O-N 3.21Å; Q192-A195 PolarHBondContact O-N 3.09Å; Y193-A195 VanDerWaalsContact C-N 3.27Å; Y193-A195 PolarHBondContact O-N 3.24Å; A195-T199 PolarHBondContact O-OG1 3.48Å; A195-E220 HydrophobicContact CB-CB 3.99Å; A195-E220 HydrophobicContact CB-CG 4.11Å |
| 196 | C | 81.9 | Confident | 75.4 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 29% | 0.291 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -84.4 | -37.2 | -178.6 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | V138 Q192 Y193 L194 | V138-C196 HydrophobicContact CG1-CB 4.21Å; Q192-C196 PolarHBondContact O-N 3.43Å; Y193-C196 PolarHBondContact O-N 2.98Å; Y193-C196 VanDerWaalsContact O-N 3.13Å; L194-C196 PolarHBondContact O-N 3.12Å |
| 197 | V | 84.7 | Confident | 72.8 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 11% | 0.109 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -86.2 | -25.6 | -172 | 172.4 | 0 | 0 | 0 | 0 | 109.7 | V138 K142 Y161 Y193 L194 | V138-V197 HydrophobicContact CG1-CG2 4.2Å; K142-V197 HydrophobicContact CG-CG1 4.26Å; K142-V197 HydrophobicContact CG-CG2 4.28Å; Y161-V197 HydrophobicContact CD1-CG1 4.38Å; Y161-V197 HydrophobicContact CE1-CG1 4.1Å; Y193-V197 HydrophobicContact CD1-CG2 4.16Å; Y193-V197 HydrophobicContact CD2-CG2 4.3Å; Y193-V197 HydrophobicContact CE1-CG2 3.77Å; Y193-V197 HydrophobicContact CE2-CG2 3.93Å; Y193-V197 HydrophobicContact CG-CG2 4.42Å; Y193-V197 WeakPolarHBondContact O-CG2 3.46Å; Y193-V197 PolarHBondContact O-N 3.46Å; L194-V197 PolarHBondContact O-N 3.28Å |
| 198 | A | 83.1 | Confident | 70.4 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 0 | -169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y161 L194 F255 F260 I261 | Y161-A198 HydrophobicContact CE2-CB 4.12Å; L194-A198 WeakPolarHBondContact O-CB 2.54Å; L194-A198 PolarHBondContact O-N 2.7Å; A198-F255 HydrophobicContact CB-CD1 4.3Å; A198-F255 HydrophobicContact CB-CE1 3.71Å; A198-F260 WeakPolarHBondContact O-CA 2.97Å; A198-F260 VanDerWaalsContact O-CD1 3.29Å; A198-F260 WeakPolarHBondContact O-CD1 3.37Å; A198-I261 HydrophobicContact CB-CD1 4.1Å; A198-I261 HydrophobicContact CB-CG1 3.72Å; A198-I261 PolarHBondContact O-N 2.43Å |
| 199 | T | 75.3 | Confident | 67.9 | Low | 41 Ų | 41 | 74.2 Ų | 74.2 | 25% | 0.252 | 40% | 0.398 | S | S | . | . | 0 | 0 | 0 | -57.9 | 0 | 0 | 0 | 0 | 109.6 | A195 E220 | A195-T199 PolarHBondContact O-OG1 3.48Å; T199-E220 HydrophobicContact CG2-CG 4.43Å; T199-E220 WeakPolarHBondContact CG2-OE1 3.11Å; T199-E220 WeakPolarHBondContact OG1-CG 2.72Å; T199-E220 PolarHBondContact OG1-OE1 1.78Å | |||
| 200 | S | 67 | Low | 65.1 | Low | 51 Ų | 51 | 77.6 Ų | 77.6 | 36% | 0.357 | 42% | 0.419 | S | S | . | . | 0 | 132.2 | 0 | 178 | 0 | 0 | 0 | 0 | 110.8 | K202 | S200-K202 PolarHBondContact O-N 3.08Š| |||
| 201 | A | 60.4 | Low | 62.5 | Low | 68 Ų | 68 | 83.6 Ų | 83.6 | 56% | 0.562 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -67.9 | 0 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111 | H203 Q204 | A201-H203 PolarHBondContact O-N 2.76Å; A201-Q204 PolarHBondContact O-N 2.12Å; A201-Q204 VanDerWaalsContact O-N 3.13Å |
| 202 | K | 53.4 | Low | 60 | Low | 188 Ų | 188 | 93 Ų | 93 | 82% | 0.817 | 50% | 0.501 | S | S | * | . | G | 310 helix | 0 | 6.6 | 0 | -96.9 | -175.9 | -176.3 | -178.3 | 0 | 110.1 | S200 | S200-K202 PolarHBondContact O-N 3.08Š| |
| 203 | H | 48 | Very low | 58 | Low | 162 Ų | 162 | 94.4 Ų | 94.4 | 75% | 0.75 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -121.5 | 17 | 176.2 | -88 | 11.3 | 0 | 0 | 0 | 109.8 | A201 | A201-H203 PolarHBondContact O-N 2.76Š|
| 204 | Q | 47.3 | Very low | 55.8 | Low | 157 Ų | 157 | 99 Ų | 99 | 73% | 0.734 | 54% | 0.538 | S | S | * | . | trans | -99.6 | 0 | -174.6 | -96.9 | -178.9 | 4.3 | 0 | 0 | 110 | A201 T206 | A201-Q204 PolarHBondContact O-N 2.12Å; A201-Q204 VanDerWaalsContact O-N 3.13Å; Q204-T206 PolarHBondContact O-N 3.36Å | ||
| 205 | K | 46 | Very low | 53.8 | Low | 204 Ų | 204 | 103.1 Ų | 103.1 | 89% | 0.887 | 56% | 0.556 | S | S | * | * | S | Bend | 0 | 0 | 0 | -86.8 | -174 | -177.6 | 179.5 | 0 | 109.8 | |||
| 206 | T | 39.5 | Very low | 52.3 | Low | 129 Ų | 129 | 106.6 Ų | 106.6 | 79% | 0.791 | 58% | 0.575 | S | S | * | * | S | Bend | 0 | 0 | 0 | 37.3 | 0 | 0 | 0 | 0 | 108.9 | Q204 | Q204-T206 PolarHBondContact O-N 3.36Š| |
| 207 | S | 37.2 | Very low | 51.2 | Low | 107 Ų | 107 | 105.5 Ų | 105.5 | 75% | 0.748 | 57% | 0.57 | S | S | * | * | 0 | 98.4 | 0 | -147.9 | 0 | 0 | 0 | 0 | 109.4 | K214 | S207-K214 WeakPolarHBondContact O-CE 3.43Å; S207-K214 PolarHBondContact O-NZ 3.12Å | |||
| 208 | A | 40.5 | Very low | 50.7 | Low | 88 Ų | 88 | 110.7 Ų | 110.7 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | trans | -58 | 0 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K214 | A208-K214 PolarHBondContact O-NZ 1.82Š| ||
| 209 | K | 36.3 | Very low | 50.5 | Low | 189 Ų | 189 | 112.1 Ų | 112.1 | 82% | 0.822 | 60% | 0.601 | S | S | * | * | S | Bend | 0 | 0 | 0 | -89.7 | -173.8 | -178.2 | 179 | 0 | 109.4 | |||
| 210 | N | 32 | Very low | 50.6 | Low | 119 Ų | 119 | 110.8 Ų | 110.8 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | 0 | 89 | 0 | -101 | -12.5 | 0 | 0 | 0 | 109.8 | M212 S213 K214 | N210-M212 PolarHBondContact O-N 2.85Å; N210-S213 WeakPolarHBondContact CB-OG 1.97Å; N210-S213 PolarHBondContact O-N 2.39Å; N210-S213 PolarHBondContact O-OG 2.78Å; N210-K214 VanDerWaalsContact O-CG 3.29Å; N210-K214 WeakPolarHBondContact O-CG 3.09Å | |||
| 211 | V | 37.1 | Very low | 51 | Low | 125 Ų | 125 | 109.5 Ų | 109.5 | 76% | 0.758 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -68.4 | 0 | -164.6 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | ||
| 212 | M | 36.2 | Very low | 52.2 | Low | 197 Ų | 197 | 106.5 Ų | 106.5 | 97% | 0.97 | 56% | 0.559 | S | S | * | * | S | Bend | 0 | 0 | 0 | -104.8 | -169.9 | -88.2 | 0 | 0 | 110.3 | N210 | N210-M212 PolarHBondContact O-N 2.85Š| |
| 213 | S | 45.4 | Very low | 53.7 | Low | 94 Ų | 94 | 97.7 Ų | 97.7 | 66% | 0.657 | 52% | 0.521 | S | S | * | . | S | Bend | 0 | 0 | 0 | 66.6 | 0 | 0 | 0 | 0 | 110 | N210 | N210-S213 WeakPolarHBondContact CB-OG 1.97Å; N210-S213 PolarHBondContact O-N 2.39Å; N210-S213 PolarHBondContact O-OG 2.78Å | |
| 214 | K | 45.3 | Very low | 55.4 | Low | 96 Ų | 96 | 92.2 Ų | 92.2 | 42% | 0.417 | 50% | 0.496 | S | S | . | . | 0 | 0 | 0 | -95.2 | -172 | -176 | -179.8 | 0 | 110 | S207 A208 N210 | S207-K214 WeakPolarHBondContact O-CE 3.43Å; S207-K214 PolarHBondContact O-NZ 3.12Å; A208-K214 PolarHBondContact O-NZ 1.82Å; N210-K214 VanDerWaalsContact O-CG 3.29Å; N210-K214 WeakPolarHBondContact O-CG 3.09Å | |||
| 215 | F | 47.7 | Very low | 57.3 | Low | 89 Ų | 89 | 88.6 Ų | 88.6 | 39% | 0.39 | 48% | 0.478 | S | S | . | . | 0 | 45.3 | 0 | -90.8 | -80.4 | 0 | 0 | 0 | 109.2 | E135 | E135-F215 VanDerWaalsContact CD-CE2 3.43Å; E135-F215 HydrophobicContact CG-CE1 4.42Å; E135-F215 HydrophobicContact CG-CZ 4.31Å; E135-F215 VanDerWaalsContact OE1-CD1 3.26Å; E135-F215 WeakPolarHBondContact OE1-CD1 3.42Å; E135-F215 WeakPolarHBondContact OE1-CE1 2.29Å; E135-F215 WeakPolarHBondContact OE1-CE2 2.33Å; E135-F215 WeakPolarHBondContact OE1-CZ 2.95Å; E135-F215 WeakPolarHBondContact OE2-CE2 3.04Å; E135-F215 WeakPolarHBondContact OE2-CZ 3.06Å | |||
| 216 | N | 53.4 | Low | 59.4 | Low | 74 Ų | 74 | 79 Ų | 79 | 40% | 0.396 | 44% | 0.437 | S | S | . | . | trans | -161.9 | 82.8 | 168.1 | -79 | -9.5 | 0 | 0 | 0 | 109.7 | E218 E220 A221 | N216-E218 PolarHBondContact O-N 2.88Å; N216-E220 HydrophobicContact CB-CB 4.11Å; N216-A221 HydrophobicContact CB-CB 3.63Å | ||
| 217 | G | 60.1 | Low | 61.7 | Low | 19 Ų | 19 | 73 Ų | 73 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | trans | -8.1 | 0 | 159.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L219 E220 A221 | G217-L219 PolarHBondContact O-N 2.86Å; G217-E220 WeakPolarHBondContact CA-OE2 3.24Å; G217-E220 PolarHBondContact N-OE2 3.36Å; G217-E220 VanDerWaalsContact N-OE2 3.15Å; G217-E220 PolarHBondContact O-N 1.89Å; G217-A221 PolarHBondContact O-N 1.05Å; G217-A221 VanDerWaalsContact O-N 3.08Å | ||
| 218 | E | 74 | Confident | 64.2 | Low | 128 Ų | 128 | 69.5 Ų | 69.5 | 60% | 0.598 | 38% | 0.375 | S | S | * | . | H | α-helix | 0 | -36.2 | 0 | -169.9 | 176.2 | -179.1 | 0 | 0 | 111.6 | N216 Q222 K451 | N216-E218 PolarHBondContact O-N 2.88Å; E218-Q222 WeakPolarHBondContact O-CB 2.31Å; E218-Q222 WeakPolarHBondContact O-CG 3.13Å; E218-Q222 PolarHBondContact O-N 2.33Å; E218-Q222 VanDerWaalsContact O-N 3.12Å; E218-K451 IonicContact OE1-NZ 3.72Å; E218-K451 PolarHBondContact OE1-NZ 2.31Å; E218-K451 IonicContact OE2-NZ 3.78Å | |
| 219 | L | 77.5 | Confident | 66.7 | Low | 29 Ų | 29 | 65.3 Ų | 65.3 | 15% | 0.152 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -78 | -35.5 | -176.4 | -178.2 | 68.1 | 0 | 0 | 0 | 110.7 | G217 A221 Q222 L223 I261 L449 | G217-L219 PolarHBondContact O-N 2.86Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-Q222 PolarHBondContact O-N 3Å; L219-L223 WeakPolarHBondContact O-CB 2.58Å; L219-L223 PolarHBondContact O-N 2.36Å; L219-I261 HydrophobicContact CD2-CG2 3.68Å; L219-L449 HydrophobicContact CD1-CD2 4.21Å; L219-L449 WeakPolarHBondContact CD1-O 3Å |
| 220 | E | 77.4 | Confident | 69.3 | Low | 13 Ų | 13 | 56.4 Ų | 56.4 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.1 | -38.5 | -177.5 | -69 | 88.2 | 170.3 | 0 | 0 | 110.3 | A195 T199 N216 G217 Q222 L223 L224 I261 | A195-E220 HydrophobicContact CB-CB 3.99Å; A195-E220 HydrophobicContact CB-CG 4.11Å; T199-E220 HydrophobicContact CG2-CG 4.43Å; T199-E220 WeakPolarHBondContact CG2-OE1 3.11Å; T199-E220 WeakPolarHBondContact OG1-CG 2.72Å; T199-E220 PolarHBondContact OG1-OE1 1.78Å; N216-E220 HydrophobicContact CB-CB 4.11Å; G217-E220 WeakPolarHBondContact CA-OE2 3.24Å; G217-E220 PolarHBondContact N-OE2 3.36Å; G217-E220 VanDerWaalsContact N-OE2 3.15Å; G217-E220 PolarHBondContact O-N 1.89Å; E220-Q222 VanDerWaalsContact C-N 3.26Å; E220-L223 PolarHBondContact O-N 2.83Å; E220-L224 WeakPolarHBondContact O-CG 2.94Å; E220-L224 PolarHBondContact O-N 3.12Å; E220-L224 VanDerWaalsContact O-N 3.15Å; E220-I261 HydrophobicContact CG-CD1 4.38Å |
| 221 | A | 75.5 | Confident | 72.1 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 20% | 0.198 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | N216 G217 L219 L223 L224 K225 | N216-A221 HydrophobicContact CB-CB 3.63Å; G217-A221 PolarHBondContact O-N 1.05Å; G217-A221 VanDerWaalsContact O-N 3.08Å; L219-A221 VanDerWaalsContact C-N 3.33Å; A221-L223 VanDerWaalsContact C-N 3.28Å; A221-L223 PolarHBondContact O-N 3.23Å; A221-L224 PolarHBondContact O-N 2.76Å; A221-K225 WeakPolarHBondContact O-CB 3.22Å; A221-K225 WeakPolarHBondContact O-CG 2.89Å; A221-K225 PolarHBondContact O-N 3.45Å |
| 222 | Q | 85.7 | Confident | 74.7 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.028 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.9 | -35.8 | 179.4 | -71.2 | 175 | -13.3 | 0 | 0 | 111 | E218 L219 E220 L224 K225 A226 I340 M341 L449 | E218-Q222 WeakPolarHBondContact O-CB 2.31Å; E218-Q222 WeakPolarHBondContact O-CG 3.13Å; E218-Q222 PolarHBondContact O-N 2.33Å; E218-Q222 VanDerWaalsContact O-N 3.12Å; L219-Q222 PolarHBondContact O-N 3Å; E220-Q222 VanDerWaalsContact C-N 3.26Å; Q222-L224 VanDerWaalsContact C-N 3.31Å; Q222-L224 PolarHBondContact O-N 2.27Å; Q222-K225 PolarHBondContact O-N 3.03Å; Q222-A226 PolarHBondContact O-N 2.75Å; Q222-I340 HydrophobicContact CG-CG2 4.13Å; Q222-M341 HydrophobicContact CB-SD 3.71Å; Q222-M341 HydrophobicContact CG-SD 4.26Å; Q222-L449 HydrophobicContact CB-CD2 3.87Å |
| 223 | L | 85.6 | Confident | 77.5 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67 | -38.8 | -179.9 | -178.8 | 63.4 | 0 | 0 | 0 | 110.2 | I191 L219 E220 A221 K225 I251 I253 A264 L449 | I191-L223 HydrophobicContact CG2-CD2 3.68Å; I191-L223 HydrophobicContact CG2-CG 3.73Å; L219-L223 WeakPolarHBondContact O-CB 2.58Å; L219-L223 PolarHBondContact O-N 2.36Å; E220-L223 PolarHBondContact O-N 2.83Å; A221-L223 VanDerWaalsContact C-N 3.28Å; A221-L223 PolarHBondContact O-N 3.23Å; L223-K225 VanDerWaalsContact C-N 3.31Å; L223-I251 HydrophobicContact CD1-CG2 4.39Å; L223-I253 HydrophobicContact CD2-CD1 3.88Å; L223-I253 HydrophobicContact CD2-CG1 4.23Å; L223-A264 HydrophobicContact CD1-CB 3.54Å; L223-L449 HydrophobicContact CB-CD2 4.35Å; L223-L449 HydrophobicContact CD1-CD1 4.18Å; L223-L449 HydrophobicContact CD1-CD2 4.47Å |
| 224 | L | 83.8 | Confident | 79.6 | Confident | 46 Ų | 46 | 31.8 Ų | 31.8 | 24% | 0.241 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.1 | 0 | -179.3 | -74.4 | 168.7 | 0 | 0 | 0 | 110.8 | I191 Q192 E220 A221 Q222 A226 P228 | I191-L224 HydrophobicContact CB-CD2 4.47Å; I191-L224 HydrophobicContact CG2-CD2 3.85Å; Q192-L224 HydrophobicContact CB-CD2 4.09Å; E220-L224 WeakPolarHBondContact O-CG 2.94Å; E220-L224 PolarHBondContact O-N 3.12Å; E220-L224 VanDerWaalsContact O-N 3.15Å; A221-L224 PolarHBondContact O-N 2.76Å; Q222-L224 VanDerWaalsContact C-N 3.31Å; Q222-L224 PolarHBondContact O-N 2.27Å; L224-A226 VanDerWaalsContact C-N 3.31Å; L224-A226 PolarHBondContact O-N 3.15Å; L224-P228 WeakPolarHBondContact O-CD 3.02Å |
| 225 | K | 87.1 | Confident | 81.8 | Confident | 82 Ų | 82 | 27.2 Ų | 27.2 | 36% | 0.357 | 14% | 0.142 | S | C | . | . | H | α-helix | 0 | -7 | 0 | -68.8 | -63.5 | -177.4 | -175.5 | 0 | 110.7 | A221 Q222 L223 N227 P228 A337 I340 | A221-K225 WeakPolarHBondContact O-CB 3.22Å; A221-K225 WeakPolarHBondContact O-CG 2.89Å; A221-K225 PolarHBondContact O-N 3.45Å; Q222-K225 PolarHBondContact O-N 3.03Å; L223-K225 VanDerWaalsContact C-N 3.31Å; K225-N227 VanDerWaalsContact C-N 3.3Å; K225-N227 PolarHBondContact O-N 3.44Å; K225-P228 WeakPolarHBondContact O-CD 3.19Å; K225-A337 HydrophobicContact CB-CB 4.2Å; K225-A337 WeakPolarHBondContact O-CB 2.41Å; K225-I340 HydrophobicContact CB-CG2 4.47Å; K225-I340 HydrophobicContact CD-CD1 4.13Å; K225-I340 HydrophobicContact CG-CB 4.48Å; K225-I340 HydrophobicContact CG-CD1 3.8Å; K225-I340 HydrophobicContact CG-CG2 4.22Å | |
| 226 | A | 89.7 | Confident | 83.7 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.6 | -31.4 | 179 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q222 L224 I229 L230 I266 M341 I445 | Q222-A226 PolarHBondContact O-N 2.75Å; L224-A226 VanDerWaalsContact C-N 3.31Å; L224-A226 PolarHBondContact O-N 3.15Å; A226-I229 WeakPolarHBondContact O-CB 2.84Å; A226-I229 PolarHBondContact O-N 3.16Å; A226-L230 PolarHBondContact O-N 3.29Å; A226-I266 HydrophobicContact CB-CD1 4.13Å; A226-M341 HydrophobicContact CB-CE 4.46Å; A226-M341 HydrophobicContact CB-SD 4.38Å; A226-I445 HydrophobicContact CB-CG2 3.9Å |
| 227 | N | 88 | Confident | 85.3 | Confident | 5 Ų | 5 | 20.8 Ų | 20.8 | 3% | 0.027 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68 | -43 | -173.9 | -84.5 | -42.5 | 0 | 0 | 0 | 111.4 | K225 I229 L230 E231 K249 | K225-N227 VanDerWaalsContact C-N 3.3Å; K225-N227 PolarHBondContact O-N 3.44Å; N227-I229 PolarHBondContact O-N 2.26Å; N227-I229 VanDerWaalsContact O-N 3.13Å; N227-L230 PolarHBondContact O-N 3.3Å; N227-L230 VanDerWaalsContact O-N 3.09Å; N227-E231 WeakPolarHBondContact O-CB 3.4Å; N227-E231 WeakPolarHBondContact O-CG 3.43Å; N227-E231 PolarHBondContact O-N 2.7Å; N227-K249 PolarHBondContact OD1-NZ 3.48Å |
| 228 | P | 89.3 | Confident | 86.4 | Confident | 33 Ų | 33 | 20 Ų | 20 | 21% | 0.214 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59 | -32.6 | 179.9 | -29.9 | 36.4 | 0 | 0 | 0 | 111.8 | L224 K225 E231 A232 A337 | L224-P228 WeakPolarHBondContact O-CD 3.02Å; K225-P228 WeakPolarHBondContact O-CD 3.19Å; P228-E231 PolarHBondContact O-N 3.4Å; P228-A232 WeakPolarHBondContact O-CB 3.11Å; P228-A232 PolarHBondContact O-N 2.49Å; P228-A337 HydrophobicContact CB-CB 4.26Å |
| 229 | I | 92.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -69.6 | -45 | 178.4 | -64.2 | 173.9 | 0 | 0 | 0 | 109.9 | A226 N227 E231 A232 F233 A337 M338 M341 I445 | A226-I229 WeakPolarHBondContact O-CB 2.84Å; A226-I229 PolarHBondContact O-N 3.16Å; N227-I229 PolarHBondContact O-N 2.26Å; N227-I229 VanDerWaalsContact O-N 3.13Å; I229-E231 PolarHBondContact O-N 3.45Å; I229-A232 PolarHBondContact O-N 2.38Å; I229-F233 HydrophobicContact CG2-CD2 4.38Å; I229-F233 VanDerWaalsContact O-CD2 3.28Å; I229-F233 WeakPolarHBondContact O-CD2 2.44Å; I229-F233 PolarHBondContact O-N 3.49Å; I229-A337 HydrophobicContact CD1-CB 4.13Å; I229-A337 HydrophobicContact CG1-CB 3.75Å; I229-M338 HydrophobicContact CD1-CG 3.99Å; I229-M338 HydrophobicContact CG1-CG 4.08Å; I229-M338 HydrophobicContact CG2-CE 4.45Å; I229-M341 HydrophobicContact CD1-CB 4.09Å; I229-M341 HydrophobicContact CD1-CG 3.53Å; I229-I445 HydrophobicContact CB-CD1 4.33Å; I229-I445 HydrophobicContact CG2-CD1 4.06Å |
| 230 | L | 92.3 | Very high | 86.7 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.7 | -33 | -178.4 | -68.9 | 177 | 0 | 0 | 0 | 110.5 | A226 N227 A232 F233 G234 F247 I266 F438 V442 I445 | A226-L230 PolarHBondContact O-N 3.29Å; N227-L230 PolarHBondContact O-N 3.3Å; N227-L230 VanDerWaalsContact O-N 3.09Å; L230-A232 VanDerWaalsContact C-N 3.28Å; L230-A232 PolarHBondContact O-N 3.19Å; L230-F233 PolarHBondContact O-N 3.33Å; L230-G234 WeakPolarHBondContact O-CA 3.43Å; L230-G234 PolarHBondContact O-N 3.22Å; L230-F247 HydrophobicContact CB-CE2 4.46Å; L230-F247 HydrophobicContact CB-CZ 3.79Å; L230-I266 HydrophobicContact CD1-CD1 3.84Å; L230-I266 HydrophobicContact CD1-CG2 4.04Å; L230-F438 HydrophobicContact CD2-CE2 4.17Å; L230-F438 HydrophobicContact CD2-CZ 4.27Å; L230-V442 HydrophobicContact CD2-CG2 3.88Å; L230-I445 HydrophobicContact CD2-CD1 4.07Å; L230-I445 HydrophobicContact CG-CD1 4.31Å |
| 231 | E | 90 | Very high | 86.8 | Confident | 16 Ų | 16 | 20.7 Ų | 20.7 | 8% | 0.075 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.6 | -35.8 | -179.1 | -73.5 | -176.1 | -173 | 0 | 0 | 110.5 | K188 N227 P228 I229 F233 N235 | K188-E231 WeakPolarHBondContact CE-OE1 3.15Å; K188-E231 IonicContact NZ-OE1 3.82Å; K188-E231 PolarHBondContact NZ-OE1 2.56Å; K188-E231 IonicContact NZ-OE2 3.5Å; K188-E231 PolarHBondContact NZ-OE2 2.29Å; K188-E231 VanDerWaalsContact NZ-OE2 3.08Å; N227-E231 WeakPolarHBondContact O-CB 3.4Å; N227-E231 WeakPolarHBondContact O-CG 3.43Å; N227-E231 PolarHBondContact O-N 2.7Å; P228-E231 PolarHBondContact O-N 3.4Å; I229-E231 PolarHBondContact O-N 3.45Å; E231-F233 PolarHBondContact O-N 2.82Å; E231-N235 WeakPolarHBondContact CG-ND2 2.72Å; E231-N235 WeakPolarHBondContact O-CA 1.51Å; E231-N235 WeakPolarHBondContact O-CB 3.36Å; E231-N235 PolarHBondContact O-N 3.4Å |
| 232 | A | 92.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.7 | -35 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | P228 I229 L230 H287 I288 T334 | P228-A232 WeakPolarHBondContact O-CB 3.11Å; P228-A232 PolarHBondContact O-N 2.49Å; I229-A232 PolarHBondContact O-N 2.38Å; L230-A232 VanDerWaalsContact C-N 3.28Å; L230-A232 PolarHBondContact O-N 3.19Å; A232-H287 PolarHBondContact O-N 3.25Å; A232-I288 HydrophobicContact CB-CB 4.48Å; A232-I288 WeakPolarHBondContact O-CB 3.28Å; A232-I288 PolarHBondContact O-N 2.48Å; A232-T334 HydrophobicContact CB-CG2 3.84Å |
| 233 | F | 94.4 | Very high | 87 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -102.1 | -11 | -172.4 | -79 | -95.2 | 0 | 0 | 0 | 109.9 | I229 L230 E231 F286 I288 M338 I351 I355 Y434 L437 F438 L441 | I229-F233 HydrophobicContact CG2-CD2 4.38Å; I229-F233 VanDerWaalsContact O-CD2 3.28Å; I229-F233 WeakPolarHBondContact O-CD2 2.44Å; I229-F233 PolarHBondContact O-N 3.49Å; L230-F233 PolarHBondContact O-N 3.33Å; E231-F233 PolarHBondContact O-N 2.82Å; F233-F286 WeakPolarHBondContact O-CD1 3.18Å; F233-F286 WeakPolarHBondContact O-CG 3.13Å; F233-I288 HydrophobicContact CD1-CB 4.44Å; F233-I288 HydrophobicContact CD1-CG1 4.42Å; F233-I288 HydrophobicContact CD1-CG2 4.11Å; F233-I288 HydrophobicContact CE1-CB 4.46Å; F233-I288 HydrophobicContact CE1-CG1 3.95Å; F233-I288 HydrophobicContact CE1-CG2 4.36Å; F233-I288 HydrophobicContact CE2-CD1 4.17Å; F233-I288 HydrophobicContact CE2-CG1 4.18Å; F233-I288 HydrophobicContact CG-CG2 4.49Å; F233-I288 HydrophobicContact CZ-CD1 4.1Å; F233-I288 HydrophobicContact CZ-CG1 3.81Å; F233-M338 HydrophobicContact CD2-CE 4.46Å; F233-M338 HydrophobicContact CE2-CE 3.31Å; F233-M338 HydrophobicContact CZ-CE 3.78Å; F233-I351 HydrophobicContact CE1-CG2 3.79Å; F233-I351 HydrophobicContact CZ-CG2 3.57Å; F233-I355 HydrophobicContact CE1-CD1 3.52Å; F233-I355 HydrophobicContact CE1-CG1 4.39Å; F233-I355 HydrophobicContact CZ-CD1 3.96Å; F233-Y434 WeakPolarHBondContact CA-OH 2.94Å; F233-Y434 PolarHBondContact O-OH 3.22Å; F233-L437 HydrophobicContact CD1-CD2 4.34Å; F233-L437 HydrophobicContact CE1-CD2 3.9Å; F233-F438 HydrophobicContact CB-CD2 3.83Å; F233-F438 HydrophobicContact CB-CE2 4.21Å; F233-L441 HydrophobicContact CB-CD1 4.3Å; F233-L441 HydrophobicContact CD1-CD1 3.58Å; F233-L441 HydrophobicContact CD2-CD1 3.7Å; F233-L441 HydrophobicContact CE1-CD1 3.67Å; F233-L441 HydrophobicContact CE2-CD1 3.8Å; F233-L441 HydrophobicContact CG-CD1 3.59Å; F233-L441 HydrophobicContact CZ-CD1 3.78Å |
| 234 | G | 90.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -125 | 0 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L230 R246 F247 F286 | L230-G234 WeakPolarHBondContact O-CA 3.43Å; L230-G234 PolarHBondContact O-N 3.22Å; G234-R246 WeakPolarHBondContact O-CB 3.31Å; G234-R246 PolarHBondContact O-N 3.42Å; G234-F247 VanDerWaalsContact CA-CE1 3.42Å; G234-F247 VanDerWaalsContact O-CD1 3.26Å; G234-F247 WeakPolarHBondContact O-CD1 3.43Å; G234-F286 WeakPolarHBondContact O-CE1 2.93Å |
| 235 | N | 90.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 150.3 | 0 | -71.4 | 17.1 | 0 | 0 | 0 | 110.3 | E231 N243 S244 S245 F247 F286 H287 | E231-N235 WeakPolarHBondContact CG-ND2 2.72Å; E231-N235 WeakPolarHBondContact O-CA 1.51Å; E231-N235 WeakPolarHBondContact O-CB 3.36Å; E231-N235 PolarHBondContact O-N 3.4Å; N235-N243 WeakPolarHBondContact CB-OD1 2.9Å; N235-N243 PolarHBondContact ND2-OD1 2.98Å; N235-S244 CarbonylContact C-O 3.57Å; N235-S244 WeakPolarHBondContact CA-O 2.48Å; N235-S245 WeakPolarHBondContact OD1-CA 3.25Å; N235-S245 PolarHBondContact OD1-OG 3.46Å; N235-F247 WeakPolarHBondContact OD1-CE1 2.94Å; N235-F286 VanDerWaalsContact O-CA 3.29Å; N235-F286 WeakPolarHBondContact O-CA 3.27Å; N235-H287 VanDerWaalsContact CB-CD2 3.5Å; N235-H287 WeakPolarHBondContact CB-CD2 3.47Å; N235-H287 PolarHBondContact O-CD2 3.5Å; N235-H287 PolarHBondContact O-N 3.14Å; N235-H287 VanDerWaalsContact O-N 3.12Å | |
| 236 | A | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 164.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | S244 R246 S285 F286 | A236-S244 PolarHBondContact N-O 3.3Å; A236-S244 WeakPolarHBondContact O-CA 2.84Å; A236-S244 WeakPolarHBondContact O-CB 3.39Å; A236-S244 PolarHBondContact O-N 2.72Å; A236-R246 HydrophobicContact CB-CG 3.99Å; A236-S285 WeakPolarHBondContact CB-O 3.33Å; A236-F286 HydrophobicContact CB-CD1 4.48Å |
| 237 | K | 87 | Confident | 86.7 | Confident | 28 Ų | 28 | 17.2 Ų | 17.2 | 12% | 0.122 | 9% | 0.089 | C | C | . | . | trans | -85.1 | 131.1 | 177.8 | 175.1 | -172.3 | 175.5 | 149.2 | 0 | 110.7 | D242 E283 R284 M320 L322 | K237-D242 VanDerWaalsContact CA-O 3.27Å; K237-D242 WeakPolarHBondContact CA-O 3.45Å; K237-D242 WeakPolarHBondContact CB-O 3.21Å; K237-E283 WeakPolarHBondContact O-CB 3.47Å; K237-R284 HydrophobicContact CB-CB 3.66Å; K237-R284 HydrophobicContact CB-CG 3.94Å; K237-R284 HydrophobicContact CD-CG 3.94Å; K237-R284 PolarHBondContact O-N 3.02Å; K237-R284 VanDerWaalsContact O-N 3.14Å; K237-M320 HydrophobicContact CD-SD 3.79Å; K237-L322 HydrophobicContact CB-CD2 3.93Å; K237-L322 HydrophobicContact CD-CD2 3.25Å; K237-L322 HydrophobicContact CG-CD2 3.8Å | ||
| 238 | T | 81.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | trans | -116 | 180 | 172.7 | 67 | 0 | 0 | 0 | 0 | 109.6 | K240 N241 | T238-K240 PolarHBondContact O-N 3.11Å; T238-K240 PolarHBondContact OG1-N 3.13Å; T238-N241 WeakPolarHBondContact CA-O 3.5Å; T238-N241 PolarHBondContact N-O 2.72Å; T238-N241 PolarHBondContact OG1-N 2.68Å; T238-N241 PolarHBondContact OG1-O 3.27Å; T238-N241 VanDerWaalsContact OG1-O 3.06Å | ||
| 239 | I | 81.6 | Confident | 86.4 | Confident | 100 Ų | 100 | 15.6 Ų | 15.6 | 51% | 0.513 | 8% | 0.08 | S | C | . | . | S | Bend | trans | -68.9 | -24.9 | -179.3 | -65.6 | 168.5 | 0 | 0 | 0 | 109.6 | E283 K684 | I239-E283 HydrophobicContact CG1-CG 4.01Å; I239-K684 PolarHBondContact O-NZ 2.14Å |
| 240 | K | 76.7 | Confident | 86.3 | Confident | 47 Ų | 47 | 15.7 Ų | 15.7 | 20% | 0.204 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -101.4 | -23.9 | -173.5 | -69.1 | -172.1 | 178.6 | -179.4 | 0 | 110.6 | T238 K684 | T238-K240 PolarHBondContact O-N 3.11Å; T238-K240 PolarHBondContact OG1-N 3.13Å; K240-K684 WeakPolarHBondContact O-CE 3.11Å; K240-K684 PolarHBondContact O-NZ 3.26Å |
| 241 | N | 79.6 | Confident | 86.4 | Confident | 38 Ų | 38 | 15.7 Ų | 15.7 | 20% | 0.203 | 8% | 0.08 | C | C | . | . | trans | -144.4 | 128.9 | -172.8 | -176.7 | 7 | 0 | 0 | 0 | 109.4 | T238 N243 S244 | T238-N241 WeakPolarHBondContact CA-O 3.5Å; T238-N241 PolarHBondContact N-O 2.72Å; T238-N241 PolarHBondContact OG1-N 2.68Å; T238-N241 PolarHBondContact OG1-O 3.27Å; T238-N241 VanDerWaalsContact OG1-O 3.06Å; N241-N243 VanDerWaalsContact C-N 3.33Å; N241-N243 PolarHBondContact ND2-O 3.32Å; N241-N243 PolarHBondContact OD1-N 2.61Å; N241-N243 VanDerWaalsContact OD1-N 3.15Å; N241-S244 VanDerWaalsContact ND2-CA 3.28Å; N241-S244 WeakPolarHBondContact ND2-CA 3.19Å | ||
| 242 | D | 82.8 | Confident | 86.4 | Confident | 35 Ų | 35 | 19.2 Ų | 19.2 | 19% | 0.187 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -25.9 | -176.5 | -70.7 | -24.3 | 0 | 0 | 0 | 110.6 | K237 H287 L322 K684 | K237-D242 VanDerWaalsContact CA-O 3.27Å; K237-D242 WeakPolarHBondContact CA-O 3.45Å; K237-D242 WeakPolarHBondContact CB-O 3.21Å; D242-H287 PolarHBondContact O-CE1 1.37Å; D242-L322 HydrophobicContact CB-CD2 3.98Å; D242-K684 IonicContact OD1-NZ 1.9Å; D242-K684 PolarHBondContact OD1-NZ 3.45Å |
| 243 | N | 83.4 | Confident | 86.4 | Confident | 41 Ų | 41 | 19.1 Ų | 19.1 | 22% | 0.219 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 71.8 | 178.6 | -167 | 27.8 | 0 | 0 | 0 | 110.3 | N235 N241 H287 | N235-N243 WeakPolarHBondContact CB-OD1 2.9Å; N235-N243 PolarHBondContact ND2-OD1 2.98Å; N241-N243 VanDerWaalsContact C-N 3.33Å; N241-N243 PolarHBondContact ND2-O 3.32Å; N241-N243 PolarHBondContact OD1-N 2.61Å; N241-N243 VanDerWaalsContact OD1-N 3.15Å; N243-H287 PolarHBondContact OD1-CD2 2.87Å; N243-H287 PolarHBondContact OD1-NE2 3.36Å |
| 244 | S | 82.5 | Confident | 86.2 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.9 | -173.9 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | N235 A236 N241 R246 | N235-S244 CarbonylContact C-O 3.57Å; N235-S244 WeakPolarHBondContact CA-O 2.48Å; A236-S244 PolarHBondContact N-O 3.3Å; A236-S244 WeakPolarHBondContact O-CA 2.84Å; A236-S244 WeakPolarHBondContact O-CB 3.39Å; A236-S244 PolarHBondContact O-N 2.72Å; N241-S244 VanDerWaalsContact ND2-CA 3.28Å; N241-S244 WeakPolarHBondContact ND2-CA 3.19Å; S244-R246 WeakPolarHBondContact O-CG 3.31Å; S244-R246 PolarHBondContact O-N 2.62Å |
| 245 | S | 84.8 | Confident | 86.2 | Confident | 6 Ų | 6 | 20.1 Ų | 20.1 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 120.4 | 174.2 | -69.8 | 0 | 0 | 0 | 0 | 110.8 | T184 N235 | T184-S245 PolarHBondContact OG1-OG 3.31Å; N235-S245 WeakPolarHBondContact OD1-CA 3.25Å; N235-S245 PolarHBondContact OD1-OG 3.46Å |
| 246 | R | 85.9 | Confident | 85.9 | Confident | 3 Ų | 3 | 22.5 Ų | 22.5 | 1% | 0.011 | 11% | 0.111 | C | C | . | . | trans | -106.9 | 24.4 | -178.1 | -63.4 | -57.6 | -73 | -177.9 | -0.2 | 110.2 | G234 A236 S244 E272 R275 F286 E469 | G234-R246 WeakPolarHBondContact O-CB 3.31Å; G234-R246 PolarHBondContact O-N 3.42Å; A236-R246 HydrophobicContact CB-CG 3.99Å; S244-R246 WeakPolarHBondContact O-CG 3.31Å; S244-R246 PolarHBondContact O-N 2.62Å; R246-E272 HydrophobicContact CB-CB 4.04Å; R246-E272 WeakPolarHBondContact CD-OE2 3.14Å; R246-E272 IonicContact CZ-OE1 3.25Å; R246-E272 VanDerWaalsContact CZ-OE1 3.27Å; R246-E272 IonicContact CZ-OE2 3.66Å; R246-E272 IonicContact NE-OE1 3.62Å; R246-E272 IonicContact NE-OE2 3.76Å; R246-E272 PolarHBondContact NE-OE2 3.4Å; R246-E272 IonicContact NH1-OE2 3.31Å; R246-E272 PolarHBondContact NH1-OE2 3.44Å; R246-E272 IonicContact NH2-OE1 3.28Å; R246-E272 PolarHBondContact NH2-OE1 3.46Å; R246-E272 CovalentContact NH2-OE2 1.77Å; R246-E272 IonicContact NH2-OE2 3.58Å; R246-E272 PolarHBondContact NH2-OE2 3.32Å; R246-E272 PolarHBondContact O-N 3.1Å; R246-R275 VanDerWaalsContact CZ-CZ 3.49Å; R246-R275 VanDerWaalsContact NE-CZ 3.27Å; R246-F286 HydrophobicContact CB-CE1 4.1Å; R246-E469 IonicContact CZ-OE1 3.77Å; R246-E469 IonicContact CZ-OE2 3.4Å; R246-E469 IonicContact NH1-OE1 3.96Å; R246-E469 PolarHBondContact NH1-OE1 3.43Å; R246-E469 IonicContact NH1-OE2 3.84Å; R246-E469 PolarHBondContact NH1-OE2 2.55Å; R246-E469 IonicContact NH2-OE2 3.78Å | ||
| 247 | F | 85.5 | Confident | 85.7 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -147.1 | 152.9 | 172.1 | 67.1 | -77.2 | 0 | 0 | 0 | 109 | L230 G234 N235 K249 T268 Y269 L270 L271 F438 | L230-F247 HydrophobicContact CB-CE2 4.46Å; L230-F247 HydrophobicContact CB-CZ 3.79Å; G234-F247 VanDerWaalsContact CA-CE1 3.42Å; G234-F247 VanDerWaalsContact O-CD1 3.26Å; G234-F247 WeakPolarHBondContact O-CD1 3.43Å; N235-F247 WeakPolarHBondContact OD1-CE1 2.94Å; F247-K249 HydrophobicContact CD2-CB 4.29Å; F247-K249 HydrophobicContact CE2-CB 3.78Å; F247-K249 HydrophobicContact CE2-CD 4.26Å; F247-K249 HydrophobicContact CE2-CG 4.43Å; F247-K249 HydrophobicContact CZ-CD 4.39Å; F247-T268 HydrophobicContact CD2-CG2 4.47Å; F247-Y269 CarbonylContact C-O 3.48Å; F247-L270 WeakPolarHBondContact CA-O 2.85Å; F247-L271 HydrophobicContact CB-CD1 3.99Å; F247-F438 HydrophobicContact CB-CZ 4.5Å; F247-F438 HydrophobicContact CD1-CZ 4.24Å; F247-F438 HydrophobicContact CD2-CE1 4.21Å; F247-F438 AromaticContact CD2-CZ 3.66Å; F247-F438 HydrophobicContact CD2-CZ 3.66Å; F247-F438 HydrophobicContact CE1-CZ 4.37Å; F247-F438 AromaticContact CE2-CZ 3.8Å; F247-F438 HydrophobicContact CE2-CZ 3.8Å; F247-F438 HydrophobicContact CG-CE1 4.43Å; F247-F438 AromaticContact CG-CZ 3.88Å; F247-F438 HydrophobicContact CG-CZ 3.88Å; F247-F438 HydrophobicContact CZ-CZ 4.17Å |
| 248 | G | 83.3 | Confident | 85.7 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 133.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T268 Y269 | G248-T268 CarbonylContact O-C 3.37Å; G248-T268 WeakPolarHBondContact O-CA 3.01Å; G248-Y269 WeakPolarHBondContact CA-O 3.32Å; G248-Y269 PolarHBondContact N-O 2.23Å; G248-Y269 PolarHBondContact O-N 3.12Å |
| 249 | K | 88.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.7 | 178.9 | 58.5 | -177.9 | 176.8 | -171.1 | 0 | 109.7 | N227 F247 E267 D464 | N227-K249 PolarHBondContact OD1-NZ 3.48Å; F247-K249 HydrophobicContact CD2-CB 4.29Å; F247-K249 HydrophobicContact CE2-CB 3.78Å; F247-K249 HydrophobicContact CE2-CD 4.26Å; F247-K249 HydrophobicContact CE2-CG 4.43Å; F247-K249 HydrophobicContact CZ-CD 4.39Å; K249-E267 WeakPolarHBondContact CA-O 3.02Å; K249-D464 HydrophobicContact CD-CB 4.07Å; K249-D464 WeakPolarHBondContact CE-OD2 3.29Å; K249-D464 HydrophobicContact CG-CB 3.46Å; K249-D464 VanDerWaalsContact CG-CB 3.46Å; K249-D464 PolarHBondContact N-O 2.5Å; K249-D464 IonicContact NZ-OD2 2.21Å; K249-D464 PolarHBondContact NZ-OD2 2.33Å; K249-D464 PolarHBondContact O-N 2.52Å |
| 250 | F | 91.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 109.1 | 174.5 | -179.2 | -113.1 | 0 | 0 | 0 | 109 | R252 E267 Y269 F459 I462 L463 L663 V666 L667 | F250-R252 HydrophobicContact CE1-CB 4.46Å; F250-E267 HydrophobicContact CB-CB 4.28Å; F250-E267 PolarHBondContact N-O 3.46Å; F250-E267 PolarHBondContact O-N 2.78Å; F250-Y269 HydrophobicContact CB-CE2 3.76Å; F250-F459 HydrophobicContact CZ-CE2 4.49Å; F250-I462 WeakPolarHBondContact CA-O 3.47Å; F250-L463 HydrophobicContact CB-CD1 4.13Å; F250-L463 HydrophobicContact CD2-CB 4.02Å; F250-L463 HydrophobicContact CD2-CD1 4.02Å; F250-L663 HydrophobicContact CB-CD1 4Å; F250-L663 HydrophobicContact CD1-CD1 4.28Å; F250-L663 HydrophobicContact CD2-CD1 3.99Å; F250-L663 HydrophobicContact CG-CD1 3.84Å; F250-V666 HydrophobicContact CE1-CG1 4Å; F250-V666 HydrophobicContact CZ-CG1 3.99Å; F250-L667 HydrophobicContact CE2-CD2 3.87Å; F250-L667 HydrophobicContact CZ-CD2 4.46Å |
| 251 | I | 92.5 | Very high | 86.5 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.3 | -175.9 | -58.8 | 171.7 | 0 | 0 | 0 | 109 | T187 I191 L223 I253 N265 I266 G461 I462 | T187-I251 HydrophobicContact CG2-CD1 4.3Å; I191-I251 HydrophobicContact CD1-CD1 3.4Å; I191-I251 VanDerWaalsContact CD1-CD1 3.4Å; L223-I251 HydrophobicContact CD1-CG2 4.39Å; I251-I253 HydrophobicContact CG2-CG1 4.12Å; I251-N265 CarbonylContact C-O 3.52Å; I251-N265 WeakPolarHBondContact CA-O 3.03Å; I251-I266 HydrophobicContact CG1-CG1 4.23Å; I251-I266 HydrophobicContact CG2-CG1 4.41Å; I251-G461 WeakPolarHBondContact O-CA 3.44Å; I251-I462 HydrophobicContact CB-CB 4.46Å; I251-I462 PolarHBondContact N-O 2.64Å; I251-I462 PolarHBondContact O-N 3.41Å |
| 252 | R | 91.6 | Very high | 86.7 | Confident | 90 Ų | 90 | 27.2 Ų | 27.2 | 34% | 0.34 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 115.6 | 180 | -175.6 | 177.5 | 176.2 | -177.6 | 1.6 | 109 | F250 N254 A264 N265 F459 | F250-R252 HydrophobicContact CE1-CB 4.46Å; R252-N254 PolarHBondContact NE-OD1 2.37Å; R252-A264 CarbonylContact O-C 3.59Å; R252-A264 WeakPolarHBondContact O-CA 3.23Å; R252-N265 WeakPolarHBondContact CA-O 2.89Å; R252-N265 HydrophobicContact CB-CB 4.25Å; R252-N265 PolarHBondContact N-O 2.42Å; R252-N265 PolarHBondContact O-N 3.41Å; R252-F459 HydrophobicContact CG-CB 3.77Å; R252-F459 HydrophobicContact CG-CD2 3.45Å; R252-F459 VanDerWaalsContact CG-CD2 3.45Å; R252-F459 HydrophobicContact CG-CE2 4.2Å; R252-F459 HydrophobicContact CG-CG 3.74Å; R252-F459 VanDerWaalsContact NH2-CD1 3.29Å |
| 253 | I | 91.5 | Very high | 87 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.5 | 178.4 | -61.2 | 177.8 | 0 | 0 | 0 | 108.9 | L194 L223 I251 F255 I261 F459 V460 I462 | L194-I253 HydrophobicContact CD1-CD1 3.96Å; L223-I253 HydrophobicContact CD2-CD1 3.88Å; L223-I253 HydrophobicContact CD2-CG1 4.23Å; I251-I253 HydrophobicContact CG2-CG1 4.12Å; I253-F255 HydrophobicContact CB-CE2 4.28Å; I253-F255 HydrophobicContact CG2-CE1 4.41Å; I253-F255 HydrophobicContact CG2-CE2 3.97Å; I253-F255 HydrophobicContact CG2-CZ 3.85Å; I253-F255 WeakPolarHBondContact O-CD2 3.22Å; I253-F255 WeakPolarHBondContact O-CE2 3.36Å; I253-I261 HydrophobicContact CG2-CD1 4.3Å; I253-I261 HydrophobicContact CG2-CG1 4Å; I253-I261 HydrophobicContact CG2-CG2 3.91Å; I253-F459 WeakPolarHBondContact O-CA 2.86Å; I253-F459 WeakPolarHBondContact O-CB 3.18Å; I253-V460 PolarHBondContact N-O 2.81Å; I253-V460 PolarHBondContact O-N 3.33Å; I253-I462 HydrophobicContact CD1-CD1 4.07Å |
| 254 | N | 90.6 | Very high | 87.3 | Confident | 22 Ų | 22 | 23.7 Ų | 23.7 | 12% | 0.118 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 0 | -174.6 | -66.9 | -41.6 | 0 | 0 | 0 | 110 | R252 I261 A262 G263 F459 | R252-N254 PolarHBondContact NE-OD1 2.37Å; N254-I261 CarbonylContact O-C 3.51Å; N254-I261 WeakPolarHBondContact O-CA 3.16Å; N254-A262 PolarHBondContact O-N 2.76Å; N254-G263 WeakPolarHBondContact CA-O 3.31Å; N254-G263 WeakPolarHBondContact CB-O 3.11Å; N254-G263 PolarHBondContact N-O 3.48Å; N254-G263 PolarHBondContact O-N 2.76Å; N254-F459 WeakPolarHBondContact OD1-CB 3.27Å |
| 255 | F | 89.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 146.7 | 0 | -66.2 | -89.8 | 0 | 0 | 0 | 109.9 | Y161 M164 L194 A198 I253 G259 F260 I261 G456 A457 S458 V460 | Y161-F255 AromaticContact CD2-CE1 3.98Å; Y161-F255 HydrophobicContact CD2-CE1 3.98Å; Y161-F255 HydrophobicContact CD2-CZ 4.2Å; Y161-F255 AromaticContact CE2-CD1 3.96Å; Y161-F255 HydrophobicContact CE2-CD1 3.96Å; Y161-F255 AromaticContact CE2-CE1 3.72Å; Y161-F255 HydrophobicContact CE2-CE1 3.72Å; Y161-F255 HydrophobicContact CE2-CZ 4.39Å; M164-F255 HydrophobicContact CE-CB 3.74Å; M164-F255 HydrophobicContact CE-CD1 3.95Å; M164-F255 HydrophobicContact CE-CD2 3.41Å; M164-F255 VanDerWaalsContact CE-CD2 3.41Å; M164-F255 HydrophobicContact CE-CE1 4.42Å; M164-F255 HydrophobicContact CE-CE2 3.95Å; M164-F255 HydrophobicContact CE-CG 3.42Å; M164-F255 VanDerWaalsContact CE-CG 3.42Å; M164-F255 HydrophobicContact CE-CZ 4.41Å; M164-F255 HydrophobicContact SD-CB 4.22Å; M164-F255 HydrophobicContact SD-CD2 3.28Å; M164-F255 WeakPolarHBondContact SD-CD2 3.18Å; M164-F255 HydrophobicContact SD-CE2 3.81Å; M164-F255 HydrophobicContact SD-CG 3.92Å; L194-F255 HydrophobicContact CD2-CZ 4.47Å; A198-F255 HydrophobicContact CB-CD1 4.3Å; A198-F255 HydrophobicContact CB-CE1 3.71Å; I253-F255 HydrophobicContact CB-CE2 4.28Å; I253-F255 HydrophobicContact CG2-CE1 4.41Å; I253-F255 HydrophobicContact CG2-CE2 3.97Å; I253-F255 HydrophobicContact CG2-CZ 3.85Å; I253-F255 WeakPolarHBondContact O-CD2 3.22Å; I253-F255 WeakPolarHBondContact O-CE2 3.36Å; F255-G259 WeakPolarHBondContact CD1-O 3.36Å; F255-F260 CarbonylContact C-O 3.39Å; F255-F260 WeakPolarHBondContact CA-O 3.31Å; F255-I261 HydrophobicContact CD1-CG1 4.2Å; F255-I261 HydrophobicContact CE1-CG1 3.77Å; F255-I261 HydrophobicContact CZ-CG1 4.48Å; F255-G456 CarbonylContact O-C 3.42Å; F255-G456 WeakPolarHBondContact O-CA 2.14Å; F255-A457 PolarHBondContact O-N 3.48Å; F255-S458 PolarHBondContact N-O 3.28Å; F255-S458 PolarHBondContact O-N 2.54Å; F255-V460 HydrophobicContact CD2-CG2 4.2Å; F255-V460 HydrophobicContact CE2-CB 3.8Å; F255-V460 HydrophobicContact CE2-CG2 3.45Å; F255-V460 VanDerWaalsContact CE2-CG2 3.45Å; F255-V460 HydrophobicContact CZ-CG2 4.21Å | |
| 256 | D | 85.5 | Confident | 88 | Confident | 50 Ų | 50 | 25.9 Ų | 25.9 | 27% | 0.267 | 14% | 0.143 | S | C | . | . | trans | -81.6 | 178 | 176.9 | 65.8 | 4.6 | 0 | 0 | 0 | 109.8 | S258 G259 F260 A262 | D256-S258 PolarHBondContact O-N 3.38Å; D256-S258 VanDerWaalsContact OD1-C 3.32Å; D256-S258 WeakPolarHBondContact OD1-CA 3.33Å; D256-S258 PolarHBondContact OD1-N 3.48Å; D256-G259 PolarHBondContact O-N 2.8Å; D256-G259 PolarHBondContact OD1-N 3.14Å; D256-F260 PolarHBondContact N-O 2.95Å; D256-F260 WeakPolarHBondContact OD1-CA 3.33Å; D256-F260 PolarHBondContact OD1-N 3.49Å; D256-F260 WeakPolarHBondContact OD2-CB 3.07Å; D256-A262 HydrophobicContact CB-CB 4.45Å | ||
| 257 | T | 84.9 | Confident | 88.1 | Confident | 130 Ų | 130 | 28.7 Ų | 28.7 | 80% | 0.798 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 0 | -175.5 | 47.9 | 0 | 0 | 0 | 0 | 110.6 | G259 A457 | T257-G259 VanDerWaalsContact C-N 3.26Å; T257-A457 HydrophobicContact CG2-CB 3.78Å |
| 258 | S | 85.2 | Confident | 88.2 | Confident | 85 Ų | 85 | 30.1 Ų | 30.1 | 59% | 0.594 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | D256 | D256-S258 PolarHBondContact O-N 3.38Å; D256-S258 VanDerWaalsContact OD1-C 3.32Å; D256-S258 WeakPolarHBondContact OD1-CA 3.33Å; D256-S258 PolarHBondContact OD1-N 3.48Å | |
| 259 | G | 85.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y161 L165 F255 D256 T257 | Y161-G259 WeakPolarHBondContact CE2-O 3.05Å; Y161-G259 PolarHBondContact OH-O 2.77Å; L165-G259 VanDerWaalsContact CD2-CA 3.46Å; F255-G259 WeakPolarHBondContact CD1-O 3.36Å; D256-G259 PolarHBondContact O-N 2.8Å; D256-G259 PolarHBondContact OD1-N 3.14Å; T257-G259 VanDerWaalsContact C-N 3.26Å | |
| 260 | F | 86.4 | Confident | 87.1 | Confident | 69 Ų | 69 | 33.1 Ų | 33.1 | 30% | 0.303 | 18% | 0.178 | S | C | . | . | 0 | 155 | 0 | -64.3 | -64.3 | 0 | 0 | 0 | 111 | A198 F255 D256 A262 | A198-F260 WeakPolarHBondContact O-CA 2.97Å; A198-F260 VanDerWaalsContact O-CD1 3.29Å; A198-F260 WeakPolarHBondContact O-CD1 3.37Å; F255-F260 CarbonylContact C-O 3.39Å; F255-F260 WeakPolarHBondContact CA-O 3.31Å; D256-F260 PolarHBondContact N-O 2.95Å; D256-F260 WeakPolarHBondContact OD1-CA 3.33Å; D256-F260 PolarHBondContact OD1-N 3.49Å; D256-F260 WeakPolarHBondContact OD2-CB 3.07Å; F260-A262 PolarHBondContact O-N 3.34Å | |||
| 261 | I | 86.6 | Confident | 86.7 | Confident | 16 Ų | 16 | 34 Ų | 34 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 116.1 | -177.3 | -64.7 | 174.5 | 0 | 0 | 0 | 108.7 | A198 L219 E220 I253 N254 F255 | A198-I261 HydrophobicContact CB-CD1 4.1Å; A198-I261 HydrophobicContact CB-CG1 3.72Å; A198-I261 PolarHBondContact O-N 2.43Å; L219-I261 HydrophobicContact CD2-CG2 3.68Å; E220-I261 HydrophobicContact CG-CD1 4.38Å; I253-I261 HydrophobicContact CG2-CD1 4.3Å; I253-I261 HydrophobicContact CG2-CG1 4Å; I253-I261 HydrophobicContact CG2-CG2 3.91Å; N254-I261 CarbonylContact O-C 3.51Å; N254-I261 WeakPolarHBondContact O-CA 3.16Å; F255-I261 HydrophobicContact CD1-CG1 4.2Å; F255-I261 HydrophobicContact CE1-CG1 3.77Å; F255-I261 HydrophobicContact CZ-CG1 4.48Å |
| 262 | A | 83.5 | Confident | 86.2 | Confident | 12 Ų | 12 | 34.7 Ų | 34.7 | 10% | 0.099 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -20.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | N254 D256 F260 T452 | N254-A262 PolarHBondContact O-N 2.76Å; D256-A262 HydrophobicContact CB-CB 4.45Å; F260-A262 PolarHBondContact O-N 3.34Å; A262-T452 WeakPolarHBondContact O-CB 2.96Å; A262-T452 WeakPolarHBondContact O-CG2 3.45Å; A262-T452 PolarHBondContact O-OG1 2.27Å |
| 263 | G | 87.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | 165.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | N254 | N254-G263 WeakPolarHBondContact CA-O 3.31Å; N254-G263 WeakPolarHBondContact CB-O 3.11Å; N254-G263 PolarHBondContact N-O 3.48Å; N254-G263 PolarHBondContact O-N 2.76Å |
| 264 | A | 89.6 | Confident | 85.2 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 147.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L223 R252 L449 | L223-A264 HydrophobicContact CD1-CB 3.54Å; R252-A264 CarbonylContact O-C 3.59Å; R252-A264 WeakPolarHBondContact O-CA 3.23Å; A264-L449 HydrophobicContact CB-CB 4.19Å; A264-L449 HydrophobicContact CB-CD1 4.1Å; A264-L449 VanDerWaalsContact O-CB 3.23Å; A264-L449 WeakPolarHBondContact O-CB 2.94Å |
| 265 | N | 90.5 | Very high | 85 | Confident | 49 Ų | 49 | 31.4 Ų | 31.4 | 26% | 0.262 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 0 | 178.9 | -170.2 | 18.2 | 0 | 0 | 0 | 109.5 | I251 R252 N446 | I251-N265 CarbonylContact C-O 3.52Å; I251-N265 WeakPolarHBondContact CA-O 3.03Å; R252-N265 WeakPolarHBondContact CA-O 2.89Å; R252-N265 HydrophobicContact CB-CB 4.25Å; R252-N265 PolarHBondContact N-O 2.42Å; R252-N265 PolarHBondContact O-N 3.41Å; N265-N446 PolarHBondContact OD1-ND2 2.56Å; N265-N446 PolarHBondContact OD1-OD1 3.21Å |
| 266 | I | 91.5 | Very high | 85 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 120.4 | 0 | -61.1 | 173.8 | 0 | 0 | 0 | 109.6 | A226 L230 I251 T268 V442 I445 N446 L449 | A226-I266 HydrophobicContact CB-CD1 4.13Å; L230-I266 HydrophobicContact CD1-CD1 3.84Å; L230-I266 HydrophobicContact CD1-CG2 4.04Å; I251-I266 HydrophobicContact CG1-CG1 4.23Å; I251-I266 HydrophobicContact CG2-CG1 4.41Å; I266-T268 HydrophobicContact CG2-CG2 4.28Å; I266-V442 WeakPolarHBondContact O-CG1 3.17Å; I266-I445 HydrophobicContact CD1-CG2 4.02Å; I266-N446 PolarHBondContact N-OD1 3.09Å; I266-N446 PolarHBondContact O-ND2 3.46Å; I266-L449 HydrophobicContact CD1-CD1 4.14Å; I266-L449 HydrophobicContact CG1-CD1 4.37Å | |
| 267 | E | 88.1 | Confident | 85.2 | Confident | 63 Ų | 63 | 29.7 Ų | 29.7 | 29% | 0.294 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.2 | 175.5 | -69.7 | -174.4 | -179.6 | 0 | 0 | 109.7 | K249 F250 Y269 | K249-E267 WeakPolarHBondContact CA-O 3.02Å; F250-E267 HydrophobicContact CB-CB 4.28Å; F250-E267 PolarHBondContact N-O 3.46Å; F250-E267 PolarHBondContact O-N 2.78Å; E267-Y269 HydrophobicContact CB-CE2 3.97Å; E267-Y269 PolarHBondContact OE2-OH 3.22Å |
| 268 | T | 87.6 | Confident | 85.1 | Confident | 32 Ų | 32 | 29.9 Ų | 29.9 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 143.8 | -177.1 | 62.3 | 0 | 0 | 0 | 0 | 109.5 | F247 G248 I266 F438 V442 | F247-T268 HydrophobicContact CD2-CG2 4.47Å; G248-T268 CarbonylContact O-C 3.37Å; G248-T268 WeakPolarHBondContact O-CA 3.01Å; I266-T268 HydrophobicContact CG2-CG2 4.28Å; T268-F438 HydrophobicContact CG2-CE1 3.88Å; T268-F438 HydrophobicContact CG2-CZ 4.18Å; T268-V442 HydrophobicContact CG2-CB 4.16Å; T268-V442 HydrophobicContact CG2-CG1 3.8Å; T268-V442 HydrophobicContact CG2-CG2 3.36Å |
| 269 | Y | 77.6 | Confident | 85.1 | Confident | 22 Ų | 22 | 26.8 Ų | 26.8 | 9% | 0.086 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 0 | -179.2 | -63 | -86.7 | 0 | 0 | 0 | 108.9 | F247 G248 F250 E267 S659 L663 | F247-Y269 CarbonylContact C-O 3.48Å; G248-Y269 WeakPolarHBondContact CA-O 3.32Å; G248-Y269 PolarHBondContact N-O 2.23Å; G248-Y269 PolarHBondContact O-N 3.12Å; F250-Y269 HydrophobicContact CB-CE2 3.76Å; E267-Y269 HydrophobicContact CB-CE2 3.97Å; E267-Y269 PolarHBondContact OE2-OH 3.22Å; Y269-S659 WeakPolarHBondContact CE1-O 3.48Å; Y269-L663 HydrophobicContact CD2-CD2 4.16Å; Y269-L663 HydrophobicContact CE1-CB 3.9Å; Y269-L663 HydrophobicContact CE2-CB 4.3Å; Y269-L663 HydrophobicContact CE2-CD1 3.76Å; Y269-L663 HydrophobicContact CE2-CD2 3.98Å; Y269-L663 HydrophobicContact CE2-CG 4.25Å |
| 270 | L | 71.2 | Confident | 84.9 | Confident | 46 Ų | 46 | 29.1 Ų | 29.1 | 24% | 0.241 | 15% | 0.149 | C | C | . | . | 0 | 82.5 | 0 | -170 | 72.4 | 0 | 0 | 0 | 110.5 | F247 E272 C480 I481 Y656 | F247-L270 WeakPolarHBondContact CA-O 2.85Å; L270-E272 PolarHBondContact O-N 3.18Å; L270-C480 HydrophobicContact CD1-CB 4.4Å; L270-C480 HydrophobicContact CD2-CB 3.57Å; L270-I481 HydrophobicContact CD2-CG1 4Å; L270-Y656 HydrophobicContact CB-CD2 3.61Å; L270-Y656 HydrophobicContact CB-CE2 3.21Å; L270-Y656 HydrophobicContact CD1-CD2 3.35Å; L270-Y656 HydrophobicContact CD1-CE2 3.63Å; L270-Y656 HydrophobicContact CD1-CG 4.03Å; L270-Y656 HydrophobicContact CD2-CD2 4.04Å; L270-Y656 HydrophobicContact CD2-CE1 4.5Å; L270-Y656 HydrophobicContact CD2-CE2 3.35Å; L270-Y656 HydrophobicContact CG-CD2 3.86Å; L270-Y656 HydrophobicContact CG-CE2 3.56Å | |||
| 271 | L | 83.4 | Confident | 84.7 | Confident | 20 Ų | 20 | 31.2 Ų | 31.2 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | trans | -76.8 | 121.8 | 168.2 | 179.3 | 70.5 | 0 | 0 | 0 | 110.8 | F247 K273 F286 Y434 E435 F438 | F247-L271 HydrophobicContact CB-CD1 3.99Å; L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 2.38Å; L271-F286 HydrophobicContact CD1-CE1 3.9Å; L271-F286 HydrophobicContact CD1-CZ 3.74Å; L271-F286 HydrophobicContact CG-CZ 4.16Å; L271-Y434 HydrophobicContact CD2-CD1 3.89Å; L271-Y434 HydrophobicContact CD2-CE1 3.97Å; L271-E435 HydrophobicContact CD2-CB 4.39Å; L271-F438 HydrophobicContact CD1-CD1 4.35Å; L271-F438 HydrophobicContact CD1-CE1 4.38Å; L271-F438 HydrophobicContact CD1-CG 4.48Å; L271-F438 HydrophobicContact CD2-CB 3.93Å; L271-F438 HydrophobicContact CD2-CD1 4.08Å; L271-F438 HydrophobicContact CD2-CG 4.06Å | ||
| 272 | E | 81.2 | Confident | 84.6 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | trans | -69.2 | 83.9 | 178.5 | -167.8 | 177.8 | 177 | 0 | 0 | 110.7 | R246 L270 A274 R275 F286 E477 Q478 | R246-E272 HydrophobicContact CB-CB 4.04Å; R246-E272 WeakPolarHBondContact CD-OE2 3.14Å; R246-E272 IonicContact CZ-OE1 3.25Å; R246-E272 VanDerWaalsContact CZ-OE1 3.27Å; R246-E272 IonicContact CZ-OE2 3.66Å; R246-E272 IonicContact NE-OE1 3.62Å; R246-E272 IonicContact NE-OE2 3.76Å; R246-E272 PolarHBondContact NE-OE2 3.4Å; R246-E272 IonicContact NH1-OE2 3.31Å; R246-E272 PolarHBondContact NH1-OE2 3.44Å; R246-E272 IonicContact NH2-OE1 3.28Å; R246-E272 PolarHBondContact NH2-OE1 3.46Å; R246-E272 CovalentContact NH2-OE2 1.77Å; R246-E272 IonicContact NH2-OE2 3.58Å; R246-E272 PolarHBondContact NH2-OE2 3.32Å; R246-E272 PolarHBondContact O-N 3.1Å; L270-E272 PolarHBondContact O-N 3.18Å; E272-A274 PolarHBondContact O-N 2.47Å; E272-R275 PolarHBondContact O-N 2.59Å; E272-R275 IonicContact OE1-CZ 3.56Å; E272-R275 IonicContact OE1-NE 3.14Å; E272-R275 IonicContact OE1-NH2 2.46Å; E272-R275 PolarHBondContact OE1-NH2 3.49Å; E272-R275 IonicContact OE2-CZ 3.48Å; E272-R275 IonicContact OE2-NE 3.9Å; E272-R275 PolarHBondContact OE2-NE 2.84Å; E272-R275 IonicContact OE2-NH2 2.77Å; E272-R275 PolarHBondContact OE2-NH2 2.04Å; E272-F286 WeakPolarHBondContact O-CZ 3.39Å; E272-E477 HydrophobicContact CG-CB 4.27Å; E272-E477 HydrophobicContact CG-CG 4.28Å; E272-Q478 PolarHBondContact OE1-NE2 3Å | ||
| 273 | K | 82.8 | Confident | 84.8 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 8% | 0.078 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -73.3 | -21.1 | -169.9 | 55.2 | -176.1 | -179 | -174.8 | 0 | 110.6 | L271 R275 V276 K431 D598 | L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 2.38Å; K273-R275 PolarHBondContact O-N 3.36Å; K273-V276 WeakPolarHBondContact O-CB 3.04Å; K273-V276 WeakPolarHBondContact O-CG2 3.38Å; K273-V276 PolarHBondContact O-N 3.35Å; K273-V276 VanDerWaalsContact O-N 3.09Å; K273-K431 HydrophobicContact CB-CB 4.12Å; K273-K431 HydrophobicContact CB-CD 4.28Å; K273-K431 HydrophobicContact CB-CG 4.37Å; K273-K431 HydrophobicContact CD-CB 4.13Å; K273-K431 HydrophobicContact CD-CD 4.18Å; K273-K431 HydrophobicContact CG-CB 4.34Å; K273-K431 HydrophobicContact CG-CD 3.89Å; K273-K431 HydrophobicContact CG-CG 4.5Å; K273-D598 WeakPolarHBondContact CE-OD2 1.7Å; K273-D598 IonicContact NZ-OD1 2.33Å; K273-D598 PolarHBondContact NZ-OD1 2.26Å; K273-D598 IonicContact NZ-OD2 3.08Å; K273-D598 PolarHBondContact NZ-OD2 2.07Å |
| 274 | A | 80.4 | Confident | 84.9 | Confident | 19 Ų | 19 | 35.2 Ų | 35.2 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -65 | -18.3 | -176 | 0 | 0 | 0 | 0 | 0 | 110.5 | E272 V276 I277 R278 | E272-A274 PolarHBondContact O-N 2.47Å; A274-V276 PolarHBondContact O-N 2.54Å; A274-I277 WeakPolarHBondContact O-CG1 3.08Å; A274-I277 PolarHBondContact O-N 3.41Å; A274-I277 VanDerWaalsContact O-N 3.11Å; A274-R278 PolarHBondContact O-N 2.4Å |
| 275 | R | 86.6 | Confident | 85 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -77.7 | -16.3 | -175.5 | -153.4 | 176.6 | -71.1 | -87.1 | 0.9 | 110.8 | R246 E272 K273 I277 R278 Q279 E283 R284 S285 F286 | R246-R275 VanDerWaalsContact CZ-CZ 3.49Å; R246-R275 VanDerWaalsContact NE-CZ 3.27Å; E272-R275 PolarHBondContact O-N 2.59Å; E272-R275 IonicContact OE1-CZ 3.56Å; E272-R275 IonicContact OE1-NE 3.14Å; E272-R275 IonicContact OE1-NH2 2.46Å; E272-R275 PolarHBondContact OE1-NH2 3.49Å; E272-R275 IonicContact OE2-CZ 3.48Å; E272-R275 IonicContact OE2-NE 3.9Å; E272-R275 PolarHBondContact OE2-NE 2.84Å; E272-R275 IonicContact OE2-NH2 2.77Å; E272-R275 PolarHBondContact OE2-NH2 2.04Å; K273-R275 PolarHBondContact O-N 3.36Å; R275-I277 PolarHBondContact O-N 2.99Å; R275-R278 WeakPolarHBondContact CA-O 3.13Å; R275-Q279 HydrophobicContact CG-CG 4.11Å; R275-Q279 PolarHBondContact O-NE2 2.78Å; R275-E283 IonicContact CZ-OE2 3.48Å; R275-E283 IonicContact NH1-OE2 3.95Å; R275-E283 PolarHBondContact NH1-OE2 2.75Å; R275-E283 IonicContact NH2-OE2 3.8Å; R275-R284 WeakPolarHBondContact CD-O 3.39Å; R275-S285 PolarHBondContact O-OG 2.96Å; R275-F286 HydrophobicContact CB-CE2 4.48Å |
| 276 | V | 89.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -65.2 | -30.1 | 176.8 | 174.1 | 0 | 0 | 0 | 0 | 110 | K273 A274 F286 F289 V358 Y434 | K273-V276 WeakPolarHBondContact O-CB 3.04Å; K273-V276 WeakPolarHBondContact O-CG2 3.38Å; K273-V276 PolarHBondContact O-N 3.35Å; K273-V276 VanDerWaalsContact O-N 3.09Å; A274-V276 PolarHBondContact O-N 2.54Å; V276-F286 HydrophobicContact CG2-CD2 3.74Å; V276-F286 HydrophobicContact CG2-CE2 3.4Å; V276-F286 VanDerWaalsContact CG2-CE2 3.4Å; V276-F289 HydrophobicContact CG1-CZ 4.15Å; V276-V358 HydrophobicContact CG1-CG1 3.58Å; V276-Y434 HydrophobicContact CG2-CD1 3.56Å; V276-Y434 HydrophobicContact CG2-CD2 4.2Å; V276-Y434 HydrophobicContact CG2-CE1 4.05Å; V276-Y434 HydrophobicContact CG2-CG 3.66Å |
| 277 | I | 88.4 | Confident | 85.2 | Confident | 13 Ų | 13 | 33 Ų | 33 | 7% | 0.067 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -35.4 | -171.3 | 52.5 | 173 | 0 | 0 | 0 | 108.6 | A274 R275 F314 E427 K431 | A274-I277 WeakPolarHBondContact O-CG1 3.08Å; A274-I277 PolarHBondContact O-N 3.41Å; A274-I277 VanDerWaalsContact O-N 3.11Å; R275-I277 PolarHBondContact O-N 2.99Å; I277-F314 HydrophobicContact CB-CD1 4.11Å; I277-F314 HydrophobicContact CB-CE1 4.06Å; I277-F314 HydrophobicContact CG2-CD1 4.27Å; I277-F314 HydrophobicContact CG2-CE1 3.92Å; I277-F314 HydrophobicContact CG2-CE2 4.22Å; I277-F314 HydrophobicContact CG2-CZ 3.9Å; I277-E427 HydrophobicContact CD1-CB 4.18Å; I277-E427 HydrophobicContact CD1-CG 4.44Å; I277-E427 HydrophobicContact CG2-CB 4.36Å; I277-E427 HydrophobicContact CG2-CG 4.49Å; I277-K431 HydrophobicContact CD1-CD 3.96Å; I277-K431 HydrophobicContact CD1-CG 4.35Å; I277-K431 HydrophobicContact CG1-CD 4.46Å; I277-K431 HydrophobicContact CG2-CG 4Å |
| 278 | R | 83.2 | Confident | 85.5 | Confident | 135 Ų | 135 | 30 Ų | 30 | 51% | 0.509 | 16% | 0.16 | S | C | . | . | trans | -139.8 | 132.1 | -174.5 | -68.4 | -179.6 | -173.4 | -170.7 | 1.2 | 109 | A274 R275 E427 | A274-R278 PolarHBondContact O-N 2.4Å; R275-R278 WeakPolarHBondContact CA-O 3.13Å; R278-E427 IonicContact NE-OE1 3.05Å; R278-E427 IonicContact NH2-OE1 3.2Å; R278-E427 PolarHBondContact NH2-OE1 2.88Å; R278-E427 IonicContact NH2-OE2 3.19Å | ||
| 279 | Q | 85.2 | Confident | 85.8 | Confident | 19 Ų | 19 | 28.5 Ų | 28.5 | 9% | 0.089 | 15% | 0.151 | C | C | . | . | trans | -118.6 | 144.3 | 178.5 | -60.9 | 86.5 | 6.4 | 0 | 0 | 109.5 | R275 E283 S285 F314 S316 | R275-Q279 HydrophobicContact CG-CG 4.11Å; R275-Q279 PolarHBondContact O-NE2 2.78Å; Q279-E283 HydrophobicContact CB-CB 4.39Å; Q279-S285 PolarHBondContact NE2-OG 2.54Å; Q279-F314 VanDerWaalsContact CD-O 3.24Å; Q279-F314 PolarHBondContact NE2-O 3.3Å; Q279-F314 PolarHBondContact OE1-O 3.33Å; Q279-S316 PolarHBondContact O-OG 3.14Å; Q279-S316 PolarHBondContact OE1-OG 3.43Å | ||
| 280 | A | 81.4 | Confident | 86.5 | Confident | 49 Ų | 49 | 27.5 Ų | 27.5 | 41% | 0.405 | 15% | 0.147 | S | C | . | . | trans | -68.9 | 164.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D282 E283 N317 | A280-D282 PolarHBondContact O-N 3.23Å; A280-E283 HydrophobicContact CB-CB 4.4Å; A280-E283 HydrophobicContact CB-CG 4.02Å; A280-E283 WeakPolarHBondContact O-CB 3.47Å; A280-E283 PolarHBondContact O-N 1.51Å; A280-N317 PolarHBondContact O-ND2 3.27Å | ||
| 281 | V | 83.1 | Confident | 87.5 | Confident | 114 Ų | 114 | 25.6 Ų | 25.6 | 69% | 0.691 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 124.1 | -176.5 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | E283 | V281-E283 VanDerWaalsContact C-N 3.31Å; V281-E283 PolarHBondContact O-N 3.25Å |
| 282 | D | 84.2 | Confident | 87.9 | Confident | 105 Ų | 105 | 24.7 Ų | 24.7 | 56% | 0.561 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 15.3 | 176.6 | -72.7 | -22.3 | 0 | 0 | 0 | 110.8 | A280 N317 M320 | A280-D282 PolarHBondContact O-N 3.23Å; D282-N317 PolarHBondContact N-ND2 3.27Å; D282-M320 VanDerWaalsContact CA-CE 3.44Å; D282-M320 HydrophobicContact CB-CE 4.46Å |
| 283 | E | 87.3 | Confident | 88.5 | Confident | 7 Ų | 7 | 25 Ų | 25 | 3% | 0.033 | 13% | 0.134 | C | C | . | . | trans | -109.2 | 153.1 | 172.4 | -69.4 | -165.9 | 177.5 | 0 | 0 | 110.5 | K237 I239 R275 Q279 A280 V281 N317 | K237-E283 WeakPolarHBondContact O-CB 3.47Å; I239-E283 HydrophobicContact CG1-CG 4.01Å; R275-E283 IonicContact CZ-OE2 3.48Å; R275-E283 IonicContact NH1-OE2 3.95Å; R275-E283 PolarHBondContact NH1-OE2 2.75Å; R275-E283 IonicContact NH2-OE2 3.8Å; Q279-E283 HydrophobicContact CB-CB 4.39Å; A280-E283 HydrophobicContact CB-CB 4.4Å; A280-E283 HydrophobicContact CB-CG 4.02Å; A280-E283 WeakPolarHBondContact O-CB 3.47Å; A280-E283 PolarHBondContact O-N 1.51Å; V281-E283 VanDerWaalsContact C-N 3.31Å; V281-E283 PolarHBondContact O-N 3.25Å; E283-N317 PolarHBondContact N-ND2 1.6Å; E283-N317 PolarHBondContact O-ND2 2.76Å | ||
| 284 | R | 89.1 | Confident | 88.7 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -104.7 | 156.3 | 175.4 | -73.5 | -171.9 | 179.7 | -176.7 | -1.4 | 110.2 | K237 R275 Y290 M320 E321 L322 E327 | K237-R284 HydrophobicContact CB-CB 3.66Å; K237-R284 HydrophobicContact CB-CG 3.94Å; K237-R284 HydrophobicContact CD-CG 3.94Å; K237-R284 PolarHBondContact O-N 3.02Å; K237-R284 VanDerWaalsContact O-N 3.14Å; R275-R284 WeakPolarHBondContact CD-O 3.39Å; R284-Y290 HydrophobicContact CB-CE2 3.66Å; R284-Y290 HydrophobicContact CG-CE2 4.11Å; R284-M320 WeakPolarHBondContact CD-O 2.92Å; R284-M320 HydrophobicContact CG-CB 3.76Å; R284-M320 HydrophobicContact CG-CG 4.42Å; R284-M320 HydrophobicContact CG-SD 4.14Å; R284-M320 PolarHBondContact NE-O 3.09Å; R284-M320 PolarHBondContact NH1-O 2.54Å; R284-M320 CovalentContact NH2-O 0.99Å; R284-M320 PolarHBondContact NH2-O 3.37Å; R284-E321 VanDerWaalsContact CZ-CA 3.47Å; R284-E321 PolarHBondContact NH2-O 3.35Å; R284-E321 VanDerWaalsContact NH2-O 3.14Å; R284-L322 VanDerWaalsContact CZ-N 3.34Å; R284-E327 IonicContact NH1-OE1 2.25Å; R284-E327 PolarHBondContact NH1-OE1 2.55Å | ||
| 285 | S | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -75.3 | -169.2 | 167.3 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | A236 R275 Q279 F289 Y290 | A236-S285 WeakPolarHBondContact CB-O 3.33Å; R275-S285 PolarHBondContact O-OG 2.96Å; Q279-S285 PolarHBondContact NE2-OG 2.54Å; S285-F289 WeakPolarHBondContact OG-CD2 2.95Å; S285-Y290 PolarHBondContact N-OH 3.37Å; S285-Y290 VanDerWaalsContact N-OH 3.15Å | ||
| 286 | F | 93.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -59.5 | 146.9 | -178.3 | -66.4 | -71 | 0 | 0 | 0 | 111 | F233 G234 N235 A236 R246 L271 E272 R275 V276 I288 F289 Y434 | F233-F286 WeakPolarHBondContact O-CD1 3.18Å; F233-F286 WeakPolarHBondContact O-CG 3.13Å; G234-F286 WeakPolarHBondContact O-CE1 2.93Å; N235-F286 VanDerWaalsContact O-CA 3.29Å; N235-F286 WeakPolarHBondContact O-CA 3.27Å; A236-F286 HydrophobicContact CB-CD1 4.48Å; R246-F286 HydrophobicContact CB-CE1 4.1Å; L271-F286 HydrophobicContact CD1-CE1 3.9Å; L271-F286 HydrophobicContact CD1-CZ 3.74Å; L271-F286 HydrophobicContact CG-CZ 4.16Å; E272-F286 WeakPolarHBondContact O-CZ 3.39Å; R275-F286 HydrophobicContact CB-CE2 4.48Å; V276-F286 HydrophobicContact CG2-CD2 3.74Å; V276-F286 HydrophobicContact CG2-CE2 3.4Å; V276-F286 VanDerWaalsContact CG2-CE2 3.4Å; F286-I288 HydrophobicContact CB-CG2 4.27Å; F286-I288 PolarHBondContact O-N 3.27Å; F286-F289 HydrophobicContact CB-CD2 4.07Å; F286-F289 HydrophobicContact CB-CE2 4.1Å; F286-F289 HydrophobicContact CD2-CE2 4.14Å; F286-F289 WeakPolarHBondContact O-CD2 3.44Å; F286-F289 PolarHBondContact O-N 3.25Å; F286-Y434 WeakPolarHBondContact CB-OH 2.86Å; F286-Y434 HydrophobicContact CD1-CE1 4.46Å; F286-Y434 HydrophobicContact CD2-CD1 4.16Å; F286-Y434 AromaticContact CD2-CE1 3.25Å; F286-Y434 HydrophobicContact CD2-CE1 3.25Å; F286-Y434 HydrophobicContact CD2-CE2 4.04Å; F286-Y434 AromaticContact CD2-CZ 3.19Å; F286-Y434 WeakPolarHBondContact CD2-OH 3.26Å; F286-Y434 HydrophobicContact CE1-CE1 4.41Å; F286-Y434 AromaticContact CE2-CD1 3.88Å; F286-Y434 HydrophobicContact CE2-CD1 3.88Å; F286-Y434 AromaticContact CE2-CE1 3.19Å; F286-Y434 HydrophobicContact CE2-CE1 3.19Å; F286-Y434 AromaticContact CE2-CZ 3.7Å; F286-Y434 AromaticContact CG-CE1 3.93Å; F286-Y434 HydrophobicContact CG-CE1 3.93Å; F286-Y434 AromaticContact CG-CZ 3.61Å; F286-Y434 WeakPolarHBondContact CG-OH 3.3Å; F286-Y434 AromaticContact CZ-CE1 3.82Å; F286-Y434 HydrophobicContact CZ-CE1 3.82Å |
| 287 | H | 93.3 | Very high | 89.1 | Confident | 9 Ų | 9 | 30 Ų | 30 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -30.1 | -169.4 | -68.6 | -48.7 | 0 | 0 | 0 | 111.2 | A232 N235 D242 N243 F289 Y290 Q291 | A232-H287 PolarHBondContact O-N 3.25Å; N235-H287 VanDerWaalsContact CB-CD2 3.5Å; N235-H287 WeakPolarHBondContact CB-CD2 3.47Å; N235-H287 PolarHBondContact O-CD2 3.5Å; N235-H287 PolarHBondContact O-N 3.14Å; N235-H287 VanDerWaalsContact O-N 3.12Å; D242-H287 PolarHBondContact O-CE1 1.37Å; N243-H287 PolarHBondContact OD1-CD2 2.87Å; N243-H287 PolarHBondContact OD1-NE2 3.36Å; H287-F289 PolarHBondContact O-N 2.48Å; H287-F289 VanDerWaalsContact O-N 3.12Å; H287-Y290 PolarHBondContact O-N 2.39Å; H287-Q291 HydrophobicContact CB-CG 4.49Å; H287-Q291 WeakPolarHBondContact O-CG 3.2Å; H287-Q291 PolarHBondContact O-N 3.44Å |
| 288 | I | 94.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | 0 | -172.8 | -179.9 | 61.3 | 0 | 0 | 0 | 110 | A232 F233 F286 Y290 Q291 L292 F352 I355 Y434 | A232-I288 HydrophobicContact CB-CB 4.48Å; A232-I288 WeakPolarHBondContact O-CB 3.28Å; A232-I288 PolarHBondContact O-N 2.48Å; F233-I288 HydrophobicContact CD1-CB 4.44Å; F233-I288 HydrophobicContact CD1-CG1 4.42Å; F233-I288 HydrophobicContact CD1-CG2 4.11Å; F233-I288 HydrophobicContact CE1-CB 4.46Å; F233-I288 HydrophobicContact CE1-CG1 3.95Å; F233-I288 HydrophobicContact CE1-CG2 4.36Å; F233-I288 HydrophobicContact CE2-CD1 4.17Å; F233-I288 HydrophobicContact CE2-CG1 4.18Å; F233-I288 HydrophobicContact CG-CG2 4.49Å; F233-I288 HydrophobicContact CZ-CD1 4.1Å; F233-I288 HydrophobicContact CZ-CG1 3.81Å; F286-I288 HydrophobicContact CB-CG2 4.27Å; F286-I288 PolarHBondContact O-N 3.27Å; I288-Y290 VanDerWaalsContact C-N 3.27Å; I288-Y290 PolarHBondContact O-N 3.49Å; I288-Q291 PolarHBondContact O-N 2.43Å; I288-L292 VanDerWaalsContact O-CB 3.27Å; I288-L292 WeakPolarHBondContact O-CB 3.33Å; I288-L292 PolarHBondContact O-N 3.22Å; I288-F352 HydrophobicContact CD1-CE1 4.48Å; I288-I355 HydrophobicContact CD1-CD1 4.47Å; I288-I355 HydrophobicContact CG1-CD1 3.45Å; I288-I355 VanDerWaalsContact CG1-CD1 3.45Å; I288-I355 HydrophobicContact CG2-CD1 4.33Å; I288-Y434 HydrophobicContact CG2-CE2 4.33Å |
| 289 | F | 94.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | 0 | -39.8 | 0 | -71.3 | -66.8 | 0 | 0 | 0 | 110.4 | V276 S285 F286 H287 L293 L315 I355 V358 L359 Y434 | V276-F289 HydrophobicContact CG1-CZ 4.15Å; S285-F289 WeakPolarHBondContact OG-CD2 2.95Å; F286-F289 HydrophobicContact CB-CD2 4.07Å; F286-F289 HydrophobicContact CB-CE2 4.1Å; F286-F289 HydrophobicContact CD2-CE2 4.14Å; F286-F289 WeakPolarHBondContact O-CD2 3.44Å; F286-F289 PolarHBondContact O-N 3.25Å; H287-F289 PolarHBondContact O-N 2.48Å; H287-F289 VanDerWaalsContact O-N 3.12Å; F289-L293 WeakPolarHBondContact O-CG 3.49Å; F289-L293 PolarHBondContact O-N 3.43Å; F289-L293 VanDerWaalsContact O-N 3.15Å; F289-L315 HydrophobicContact CB-CD2 4.32Å; F289-I355 HydrophobicContact CD1-CG2 3.56Å; F289-I355 HydrophobicContact CE1-CG2 3.54Å; F289-V358 HydrophobicContact CE1-CG1 4.41Å; F289-V358 HydrophobicContact CZ-CG1 4.35Å; F289-L359 HydrophobicContact CD1-CD1 4.2Å; F289-L359 HydrophobicContact CD1-CD2 3.68Å; F289-L359 HydrophobicContact CD1-CG 3.88Å; F289-L359 HydrophobicContact CE1-CD2 4.08Å; F289-L359 HydrophobicContact CE1-CG 4.13Å; F289-L359 HydrophobicContact CG-CD2 4.41Å; F289-Y434 HydrophobicContact CE2-CD2 4.31Å; F289-Y434 AromaticContact CE2-CE2 3.82Å; F289-Y434 HydrophobicContact CE2-CE2 3.82Å; F289-Y434 AromaticContact CZ-CD2 3.81Å; F289-Y434 HydrophobicContact CZ-CD2 3.81Å; F289-Y434 AromaticContact CZ-CE2 3.7Å; F289-Y434 HydrophobicContact CZ-CE2 3.7Å | |
| 290 | Y | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -81.9 | -34.3 | -176 | -61.2 | -86.9 | 0 | 0 | 0 | 110.3 | R284 S285 H287 I288 L292 L293 A294 G318 M319 | R284-Y290 HydrophobicContact CB-CE2 3.66Å; R284-Y290 HydrophobicContact CG-CE2 4.11Å; S285-Y290 PolarHBondContact N-OH 3.37Å; S285-Y290 VanDerWaalsContact N-OH 3.15Å; H287-Y290 PolarHBondContact O-N 2.39Å; I288-Y290 VanDerWaalsContact C-N 3.27Å; I288-Y290 PolarHBondContact O-N 3.49Å; Y290-L292 VanDerWaalsContact C-N 3.25Å; Y290-L292 PolarHBondContact O-N 2.55Å; Y290-L293 PolarHBondContact O-N 2.55Å; Y290-A294 VanDerWaalsContact O-CB 3.29Å; Y290-A294 WeakPolarHBondContact O-CB 3.24Å; Y290-A294 PolarHBondContact O-N 3.29Å; Y290-G318 WeakPolarHBondContact CE1-O 3.07Å; Y290-M319 HydrophobicContact CD1-CE 4.46Å; Y290-M319 HydrophobicContact CD1-SD 3.75Å |
| 291 | Q | 92.1 | Very high | 90 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 176.8 | -67.7 | 175.2 | 1.6 | 0 | 0 | 111.3 | H287 I288 S295 E327 F331 | H287-Q291 HydrophobicContact CB-CG 4.49Å; H287-Q291 WeakPolarHBondContact O-CG 3.2Å; H287-Q291 PolarHBondContact O-N 3.44Å; I288-Q291 PolarHBondContact O-N 2.43Å; Q291-S295 WeakPolarHBondContact O-CB 3.4Å; Q291-S295 PolarHBondContact O-N 2.59Å; Q291-S295 VanDerWaalsContact O-N 3.12Å; Q291-S295 PolarHBondContact O-OG 3.49Å; Q291-E327 WeakPolarHBondContact CG-OE2 3.37Å; Q291-F331 HydrophobicContact CB-CB 4.06Å; Q291-F331 HydrophobicContact CB-CD2 3.88Å; Q291-F331 HydrophobicContact CB-CG 4.45Å |
| 292 | L | 92.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.1 | -40.6 | -179.2 | 177.3 | 64.4 | 0 | 0 | 0 | 110.5 | I288 Y290 A294 S295 A296 M300 L304 L306 F331 F352 I355 | I288-L292 VanDerWaalsContact O-CB 3.27Å; I288-L292 WeakPolarHBondContact O-CB 3.33Å; I288-L292 PolarHBondContact O-N 3.22Å; Y290-L292 VanDerWaalsContact C-N 3.25Å; Y290-L292 PolarHBondContact O-N 2.55Å; L292-A294 VanDerWaalsContact C-N 3.31Å; L292-A294 PolarHBondContact O-N 2.46Å; L292-S295 PolarHBondContact O-N 3.24Å; L292-A296 VanDerWaalsContact O-CB 3.27Å; L292-A296 WeakPolarHBondContact O-CB 2.87Å; L292-A296 PolarHBondContact O-N 2.41Å; L292-M300 HydrophobicContact CD1-CE 2.7Å; L292-M300 HydrophobicContact CD1-SD 4.03Å; L292-M300 HydrophobicContact CG-CE 4.13Å; L292-L304 HydrophobicContact CD1-CD1 4.18Å; L292-L304 HydrophobicContact CD2-CD1 4.48Å; L292-L306 HydrophobicContact CD1-CD1 4.43Å; L292-L306 HydrophobicContact CD2-CD1 4.2Å; L292-L306 HydrophobicContact CD2-CD2 4.34Å; L292-L306 HydrophobicContact CG-CD1 3.96Å; L292-F331 HydrophobicContact CB-CE2 4.5Å; L292-F331 HydrophobicContact CD1-CE2 4.03Å; L292-F331 HydrophobicContact CD1-CZ 4.1Å; L292-F352 HydrophobicContact CD1-CB 4.42Å; L292-F352 HydrophobicContact CD1-CD1 4.14Å; L292-F352 HydrophobicContact CD1-CG 4.19Å; L292-I355 HydrophobicContact CD2-CB 4.42Å; L292-I355 HydrophobicContact CD2-CG2 4.01Å |
| 293 | L | 91.9 | Very high | 90.6 | Very high | 22 Ų | 22 | 34.5 Ų | 34.5 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71 | -32.9 | -175.8 | -71.2 | 174.9 | 0 | 0 | 0 | 110.3 | F289 Y290 L306 N307 A309 Y312 L315 L359 | F289-L293 WeakPolarHBondContact O-CG 3.49Å; F289-L293 PolarHBondContact O-N 3.43Å; F289-L293 VanDerWaalsContact O-N 3.15Å; Y290-L293 PolarHBondContact O-N 2.55Å; L293-L306 HydrophobicContact CD2-CB 4.33Å; L293-L306 HydrophobicContact CD2-CD2 4.3Å; L293-N307 WeakPolarHBondContact CD2-O 3.3Å; L293-A309 HydrophobicContact CD1-CB 3.98Å; L293-Y312 HydrophobicContact CD1-CD2 4.4Å; L293-Y312 HydrophobicContact CD1-CE2 4.34Å; L293-Y312 HydrophobicContact CD2-CE2 3.85Å; L293-L315 HydrophobicContact CD1-CD1 3.68Å; L293-L359 HydrophobicContact CD2-CD1 4.35Å |
| 294 | A | 88.6 | Confident | 90.9 | Very high | 34 Ų | 34 | 34.4 Ų | 34.4 | 28% | 0.281 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -81 | -23.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y290 L292 M319 E327 | Y290-A294 VanDerWaalsContact O-CB 3.29Å; Y290-A294 WeakPolarHBondContact O-CB 3.24Å; Y290-A294 PolarHBondContact O-N 3.29Å; L292-A294 VanDerWaalsContact C-N 3.31Å; L292-A294 PolarHBondContact O-N 2.46Å; A294-M319 HydrophobicContact CB-CE 3.87Å; A294-E327 HydrophobicContact CB-CB 3.76Å |
| 295 | S | 90.5 | Very high | 91 | Very high | 24 Ų | 24 | 36.9 Ų | 36.9 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -110.5 | 0 | -169.8 | -60.7 | 0 | 0 | 0 | 0 | 110.5 | Q291 L292 T297 Q328 F331 | Q291-S295 WeakPolarHBondContact O-CB 3.4Å; Q291-S295 PolarHBondContact O-N 2.59Å; Q291-S295 VanDerWaalsContact O-N 3.12Å; Q291-S295 PolarHBondContact O-OG 3.49Å; L292-S295 PolarHBondContact O-N 3.24Å; S295-T297 PolarHBondContact O-N 3.29Å; S295-Q328 WeakPolarHBondContact OG-CA 2.92Å; S295-F331 WeakPolarHBondContact OG-CB 3.39Å |
| 296 | A | 86.5 | Confident | 91 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 10% | 0.099 | 21% | 0.214 | C | C | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.9 | L292 M300 Q301 L306 | L292-A296 VanDerWaalsContact O-CB 3.27Å; L292-A296 WeakPolarHBondContact O-CB 2.87Å; L292-A296 PolarHBondContact O-N 2.41Å; A296-M300 HydrophobicContact CB-CB 4.35Å; A296-M300 HydrophobicContact CB-SD 4.49Å; A296-Q301 HydrophobicContact CB-CG 3.55Å; A296-L306 HydrophobicContact CB-CD1 3.77Å | |||
| 297 | T | 88.2 | Confident | 90.8 | Very high | 79 Ų | 79 | 41.1 Ų | 41.1 | 49% | 0.485 | 23% | 0.233 | S | C | . | . | 0 | 151.3 | 0 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | S295 A299 M300 Q301 | S295-T297 PolarHBondContact O-N 3.29Å; T297-A299 PolarHBondContact O-N 2.42Å; T297-M300 CarbonylContact O-C 3.57Å; T297-M300 WeakPolarHBondContact O-CA 3.34Å; T297-M300 PolarHBondContact O-N 3.31Å; T297-M300 WeakPolarHBondContact OG1-CB 2.7Å; T297-M300 PolarHBondContact OG1-N 2.41Å; T297-Q301 WeakPolarHBondContact O-CG 3.1Å; T297-Q301 PolarHBondContact O-N 2.35Å | |||
| 298 | P | 89 | Confident | 90.5 | Very high | 97 Ų | 97 | 46.7 Ų | 46.7 | 63% | 0.63 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -48 | -34.1 | -179.3 | -27.8 | 34.4 | 0 | 0 | 0 | 111.6 | Q301 Q302 | P298-Q301 PolarHBondContact O-N 3.38Å; P298-Q302 WeakPolarHBondContact O-CG 3.28Å; P298-Q302 PolarHBondContact O-N 3.32Å; P298-Q302 VanDerWaalsContact O-N 3.11Å |
| 299 | A | 88.8 | Confident | 90.1 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 55% | 0.545 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | T297 Q301 Q302 Q303 | T297-A299 PolarHBondContact O-N 2.42Å; A299-Q301 PolarHBondContact O-N 2.64Å; A299-Q302 PolarHBondContact O-N 3.38Å; A299-Q303 WeakPolarHBondContact O-CB 3.14Å; A299-Q303 PolarHBondContact O-N 3.27Å |
| 300 | M | 89.5 | Confident | 89.7 | Confident | 24 Ų | 24 | 51 Ų | 51 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.1 | -32.2 | 179.8 | -166.5 | 173.7 | 167.1 | 0 | 0 | 110.6 | L292 A296 T297 Q302 Q303 L304 F331 F352 | L292-M300 HydrophobicContact CD1-CE 2.7Å; L292-M300 HydrophobicContact CD1-SD 4.03Å; L292-M300 HydrophobicContact CG-CE 4.13Å; A296-M300 HydrophobicContact CB-CB 4.35Å; A296-M300 HydrophobicContact CB-SD 4.49Å; T297-M300 CarbonylContact O-C 3.57Å; T297-M300 WeakPolarHBondContact O-CA 3.34Å; T297-M300 PolarHBondContact O-N 3.31Å; T297-M300 WeakPolarHBondContact OG1-CB 2.7Å; T297-M300 PolarHBondContact OG1-N 2.41Å; M300-Q302 VanDerWaalsContact C-N 3.28Å; M300-Q302 PolarHBondContact O-N 3.25Å; M300-Q303 PolarHBondContact O-N 2.45Å; M300-L304 HydrophobicContact CE-CD1 3.23Å; M300-L304 HydrophobicContact CG-CD1 3.43Å; M300-L304 VanDerWaalsContact CG-CD1 3.43Å; M300-L304 HydrophobicContact CG-CG 4.08Å; M300-L304 VanDerWaalsContact O-CB 3.32Å; M300-L304 WeakPolarHBondContact O-CB 3.22Å; M300-L304 WeakPolarHBondContact O-CG 3.3Å; M300-L304 PolarHBondContact O-N 3.26Å; M300-L304 HydrophobicContact SD-CD1 4.19Å; M300-F331 HydrophobicContact CE-CZ 4.19Å; M300-F352 HydrophobicContact CE-CB 4.02Å; M300-F352 HydrophobicContact CE-CD2 3.52Å; M300-F352 HydrophobicContact CE-CE2 4.08Å; M300-F352 HydrophobicContact CE-CG 3.79Å |
| 301 | Q | 88.9 | Confident | 89.5 | Confident | 84 Ų | 84 | 53.1 Ų | 53.1 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 179.4 | -76.4 | -179.8 | -14 | 0 | 0 | 110.8 | A296 T297 P298 A299 Q303 L305 L306 | A296-Q301 HydrophobicContact CB-CG 3.55Å; T297-Q301 WeakPolarHBondContact O-CG 3.1Å; T297-Q301 PolarHBondContact O-N 2.35Å; P298-Q301 PolarHBondContact O-N 3.38Å; A299-Q301 PolarHBondContact O-N 2.64Å; Q301-Q303 VanDerWaalsContact C-N 3.31Å; Q301-L305 CarbonylContact O-C 3.58Å; Q301-L305 WeakPolarHBondContact O-CA 2.33Å; Q301-L305 PolarHBondContact O-N 3.37Å; Q301-L306 PolarHBondContact O-N 2.2Å |
| 302 | Q | 90.3 | Very high | 89.5 | Confident | 155 Ų | 155 | 53 Ų | 53 | 72% | 0.724 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -72.8 | -37.4 | 180 | -76.5 | 179.2 | -2 | 0 | 0 | 111 | P298 A299 M300 L304 L305 | P298-Q302 WeakPolarHBondContact O-CG 3.28Å; P298-Q302 PolarHBondContact O-N 3.32Å; P298-Q302 VanDerWaalsContact O-N 3.11Å; A299-Q302 PolarHBondContact O-N 3.38Å; M300-Q302 VanDerWaalsContact C-N 3.28Å; M300-Q302 PolarHBondContact O-N 3.25Å; Q302-L304 VanDerWaalsContact C-N 3.34Å; Q302-L305 WeakPolarHBondContact O-CD2 3.25Å; Q302-L305 PolarHBondContact O-N 2.66Å |
| 303 | Q | 90.4 | Very high | 89.4 | Confident | 104 Ų | 104 | 59.6 Ų | 59.6 | 49% | 0.486 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.5 | -37.2 | -177.3 | -174.8 | -180 | -7.8 | 0 | 0 | 110.8 | A299 M300 Q301 L305 | A299-Q303 WeakPolarHBondContact O-CB 3.14Å; A299-Q303 PolarHBondContact O-N 3.27Å; M300-Q303 PolarHBondContact O-N 2.45Å; Q301-Q303 VanDerWaalsContact C-N 3.31Å; Q303-L305 VanDerWaalsContact C-N 3.28Å |
| 304 | L | 91.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -98.8 | 0.1 | -174 | -64.7 | 177.7 | 0 | 0 | 0 | 109.8 | L292 M300 Q302 L306 F352 R353 S356 | L292-L304 HydrophobicContact CD1-CD1 4.18Å; L292-L304 HydrophobicContact CD2-CD1 4.48Å; M300-L304 HydrophobicContact CE-CD1 3.23Å; M300-L304 HydrophobicContact CG-CD1 3.43Å; M300-L304 VanDerWaalsContact CG-CD1 3.43Å; M300-L304 HydrophobicContact CG-CG 4.08Å; M300-L304 VanDerWaalsContact O-CB 3.32Å; M300-L304 WeakPolarHBondContact O-CB 3.22Å; M300-L304 WeakPolarHBondContact O-CG 3.3Å; M300-L304 PolarHBondContact O-N 3.26Å; M300-L304 HydrophobicContact SD-CD1 4.19Å; Q302-L304 VanDerWaalsContact C-N 3.34Å; L304-L306 VanDerWaalsContact C-N 3.31Å; L304-L306 HydrophobicContact CB-CD1 3.91Å; L304-L306 HydrophobicContact CB-CD2 4.11Å; L304-L306 HydrophobicContact CB-CG 3.56Å; L304-L306 HydrophobicContact CD1-CD1 3.86Å; L304-L306 HydrophobicContact CD1-CG 4.45Å; L304-L306 PolarHBondContact O-N 2.33Å; L304-F352 HydrophobicContact CD1-CB 3.78Å; L304-F352 HydrophobicContact CD2-CB 4.26Å; L304-R353 HydrophobicContact CD2-CB 4.25Å; L304-R353 HydrophobicContact CD2-CG 3.44Å; L304-R353 VanDerWaalsContact CD2-CG 3.44Å; L304-S356 WeakPolarHBondContact O-CB 2.08Å; L304-S356 PolarHBondContact O-OG 3.4Å |
| 305 | L | 93.3 | Very high | 89.6 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 28% | 0.277 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 49.2 | 178.5 | -54.2 | 173.2 | 0 | 0 | 0 | 111 | Q301 Q302 Q303 H360 K385 L389 | Q301-L305 CarbonylContact O-C 3.58Å; Q301-L305 WeakPolarHBondContact O-CA 2.33Å; Q301-L305 PolarHBondContact O-N 3.37Å; Q302-L305 WeakPolarHBondContact O-CD2 3.25Å; Q302-L305 PolarHBondContact O-N 2.66Å; Q303-L305 VanDerWaalsContact C-N 3.28Å; L305-H360 PolarHBondContact O-CE1 3.12Å; L305-H360 PolarHBondContact O-NE2 3.44Å; L305-K385 HydrophobicContact CD1-CB 3.93Å; L305-K385 HydrophobicContact CD1-CD 4.47Å; L305-K385 HydrophobicContact CD1-CG 3.92Å; L305-L389 HydrophobicContact CD1-CG 4.43Å |
| 306 | L | 91.4 | Very high | 89.2 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 7% | 0.073 | 33% | 0.329 | C | S | . | . | trans | -93.3 | 145.4 | -174.8 | -65.1 | 173.9 | 0 | 0 | 0 | 109.7 | L292 L293 A296 Q301 L304 Y312 S356 L359 | L292-L306 HydrophobicContact CD1-CD1 4.43Å; L292-L306 HydrophobicContact CD2-CD1 4.2Å; L292-L306 HydrophobicContact CD2-CD2 4.34Å; L292-L306 HydrophobicContact CG-CD1 3.96Å; L293-L306 HydrophobicContact CD2-CB 4.33Å; L293-L306 HydrophobicContact CD2-CD2 4.3Å; A296-L306 HydrophobicContact CB-CD1 3.77Å; Q301-L306 PolarHBondContact O-N 2.2Å; L304-L306 VanDerWaalsContact C-N 3.31Å; L304-L306 HydrophobicContact CB-CD1 3.91Å; L304-L306 HydrophobicContact CB-CD2 4.11Å; L304-L306 HydrophobicContact CB-CG 3.56Å; L304-L306 HydrophobicContact CD1-CD1 3.86Å; L304-L306 HydrophobicContact CD1-CG 4.45Å; L304-L306 PolarHBondContact O-N 2.33Å; L306-Y312 VanDerWaalsContact C-OH 3.32Å; L306-Y312 WeakPolarHBondContact CA-OH 2.09Å; L306-S356 WeakPolarHBondContact CD2-OG 1.34Å; L306-L359 HydrophobicContact CD2-CD1 4.43Å | ||
| 307 | N | 88.3 | Confident | 89.2 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | trans | -119.7 | 0 | 175.2 | -64.3 | -37 | 0 | 0 | 0 | 109.6 | L293 A311 Y312 | L293-N307 WeakPolarHBondContact CD2-O 3.3Å; N307-A311 HydrophobicContact CB-CB 3.72Å; N307-Y312 HydrophobicContact CB-CE2 4.24Å; N307-Y312 PolarHBondContact N-OH 2.61Å; N307-Y312 WeakPolarHBondContact O-CE2 2.54Å | ||
| 308 | H | 87.3 | Confident | 89 | Confident | 126 Ų | 126 | 58.2 Ų | 58.2 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | 0 | 152.5 | 0 | -170.6 | -83.8 | 0 | 0 | 0 | 111.1 | S310 A311 | H308-S310 PolarHBondContact ND1-N 3.25Å; H308-S310 PolarHBondContact ND1-OG 2.42Å; H308-S310 PolarHBondContact O-N 3.27Å; H308-S310 VanDerWaalsContact O-N 3.14Å; H308-A311 WeakPolarHBondContact O-CB 2.68Å; H308-A311 PolarHBondContact O-N 2.64Å | |||
| 309 | A | 85.9 | Confident | 88.7 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -55 | -32.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111 | L293 A311 Y312 L315 M319 | L293-A309 HydrophobicContact CD1-CB 3.98Å; A309-A311 PolarHBondContact O-N 3.36Å; A309-A311 VanDerWaalsContact O-N 3.12Å; A309-Y312 PolarHBondContact O-N 2.53Å; A309-L315 HydrophobicContact CB-CD1 4.21Å; A309-M319 HydrophobicContact CB-CB 3.74Å; A309-M319 HydrophobicContact CB-SD 4.09Å |
| 310 | S | 85.9 | Confident | 88.4 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 62% | 0.622 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -73.4 | -10.5 | -177.1 | 54.2 | 0 | 0 | 0 | 0 | 111.2 | H308 Y312 | H308-S310 PolarHBondContact ND1-N 3.25Å; H308-S310 PolarHBondContact ND1-OG 2.42Å; H308-S310 PolarHBondContact O-N 3.27Å; H308-S310 VanDerWaalsContact O-N 3.14Å; S310-Y312 VanDerWaalsContact C-N 3.25Å; S310-Y312 PolarHBondContact O-N 3.35Å |
| 311 | A | 88.8 | Confident | 87.9 | Confident | 45 Ų | 45 | 62 Ų | 62 | 37% | 0.372 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -83.9 | -10 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N307 H308 A309 N363 | N307-A311 HydrophobicContact CB-CB 3.72Å; H308-A311 WeakPolarHBondContact O-CB 2.68Å; H308-A311 PolarHBondContact O-N 2.64Å; A309-A311 PolarHBondContact O-N 3.36Å; A309-A311 VanDerWaalsContact O-N 3.12Å; A311-N363 PolarHBondContact O-ND2 2.37Å; A311-N363 PolarHBondContact O-OD1 3.26Å |
| 312 | Y | 91.6 | Very high | 87.5 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | trans | -107.3 | 128.8 | -174.8 | -64.9 | -73.8 | 0 | 0 | 0 | 109.4 | L293 L306 N307 A309 S310 F314 L315 L359 N363 | L293-Y312 HydrophobicContact CD1-CD2 4.4Å; L293-Y312 HydrophobicContact CD1-CE2 4.34Å; L293-Y312 HydrophobicContact CD2-CE2 3.85Å; L306-Y312 VanDerWaalsContact C-OH 3.32Å; L306-Y312 WeakPolarHBondContact CA-OH 2.09Å; N307-Y312 HydrophobicContact CB-CE2 4.24Å; N307-Y312 PolarHBondContact N-OH 2.61Å; N307-Y312 WeakPolarHBondContact O-CE2 2.54Å; A309-Y312 PolarHBondContact O-N 2.53Å; S310-Y312 VanDerWaalsContact C-N 3.25Å; S310-Y312 PolarHBondContact O-N 3.35Å; Y312-F314 VanDerWaalsContact C-N 3.28Å; Y312-F314 PolarHBondContact O-N 2.49Å; Y312-L315 HydrophobicContact CD2-CD1 4.14Å; Y312-L315 PolarHBondContact O-N 2.51Å; Y312-L359 HydrophobicContact CD1-CB 3.49Å; Y312-L359 VanDerWaalsContact CD1-CB 3.49Å; Y312-L359 HydrophobicContact CD1-CD2 4.43Å; Y312-L359 HydrophobicContact CD1-CG 4.41Å; Y312-L359 WeakPolarHBondContact CD1-O 3.33Å; Y312-L359 HydrophobicContact CD2-CD1 4.5Å; Y312-L359 HydrophobicContact CD2-CD2 4.47Å; Y312-L359 HydrophobicContact CE1-CB 3.53Å; Y312-L359 HydrophobicContact CE1-CD1 4.41Å; Y312-L359 HydrophobicContact CE2-CD1 4.23Å; Y312-L359 HydrophobicContact CG-CB 4.09Å; Y312-L359 HydrophobicContact CG-CD2 4.17Å; Y312-N363 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 313 | R | 91.1 | Very high | 86.9 | Confident | 138 Ų | 138 | 55.6 Ų | 55.6 | 52% | 0.521 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -32.6 | -178.8 | -177.5 | 173.9 | 177.4 | 170.9 | -1.3 | 111 | L315 G362 N363 | R313-L315 PolarHBondContact O-N 2.7Å; R313-L315 VanDerWaalsContact O-N 3.15Å; R313-G362 VanDerWaalsContact CB-O 3.24Å; R313-G362 WeakPolarHBondContact CB-O 3.06Å; R313-G362 WeakPolarHBondContact CD-O 2.25Å; R313-N363 PolarHBondContact N-OD1 3.23Å |
| 314 | F | 92.3 | Very high | 86.1 | Confident | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -15.8 | -178.2 | -80.9 | -10.6 | 0 | 0 | 0 | 110.6 | I277 Q279 Y312 V358 L361 G362 E427 S430 | I277-F314 HydrophobicContact CB-CD1 4.11Å; I277-F314 HydrophobicContact CB-CE1 4.06Å; I277-F314 HydrophobicContact CG2-CD1 4.27Å; I277-F314 HydrophobicContact CG2-CE1 3.92Å; I277-F314 HydrophobicContact CG2-CE2 4.22Å; I277-F314 HydrophobicContact CG2-CZ 3.9Å; Q279-F314 VanDerWaalsContact CD-O 3.24Å; Q279-F314 PolarHBondContact NE2-O 3.3Å; Q279-F314 PolarHBondContact OE1-O 3.33Å; Y312-F314 VanDerWaalsContact C-N 3.28Å; Y312-F314 PolarHBondContact O-N 2.49Å; F314-V358 HydrophobicContact CD2-CG1 4.45Å; F314-V358 WeakPolarHBondContact CD2-O 2.56Å; F314-V358 VanDerWaalsContact CE2-O 3.3Å; F314-V358 WeakPolarHBondContact CE2-O 3.46Å; F314-L361 HydrophobicContact CE2-CB 4.22Å; F314-G362 VanDerWaalsContact CE1-CA 3.4Å; F314-G362 VanDerWaalsContact CE2-N 3.26Å; F314-E427 HydrophobicContact CE1-CG 4.4Å; F314-S430 WeakPolarHBondContact CE2-OG 3.5Å |
| 315 | L | 91.4 | Very high | 85.4 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | trans | -102.2 | 80.5 | 172.4 | -57.2 | -179.3 | 0 | 0 | 0 | 109.8 | F289 L293 A309 Y312 R313 N317 G318 L359 | F289-L315 HydrophobicContact CB-CD2 4.32Å; L293-L315 HydrophobicContact CD1-CD1 3.68Å; A309-L315 HydrophobicContact CB-CD1 4.21Å; Y312-L315 HydrophobicContact CD2-CD1 4.14Å; Y312-L315 PolarHBondContact O-N 2.51Å; R313-L315 PolarHBondContact O-N 2.7Å; R313-L315 VanDerWaalsContact O-N 3.15Å; L315-N317 PolarHBondContact O-N 3.3Å; L315-N317 VanDerWaalsContact O-N 3.16Å; L315-G318 PolarHBondContact O-N 2.39Å; L315-G318 VanDerWaalsContact O-N 3.08Å; L315-L359 HydrophobicContact CD1-CD2 4Å; L315-L359 HydrophobicContact CD2-CD2 4.27Å; L315-L359 HydrophobicContact CG-CD2 3.99Å | ||
| 316 | S | 82.9 | Confident | 85 | Confident | 65 Ų | 65 | 58.3 Ų | 58.3 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -22.7 | -165 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | Q279 | Q279-S316 PolarHBondContact O-OG 3.14Å; Q279-S316 PolarHBondContact OE1-OG 3.43Å |
| 317 | N | 85.7 | Confident | 84.8 | Confident | 51 Ų | 51 | 58.4 Ų | 58.4 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 17.8 | -176.1 | -65.1 | -35.7 | 0 | 0 | 0 | 110.4 | A280 D282 E283 L315 M320 | A280-N317 PolarHBondContact O-ND2 3.27Å; D282-N317 PolarHBondContact N-ND2 3.27Å; E283-N317 PolarHBondContact N-ND2 1.6Å; E283-N317 PolarHBondContact O-ND2 2.76Å; L315-N317 PolarHBondContact O-N 3.3Å; L315-N317 VanDerWaalsContact O-N 3.16Å; N317-M320 HydrophobicContact CB-CE 4.02Å |
| 318 | G | 85.4 | Confident | 84.8 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 14% | 0.144 | 34% | 0.341 | C | S | . | . | trans | 60.9 | 0 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y290 L315 M320 | Y290-G318 WeakPolarHBondContact CE1-O 3.07Å; L315-G318 PolarHBondContact O-N 2.39Å; L315-G318 VanDerWaalsContact O-N 3.08Å; G318-M320 PolarHBondContact O-N 2.7Å | ||
| 319 | M | 82.8 | Confident | 84.9 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 32% | 0.32 | 33% | 0.333 | S | S | . | . | 0 | 97.3 | 0 | -172.3 | 75.5 | -174.7 | 0 | 0 | 109.5 | Y290 A294 A309 E327 | Y290-M319 HydrophobicContact CD1-CE 4.46Å; Y290-M319 HydrophobicContact CD1-SD 3.75Å; A294-M319 HydrophobicContact CB-CE 3.87Å; A309-M319 HydrophobicContact CB-CB 3.74Å; A309-M319 HydrophobicContact CB-SD 4.09Å; M319-E327 HydrophobicContact CE-CG 4.4Å | |||
| 320 | M | 81.6 | Confident | 85.1 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 17% | 0.172 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 0 | 176.2 | -167.2 | 176.2 | -75.5 | 0 | 0 | 109.7 | K237 D282 R284 N317 G318 | K237-M320 HydrophobicContact CD-SD 3.79Å; D282-M320 VanDerWaalsContact CA-CE 3.44Å; D282-M320 HydrophobicContact CB-CE 4.46Å; R284-M320 WeakPolarHBondContact CD-O 2.92Å; R284-M320 HydrophobicContact CG-CB 3.76Å; R284-M320 HydrophobicContact CG-CG 4.42Å; R284-M320 HydrophobicContact CG-SD 4.14Å; R284-M320 PolarHBondContact NE-O 3.09Å; R284-M320 PolarHBondContact NH1-O 2.54Å; R284-M320 CovalentContact NH2-O 0.99Å; R284-M320 PolarHBondContact NH2-O 3.37Å; N317-M320 HydrophobicContact CB-CE 4.02Å; G318-M320 PolarHBondContact O-N 2.7Å |
| 321 | E | 79.2 | Confident | 85.4 | Confident | 165 Ų | 165 | 57.4 Ų | 57.4 | 77% | 0.771 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | 0 | 128.5 | 0 | -69.3 | -176.6 | 172.9 | 0 | 0 | 110.1 | R284 | R284-E321 VanDerWaalsContact CZ-CA 3.47Å; R284-E321 PolarHBondContact NH2-O 3.35Å; R284-E321 VanDerWaalsContact NH2-O 3.14Å | |
| 322 | L | 80.3 | Confident | 85.5 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 135.2 | 177.3 | -67.1 | 171.7 | 0 | 0 | 0 | 109.7 | K237 D242 R284 G324 I325 | K237-L322 HydrophobicContact CB-CD2 3.93Å; K237-L322 HydrophobicContact CD-CD2 3.25Å; K237-L322 HydrophobicContact CG-CD2 3.8Å; D242-L322 HydrophobicContact CB-CD2 3.98Å; R284-L322 VanDerWaalsContact CZ-N 3.34Å; L322-G324 PolarHBondContact O-N 2.45Å; L322-I325 HydrophobicContact CB-CB 3.95Å; L322-I325 HydrophobicContact CB-CD1 3.74Å; L322-I325 HydrophobicContact CB-CG1 4.22Å; L322-I325 HydrophobicContact CD1-CD1 3.62Å; L322-I325 HydrophobicContact CG-CD1 4.32Å; L322-I325 PolarHBondContact O-N 2.34Å |
| 323 | P | 77.7 | Confident | 85.5 | Confident | 94 Ų | 94 | 66 Ų | 66 | 61% | 0.61 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 0 | -179.7 | -0.8 | 7.2 | 0 | 0 | 0 | 111.8 | ||
| 324 | G | 72.6 | Confident | 85.6 | Confident | 93 Ų | 93 | 59.6 Ų | 59.6 | 96% | 0.959 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 4.3 | 0 | 0 | 0 | 0 | 0 | 0 | 111.6 | L322 | L322-G324 PolarHBondContact O-N 2.45Š| |
| 325 | I | 78.2 | Confident | 85.6 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | trans | -120.3 | 0 | -176.3 | -65.3 | 174.2 | 0 | 0 | 0 | 107.8 | L322 F330 | L322-I325 HydrophobicContact CB-CB 3.95Å; L322-I325 HydrophobicContact CB-CD1 3.74Å; L322-I325 HydrophobicContact CB-CG1 4.22Å; L322-I325 HydrophobicContact CD1-CD1 3.62Å; L322-I325 HydrophobicContact CG-CD1 4.32Å; L322-I325 PolarHBondContact O-N 2.34Å; I325-F330 HydrophobicContact CB-CE2 4.17Å; I325-F330 HydrophobicContact CG1-CE2 4.36Å; I325-F330 HydrophobicContact CG2-CD2 3.37Å; I325-F330 HydrophobicContact CG2-CE2 3.16Å; I325-F330 HydrophobicContact CG2-CG 4.29Å; I325-F330 HydrophobicContact CG2-CZ 3.96Å | ||
| 326 | D | 84.4 | Confident | 85.6 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 40% | 0.401 | 35% | 0.351 | S | S | . | . | 0 | 112.1 | 0 | -174.9 | 0.1 | 0 | 0 | 0 | 110.6 | Q328 Q329 F330 | D326-Q328 PolarHBondContact O-N 3.37Å; D326-Q328 PolarHBondContact OD1-N 3.23Å; D326-Q328 VanDerWaalsContact OD1-N 3.15Å; D326-Q329 HydrophobicContact CB-CB 3.93Å; D326-Q329 WeakPolarHBondContact O-CB 3.48Å; D326-Q329 PolarHBondContact O-N 3.17Å; D326-Q329 VanDerWaalsContact O-N 3.14Å; D326-F330 WeakPolarHBondContact O-CD2 3.47Å; D326-F330 PolarHBondContact O-N 3.28Å | |||
| 327 | E | 87.2 | Confident | 86 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 7% | 0.07 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.8 | -30.5 | -173.6 | -66.5 | -73.9 | 171.9 | 0 | 0 | 110.7 | R284 Q291 A294 M319 Q329 F330 F331 | R284-E327 IonicContact NH1-OE1 2.25Å; R284-E327 PolarHBondContact NH1-OE1 2.55Å; Q291-E327 WeakPolarHBondContact CG-OE2 3.37Å; A294-E327 HydrophobicContact CB-CB 3.76Å; M319-E327 HydrophobicContact CE-CG 4.4Å; E327-Q329 VanDerWaalsContact C-N 3.3Å; E327-Q329 PolarHBondContact O-N 3.25Å; E327-F330 PolarHBondContact O-N 3.38Å; E327-F331 WeakPolarHBondContact O-CB 2.47Å; E327-F331 PolarHBondContact O-N 2.51Å |
| 328 | Q | 88.3 | Confident | 86.3 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 46% | 0.458 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | -179.8 | -72.7 | -179.1 | 3.9 | 0 | 0 | 110.8 | S295 D326 F330 F331 R332 | S295-Q328 WeakPolarHBondContact OG-CA 2.92Å; D326-Q328 PolarHBondContact O-N 3.37Å; D326-Q328 PolarHBondContact OD1-N 3.23Å; D326-Q328 VanDerWaalsContact OD1-N 3.15Å; Q328-F330 PolarHBondContact O-N 2.35Å; Q328-F331 PolarHBondContact O-N 2.78Å; Q328-R332 WeakPolarHBondContact O-CG 3.22Å; Q328-R332 PolarHBondContact O-N 2.68Å; Q328-R332 VanDerWaalsContact O-N 3.07Å |
| 329 | Q | 90 | Very high | 86.6 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 178.3 | -177.3 | 179.1 | 4.2 | 0 | 0 | 111 | D326 E327 F331 R332 E333 | D326-Q329 HydrophobicContact CB-CB 3.93Å; D326-Q329 WeakPolarHBondContact O-CB 3.48Å; D326-Q329 PolarHBondContact O-N 3.17Å; D326-Q329 VanDerWaalsContact O-N 3.14Å; E327-Q329 VanDerWaalsContact C-N 3.3Å; E327-Q329 PolarHBondContact O-N 3.25Å; Q329-F331 PolarHBondContact O-N 3.43Å; Q329-R332 WeakPolarHBondContact O-CB 2.75Å; Q329-R332 PolarHBondContact O-N 3.46Å; Q329-E333 WeakPolarHBondContact O-CG 1.4Å; Q329-E333 PolarHBondContact O-N 2.55Å |
| 330 | F | 88.8 | Confident | 86.8 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.9 | -36.6 | -178.9 | -90 | -92 | 0 | 0 | 0 | 110.6 | I325 D326 E327 Q328 R332 E333 T334 | I325-F330 HydrophobicContact CB-CE2 4.17Å; I325-F330 HydrophobicContact CG1-CE2 4.36Å; I325-F330 HydrophobicContact CG2-CD2 3.37Å; I325-F330 HydrophobicContact CG2-CE2 3.16Å; I325-F330 HydrophobicContact CG2-CG 4.29Å; I325-F330 HydrophobicContact CG2-CZ 3.96Å; D326-F330 WeakPolarHBondContact O-CD2 3.47Å; D326-F330 PolarHBondContact O-N 3.28Å; E327-F330 PolarHBondContact O-N 3.38Å; Q328-F330 PolarHBondContact O-N 2.35Å; F330-R332 PolarHBondContact O-N 2.53Å; F330-E333 PolarHBondContact O-N 3.27Å; F330-T334 WeakPolarHBondContact O-CB 3.44Å; F330-T334 PolarHBondContact O-N 3.39Å; F330-T334 PolarHBondContact O-OG1 3.32Å |
| 331 | F | 92.6 | Very high | 87.2 | Confident | 22 Ų | 22 | 61.5 Ų | 61.5 | 10% | 0.096 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.8 | -39 | 176.5 | -176.7 | -106.2 | 0 | 0 | 0 | 110.2 | Q291 L292 S295 M300 E327 Q328 Q329 E333 T334 T335 F352 | Q291-F331 HydrophobicContact CB-CB 4.06Å; Q291-F331 HydrophobicContact CB-CD2 3.88Å; Q291-F331 HydrophobicContact CB-CG 4.45Å; L292-F331 HydrophobicContact CB-CE2 4.5Å; L292-F331 HydrophobicContact CD1-CE2 4.03Å; L292-F331 HydrophobicContact CD1-CZ 4.1Å; S295-F331 WeakPolarHBondContact OG-CB 3.39Å; M300-F331 HydrophobicContact CE-CZ 4.19Å; E327-F331 WeakPolarHBondContact O-CB 2.47Å; E327-F331 PolarHBondContact O-N 2.51Å; Q328-F331 PolarHBondContact O-N 2.78Å; Q329-F331 PolarHBondContact O-N 3.43Å; F331-E333 VanDerWaalsContact C-N 3.27Å; F331-E333 PolarHBondContact O-N 2.45Å; F331-T334 PolarHBondContact O-N 2.28Å; F331-T335 HydrophobicContact CD1-CG2 4.13Å; F331-T335 HydrophobicContact CE1-CG2 3.77Å; F331-T335 HydrophobicContact CE2-CG2 4.29Å; F331-T335 HydrophobicContact CZ-CG2 3.86Å; F331-T335 WeakPolarHBondContact O-CG2 3.46Å; F331-T335 PolarHBondContact O-N 3.25Å; F331-T335 PolarHBondContact O-OG1 3.45Å; F331-T335 VanDerWaalsContact O-OG1 3.08Å; F331-F352 HydrophobicContact CE2-CE1 4.02Å; F331-F352 AromaticContact CE2-CZ 3.95Å; F331-F352 HydrophobicContact CE2-CZ 3.95Å; F331-F352 HydrophobicContact CZ-CE1 4.28Å; F331-F352 HydrophobicContact CZ-CE2 4.16Å; F331-F352 AromaticContact CZ-CZ 3.8Å; F331-F352 HydrophobicContact CZ-CZ 3.8Å |
| 332 | R | 92.3 | Very high | 87.5 | Confident | 152 Ų | 152 | 55.6 Ų | 55.6 | 57% | 0.574 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.6 | -39.3 | 178.2 | -77 | -165.3 | -68.8 | -125.9 | -0.7 | 110.6 | Q328 Q329 F330 T334 T335 E336 | Q328-R332 WeakPolarHBondContact O-CG 3.22Å; Q328-R332 PolarHBondContact O-N 2.68Å; Q328-R332 VanDerWaalsContact O-N 3.07Å; Q329-R332 WeakPolarHBondContact O-CB 2.75Å; Q329-R332 PolarHBondContact O-N 3.46Å; F330-R332 PolarHBondContact O-N 2.53Å; R332-T334 VanDerWaalsContact C-N 3.25Å; R332-T334 PolarHBondContact O-N 2.35Å; R332-T335 VanDerWaalsContact C-OG1 3.3Å; R332-T335 VanDerWaalsContact CA-OG1 3.27Å; R332-T335 WeakPolarHBondContact CA-OG1 3.15Å; R332-T335 PolarHBondContact O-N 2.7Å; R332-T335 PolarHBondContact O-OG1 2.63Å; R332-E336 VanDerWaalsContact O-CB 3.29Å; R332-E336 WeakPolarHBondContact O-CB 2.91Å; R332-E336 PolarHBondContact O-N 2.72Å |
| 333 | E | 90.8 | Very high | 88 | Confident | 77 Ų | 77 | 55.1 Ų | 55.1 | 36% | 0.36 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 178.1 | -74.1 | 179 | -174.4 | 0 | 0 | 111.4 | Q329 F330 F331 E336 A337 | Q329-E333 WeakPolarHBondContact O-CG 1.4Å; Q329-E333 PolarHBondContact O-N 2.55Å; F330-E333 PolarHBondContact O-N 3.27Å; F331-E333 VanDerWaalsContact C-N 3.27Å; F331-E333 PolarHBondContact O-N 2.45Å; E333-E336 PolarHBondContact O-N 3.34Å; E333-A337 VanDerWaalsContact O-CB 3.26Å; E333-A337 WeakPolarHBondContact O-CB 3.24Å; E333-A337 PolarHBondContact O-N 2.58Å |
| 334 | T | 92.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 179.9 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | A232 F330 F331 R332 E336 A337 M338 | A232-T334 HydrophobicContact CB-CG2 3.84Å; F330-T334 WeakPolarHBondContact O-CB 3.44Å; F330-T334 PolarHBondContact O-N 3.39Å; F330-T334 PolarHBondContact O-OG1 3.32Å; F331-T334 PolarHBondContact O-N 2.28Å; R332-T334 VanDerWaalsContact C-N 3.25Å; R332-T334 PolarHBondContact O-N 2.35Å; T334-E336 VanDerWaalsContact C-N 3.34Å; T334-A337 WeakPolarHBondContact O-CB 2.76Å; T334-A337 PolarHBondContact O-N 2.75Å; T334-M338 HydrophobicContact CG2-CE 3.75Å; T334-M338 VanDerWaalsContact O-CG 3.28Å; T334-M338 WeakPolarHBondContact O-CG 3.3Å; T334-M338 PolarHBondContact O-N 2.78Å |
| 335 | T | 92.3 | Very high | 89.5 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 17% | 0.172 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.4 | -37.6 | -179 | 49.1 | 0 | 0 | 0 | 0 | 109.9 | F331 R332 A337 M338 D339 F352 | F331-T335 HydrophobicContact CD1-CG2 4.13Å; F331-T335 HydrophobicContact CE1-CG2 3.77Å; F331-T335 HydrophobicContact CE2-CG2 4.29Å; F331-T335 HydrophobicContact CZ-CG2 3.86Å; F331-T335 WeakPolarHBondContact O-CG2 3.46Å; F331-T335 PolarHBondContact O-N 3.25Å; F331-T335 PolarHBondContact O-OG1 3.45Å; F331-T335 VanDerWaalsContact O-OG1 3.08Å; R332-T335 VanDerWaalsContact C-OG1 3.3Å; R332-T335 VanDerWaalsContact CA-OG1 3.27Å; R332-T335 WeakPolarHBondContact CA-OG1 3.15Å; R332-T335 PolarHBondContact O-N 2.7Å; R332-T335 PolarHBondContact O-OG1 2.63Å; T335-A337 VanDerWaalsContact C-N 3.27Å; T335-M338 WeakPolarHBondContact O-CB 2.6Å; T335-M338 PolarHBondContact O-N 3.24Å; T335-D339 PolarHBondContact O-N 2.47Å; T335-F352 HydrophobicContact CG2-CZ 4.23Å |
| 336 | E | 91.4 | Very high | 90.1 | Very high | 106 Ų | 106 | 59.4 Ų | 59.4 | 50% | 0.495 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 175.5 | -174.1 | -179.4 | 179.7 | 0 | 0 | 111 | R332 E333 T334 M338 D339 I340 | R332-E336 VanDerWaalsContact O-CB 3.29Å; R332-E336 WeakPolarHBondContact O-CB 2.91Å; R332-E336 PolarHBondContact O-N 2.72Å; E333-E336 PolarHBondContact O-N 3.34Å; T334-E336 VanDerWaalsContact C-N 3.34Å; E336-M338 VanDerWaalsContact C-N 3.25Å; E336-M338 PolarHBondContact O-N 2.98Å; E336-D339 WeakPolarHBondContact O-CB 1.73Å; E336-D339 PolarHBondContact O-N 3.2Å; E336-D339 VanDerWaalsContact O-N 3.14Å; E336-I340 HydrophobicContact CG-CD1 4.35Å; E336-I340 WeakPolarHBondContact O-CG1 2.97Å; E336-I340 PolarHBondContact O-N 3.37Å |
| 337 | A | 91.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K225 P228 I229 E333 T334 T335 D339 I340 M341 | K225-A337 HydrophobicContact CB-CB 4.2Å; K225-A337 WeakPolarHBondContact O-CB 2.41Å; P228-A337 HydrophobicContact CB-CB 4.26Å; I229-A337 HydrophobicContact CD1-CB 4.13Å; I229-A337 HydrophobicContact CG1-CB 3.75Å; E333-A337 VanDerWaalsContact O-CB 3.26Å; E333-A337 WeakPolarHBondContact O-CB 3.24Å; E333-A337 PolarHBondContact O-N 2.58Å; T334-A337 WeakPolarHBondContact O-CB 2.76Å; T334-A337 PolarHBondContact O-N 2.75Å; T335-A337 VanDerWaalsContact C-N 3.27Å; A337-D339 PolarHBondContact O-N 3.31Å; A337-I340 PolarHBondContact O-N 3.27Å; A337-M341 WeakPolarHBondContact O-CB 3.38Å; A337-M341 VanDerWaalsContact O-CG 3.25Å; A337-M341 WeakPolarHBondContact O-CG 2.52Å; A337-M341 PolarHBondContact O-N 3.31Å |
| 338 | M | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.7 | -32 | 178.4 | -74.1 | -175.5 | -176.6 | 0 | 0 | 110.4 | I229 F233 T334 T335 E336 M341 G342 I343 Q348 | I229-M338 HydrophobicContact CD1-CG 3.99Å; I229-M338 HydrophobicContact CG1-CG 4.08Å; I229-M338 HydrophobicContact CG2-CE 4.45Å; F233-M338 HydrophobicContact CD2-CE 4.46Å; F233-M338 HydrophobicContact CE2-CE 3.31Å; F233-M338 HydrophobicContact CZ-CE 3.78Å; T334-M338 HydrophobicContact CG2-CE 3.75Å; T334-M338 VanDerWaalsContact O-CG 3.28Å; T334-M338 WeakPolarHBondContact O-CG 3.3Å; T334-M338 PolarHBondContact O-N 2.78Å; T335-M338 WeakPolarHBondContact O-CB 2.6Å; T335-M338 PolarHBondContact O-N 3.24Å; E336-M338 VanDerWaalsContact C-N 3.25Å; E336-M338 PolarHBondContact O-N 2.98Å; M338-M341 PolarHBondContact O-N 1.78Å; M338-G342 PolarHBondContact O-N 2.64Å; M338-I343 HydrophobicContact CB-CB 4.08Å; M338-I343 HydrophobicContact CB-CD1 4.21Å; M338-I343 HydrophobicContact CG-CD1 4.03Å; M338-I343 WeakPolarHBondContact O-CB 3.22Å; M338-I343 PolarHBondContact O-N 2.57Å; M338-Q348 HydrophobicContact CB-CG 4.3Å; M338-Q348 HydrophobicContact SD-CG 3.98Å |
| 339 | D | 91.3 | Very high | 90.9 | Very high | 86 Ų | 86 | 55.6 Ų | 55.6 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.9 | -40.8 | 178.3 | -72.7 | -21 | 0 | 0 | 0 | 110.7 | T335 E336 A337 M341 G342 Q348 | T335-D339 PolarHBondContact O-N 2.47Å; E336-D339 WeakPolarHBondContact O-CB 1.73Å; E336-D339 PolarHBondContact O-N 3.2Å; E336-D339 VanDerWaalsContact O-N 3.14Å; A337-D339 PolarHBondContact O-N 3.31Å; D339-M341 PolarHBondContact O-N 2.24Å; D339-G342 PolarHBondContact O-N 3.36Å; D339-G342 VanDerWaalsContact O-N 3.11Å; D339-Q348 PolarHBondContact OD1-NE2 2.16Å |
| 340 | I | 87.4 | Confident | 91 | Very high | 61 Ų | 61 | 51.4 Ų | 51.4 | 31% | 0.313 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70 | 0 | -178.7 | -68.8 | 175.3 | 0 | 0 | 0 | 109.7 | Q222 K225 E336 A337 G342 | Q222-I340 HydrophobicContact CG-CG2 4.13Å; K225-I340 HydrophobicContact CB-CG2 4.47Å; K225-I340 HydrophobicContact CD-CD1 4.13Å; K225-I340 HydrophobicContact CG-CB 4.48Å; K225-I340 HydrophobicContact CG-CD1 3.8Å; K225-I340 HydrophobicContact CG-CG2 4.22Å; E336-I340 HydrophobicContact CG-CD1 4.35Å; E336-I340 WeakPolarHBondContact O-CG1 2.97Å; E336-I340 PolarHBondContact O-N 3.37Å; A337-I340 PolarHBondContact O-N 3.27Å; I340-G342 PolarHBondContact O-N 3.48Å |
| 341 | M | 88.1 | Confident | 91.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | 0 | -3.9 | 0 | -75.9 | -58.6 | -63.4 | 0 | 0 | 110.5 | Q222 A226 I229 A337 M338 D339 I445 T448 L449 | Q222-M341 HydrophobicContact CB-SD 3.71Å; Q222-M341 HydrophobicContact CG-SD 4.26Å; A226-M341 HydrophobicContact CB-CE 4.46Å; A226-M341 HydrophobicContact CB-SD 4.38Å; I229-M341 HydrophobicContact CD1-CB 4.09Å; I229-M341 HydrophobicContact CD1-CG 3.53Å; A337-M341 WeakPolarHBondContact O-CB 3.38Å; A337-M341 VanDerWaalsContact O-CG 3.25Å; A337-M341 WeakPolarHBondContact O-CG 2.52Å; A337-M341 PolarHBondContact O-N 3.31Å; M338-M341 PolarHBondContact O-N 1.78Å; D339-M341 PolarHBondContact O-N 2.24Å; M341-I445 HydrophobicContact CE-CB 3.79Å; M341-I445 HydrophobicContact CE-CG1 3.89Å; M341-I445 HydrophobicContact CE-CG2 3.24Å; M341-T448 HydrophobicContact CE-CG2 4.49Å; M341-T448 VanDerWaalsContact O-CG2 3.25Å; M341-T448 WeakPolarHBondContact O-CG2 1.81Å; M341-T448 PolarHBondContact O-OG1 3.09Å; M341-L449 HydrophobicContact CE-CD2 4.34Å; M341-L449 HydrophobicContact CE-CG 4.23Å | |
| 342 | G | 87.4 | Confident | 91.3 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 43% | 0.433 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 0 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | M338 D339 I340 | M338-G342 PolarHBondContact O-N 2.64Å; D339-G342 PolarHBondContact O-N 3.36Å; D339-G342 VanDerWaalsContact O-N 3.11Å; I340-G342 PolarHBondContact O-N 3.48Å |
| 343 | I | 90.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | 0 | 109.3 | 0 | -62 | 175.2 | 0 | 0 | 0 | 108.5 | M338 D347 Q348 I351 L441 R444 | M338-I343 HydrophobicContact CB-CB 4.08Å; M338-I343 HydrophobicContact CB-CD1 4.21Å; M338-I343 HydrophobicContact CG-CD1 4.03Å; M338-I343 WeakPolarHBondContact O-CB 3.22Å; M338-I343 PolarHBondContact O-N 2.57Å; I343-D347 HydrophobicContact CG2-CB 3.8Å; I343-Q348 HydrophobicContact CB-CG 4.47Å; I343-Q348 HydrophobicContact CG2-CG 3.66Å; I343-Q348 PolarHBondContact O-NE2 2.4Å; I343-I351 HydrophobicContact CG2-CD1 4.3Å; I343-L441 HydrophobicContact CD1-CD2 4.02Å; I343-R444 HydrophobicContact CG1-CG 4.21Å | |||
| 344 | N | 89.9 | Confident | 91.6 | Very high | 72 Ų | 72 | 39.8 Ų | 39.8 | 39% | 0.385 | 21% | 0.21 | S | C | . | . | trans | -67.8 | 163.8 | -173 | 59.9 | 15.6 | 0 | 0 | 0 | 111.4 | E346 D347 Q348 | N344-E346 PolarHBondContact O-N 3.29Å; N344-D347 PolarHBondContact O-N 2.8Å; N344-D347 VanDerWaalsContact OD1-CA 3.28Å; N344-D347 WeakPolarHBondContact OD1-CA 2.26Å; N344-D347 WeakPolarHBondContact OD1-CB 3.25Å; N344-D347 PolarHBondContact OD1-N 3.34Å; N344-D347 PolarHBondContact OD1-OD1 3.38Å; N344-D347 PolarHBondContact OD1-OD2 3.48Å; N344-Q348 VanDerWaalsContact O-CG 3.26Å; N344-Q348 WeakPolarHBondContact O-CG 3.48Å; N344-Q348 PolarHBondContact O-N 2.45Å | ||
| 345 | N | 90.8 | Very high | 91.7 | Very high | 108 Ų | 108 | 39.6 Ų | 39.6 | 58% | 0.578 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.8 | -30 | -175.9 | -79.2 | -31.1 | 0 | 0 | 0 | 111.6 | Q348 N349 | N345-Q348 PolarHBondContact O-N 3.27Å; N345-N349 WeakPolarHBondContact O-CB 3.04Å; N345-N349 VanDerWaalsContact O-CG 3.28Å; N345-N349 PolarHBondContact O-N 3.29Å; N345-N349 PolarHBondContact O-ND2 2.82Å |
| 346 | E | 90.4 | Very high | 91.8 | Very high | 148 Ų | 148 | 38.3 Ų | 38.3 | 69% | 0.692 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -66.7 | -41.6 | 177.7 | -72.5 | -180 | -177.4 | 0 | 0 | 111.2 | N344 Q348 N349 A350 | N344-E346 PolarHBondContact O-N 3.29Å; E346-Q348 VanDerWaalsContact C-N 3.3Å; E346-N349 PolarHBondContact O-N 2.42Å; E346-A350 PolarHBondContact O-N 3.26Å |
| 347 | D | 91.7 | Very high | 92 | Very high | 35 Ų | 35 | 33.2 Ų | 33.2 | 19% | 0.187 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.5 | -36.8 | 179.9 | -74.1 | -18.6 | 0 | 0 | 0 | 110.1 | I343 N344 N349 A350 I351 W440 | I343-D347 HydrophobicContact CG2-CB 3.8Å; N344-D347 PolarHBondContact O-N 2.8Å; N344-D347 VanDerWaalsContact OD1-CA 3.28Å; N344-D347 WeakPolarHBondContact OD1-CA 2.26Å; N344-D347 WeakPolarHBondContact OD1-CB 3.25Å; N344-D347 PolarHBondContact OD1-N 3.34Å; N344-D347 PolarHBondContact OD1-OD1 3.38Å; N344-D347 PolarHBondContact OD1-OD2 3.48Å; D347-N349 VanDerWaalsContact C-N 3.27Å; D347-N349 PolarHBondContact O-N 3.5Å; D347-A350 WeakPolarHBondContact O-CB 2.86Å; D347-A350 PolarHBondContact O-N 1.7Å; D347-A350 VanDerWaalsContact O-N 3.13Å; D347-I351 WeakPolarHBondContact O-CG1 1.96Å; D347-I351 PolarHBondContact O-N 2.54Å; D347-W440 HydrophobicContact CB-CH2 4.27Å |
| 348 | Q | 92.8 | Very high | 92.1 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 178 | -69.9 | -176.9 | 29.7 | 0 | 0 | 110.9 | M338 D339 I343 N344 N345 E346 A350 I351 F352 | M338-Q348 HydrophobicContact CB-CG 4.3Å; M338-Q348 HydrophobicContact SD-CG 3.98Å; D339-Q348 PolarHBondContact OD1-NE2 2.16Å; I343-Q348 HydrophobicContact CB-CG 4.47Å; I343-Q348 HydrophobicContact CG2-CG 3.66Å; I343-Q348 PolarHBondContact O-NE2 2.4Å; N344-Q348 VanDerWaalsContact O-CG 3.26Å; N344-Q348 WeakPolarHBondContact O-CG 3.48Å; N344-Q348 PolarHBondContact O-N 2.45Å; N345-Q348 PolarHBondContact O-N 3.27Å; E346-Q348 VanDerWaalsContact C-N 3.3Å; Q348-A350 PolarHBondContact O-N 1.86Å; Q348-I351 WeakPolarHBondContact O-CB 2.84Å; Q348-I351 PolarHBondContact O-N 3.33Å; Q348-I351 VanDerWaalsContact O-N 3.14Å; Q348-F352 HydrophobicContact CB-CE2 4.13Å; Q348-F352 WeakPolarHBondContact O-CD2 0.75Å; Q348-F352 WeakPolarHBondContact O-CG 1.65Å; Q348-F352 PolarHBondContact O-N 2.65Å |
| 349 | N | 92 | Very high | 92.2 | Very high | 63 Ų | 63 | 33.3 Ų | 33.3 | 34% | 0.337 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.5 | -36.1 | 178.7 | -75.4 | -24.5 | 0 | 0 | 0 | 111.8 | N345 E346 D347 I351 F352 R353 | N345-N349 WeakPolarHBondContact O-CB 3.04Å; N345-N349 VanDerWaalsContact O-CG 3.28Å; N345-N349 PolarHBondContact O-N 3.29Å; N345-N349 PolarHBondContact O-ND2 2.82Å; E346-N349 PolarHBondContact O-N 2.42Å; D347-N349 VanDerWaalsContact C-N 3.27Å; D347-N349 PolarHBondContact O-N 3.5Å; N349-I351 VanDerWaalsContact C-N 3.27Å; N349-I351 PolarHBondContact O-N 2.45Å; N349-F352 PolarHBondContact O-N 3.33Å; N349-R353 WeakPolarHBondContact O-CG 2.36Å; N349-R353 PolarHBondContact O-N 3.16Å |
| 350 | A | 92.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.7 | -36.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E346 D347 Q348 F352 R353 V354 F615 | E346-A350 PolarHBondContact O-N 3.26Å; D347-A350 WeakPolarHBondContact O-CB 2.86Å; D347-A350 PolarHBondContact O-N 1.7Å; D347-A350 VanDerWaalsContact O-N 3.13Å; Q348-A350 PolarHBondContact O-N 1.86Å; A350-F352 VanDerWaalsContact C-N 3.26Å; A350-F352 PolarHBondContact O-N 3.04Å; A350-R353 VanDerWaalsContact CA-NH2 3.32Å; A350-R353 VanDerWaalsContact CB-NH2 3.32Å; A350-R353 WeakPolarHBondContact O-CB 3.33Å; A350-R353 PolarHBondContact O-N 3.44Å; A350-V354 WeakPolarHBondContact O-CG2 3.28Å; A350-V354 PolarHBondContact O-N 2.26Å; A350-F615 HydrophobicContact CB-CB 3.89Å; A350-F615 HydrophobicContact CB-CD1 3.71Å; A350-F615 HydrophobicContact CB-CD2 4.13Å; A350-F615 HydrophobicContact CB-CE1 4.25Å; A350-F615 HydrophobicContact CB-CG 3.65Å |
| 351 | I | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.1 | -43.2 | 179.5 | -70.9 | 171.6 | 0 | 0 | 0 | 109.3 | F233 I343 D347 Q348 N349 R353 V354 I355 L437 W440 L441 F615 | F233-I351 HydrophobicContact CE1-CG2 3.79Å; F233-I351 HydrophobicContact CZ-CG2 3.57Å; I343-I351 HydrophobicContact CG2-CD1 4.3Å; D347-I351 WeakPolarHBondContact O-CG1 1.96Å; D347-I351 PolarHBondContact O-N 2.54Å; Q348-I351 WeakPolarHBondContact O-CB 2.84Å; Q348-I351 PolarHBondContact O-N 3.33Å; Q348-I351 VanDerWaalsContact O-N 3.14Å; N349-I351 VanDerWaalsContact C-N 3.27Å; N349-I351 PolarHBondContact O-N 2.45Å; I351-R353 PolarHBondContact O-N 3.26Å; I351-V354 PolarHBondContact O-N 3.49Å; I351-I355 HydrophobicContact CG2-CD1 3.94Å; I351-I355 HydrophobicContact CG2-CG1 4.47Å; I351-I355 VanDerWaalsContact O-CG1 3.26Å; I351-I355 WeakPolarHBondContact O-CG1 2.82Å; I351-I355 PolarHBondContact O-N 3.05Å; I351-L437 HydrophobicContact CB-CD1 4.43Å; I351-L437 HydrophobicContact CG1-CD1 3.99Å; I351-L437 HydrophobicContact CG2-CD1 4.1Å; I351-L437 HydrophobicContact CG2-CD2 4.12Å; I351-W440 HydrophobicContact CD1-CZ3 3.95Å; I351-W440 HydrophobicContact CG1-CZ3 4.36Å; I351-L441 HydrophobicContact CD1-CD2 3.66Å; I351-F615 HydrophobicContact CG1-CE1 4.39Å; I351-F615 HydrophobicContact CG1-CE2 4.49Å; I351-F615 HydrophobicContact CG1-CZ 3.82Å |
| 352 | F | 94.5 | Very high | 92.7 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.1 | -33 | -178.2 | -63.7 | -34.6 | 0 | 0 | 0 | 110.6 | I288 L292 M300 L304 F331 T335 Q348 N349 A350 V354 I355 S356 | I288-F352 HydrophobicContact CD1-CE1 4.48Å; L292-F352 HydrophobicContact CD1-CB 4.42Å; L292-F352 HydrophobicContact CD1-CD1 4.14Å; L292-F352 HydrophobicContact CD1-CG 4.19Å; M300-F352 HydrophobicContact CE-CB 4.02Å; M300-F352 HydrophobicContact CE-CD2 3.52Å; M300-F352 HydrophobicContact CE-CE2 4.08Å; M300-F352 HydrophobicContact CE-CG 3.79Å; L304-F352 HydrophobicContact CD1-CB 3.78Å; L304-F352 HydrophobicContact CD2-CB 4.26Å; F331-F352 HydrophobicContact CE2-CE1 4.02Å; F331-F352 AromaticContact CE2-CZ 3.95Å; F331-F352 HydrophobicContact CE2-CZ 3.95Å; F331-F352 HydrophobicContact CZ-CE1 4.28Å; F331-F352 HydrophobicContact CZ-CE2 4.16Å; F331-F352 AromaticContact CZ-CZ 3.8Å; F331-F352 HydrophobicContact CZ-CZ 3.8Å; T335-F352 HydrophobicContact CG2-CZ 4.23Å; Q348-F352 HydrophobicContact CB-CE2 4.13Å; Q348-F352 WeakPolarHBondContact O-CD2 0.75Å; Q348-F352 WeakPolarHBondContact O-CG 1.65Å; Q348-F352 PolarHBondContact O-N 2.65Å; N349-F352 PolarHBondContact O-N 3.33Å; A350-F352 VanDerWaalsContact C-N 3.26Å; A350-F352 PolarHBondContact O-N 3.04Å; F352-V354 VanDerWaalsContact C-N 3.32Å; F352-V354 PolarHBondContact O-N 1.45Å; F352-I355 HydrophobicContact CD1-CD1 4.39Å; F352-I355 PolarHBondContact O-N 1.2Å; F352-S356 WeakPolarHBondContact O-CB 1.97Å; F352-S356 PolarHBondContact O-N 1.37Å |
| 353 | R | 94.2 | Very high | 93 | Very high | 62 Ų | 62 | 26.2 Ų | 26.2 | 23% | 0.234 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 176.7 | -77.8 | -163.7 | -55.2 | -98.9 | 0.8 | 111.1 | L304 N349 A350 I351 I355 S356 A357 D613 | L304-R353 HydrophobicContact CD2-CB 4.25Å; L304-R353 HydrophobicContact CD2-CG 3.44Å; L304-R353 VanDerWaalsContact CD2-CG 3.44Å; N349-R353 WeakPolarHBondContact O-CG 2.36Å; N349-R353 PolarHBondContact O-N 3.16Å; A350-R353 VanDerWaalsContact CA-NH2 3.32Å; A350-R353 VanDerWaalsContact CB-NH2 3.32Å; A350-R353 WeakPolarHBondContact O-CB 3.33Å; A350-R353 PolarHBondContact O-N 3.44Å; I351-R353 PolarHBondContact O-N 3.26Å; R353-I355 VanDerWaalsContact C-N 3.28Å; R353-I355 PolarHBondContact O-N 2.64Å; R353-S356 WeakPolarHBondContact O-CB 1.82Å; R353-S356 PolarHBondContact O-N 3.48Å; R353-A357 PolarHBondContact O-N 2.22Å; R353-D613 IonicContact NH2-OD2 2.7Å |
| 354 | V | 94.4 | Very high | 93 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.6 | -38.7 | -178.8 | 169.2 | 0 | 0 | 0 | 0 | 109.1 | A350 I351 F352 S356 A357 V358 I433 L437 F615 V616 M619 | A350-V354 WeakPolarHBondContact O-CG2 3.28Å; A350-V354 PolarHBondContact O-N 2.26Å; I351-V354 PolarHBondContact O-N 3.49Å; F352-V354 VanDerWaalsContact C-N 3.32Å; F352-V354 PolarHBondContact O-N 1.45Å; V354-S356 PolarHBondContact O-N 2.47Å; V354-A357 WeakPolarHBondContact O-CB 3.35Å; V354-A357 PolarHBondContact O-N 2.26Å; V354-A357 VanDerWaalsContact O-N 3.13Å; V354-V358 WeakPolarHBondContact O-CG2 3.14Å; V354-V358 PolarHBondContact O-N 3.14Å; V354-I433 HydrophobicContact CG1-CG2 3.22Å; V354-L437 HydrophobicContact CG1-CD2 4.4Å; V354-F615 HydrophobicContact CG2-CD1 3.91Å; V354-F615 HydrophobicContact CG2-CE1 3.84Å; V354-V616 HydrophobicContact CG2-CG2 4.36Å; V354-M619 HydrophobicContact CG2-SD 4.4Å |
| 355 | I | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | 179.1 | -70.4 | 175.5 | 0 | 0 | 0 | 109.4 | F233 I288 F289 L292 I351 F352 R353 A357 V358 L359 L437 | F233-I355 HydrophobicContact CE1-CD1 3.52Å; F233-I355 HydrophobicContact CE1-CG1 4.39Å; F233-I355 HydrophobicContact CZ-CD1 3.96Å; I288-I355 HydrophobicContact CD1-CD1 4.47Å; I288-I355 HydrophobicContact CG1-CD1 3.45Å; I288-I355 VanDerWaalsContact CG1-CD1 3.45Å; I288-I355 HydrophobicContact CG2-CD1 4.33Å; F289-I355 HydrophobicContact CD1-CG2 3.56Å; F289-I355 HydrophobicContact CE1-CG2 3.54Å; L292-I355 HydrophobicContact CD2-CB 4.42Å; L292-I355 HydrophobicContact CD2-CG2 4.01Å; I351-I355 HydrophobicContact CG2-CD1 3.94Å; I351-I355 HydrophobicContact CG2-CG1 4.47Å; I351-I355 VanDerWaalsContact O-CG1 3.26Å; I351-I355 WeakPolarHBondContact O-CG1 2.82Å; I351-I355 PolarHBondContact O-N 3.05Å; F352-I355 HydrophobicContact CD1-CD1 4.39Å; F352-I355 PolarHBondContact O-N 1.2Å; R353-I355 VanDerWaalsContact C-N 3.28Å; R353-I355 PolarHBondContact O-N 2.64Å; I355-A357 PolarHBondContact O-N 3.02Å; I355-V358 WeakPolarHBondContact O-CB 1.41Å; I355-V358 PolarHBondContact O-N 2.48Å; I355-L359 PolarHBondContact O-N 2.49Å; I355-L359 VanDerWaalsContact O-N 3.17Å; I355-L437 HydrophobicContact CD1-CD2 4.41Å; I355-L437 HydrophobicContact CG1-CD2 3.83Å |
| 356 | S | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63 | -38 | 177.2 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | L304 L306 F352 R353 V354 V358 L359 H360 | L304-S356 WeakPolarHBondContact O-CB 2.08Å; L304-S356 PolarHBondContact O-OG 3.4Å; L306-S356 WeakPolarHBondContact CD2-OG 1.34Å; F352-S356 WeakPolarHBondContact O-CB 1.97Å; F352-S356 PolarHBondContact O-N 1.37Å; R353-S356 WeakPolarHBondContact O-CB 1.82Å; R353-S356 PolarHBondContact O-N 3.48Å; V354-S356 PolarHBondContact O-N 2.47Å; S356-V358 PolarHBondContact O-N 1.85Å; S356-L359 WeakPolarHBondContact O-CB 3.07Å; S356-L359 PolarHBondContact O-N 2.7Å; S356-H360 PolarHBondContact O-CD2 3.23Å; S356-H360 VanDerWaalsContact O-CD2 3.25Å; S356-H360 PolarHBondContact O-N 2.47Å; S356-H360 VanDerWaalsContact O-N 3.09Å |
| 357 | A | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.1 | -36.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R353 V354 I355 L359 H360 L361 L389 L390 | R353-A357 PolarHBondContact O-N 2.22Å; V354-A357 WeakPolarHBondContact O-CB 3.35Å; V354-A357 PolarHBondContact O-N 2.26Å; V354-A357 VanDerWaalsContact O-N 3.13Å; I355-A357 PolarHBondContact O-N 3.02Å; A357-L359 VanDerWaalsContact C-N 3.28Å; A357-L359 PolarHBondContact O-N 3.07Å; A357-H360 PolarHBondContact O-N 2.51Å; A357-L361 VanDerWaalsContact O-CG 3.3Å; A357-L361 WeakPolarHBondContact O-CG 3.04Å; A357-L361 PolarHBondContact O-N 2.22Å; A357-L389 HydrophobicContact CB-CB 4.03Å; A357-L389 HydrophobicContact CB-CD1 4.26Å; A357-L390 HydrophobicContact CB-CD1 4.35Å; A357-L390 HydrophobicContact CB-CD2 3.66Å; A357-L390 HydrophobicContact CB-CG 3.76Å |
| 358 | V | 94.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.3 | -37.4 | -179.6 | 170.7 | 0 | 0 | 0 | 0 | 109.3 | V276 F289 F314 V354 I355 S356 H360 L361 I433 | V276-V358 HydrophobicContact CG1-CG1 3.58Å; F289-V358 HydrophobicContact CE1-CG1 4.41Å; F289-V358 HydrophobicContact CZ-CG1 4.35Å; F314-V358 HydrophobicContact CD2-CG1 4.45Å; F314-V358 WeakPolarHBondContact CD2-O 2.56Å; F314-V358 VanDerWaalsContact CE2-O 3.3Å; F314-V358 WeakPolarHBondContact CE2-O 3.46Å; V354-V358 WeakPolarHBondContact O-CG2 3.14Å; V354-V358 PolarHBondContact O-N 3.14Å; I355-V358 WeakPolarHBondContact O-CB 1.41Å; I355-V358 PolarHBondContact O-N 2.48Å; S356-V358 PolarHBondContact O-N 1.85Å; V358-H360 VanDerWaalsContact C-N 3.32Å; V358-H360 PolarHBondContact O-N 2.35Å; V358-L361 PolarHBondContact O-N 2.54Å; V358-I433 HydrophobicContact CG2-CB 4.19Å; V358-I433 HydrophobicContact CG2-CG2 3.74Å |
| 359 | L | 94.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66 | 0 | 178.9 | -73.3 | 172.5 | 0 | 0 | 0 | 111 | F289 L293 L306 Y312 L315 I355 S356 A357 L361 G362 | F289-L359 HydrophobicContact CD1-CD1 4.2Å; F289-L359 HydrophobicContact CD1-CD2 3.68Å; F289-L359 HydrophobicContact CD1-CG 3.88Å; F289-L359 HydrophobicContact CE1-CD2 4.08Å; F289-L359 HydrophobicContact CE1-CG 4.13Å; F289-L359 HydrophobicContact CG-CD2 4.41Å; L293-L359 HydrophobicContact CD2-CD1 4.35Å; L306-L359 HydrophobicContact CD2-CD1 4.43Å; Y312-L359 HydrophobicContact CD1-CB 3.49Å; Y312-L359 VanDerWaalsContact CD1-CB 3.49Å; Y312-L359 HydrophobicContact CD1-CD2 4.43Å; Y312-L359 HydrophobicContact CD1-CG 4.41Å; Y312-L359 WeakPolarHBondContact CD1-O 3.33Å; Y312-L359 HydrophobicContact CD2-CD1 4.5Å; Y312-L359 HydrophobicContact CD2-CD2 4.47Å; Y312-L359 HydrophobicContact CE1-CB 3.53Å; Y312-L359 HydrophobicContact CE1-CD1 4.41Å; Y312-L359 HydrophobicContact CE2-CD1 4.23Å; Y312-L359 HydrophobicContact CG-CB 4.09Å; Y312-L359 HydrophobicContact CG-CD2 4.17Å; L315-L359 HydrophobicContact CD1-CD2 4Å; L315-L359 HydrophobicContact CD2-CD2 4.27Å; L315-L359 HydrophobicContact CG-CD2 3.99Å; I355-L359 PolarHBondContact O-N 2.49Å; I355-L359 VanDerWaalsContact O-N 3.17Å; S356-L359 WeakPolarHBondContact O-CB 3.07Å; S356-L359 PolarHBondContact O-N 2.7Å; A357-L359 VanDerWaalsContact C-N 3.28Å; A357-L359 PolarHBondContact O-N 3.07Å; L359-L361 VanDerWaalsContact C-N 3.31Å; L359-L361 PolarHBondContact O-N 2.2Å; L359-G362 PolarHBondContact O-N 2.29Å |
| 360 | H | 94.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | 0 | -25.3 | 0 | -79.4 | -64.9 | 0 | 0 | 0 | 111 | L305 S356 A357 V358 G362 N363 V382 V386 | L305-H360 PolarHBondContact O-CE1 3.12Å; L305-H360 PolarHBondContact O-NE2 3.44Å; S356-H360 PolarHBondContact O-CD2 3.23Å; S356-H360 VanDerWaalsContact O-CD2 3.25Å; S356-H360 PolarHBondContact O-N 2.47Å; S356-H360 VanDerWaalsContact O-N 3.09Å; A357-H360 PolarHBondContact O-N 2.51Å; V358-H360 VanDerWaalsContact C-N 3.32Å; V358-H360 PolarHBondContact O-N 2.35Å; H360-G362 PolarHBondContact O-N 2.52Å; H360-G362 VanDerWaalsContact O-N 3.16Å; H360-N363 PolarHBondContact O-N 3.34Å; H360-V382 HydrophobicContact CB-CG1 4.43Å; H360-V382 VanDerWaalsContact O-CG1 3.23Å; H360-V382 WeakPolarHBondContact O-CG1 2.95Å; H360-V386 HydrophobicContact CB-CG2 3.52Å | |
| 361 | L | 93.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -29.6 | 177 | -83.3 | 169.7 | 0 | 0 | 0 | 110.6 | F314 A357 V358 L359 N363 L364 V386 M397 V426 S430 I433 | F314-L361 HydrophobicContact CE2-CB 4.22Å; A357-L361 VanDerWaalsContact O-CG 3.3Å; A357-L361 WeakPolarHBondContact O-CG 3.04Å; A357-L361 PolarHBondContact O-N 2.22Å; V358-L361 PolarHBondContact O-N 2.54Å; L359-L361 VanDerWaalsContact C-N 3.31Å; L359-L361 PolarHBondContact O-N 2.2Å; L361-N363 PolarHBondContact O-N 3.02Å; L361-L364 HydrophobicContact CD2-CD1 3.95Å; L361-L364 PolarHBondContact O-N 2.64Å; L361-V386 HydrophobicContact CD2-CG1 3.72Å; L361-V386 HydrophobicContact CD2-CG2 4.26Å; L361-V386 HydrophobicContact CG-CG1 4.01Å; L361-V386 HydrophobicContact CG-CG2 4.29Å; L361-M397 HydrophobicContact CD2-CE 3.94Å; L361-V426 HydrophobicContact CB-CG1 4.13Å; L361-V426 HydrophobicContact CD2-CG1 4.27Å; L361-V426 VanDerWaalsContact O-CG1 3.28Å; L361-V426 WeakPolarHBondContact O-CG1 2.81Å; L361-S430 VanDerWaalsContact CB-OG 3.28Å; L361-S430 WeakPolarHBondContact CB-OG 2.73Å; L361-S430 VanDerWaalsContact CD1-OG 3.25Å; L361-S430 WeakPolarHBondContact CD1-OG 2.81Å; L361-I433 HydrophobicContact CD1-CD1 3.95Å |
| 362 | G | 90.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -17.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R313 F314 L359 H360 L364 | R313-G362 VanDerWaalsContact CB-O 3.24Å; R313-G362 WeakPolarHBondContact CB-O 3.06Å; R313-G362 WeakPolarHBondContact CD-O 2.25Å; F314-G362 VanDerWaalsContact CE1-CA 3.4Å; F314-G362 VanDerWaalsContact CE2-N 3.26Å; L359-G362 PolarHBondContact O-N 2.29Å; H360-G362 PolarHBondContact O-N 2.52Å; H360-G362 VanDerWaalsContact O-N 3.16Å; G362-L364 VanDerWaalsContact C-N 3.32Å |
| 363 | N | 93 | Very high | 90.4 | Very high | 31 Ų | 31 | 53.9 Ų | 53.9 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -0.3 | -176.1 | -74.1 | -8.7 | 0 | 0 | 0 | 111.6 | A311 Y312 R313 H360 L361 E365 V382 | A311-N363 PolarHBondContact O-ND2 2.37Å; A311-N363 PolarHBondContact O-OD1 3.26Å; Y312-N363 WeakPolarHBondContact CA-OD1 3.5Å; R313-N363 PolarHBondContact N-OD1 3.23Å; H360-N363 PolarHBondContact O-N 3.34Å; L361-N363 PolarHBondContact O-N 3.02Å; N363-E365 PolarHBondContact O-N 3.47Å; N363-V382 HydrophobicContact CB-CG1 3.84Å; N363-V382 HydrophobicContact CB-CG2 4.46Å |
| 364 | L | 91.8 | Very high | 90.1 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | trans | -68.1 | 0 | 175.5 | -72.2 | 172.7 | 0 | 0 | 0 | 110.7 | L361 G362 F366 L377 V382 A383 M397 V426 | L361-L364 HydrophobicContact CD2-CD1 3.95Å; L361-L364 PolarHBondContact O-N 2.64Å; G362-L364 VanDerWaalsContact C-N 3.32Å; L364-F366 HydrophobicContact CB-CE2 3.94Å; L364-F366 HydrophobicContact CB-CZ 3.87Å; L364-F366 HydrophobicContact CD1-CZ 4.3Å; L364-L377 HydrophobicContact CD2-CD1 4.19Å; L364-L377 HydrophobicContact CD2-CD2 4.49Å; L364-V382 HydrophobicContact CD2-CB 4.06Å; L364-V382 HydrophobicContact CD2-CG1 3.96Å; L364-V382 HydrophobicContact CG-CG1 4.29Å; L364-A383 HydrophobicContact CD2-CB 3.86Å; L364-M397 HydrophobicContact CD1-CE 4.13Å; L364-V426 HydrophobicContact CD1-CG1 4.28Å; L364-V426 HydrophobicContact CD1-CG2 4.2Å | ||
| 365 | E | 90.4 | Very high | 89.9 | Confident | 145 Ų | 145 | 54.8 Ų | 54.8 | 68% | 0.678 | 26% | 0.261 | S | S | * | . | 0 | 123.9 | 0 | -71.3 | -178 | 177.8 | 0 | 0 | 110.2 | N363 L377 P378 | N363-E365 PolarHBondContact O-N 3.47Å; E365-L377 WeakPolarHBondContact O-CD1 3.33Å; E365-P378 WeakPolarHBondContact O-CD 2.99Å | |||
| 366 | F | 91.1 | Very high | 89.7 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | trans | -109.6 | 137.8 | -177.2 | -60 | -78.1 | 0 | 0 | 0 | 109.1 | L364 A375 T376 L377 L402 K419 V422 E423 V426 | L364-F366 HydrophobicContact CB-CE2 3.94Å; L364-F366 HydrophobicContact CB-CZ 3.87Å; L364-F366 HydrophobicContact CD1-CZ 4.3Å; F366-A375 HydrophobicContact CB-CB 4.41Å; F366-T376 WeakPolarHBondContact CA-O 0.76Å; F366-L377 HydrophobicContact CD1-CB 4.48Å; F366-L377 HydrophobicContact CD1-CD1 3.87Å; F366-L377 HydrophobicContact CE1-CD1 3.73Å; F366-L377 HydrophobicContact CZ-CD1 4.49Å; F366-L402 HydrophobicContact CD1-CD2 4.11Å; F366-L402 HydrophobicContact CE1-CD2 4.24Å; F366-K419 HydrophobicContact CB-CG 4.03Å; F366-K419 VanDerWaalsContact O-CE 3.24Å; F366-K419 WeakPolarHBondContact O-CE 3.09Å; F366-V422 HydrophobicContact CD1-CG1 3.67Å; F366-V422 HydrophobicContact CD2-CB 4.45Å; F366-V422 HydrophobicContact CD2-CG1 3.85Å; F366-V422 HydrophobicContact CE1-CG1 3.28Å; F366-V422 HydrophobicContact CE2-CB 4.47Å; F366-V422 HydrophobicContact CE2-CG1 3.48Å; F366-V422 VanDerWaalsContact CE2-CG1 3.48Å; F366-V422 HydrophobicContact CG-CB 4.47Å; F366-V422 HydrophobicContact CG-CG1 3.93Å; F366-V422 HydrophobicContact CZ-CG1 3.18Å; F366-E423 HydrophobicContact CD2-CG 3.73Å; F366-E423 HydrophobicContact CE2-CG 4.35Å; F366-V426 HydrophobicContact CE2-CG2 3.76Å; F366-V426 HydrophobicContact CZ-CG2 3.69Å | ||
| 367 | R | 89.3 | Confident | 89.5 | Confident | 181 Ų | 181 | 57.8 Ų | 57.8 | 68% | 0.683 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 136.4 | 177.6 | -165.9 | 177.7 | -153 | 167.4 | -1.8 | 110.5 | E369 T376 P378 | R367-E369 PolarHBondContact O-N 2.51Å; R367-T376 PolarHBondContact N-O 2.33Å; R367-T376 PolarHBondContact O-N 3.44Å; R367-T376 PolarHBondContact O-OG1 3.28Å; R367-P378 HydrophobicContact CB-CG 3.89Å |
| 368 | Q | 88.9 | Confident | 89.1 | Confident | 98 Ų | 98 | 62 Ų | 62 | 46% | 0.458 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 119.1 | 177.3 | -176 | 167 | 33.5 | 0 | 0 | 110.1 | R370 K419 | Q368-R370 PolarHBondContact O-N 2.24Å; Q368-K419 HydrophobicContact CB-CB 4.4Å |
| 369 | E | 85.5 | Confident | 88.7 | Confident | 85 Ų | 85 | 66.2 Ų | 66.2 | 40% | 0.397 | 33% | 0.328 | S | S | . | . | trans | -69.9 | 125.8 | 175.1 | -161.1 | 169 | -170.6 | 0 | 0 | 111.3 | R367 S371 S372 D373 Q374 T376 | R367-E369 PolarHBondContact O-N 2.51Å; E369-S371 PolarHBondContact O-N 3.42Å; E369-S372 PolarHBondContact OE2-OG 3.22Å; E369-D373 WeakPolarHBondContact O-CA 3.26Å; E369-D373 PolarHBondContact O-N 3.29Å; E369-Q374 PolarHBondContact N-O 1.83Å; E369-T376 HydrophobicContact CB-CG2 4.34Å | ||
| 370 | R | 82.3 | Confident | 88.5 | Confident | 250 Ų | 250 | 70 Ų | 70 | 94% | 0.943 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22.7 | -172.9 | -72 | -173.8 | -178.4 | -170.8 | -0 | 110.9 | Q368 | Q368-R370 PolarHBondContact O-N 2.24Š|
| 371 | S | 81.2 | Confident | 88.3 | Confident | 103 Ų | 103 | 72.1 Ų | 72.1 | 72% | 0.72 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -31.1 | -174.6 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | E369 | E369-S371 PolarHBondContact O-N 3.42Š|
| 372 | S | 81.8 | Confident | 88.3 | Confident | 45 Ų | 45 | 73 Ų | 73 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | 0 | -169.7 | 65.1 | 0 | 0 | 0 | 0 | 110.1 | E369 Q374 | E369-S372 PolarHBondContact OE2-OG 3.22Å; S372-Q374 PolarHBondContact O-N 2.22Å; S372-Q374 VanDerWaalsContact OG-CB 3.31Å; S372-Q374 WeakPolarHBondContact OG-CB 2.25Å; S372-Q374 VanDerWaalsContact OG-CG 3.29Å; S372-Q374 WeakPolarHBondContact OG-CG 2.19Å; S372-Q374 PolarHBondContact OG-N 3.36Å |
| 373 | D | 83.6 | Confident | 88.3 | Confident | 97 Ų | 97 | 72.9 Ų | 72.9 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | 0 | 0 | 0 | -76.9 | -20.8 | 0 | 0 | 0 | 111.3 | E369 | E369-D373 WeakPolarHBondContact O-CA 3.26Å; E369-D373 PolarHBondContact O-N 3.29Å | |||
| 374 | Q | 87.7 | Confident | 88.3 | Confident | 73 Ų | 73 | 76.6 Ų | 76.6 | 34% | 0.341 | 38% | 0.381 | S | S | . | . | 0 | 153.8 | 0 | -62.3 | 177.8 | -9.2 | 0 | 0 | 109.5 | E369 S372 A416 | E369-Q374 PolarHBondContact N-O 1.83Å; S372-Q374 PolarHBondContact O-N 2.22Å; S372-Q374 VanDerWaalsContact OG-CB 3.31Å; S372-Q374 WeakPolarHBondContact OG-CB 2.25Å; S372-Q374 VanDerWaalsContact OG-CG 3.29Å; S372-Q374 WeakPolarHBondContact OG-CG 2.19Å; S372-Q374 PolarHBondContact OG-N 3.36Å; Q374-A416 HydrophobicContact CB-CB 4.33Å; Q374-A416 HydrophobicContact CG-CB 3.72Å | |||
| 375 | A | 90.3 | Very high | 88.4 | Confident | 8 Ų | 8 | 79.5 Ų | 79.5 | 7% | 0.066 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 133.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110 | F366 L402 Q417 K419 V422 | F366-A375 HydrophobicContact CB-CB 4.41Å; A375-L402 HydrophobicContact CB-CD2 3.93Å; A375-L402 WeakPolarHBondContact O-CD2 0.95Å; A375-Q417 PolarHBondContact N-O 3.42Å; A375-K419 VanDerWaalsContact CB-CA 3.5Å; A375-K419 HydrophobicContact CB-CB 4.32Å; A375-V422 HydrophobicContact CB-CB 4.22Å; A375-V422 HydrophobicContact CB-CG2 3.63Å |
| 376 | T | 90.1 | Very high | 88.5 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 30% | 0.301 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 145.4 | 173.6 | 55.8 | 0 | 0 | 0 | 0 | 108.8 | F366 R367 E369 P378 | F366-T376 WeakPolarHBondContact CA-O 0.76Å; R367-T376 PolarHBondContact N-O 2.33Å; R367-T376 PolarHBondContact O-N 3.44Å; R367-T376 PolarHBondContact O-OG1 3.28Å; E369-T376 HydrophobicContact CB-CG2 4.34Å; T376-P378 VanDerWaalsContact C-CD 3.48Å; T376-P378 WeakPolarHBondContact O-CD 2.92Å |
| 377 | L | 90.1 | Very high | 88.6 | Confident | 15 Ų | 15 | 72.5 Ų | 72.5 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | trans | -98 | 99.4 | 176.9 | -173.5 | 65.1 | 0 | 0 | 0 | 109.4 | L364 E365 F366 D379 H380 A383 V398 L402 | L364-L377 HydrophobicContact CD2-CD1 4.19Å; L364-L377 HydrophobicContact CD2-CD2 4.49Å; E365-L377 WeakPolarHBondContact O-CD1 3.33Å; F366-L377 HydrophobicContact CD1-CB 4.48Å; F366-L377 HydrophobicContact CD1-CD1 3.87Å; F366-L377 HydrophobicContact CE1-CD1 3.73Å; F366-L377 HydrophobicContact CZ-CD1 4.49Å; L377-D379 VanDerWaalsContact C-N 3.31Å; L377-D379 PolarHBondContact O-N 2.15Å; L377-H380 PolarHBondContact O-CD2 3.37Å; L377-H380 VanDerWaalsContact O-CD2 3.3Å; L377-H380 PolarHBondContact O-NE2 3.48Å; L377-A383 HydrophobicContact CD2-CB 3.86Å; L377-V398 HydrophobicContact CD2-CG2 4.1Å; L377-L402 HydrophobicContact CB-CD1 4.26Å | ||
| 378 | P | 86.7 | Confident | 88.8 | Confident | 87 Ų | 87 | 70.4 Ų | 70.4 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -65.9 | -35 | -175.6 | -18.1 | 22.8 | 0 | 0 | 0 | 111.7 | E365 R367 T376 | E365-P378 WeakPolarHBondContact O-CD 2.99Å; R367-P378 HydrophobicContact CB-CG 3.89Å; T376-P378 VanDerWaalsContact C-CD 3.48Å; T376-P378 WeakPolarHBondContact O-CD 2.92Å |
| 379 | D | 86.8 | Confident | 89 | Confident | 90 Ų | 90 | 66 Ų | 66 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | trans | -120 | 120.9 | -176.8 | -176.2 | 9.7 | 0 | 0 | 0 | 110 | L377 S381 | L377-D379 VanDerWaalsContact C-N 3.31Å; L377-D379 PolarHBondContact O-N 2.15Å; D379-S381 VanDerWaalsContact OD1-CB 3.29Å; D379-S381 WeakPolarHBondContact OD1-CB 2.67Å; D379-S381 PolarHBondContact OD1-N 2.66Å; D379-S381 PolarHBondContact OD1-OG 3.33Å; D379-S381 PolarHBondContact OD2-OG 3.35Å | ||
| 380 | H | 89.3 | Confident | 89.4 | Confident | 82 Ų | 82 | 62.2 Ų | 62.2 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | trans | -93.4 | -4.1 | -176.4 | -70.6 | -164.9 | 0 | 0 | 0 | 110.4 | L377 V382 A383 E384 | L377-H380 PolarHBondContact O-CD2 3.37Å; L377-H380 VanDerWaalsContact O-CD2 3.3Å; L377-H380 PolarHBondContact O-NE2 3.48Å; H380-V382 VanDerWaalsContact C-N 3.27Å; H380-V382 PolarHBondContact O-N 3.35Å; H380-A383 PolarHBondContact O-N 2.28Å; H380-A383 VanDerWaalsContact O-N 3.17Å; H380-E384 VanDerWaalsContact O-CG 3.27Å; H380-E384 WeakPolarHBondContact O-CG 2.55Å; H380-E384 PolarHBondContact O-N 3.32Å | ||
| 381 | S | 91.1 | Very high | 89.9 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | -172.8 | 63.1 | 0 | 0 | 0 | 0 | 110.8 | D379 A383 E384 K385 | D379-S381 VanDerWaalsContact OD1-CB 3.29Å; D379-S381 WeakPolarHBondContact OD1-CB 2.67Å; D379-S381 PolarHBondContact OD1-N 2.66Å; D379-S381 PolarHBondContact OD1-OG 3.33Å; D379-S381 PolarHBondContact OD2-OG 3.35Å; S381-A383 VanDerWaalsContact C-N 3.34Å; S381-E384 WeakPolarHBondContact O-CB 2.94Å; S381-E384 PolarHBondContact O-N 2.51Å; S381-K385 WeakPolarHBondContact O-CG 3.29Å; S381-K385 PolarHBondContact O-N 2.62Å |
| 382 | V | 91.6 | Very high | 90.5 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.3 | -37 | -177.5 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | H360 N363 L364 H380 E384 K385 V386 | H360-V382 HydrophobicContact CB-CG1 4.43Å; H360-V382 VanDerWaalsContact O-CG1 3.23Å; H360-V382 WeakPolarHBondContact O-CG1 2.95Å; N363-V382 HydrophobicContact CB-CG1 3.84Å; N363-V382 HydrophobicContact CB-CG2 4.46Å; L364-V382 HydrophobicContact CD2-CB 4.06Å; L364-V382 HydrophobicContact CD2-CG1 3.96Å; L364-V382 HydrophobicContact CG-CG1 4.29Å; H380-V382 VanDerWaalsContact C-N 3.27Å; H380-V382 PolarHBondContact O-N 3.35Å; V382-E384 PolarHBondContact O-N 3.33Å; V382-K385 WeakPolarHBondContact O-CB 3.28Å; V382-K385 PolarHBondContact O-N 3.37Å; V382-K385 VanDerWaalsContact O-N 3.13Å; V382-V386 WeakPolarHBondContact O-CG2 3.28Å; V382-V386 PolarHBondContact O-N 3.24Å; V382-V386 VanDerWaalsContact O-N 3.07Å |
| 383 | A | 91.5 | Very high | 91 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.2 | -30.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | L364 L377 H380 S381 K385 V386 S387 L394 V398 | L364-A383 HydrophobicContact CD2-CB 3.86Å; L377-A383 HydrophobicContact CD2-CB 3.86Å; H380-A383 PolarHBondContact O-N 2.28Å; H380-A383 VanDerWaalsContact O-N 3.17Å; S381-A383 VanDerWaalsContact C-N 3.34Å; A383-K385 PolarHBondContact O-N 2.6Å; A383-V386 PolarHBondContact O-N 3.22Å; A383-S387 WeakPolarHBondContact O-CB 2.69Å; A383-S387 PolarHBondContact O-N 2.64Å; A383-L394 VanDerWaalsContact C-CD1 3.48Å; A383-L394 HydrophobicContact CB-CD1 3.56Å; A383-V398 HydrophobicContact CB-CG2 4.42Å |
| 384 | E | 93.2 | Very high | 91.4 | Very high | 109 Ų | 109 | 45 Ų | 45 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.5 | -37.1 | 178.1 | -78 | -179.8 | 179.9 | 0 | 0 | 110.5 | H380 S381 V382 V386 S387 H388 L394 | H380-E384 VanDerWaalsContact O-CG 3.27Å; H380-E384 WeakPolarHBondContact O-CG 2.55Å; H380-E384 PolarHBondContact O-N 3.32Å; S381-E384 WeakPolarHBondContact O-CB 2.94Å; S381-E384 PolarHBondContact O-N 2.51Å; V382-E384 PolarHBondContact O-N 3.33Å; E384-V386 VanDerWaalsContact C-N 3.3Å; E384-S387 PolarHBondContact O-N 3.36Å; E384-H388 WeakPolarHBondContact O-CB 2.95Å; E384-H388 PolarHBondContact O-N 2.64Å; E384-L394 HydrophobicContact CG-CD1 3.97Å; E384-L394 HydrophobicContact CG-CD2 3.28Å; E384-L394 HydrophobicContact CG-CG 4.22Å |
| 385 | K | 93.3 | Very high | 91.5 | Very high | 68 Ų | 68 | 47.7 Ų | 47.7 | 30% | 0.296 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 178.8 | -68.4 | 179.8 | -177.7 | 176.4 | 0 | 111.1 | L305 S381 V382 A383 S387 H388 L389 | L305-K385 HydrophobicContact CD1-CB 3.93Å; L305-K385 HydrophobicContact CD1-CD 4.47Å; L305-K385 HydrophobicContact CD1-CG 3.92Å; S381-K385 WeakPolarHBondContact O-CG 3.29Å; S381-K385 PolarHBondContact O-N 2.62Å; V382-K385 WeakPolarHBondContact O-CB 3.28Å; V382-K385 PolarHBondContact O-N 3.37Å; V382-K385 VanDerWaalsContact O-N 3.13Å; A383-K385 PolarHBondContact O-N 2.6Å; K385-S387 VanDerWaalsContact C-N 3.27Å; K385-S387 PolarHBondContact O-N 2.77Å; K385-H388 PolarHBondContact O-N 2.28Å; K385-L389 VanDerWaalsContact O-CG 3.25Å; K385-L389 WeakPolarHBondContact O-CG 3.21Å; K385-L389 PolarHBondContact O-N 3.33Å |
| 386 | V | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | -179.4 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | H360 L361 V382 A383 E384 H388 L389 L390 M397 | H360-V386 HydrophobicContact CB-CG2 3.52Å; L361-V386 HydrophobicContact CD2-CG1 3.72Å; L361-V386 HydrophobicContact CD2-CG2 4.26Å; L361-V386 HydrophobicContact CG-CG1 4.01Å; L361-V386 HydrophobicContact CG-CG2 4.29Å; V382-V386 WeakPolarHBondContact O-CG2 3.28Å; V382-V386 PolarHBondContact O-N 3.24Å; V382-V386 VanDerWaalsContact O-N 3.07Å; A383-V386 PolarHBondContact O-N 3.22Å; E384-V386 VanDerWaalsContact C-N 3.3Å; V386-H388 PolarHBondContact O-N 3.31Å; V386-L389 PolarHBondContact O-N 2.17Å; V386-L390 HydrophobicContact CG1-CD1 3.72Å; V386-L390 HydrophobicContact CG1-CG 4.33Å; V386-L390 PolarHBondContact O-N 3.16Å; V386-M397 HydrophobicContact CB-CE 4Å; V386-M397 HydrophobicContact CB-SD 4.43Å; V386-M397 HydrophobicContact CG1-CE 3.59Å; V386-M397 HydrophobicContact CG1-SD 4.09Å |
| 387 | S | 93.1 | Very high | 91.6 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.9 | -35.2 | -178.7 | 177.8 | 0 | 0 | 0 | 0 | 111 | A383 E384 K385 G391 I392 L394 | A383-S387 WeakPolarHBondContact O-CB 2.69Å; A383-S387 PolarHBondContact O-N 2.64Å; E384-S387 PolarHBondContact O-N 3.36Å; K385-S387 VanDerWaalsContact C-N 3.27Å; K385-S387 PolarHBondContact O-N 2.77Å; S387-G391 PolarHBondContact O-N 2.32Å; S387-I392 VanDerWaalsContact CB-O 3.23Å; S387-I392 WeakPolarHBondContact CB-O 2.65Å; S387-I392 PolarHBondContact O-N 3.42Å; S387-I392 PolarHBondContact OG-O 3.03Å; S387-L394 PolarHBondContact OG-N 2.09Å |
| 388 | H | 92.8 | Very high | 91.7 | Very high | 137 Ų | 137 | 50.4 Ų | 50.4 | 63% | 0.634 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -71 | -38.4 | 179.7 | 175.4 | 69.1 | 0 | 0 | 0 | 110.5 | E384 K385 V386 | E384-H388 WeakPolarHBondContact O-CB 2.95Å; E384-H388 PolarHBondContact O-N 2.64Å; K385-H388 PolarHBondContact O-N 2.28Å; V386-H388 PolarHBondContact O-N 3.31Å |
| 389 | L | 93.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.4 | -32.6 | -176.2 | -69.1 | 169.7 | 0 | 0 | 0 | 111 | L305 A357 K385 V386 | L305-L389 HydrophobicContact CD1-CG 4.43Å; A357-L389 HydrophobicContact CB-CB 4.03Å; A357-L389 HydrophobicContact CB-CD1 4.26Å; K385-L389 VanDerWaalsContact O-CG 3.25Å; K385-L389 WeakPolarHBondContact O-CG 3.21Å; K385-L389 PolarHBondContact O-N 3.33Å; V386-L389 PolarHBondContact O-N 2.17Å |
| 390 | L | 93.9 | Very high | 92 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -95.2 | -7.7 | -176 | -70.5 | 179.1 | 0 | 0 | 0 | 110.4 | A357 V386 I392 I433 L608 S611 V616 | A357-L390 HydrophobicContact CB-CD1 4.35Å; A357-L390 HydrophobicContact CB-CD2 3.66Å; A357-L390 HydrophobicContact CB-CG 3.76Å; V386-L390 HydrophobicContact CG1-CD1 3.72Å; V386-L390 HydrophobicContact CG1-CG 4.33Å; V386-L390 PolarHBondContact O-N 3.16Å; L390-I392 HydrophobicContact CB-CD1 4.29Å; L390-I392 HydrophobicContact CB-CG1 4.11Å; L390-I392 HydrophobicContact CD1-CD1 4.21Å; L390-I433 HydrophobicContact CD1-CD1 4.18Å; L390-L608 HydrophobicContact CD1-CD2 4.13Å; L390-S611 PolarHBondContact O-OG 3.37Å; L390-V616 HydrophobicContact CD2-CG2 4.34Å |
| 391 | G | 92.8 | Very high | 92.1 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 0 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | S387 S611 N612 | S387-G391 PolarHBondContact O-N 2.32Å; G391-S611 PolarHBondContact O-OG 2.32Å; G391-N612 PolarHBondContact O-N 2.96Å |
| 392 | I | 93.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.046 | 22% | 0.22 | C | C | . | . | 0 | 146.5 | 0 | 50.8 | 177.4 | 0 | 0 | 0 | 108.2 | S387 L390 M397 L608 | S387-I392 VanDerWaalsContact CB-O 3.23Å; S387-I392 WeakPolarHBondContact CB-O 2.65Å; S387-I392 PolarHBondContact O-N 3.42Å; S387-I392 PolarHBondContact OG-O 3.03Å; L390-I392 HydrophobicContact CB-CD1 4.29Å; L390-I392 HydrophobicContact CB-CG1 4.11Å; L390-I392 HydrophobicContact CD1-CD1 4.21Å; I392-M397 HydrophobicContact CD1-CB 4.04Å; I392-M397 HydrophobicContact CD1-CG 3.89Å; I392-M397 HydrophobicContact CD1-SD 3.61Å; I392-M397 HydrophobicContact CG1-SD 4.44Å; I392-L608 HydrophobicContact CG2-CD2 4.25Å | |||
| 393 | P | 93 | Very high | 92.1 | Very high | 71 Ų | 71 | 47 Ų | 47 | 46% | 0.461 | 24% | 0.237 | S | C | . | . | trans | -66.8 | 0 | 179.5 | -18.9 | 29.3 | 0 | 0 | 0 | 111.7 | E396 M397 | P393-E396 HydrophobicContact CB-CB 4.3Å; P393-E396 HydrophobicContact CB-CG 4.17Å; P393-E396 PolarHBondContact O-N 2.26Å; P393-M397 PolarHBondContact O-N 2.48Å; P393-M397 VanDerWaalsContact O-N 3.12Å | ||
| 394 | L | 91 | Very high | 91.8 | Very high | 36 Ų | 36 | 47.1 Ų | 47.1 | 19% | 0.188 | 24% | 0.238 | C | C | . | . | H | α-helix | 0 | 0 | 0 | 173.3 | 66.3 | 0 | 0 | 0 | 110.9 | A383 E384 S387 E396 M397 V398 | A383-L394 VanDerWaalsContact C-CD1 3.48Å; A383-L394 HydrophobicContact CB-CD1 3.56Å; E384-L394 HydrophobicContact CG-CD1 3.97Å; E384-L394 HydrophobicContact CG-CD2 3.28Å; E384-L394 HydrophobicContact CG-CG 4.22Å; S387-L394 PolarHBondContact OG-N 2.09Å; L394-E396 PolarHBondContact O-N 2.97Å; L394-M397 WeakPolarHBondContact O-CB 3.34Å; L394-M397 PolarHBondContact O-N 3.07Å; L394-M397 VanDerWaalsContact O-N 3.13Å; L394-V398 HydrophobicContact CD1-CG2 4.16Å; L394-V398 HydrophobicContact CG-CG2 4.49Å; L394-V398 WeakPolarHBondContact O-CG2 3.42Å; L394-V398 PolarHBondContact O-N 3.19Å | |
| 395 | N | 91 | Very high | 91.4 | Very high | 129 Ų | 129 | 48.2 Ų | 48.2 | 69% | 0.69 | 24% | 0.237 | S | C | * | . | H | α-helix | 0 | -31.3 | 0 | -73.1 | -25.7 | 0 | 0 | 0 | 111.4 | M397 K399 | N395-M397 VanDerWaalsContact C-N 3.3Å; N395-K399 VanDerWaalsContact O-CB 3.3Å; N395-K399 WeakPolarHBondContact O-CB 2.19Å; N395-K399 PolarHBondContact O-N 3.16Å | |
| 396 | E | 90.3 | Very high | 90.8 | Very high | 102 Ų | 102 | 48.1 Ų | 48.1 | 48% | 0.477 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -77.7 | -32.1 | -178.6 | -67.7 | -75.7 | 162.1 | 0 | 0 | 110.6 | P393 L394 A400 L607 | P393-E396 HydrophobicContact CB-CB 4.3Å; P393-E396 HydrophobicContact CB-CG 4.17Å; P393-E396 PolarHBondContact O-N 2.26Å; L394-E396 PolarHBondContact O-N 2.97Å; E396-A400 WeakPolarHBondContact O-CB 3.12Å; E396-A400 PolarHBondContact O-N 1.93Å; E396-L607 HydrophobicContact CB-CD1 4.07Å; E396-L607 HydrophobicContact CB-CD2 3.81Å; E396-L607 WeakPolarHBondContact O-CD1 3.46Å |
| 397 | M | 91.4 | Very high | 89.7 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 178.2 | 177.4 | -172.9 | 165.8 | 0 | 0 | 110.6 | L361 L364 V386 I392 P393 L394 N395 K399 A400 F401 | L361-M397 HydrophobicContact CD2-CE 3.94Å; L364-M397 HydrophobicContact CD1-CE 4.13Å; V386-M397 HydrophobicContact CB-CE 4Å; V386-M397 HydrophobicContact CB-SD 4.43Å; V386-M397 HydrophobicContact CG1-CE 3.59Å; V386-M397 HydrophobicContact CG1-SD 4.09Å; I392-M397 HydrophobicContact CD1-CB 4.04Å; I392-M397 HydrophobicContact CD1-CG 3.89Å; I392-M397 HydrophobicContact CD1-SD 3.61Å; I392-M397 HydrophobicContact CG1-SD 4.44Å; P393-M397 PolarHBondContact O-N 2.48Å; P393-M397 VanDerWaalsContact O-N 3.12Å; L394-M397 WeakPolarHBondContact O-CB 3.34Å; L394-M397 PolarHBondContact O-N 3.07Å; L394-M397 VanDerWaalsContact O-N 3.13Å; N395-M397 VanDerWaalsContact C-N 3.3Å; M397-K399 VanDerWaalsContact C-N 3.26Å; M397-K399 PolarHBondContact O-N 2.29Å; M397-A400 WeakPolarHBondContact O-CB 3.06Å; M397-A400 PolarHBondContact O-N 3.36Å; M397-A400 VanDerWaalsContact O-N 3.16Å; M397-F401 HydrophobicContact CE-CD2 4.15Å; M397-F401 HydrophobicContact CE-CE2 3.6Å; M397-F401 HydrophobicContact CG-CD2 3.89Å; M397-F401 HydrophobicContact CG-CE2 3.79Å; M397-F401 WeakPolarHBondContact O-CD2 3.37Å; M397-F401 PolarHBondContact O-N 3.48Å |
| 398 | V | 91.6 | Very high | 88.7 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.5 | -41.3 | -178.6 | 172.6 | 0 | 0 | 0 | 0 | 109.9 | L377 A383 L394 A400 F401 L402 | L377-V398 HydrophobicContact CD2-CG2 4.1Å; A383-V398 HydrophobicContact CB-CG2 4.42Å; L394-V398 HydrophobicContact CD1-CG2 4.16Å; L394-V398 HydrophobicContact CG-CG2 4.49Å; L394-V398 WeakPolarHBondContact O-CG2 3.42Å; L394-V398 PolarHBondContact O-N 3.19Å; V398-A400 PolarHBondContact O-N 3.19Å; V398-F401 PolarHBondContact O-N 2.6Å; V398-L402 HydrophobicContact CG1-CD1 3.47Å; V398-L402 VanDerWaalsContact CG1-CD1 3.47Å; V398-L402 HydrophobicContact CG1-CG 4.17Å; V398-L402 WeakPolarHBondContact O-CB 3.33Å; V398-L402 WeakPolarHBondContact O-CG 3.03Å; V398-L402 PolarHBondContact O-N 3.39Å |
| 399 | K | 91.3 | Very high | 87.7 | Confident | 104 Ų | 104 | 51.3 Ų | 51.3 | 45% | 0.452 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.4 | -35 | 178.8 | -170.6 | 176.9 | 177.8 | 179.6 | 0 | 110.9 | N395 M397 F401 K403 | N395-K399 VanDerWaalsContact O-CB 3.3Å; N395-K399 WeakPolarHBondContact O-CB 2.19Å; N395-K399 PolarHBondContact O-N 3.16Å; M397-K399 VanDerWaalsContact C-N 3.26Å; M397-K399 PolarHBondContact O-N 2.29Å; K399-F401 VanDerWaalsContact C-N 3.28Å; K399-F401 PolarHBondContact O-N 2.47Å; K399-K403 CarbonylContact O-C 3.53Å; K399-K403 VanDerWaalsContact O-CA 3.3Å; K399-K403 WeakPolarHBondContact O-CA 3.45Å; K399-K403 PolarHBondContact O-N 1.93Å |
| 400 | A | 89.9 | Confident | 86.7 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.9 | 0 | -177 | 0 | 0 | 0 | 0 | 0 | 110.4 | E396 M397 V398 P404 N601 N603 V604 L607 | E396-A400 WeakPolarHBondContact O-CB 3.12Å; E396-A400 PolarHBondContact O-N 1.93Å; M397-A400 WeakPolarHBondContact O-CB 3.06Å; M397-A400 PolarHBondContact O-N 3.36Å; M397-A400 VanDerWaalsContact O-N 3.16Å; V398-A400 PolarHBondContact O-N 3.19Å; A400-P404 WeakPolarHBondContact O-CB 3.34Å; A400-N601 PolarHBondContact O-ND2 3.11Å; A400-N603 HydrophobicContact CB-CB 3.98Å; A400-V604 HydrophobicContact CB-CG2 3.74Å; A400-L607 HydrophobicContact CB-CD1 3.67Å |
| 401 | F | 91.4 | Very high | 86 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | H | α-helix | 0 | -38 | 0 | -84.2 | -61.3 | 0 | 0 | 0 | 110.4 | M397 V398 K399 V422 A425 V426 I429 V604 | M397-F401 HydrophobicContact CE-CD2 4.15Å; M397-F401 HydrophobicContact CE-CE2 3.6Å; M397-F401 HydrophobicContact CG-CD2 3.89Å; M397-F401 HydrophobicContact CG-CE2 3.79Å; M397-F401 WeakPolarHBondContact O-CD2 3.37Å; M397-F401 PolarHBondContact O-N 3.48Å; V398-F401 PolarHBondContact O-N 2.6Å; K399-F401 VanDerWaalsContact C-N 3.28Å; K399-F401 PolarHBondContact O-N 2.47Å; F401-V422 HydrophobicContact CB-CG1 4.16Å; F401-V422 WeakPolarHBondContact O-CG2 3.13Å; F401-A425 HydrophobicContact CD1-CB 4.02Å; F401-A425 HydrophobicContact CE1-CB 4.21Å; F401-V426 HydrophobicContact CD1-CG2 3.86Å; F401-V426 HydrophobicContact CE1-CB 4.49Å; F401-V426 HydrophobicContact CE1-CG2 3.79Å; F401-V426 HydrophobicContact CG-CG2 4.29Å; F401-V426 HydrophobicContact CZ-CG2 4.17Å; F401-I429 HydrophobicContact CE1-CG1 4.1Å; F401-I429 HydrophobicContact CZ-CB 4.45Å; F401-I429 HydrophobicContact CZ-CG1 4.26Å; F401-V604 HydrophobicContact CD1-CG2 4.09Å; F401-V604 HydrophobicContact CD2-CG2 4.48Å; F401-V604 HydrophobicContact CE1-CG2 3.84Å; F401-V604 HydrophobicContact CE2-CG2 4.25Å; F401-V604 HydrophobicContact CG-CG2 4.39Å; F401-V604 HydrophobicContact CZ-CG1 4.08Å; F401-V604 HydrophobicContact CZ-CG2 3.93Å | |
| 402 | L | 91.7 | Very high | 85.4 | Confident | 26 Ų | 26 | 68 Ų | 68 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -88.2 | -38.6 | -172.4 | -69.5 | 179 | 0 | 0 | 0 | 110.7 | F366 A375 L377 V398 Q417 V422 | F366-L402 HydrophobicContact CD1-CD2 4.11Å; F366-L402 HydrophobicContact CE1-CD2 4.24Å; A375-L402 HydrophobicContact CB-CD2 3.93Å; A375-L402 WeakPolarHBondContact O-CD2 0.95Å; L377-L402 HydrophobicContact CB-CD1 4.26Å; V398-L402 HydrophobicContact CG1-CD1 3.47Å; V398-L402 VanDerWaalsContact CG1-CD1 3.47Å; V398-L402 HydrophobicContact CG1-CG 4.17Å; V398-L402 WeakPolarHBondContact O-CB 3.33Å; V398-L402 WeakPolarHBondContact O-CG 3.03Å; V398-L402 PolarHBondContact O-N 3.39Å; L402-Q417 PolarHBondContact O-N 2.74Å; L402-V422 HydrophobicContact CD2-CG1 4.28Å; L402-V422 HydrophobicContact CD2-CG2 4.04Å |
| 403 | K | 89.7 | Confident | 84.9 | Confident | 110 Ų | 110 | 71 Ų | 71 | 48% | 0.478 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -134.7 | 0 | -177.9 | -67.1 | -177.5 | -177.7 | -179 | 0 | 109.5 | K399 K415 A416 | K399-K403 CarbonylContact O-C 3.53Å; K399-K403 VanDerWaalsContact O-CA 3.3Å; K399-K403 WeakPolarHBondContact O-CA 3.45Å; K399-K403 PolarHBondContact O-N 1.93Å; K403-K415 WeakPolarHBondContact CA-O 3.37Å; K403-A416 HydrophobicContact CG-CB 4.41Å |
| 404 | P | 86.8 | Confident | 84.6 | Confident | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | 0 | 136.6 | 0 | 25.5 | -30.2 | 0 | 0 | 0 | 112.1 | A400 I406 K415 Q417 N603 | A400-P404 WeakPolarHBondContact O-CB 3.34Å; P404-I406 HydrophobicContact CB-CG1 4.33Å; P404-I406 HydrophobicContact CG-CD1 4.36Å; P404-I406 HydrophobicContact CG-CG1 4.44Å; P404-I406 PolarHBondContact O-N 3.44Å; P404-K415 WeakPolarHBondContact CD-O 3.47Å; P404-K415 PolarHBondContact O-N 2.71Å; P404-Q417 HydrophobicContact CG-CG 3.56Å; P404-N603 WeakPolarHBondContact CA-ND2 3.37Å; P404-N603 WeakPolarHBondContact CB-ND2 3.14Å | |||
| 405 | R | 84 | Confident | 84.3 | Confident | 132 Ų | 132 | 74.5 Ų | 74.5 | 50% | 0.498 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 103.5 | 174.3 | -66.9 | 179.7 | 77.8 | 179.4 | -0.6 | 110.8 | L412 V413 N603 | R405-L412 HydrophobicContact CB-CD2 4.29Å; R405-V413 CarbonylContact C-O 2.97Å; R405-N603 PolarHBondContact N-ND2 3.31Å; R405-N603 PolarHBondContact O-ND2 3.37Å; R405-N603 VanDerWaalsContact O-ND2 3.1Å; R405-N603 PolarHBondContact O-OD1 2.13Å |
| 406 | I | 80.3 | Confident | 84.1 | Confident | 65 Ų | 65 | 69.6 Ų | 69.6 | 33% | 0.333 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.5 | -174.5 | -57.2 | 168.1 | 0 | 0 | 0 | 109.3 | P404 V408 V413 K415 | P404-I406 HydrophobicContact CB-CG1 4.33Å; P404-I406 HydrophobicContact CG-CD1 4.36Å; P404-I406 HydrophobicContact CG-CG1 4.44Å; P404-I406 PolarHBondContact O-N 3.44Å; I406-V408 HydrophobicContact CG2-CG2 4.42Å; I406-V408 PolarHBondContact O-N 2.42Å; I406-V413 PolarHBondContact N-O 2.57Å; I406-V413 PolarHBondContact O-N 3.33Å; I406-K415 HydrophobicContact CD1-CB 4.25Å; I406-K415 HydrophobicContact CD1-CD 4.48Å |
| 407 | K | 71.9 | Confident | 84 | Confident | 72 Ų | 72 | 66 Ų | 66 | 31% | 0.313 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 0 | 177.3 | -169.6 | 175.5 | 178.9 | 177.4 | 0 | 110.4 | D411 T633 | K407-D411 WeakPolarHBondContact CA-O 3.35Å; K407-T633 WeakPolarHBondContact CE-OG1 3.07Å; K407-T633 VanDerWaalsContact NZ-CB 3.3Å; K407-T633 PolarHBondContact NZ-OG1 2.2Å |
| 408 | V | 72.2 | Confident | 84 | Confident | 98 Ų | 98 | 67.9 Ų | 67.9 | 59% | 0.594 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 104.1 | 0 | -178 | 0 | 0 | 0 | 0 | 109 | I406 K410 D411 V413 | I406-V408 HydrophobicContact CG2-CG2 4.42Å; I406-V408 PolarHBondContact O-N 2.42Å; V408-K410 PolarHBondContact O-N 2.3Å; V408-D411 PolarHBondContact N-O 2.23Å; V408-D411 PolarHBondContact O-N 3.14Å; V408-V413 HydrophobicContact CB-CG2 4.41Å; V408-V413 HydrophobicContact CG2-CG2 4.35Å | |
| 409 | G | 70.2 | Confident | 83.9 | Confident | 47 Ų | 47 | 70.6 Ų | 70.6 | 49% | 0.485 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 0 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 410 | K | 73.8 | Confident | 83.7 | Confident | 157 Ų | 157 | 70.3 Ų | 70.3 | 68% | 0.683 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -71.7 | -172.9 | -179.7 | -178.6 | 0 | 110.1 | V408 | V408-K410 PolarHBondContact O-N 2.3Š| |
| 411 | D | 78.1 | Confident | 83.6 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 63% | 0.631 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | 0 | 140.5 | 0 | -66.1 | -34.8 | 0 | 0 | 0 | 109.6 | K407 V408 | K407-D411 WeakPolarHBondContact CA-O 3.35Å; V408-D411 PolarHBondContact N-O 2.23Å; V408-D411 PolarHBondContact O-N 3.14Å | |
| 412 | L | 80.5 | Confident | 83.5 | Confident | 107 Ų | 107 | 73 Ų | 73 | 56% | 0.56 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 110.7 | 173.7 | -80.6 | 138 | 0 | 0 | 0 | 109.9 | R405 | R405-L412 HydrophobicContact CB-CD2 4.29Å |
| 413 | V | 82.6 | Confident | 83.4 | Confident | 71 Ų | 71 | 73.4 Ų | 73.4 | 43% | 0.43 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.4 | -178 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | R405 I406 V408 | R405-V413 CarbonylContact C-O 2.97Å; I406-V413 PolarHBondContact N-O 2.57Å; I406-V413 PolarHBondContact O-N 3.33Å; V408-V413 HydrophobicContact CB-CG2 4.41Å; V408-V413 HydrophobicContact CG2-CG2 4.35Å |
| 414 | S | 86.2 | Confident | 83.2 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 113.7 | 174 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 415 | K | 84.8 | Confident | 83.3 | Confident | 110 Ų | 110 | 70.8 Ų | 70.8 | 48% | 0.478 | 38% | 0.375 | S | S | . | . | trans | -112 | 125.2 | -177.1 | -175 | 179.3 | 177.9 | -178.6 | 0 | 109.5 | K403 P404 I406 | K403-K415 WeakPolarHBondContact CA-O 3.37Å; P404-K415 WeakPolarHBondContact CD-O 3.47Å; P404-K415 PolarHBondContact O-N 2.71Å; I406-K415 HydrophobicContact CD1-CB 4.25Å; I406-K415 HydrophobicContact CD1-CD 4.48Å | ||
| 416 | A | 87.8 | Confident | 83.6 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 0 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q374 K403 | Q374-A416 HydrophobicContact CB-CB 4.33Å; Q374-A416 HydrophobicContact CG-CB 3.72Å; K403-A416 HydrophobicContact CG-CB 4.41Å |
| 417 | Q | 88.5 | Confident | 84.1 | Confident | 27 Ų | 27 | 63 Ų | 63 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | 0 | 147.7 | 0 | -65.7 | -73.8 | -25.5 | 0 | 0 | 109.6 | A375 L402 P404 Q421 V422 | A375-Q417 PolarHBondContact N-O 3.42Å; L402-Q417 PolarHBondContact O-N 2.74Å; P404-Q417 HydrophobicContact CG-CG 3.56Å; Q417-Q421 HydrophobicContact CB-CB 4.07Å; Q417-V422 HydrophobicContact CB-CG2 3.36Å; Q417-V422 HydrophobicContact CG-CG2 4.42Å | |
| 418 | T | 89.9 | Confident | 84.8 | Confident | 43 Ų | 43 | 59.5 Ų | 59.5 | 26% | 0.264 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -75 | 165.2 | 175.2 | 60.3 | 0 | 0 | 0 | 0 | 110.1 | T420 Q421 V422 | T418-T420 PolarHBondContact O-N 2.58Å; T418-T420 PolarHBondContact OG1-OG1 1.92Å; T418-Q421 PolarHBondContact O-N 2.9Å; T418-Q421 WeakPolarHBondContact OG1-CG 3.08Å; T418-Q421 PolarHBondContact OG1-N 3.29Å; T418-Q421 PolarHBondContact OG1-OE1 2.69Å; T418-V422 WeakPolarHBondContact O-CG2 3.14Å; T418-V422 PolarHBondContact O-N 3.41Å |
| 419 | K | 91.1 | Very high | 85.7 | Confident | 79 Ų | 79 | 55 Ų | 55 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -55.6 | -41.3 | -179.5 | 177.3 | -175.8 | 174.2 | -176.9 | 0 | 110.9 | F366 Q368 A375 Q421 V422 E423 | F366-K419 HydrophobicContact CB-CG 4.03Å; F366-K419 VanDerWaalsContact O-CE 3.24Å; F366-K419 WeakPolarHBondContact O-CE 3.09Å; Q368-K419 HydrophobicContact CB-CB 4.4Å; A375-K419 VanDerWaalsContact CB-CA 3.5Å; A375-K419 HydrophobicContact CB-CB 4.32Å; K419-Q421 VanDerWaalsContact C-N 3.33Å; K419-Q421 PolarHBondContact O-N 2.81Å; K419-V422 PolarHBondContact O-N 2.67Å; K419-E423 WeakPolarHBondContact CE-OE1 3.36Å; K419-E423 HydrophobicContact CG-CG 4.49Å; K419-E423 WeakPolarHBondContact O-CG 3.4Å; K419-E423 PolarHBondContact O-N 2.66Å |
| 420 | T | 86.4 | Confident | 86.7 | Confident | 98 Ų | 98 | 52.8 Ų | 52.8 | 60% | 0.601 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -68.2 | -35.4 | -177.3 | 48.3 | 0 | 0 | 0 | 0 | 110.9 | T418 F424 | T418-T420 PolarHBondContact O-N 2.58Å; T418-T420 PolarHBondContact OG1-OG1 1.92Å; T420-F424 WeakPolarHBondContact O-CB 3.4Å; T420-F424 PolarHBondContact O-N 2.55Å |
| 421 | Q | 87.3 | Confident | 87.5 | Confident | 70 Ų | 70 | 45.8 Ų | 45.8 | 33% | 0.327 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71.8 | -39.2 | -178.4 | -71.9 | 176 | -28.6 | 0 | 0 | 110.4 | Q417 T418 K419 F424 A425 | Q417-Q421 HydrophobicContact CB-CB 4.07Å; T418-Q421 PolarHBondContact O-N 2.9Å; T418-Q421 WeakPolarHBondContact OG1-CG 3.08Å; T418-Q421 PolarHBondContact OG1-N 3.29Å; T418-Q421 PolarHBondContact OG1-OE1 2.69Å; K419-Q421 VanDerWaalsContact C-N 3.33Å; K419-Q421 PolarHBondContact O-N 2.81Å; Q421-F424 WeakPolarHBondContact O-CB 3.01Å; Q421-F424 PolarHBondContact O-N 2.85Å; Q421-A425 PolarHBondContact O-N 2.77Å |
| 422 | V | 89.4 | Confident | 88 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.4 | -41.1 | -178 | 174.7 | 0 | 0 | 0 | 0 | 108.8 | F366 A375 F401 L402 Q417 T418 K419 F424 A425 V426 | F366-V422 HydrophobicContact CD1-CG1 3.67Å; F366-V422 HydrophobicContact CD2-CB 4.45Å; F366-V422 HydrophobicContact CD2-CG1 3.85Å; F366-V422 HydrophobicContact CE1-CG1 3.28Å; F366-V422 HydrophobicContact CE2-CB 4.47Å; F366-V422 HydrophobicContact CE2-CG1 3.48Å; F366-V422 VanDerWaalsContact CE2-CG1 3.48Å; F366-V422 HydrophobicContact CG-CB 4.47Å; F366-V422 HydrophobicContact CG-CG1 3.93Å; F366-V422 HydrophobicContact CZ-CG1 3.18Å; A375-V422 HydrophobicContact CB-CB 4.22Å; A375-V422 HydrophobicContact CB-CG2 3.63Å; F401-V422 HydrophobicContact CB-CG1 4.16Å; F401-V422 WeakPolarHBondContact O-CG2 3.13Å; L402-V422 HydrophobicContact CD2-CG1 4.28Å; L402-V422 HydrophobicContact CD2-CG2 4.04Å; Q417-V422 HydrophobicContact CB-CG2 3.36Å; Q417-V422 HydrophobicContact CG-CG2 4.42Å; T418-V422 WeakPolarHBondContact O-CG2 3.14Å; T418-V422 PolarHBondContact O-N 3.41Å; K419-V422 PolarHBondContact O-N 2.67Å; V422-F424 PolarHBondContact O-N 3.19Å; V422-A425 PolarHBondContact O-N 2.68Å; V422-A425 VanDerWaalsContact O-N 3.12Å; V422-V426 HydrophobicContact CG1-CG2 4.37Å; V422-V426 VanDerWaalsContact O-CG2 3.3Å; V422-V426 WeakPolarHBondContact O-CG2 3.5Å; V422-V426 PolarHBondContact O-N 3.38Å |
| 423 | E | 89.9 | Confident | 88.5 | Confident | 36 Ų | 36 | 35.3 Ų | 35.3 | 17% | 0.168 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -38.8 | 178.7 | -75.8 | 177.9 | 167.9 | 0 | 0 | 111.1 | F366 K419 A425 V426 E427 | F366-E423 HydrophobicContact CD2-CG 3.73Å; F366-E423 HydrophobicContact CE2-CG 4.35Å; K419-E423 WeakPolarHBondContact CE-OE1 3.36Å; K419-E423 HydrophobicContact CG-CG 4.49Å; K419-E423 WeakPolarHBondContact O-CG 3.4Å; K419-E423 PolarHBondContact O-N 2.66Å; E423-A425 VanDerWaalsContact C-N 3.32Å; E423-V426 PolarHBondContact O-N 2.89Å; E423-E427 WeakPolarHBondContact O-CB 3.2Å; E423-E427 WeakPolarHBondContact O-CG 3.19Å; E423-E427 PolarHBondContact O-N 3.5Å |
| 424 | F | 85.6 | Confident | 89.1 | Confident | 45 Ų | 45 | 32 Ų | 32 | 20% | 0.197 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.6 | -46.8 | 177.5 | 175.9 | -100.2 | 0 | 0 | 0 | 110.9 | T420 Q421 V422 V426 E427 A428 M594 P599 | T420-F424 WeakPolarHBondContact O-CB 3.4Å; T420-F424 PolarHBondContact O-N 2.55Å; Q421-F424 WeakPolarHBondContact O-CB 3.01Å; Q421-F424 PolarHBondContact O-N 2.85Å; V422-F424 PolarHBondContact O-N 3.19Å; F424-V426 PolarHBondContact O-N 2.92Å; F424-E427 CarbonylContact O-C 3.2Å; F424-E427 WeakPolarHBondContact O-CB 3.11Å; F424-E427 PolarHBondContact O-N 3.34Å; F424-E427 VanDerWaalsContact O-N 3.1Å; F424-A428 HydrophobicContact CE1-CB 4.49Å; F424-A428 WeakPolarHBondContact O-CB 3.13Å; F424-A428 PolarHBondContact O-N 2.64Å; F424-M594 HydrophobicContact CD1-CE 3.85Å; F424-M594 HydrophobicContact CD2-CE 4.03Å; F424-M594 HydrophobicContact CE1-CE 3.35Å; F424-M594 HydrophobicContact CE2-CB 4.08Å; F424-M594 HydrophobicContact CE2-CE 3.54Å; F424-M594 HydrophobicContact CG-CE 4.17Å; F424-M594 HydrophobicContact CZ-CB 4.25Å; F424-M594 HydrophobicContact CZ-CE 3.16Å; F424-P599 HydrophobicContact CD1-CG 4.37Å; F424-P599 HydrophobicContact CE1-CB 4.49Å; F424-P599 VanDerWaalsContact CE1-CD 3.48Å; F424-P599 HydrophobicContact CE1-CG 3.2Å; F424-P599 HydrophobicContact CZ-CG 3.67Å |
| 425 | A | 87.9 | Confident | 89.3 | Confident | 14 Ų | 14 | 31.7 Ų | 31.7 | 12% | 0.116 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.7 | -38.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F401 Q421 V422 E423 E427 A428 I429 | F401-A425 HydrophobicContact CD1-CB 4.02Å; F401-A425 HydrophobicContact CE1-CB 4.21Å; Q421-A425 PolarHBondContact O-N 2.77Å; V422-A425 PolarHBondContact O-N 2.68Å; V422-A425 VanDerWaalsContact O-N 3.12Å; E423-A425 VanDerWaalsContact C-N 3.32Å; A425-E427 VanDerWaalsContact C-N 3.29Å; A425-E427 PolarHBondContact O-N 3.36Å; A425-A428 PolarHBondContact O-N 3.2Å; A425-I429 WeakPolarHBondContact O-CB 2.96Å; A425-I429 VanDerWaalsContact O-CG1 3.25Å; A425-I429 WeakPolarHBondContact O-CG1 3.31Å; A425-I429 PolarHBondContact O-N 2.71Å |
| 426 | V | 91.3 | Very high | 89.5 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 4% | 0.036 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.9 | -40.6 | -179.8 | 169.3 | 0 | 0 | 0 | 0 | 109.2 | L361 L364 F366 F401 V422 E423 F424 A428 I429 S430 | L361-V426 HydrophobicContact CB-CG1 4.13Å; L361-V426 HydrophobicContact CD2-CG1 4.27Å; L361-V426 VanDerWaalsContact O-CG1 3.28Å; L361-V426 WeakPolarHBondContact O-CG1 2.81Å; L364-V426 HydrophobicContact CD1-CG1 4.28Å; L364-V426 HydrophobicContact CD1-CG2 4.2Å; F366-V426 HydrophobicContact CE2-CG2 3.76Å; F366-V426 HydrophobicContact CZ-CG2 3.69Å; F401-V426 HydrophobicContact CD1-CG2 3.86Å; F401-V426 HydrophobicContact CE1-CB 4.49Å; F401-V426 HydrophobicContact CE1-CG2 3.79Å; F401-V426 HydrophobicContact CG-CG2 4.29Å; F401-V426 HydrophobicContact CZ-CG2 4.17Å; V422-V426 HydrophobicContact CG1-CG2 4.37Å; V422-V426 VanDerWaalsContact O-CG2 3.3Å; V422-V426 WeakPolarHBondContact O-CG2 3.5Å; V422-V426 PolarHBondContact O-N 3.38Å; E423-V426 PolarHBondContact O-N 2.89Å; F424-V426 PolarHBondContact O-N 2.92Å; V426-A428 VanDerWaalsContact C-N 3.32Å; V426-A428 PolarHBondContact O-N 3.37Å; V426-I429 PolarHBondContact O-N 3.48Å; V426-S430 WeakPolarHBondContact O-CB 3.34Å; V426-S430 PolarHBondContact O-N 3.29Å; V426-S430 PolarHBondContact O-OG 3.32Å |
| 427 | E | 89.9 | Confident | 89.8 | Confident | 26 Ų | 26 | 27 Ų | 27 | 12% | 0.121 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.5 | -42.7 | 178.5 | -71.1 | 178.2 | 174.6 | 0 | 0 | 111.4 | I277 R278 F314 E423 F424 A425 I429 S430 K431 | I277-E427 HydrophobicContact CD1-CB 4.18Å; I277-E427 HydrophobicContact CD1-CG 4.44Å; I277-E427 HydrophobicContact CG2-CB 4.36Å; I277-E427 HydrophobicContact CG2-CG 4.49Å; R278-E427 IonicContact NE-OE1 3.05Å; R278-E427 IonicContact NH2-OE1 3.2Å; R278-E427 PolarHBondContact NH2-OE1 2.88Å; R278-E427 IonicContact NH2-OE2 3.19Å; F314-E427 HydrophobicContact CE1-CG 4.4Å; E423-E427 WeakPolarHBondContact O-CB 3.2Å; E423-E427 WeakPolarHBondContact O-CG 3.19Å; E423-E427 PolarHBondContact O-N 3.5Å; F424-E427 CarbonylContact O-C 3.2Å; F424-E427 WeakPolarHBondContact O-CB 3.11Å; F424-E427 PolarHBondContact O-N 3.34Å; F424-E427 VanDerWaalsContact O-N 3.1Å; A425-E427 VanDerWaalsContact C-N 3.29Å; A425-E427 PolarHBondContact O-N 3.36Å; E427-I429 VanDerWaalsContact C-N 3.28Å; E427-I429 PolarHBondContact O-N 3.17Å; E427-S430 PolarHBondContact O-N 2.26Å; E427-K431 WeakPolarHBondContact O-CG 3.31Å; E427-K431 PolarHBondContact O-N 2.27Å |
| 428 | A | 86.7 | Confident | 90.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F424 A425 V426 S430 K431 S432 P599 L600 | F424-A428 HydrophobicContact CE1-CB 4.49Å; F424-A428 WeakPolarHBondContact O-CB 3.13Å; F424-A428 PolarHBondContact O-N 2.64Å; A425-A428 PolarHBondContact O-N 3.2Å; V426-A428 VanDerWaalsContact C-N 3.32Å; V426-A428 PolarHBondContact O-N 3.37Å; A428-S430 VanDerWaalsContact C-N 3.29Å; A428-S430 PolarHBondContact O-N 3.14Å; A428-K431 PolarHBondContact O-N 3.43Å; A428-S432 WeakPolarHBondContact O-CB 3.46Å; A428-S432 PolarHBondContact O-N 2.53Å; A428-P599 WeakPolarHBondContact CB-O 3.42Å; A428-L600 HydrophobicContact CB-CD2 4.18Å |
| 429 | I | 90.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.5 | -35.4 | -179.6 | -73.5 | -63.6 | 0 | 0 | 0 | 109.3 | F401 A425 V426 E427 S432 I433 L600 V604 V605 L608 | F401-I429 HydrophobicContact CE1-CG1 4.1Å; F401-I429 HydrophobicContact CZ-CB 4.45Å; F401-I429 HydrophobicContact CZ-CG1 4.26Å; A425-I429 WeakPolarHBondContact O-CB 2.96Å; A425-I429 VanDerWaalsContact O-CG1 3.25Å; A425-I429 WeakPolarHBondContact O-CG1 3.31Å; A425-I429 PolarHBondContact O-N 2.71Å; V426-I429 PolarHBondContact O-N 3.48Å; E427-I429 VanDerWaalsContact C-N 3.28Å; E427-I429 PolarHBondContact O-N 3.17Å; I429-S432 PolarHBondContact O-N 2.94Å; I429-I433 HydrophobicContact CG2-CD1 3.71Å; I429-I433 HydrophobicContact CG2-CG1 4.09Å; I429-I433 WeakPolarHBondContact O-CB 2.89Å; I429-I433 WeakPolarHBondContact O-CG1 2.94Å; I429-I433 PolarHBondContact O-N 3.11Å; I429-L600 HydrophobicContact CD1-CD2 4.28Å; I429-V604 HydrophobicContact CD1-CB 4.09Å; I429-V604 HydrophobicContact CD1-CG1 3.88Å; I429-V604 HydrophobicContact CG1-CB 4.34Å; I429-V604 HydrophobicContact CG1-CG1 4.01Å; I429-V604 HydrophobicContact CG2-CG1 4.24Å; I429-V605 HydrophobicContact CD1-CG2 4.45Å; I429-L608 HydrophobicContact CG2-CD1 4.47Å |
| 430 | S | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.3 | -44.2 | 179 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | F314 L361 V426 E427 A428 S432 I433 Y434 | F314-S430 WeakPolarHBondContact CE2-OG 3.5Å; L361-S430 VanDerWaalsContact CB-OG 3.28Å; L361-S430 WeakPolarHBondContact CB-OG 2.73Å; L361-S430 VanDerWaalsContact CD1-OG 3.25Å; L361-S430 WeakPolarHBondContact CD1-OG 2.81Å; V426-S430 WeakPolarHBondContact O-CB 3.34Å; V426-S430 PolarHBondContact O-N 3.29Å; V426-S430 PolarHBondContact O-OG 3.32Å; E427-S430 PolarHBondContact O-N 2.26Å; A428-S430 VanDerWaalsContact C-N 3.29Å; A428-S430 PolarHBondContact O-N 3.14Å; S430-S432 PolarHBondContact O-N 2.41Å; S430-I433 PolarHBondContact O-N 2.46Å; S430-Y434 PolarHBondContact O-N 3.05Å; S430-Y434 VanDerWaalsContact O-N 3.16Å |
| 431 | K | 89.1 | Confident | 90.5 | Very high | 11 Ų | 11 | 22 Ų | 22 | 5% | 0.048 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.2 | -40.6 | 176.1 | -71 | -169.1 | -73.5 | -178.7 | 0 | 111.6 | K273 I277 E427 A428 Y434 E435 | K273-K431 HydrophobicContact CB-CB 4.12Å; K273-K431 HydrophobicContact CB-CD 4.28Å; K273-K431 HydrophobicContact CB-CG 4.37Å; K273-K431 HydrophobicContact CD-CB 4.13Å; K273-K431 HydrophobicContact CD-CD 4.18Å; K273-K431 HydrophobicContact CG-CB 4.34Å; K273-K431 HydrophobicContact CG-CD 3.89Å; K273-K431 HydrophobicContact CG-CG 4.5Å; I277-K431 HydrophobicContact CD1-CD 3.96Å; I277-K431 HydrophobicContact CD1-CG 4.35Å; I277-K431 HydrophobicContact CG1-CD 4.46Å; I277-K431 HydrophobicContact CG2-CG 4Å; E427-K431 WeakPolarHBondContact O-CG 3.31Å; E427-K431 PolarHBondContact O-N 2.27Å; A428-K431 PolarHBondContact O-N 3.43Å; K431-Y434 PolarHBondContact O-N 2.19Å; K431-E435 WeakPolarHBondContact O-CB 3.4Å; K431-E435 PolarHBondContact O-N 2.2Å |
| 432 | S | 88.7 | Confident | 90.7 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 3% | 0.028 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.9 | -40 | -177.2 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | A428 I429 S430 Y434 E435 R436 W620 | A428-S432 WeakPolarHBondContact O-CB 3.46Å; A428-S432 PolarHBondContact O-N 2.53Å; I429-S432 PolarHBondContact O-N 2.94Å; S430-S432 PolarHBondContact O-N 2.41Å; S432-Y434 PolarHBondContact O-N 2.87Å; S432-E435 PolarHBondContact O-N 3.43Å; S432-R436 WeakPolarHBondContact O-CB 2.65Å; S432-R436 WeakPolarHBondContact O-CG 3.04Å; S432-R436 PolarHBondContact O-N 2.88Å; S432-W620 VanDerWaalsContact OG-CH2 3.31Å; S432-W620 WeakPolarHBondContact OG-CH2 2.35Å |
| 433 | I | 92.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.1 | -41.1 | -179.9 | -73.8 | 176.1 | 0 | 0 | 0 | 109.1 | V354 V358 L361 L390 I429 S430 R436 L437 L608 M619 W620 | V354-I433 HydrophobicContact CG1-CG2 3.22Å; V358-I433 HydrophobicContact CG2-CB 4.19Å; V358-I433 HydrophobicContact CG2-CG2 3.74Å; L361-I433 HydrophobicContact CD1-CD1 3.95Å; L390-I433 HydrophobicContact CD1-CD1 4.18Å; I429-I433 HydrophobicContact CG2-CD1 3.71Å; I429-I433 HydrophobicContact CG2-CG1 4.09Å; I429-I433 WeakPolarHBondContact O-CB 2.89Å; I429-I433 WeakPolarHBondContact O-CG1 2.94Å; I429-I433 PolarHBondContact O-N 3.11Å; S430-I433 PolarHBondContact O-N 2.46Å; I433-R436 PolarHBondContact O-N 3.39Å; I433-L437 WeakPolarHBondContact O-CB 3.4Å; I433-L437 PolarHBondContact O-N 2.69Å; I433-L608 HydrophobicContact CG1-CD1 4.5Å; I433-M619 VanDerWaalsContact O-CE 3.3Å; I433-M619 WeakPolarHBondContact O-CE 3.28Å; I433-W620 HydrophobicContact CB-CZ2 4.49Å; I433-W620 HydrophobicContact CG1-CH2 4.45Å; I433-W620 HydrophobicContact CG1-CZ2 3.48Å; I433-W620 VanDerWaalsContact CG1-CZ2 3.48Å |
| 434 | Y | 94.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.8 | -45.7 | -179 | -173.7 | -96.2 | 0 | 0 | 0 | 110.6 | F233 L271 V276 F286 I288 F289 S430 K431 S432 R436 L437 F438 | F233-Y434 WeakPolarHBondContact CA-OH 2.94Å; F233-Y434 PolarHBondContact O-OH 3.22Å; L271-Y434 HydrophobicContact CD2-CD1 3.89Å; L271-Y434 HydrophobicContact CD2-CE1 3.97Å; V276-Y434 HydrophobicContact CG2-CD1 3.56Å; V276-Y434 HydrophobicContact CG2-CD2 4.2Å; V276-Y434 HydrophobicContact CG2-CE1 4.05Å; V276-Y434 HydrophobicContact CG2-CG 3.66Å; F286-Y434 WeakPolarHBondContact CB-OH 2.86Å; F286-Y434 HydrophobicContact CD1-CE1 4.46Å; F286-Y434 HydrophobicContact CD2-CD1 4.16Å; F286-Y434 AromaticContact CD2-CE1 3.25Å; F286-Y434 HydrophobicContact CD2-CE1 3.25Å; F286-Y434 HydrophobicContact CD2-CE2 4.04Å; F286-Y434 AromaticContact CD2-CZ 3.19Å; F286-Y434 WeakPolarHBondContact CD2-OH 3.26Å; F286-Y434 HydrophobicContact CE1-CE1 4.41Å; F286-Y434 AromaticContact CE2-CD1 3.88Å; F286-Y434 HydrophobicContact CE2-CD1 3.88Å; F286-Y434 AromaticContact CE2-CE1 3.19Å; F286-Y434 HydrophobicContact CE2-CE1 3.19Å; F286-Y434 AromaticContact CE2-CZ 3.7Å; F286-Y434 AromaticContact CG-CE1 3.93Å; F286-Y434 HydrophobicContact CG-CE1 3.93Å; F286-Y434 AromaticContact CG-CZ 3.61Å; F286-Y434 WeakPolarHBondContact CG-OH 3.3Å; F286-Y434 AromaticContact CZ-CE1 3.82Å; F286-Y434 HydrophobicContact CZ-CE1 3.82Å; I288-Y434 HydrophobicContact CG2-CE2 4.33Å; F289-Y434 HydrophobicContact CE2-CD2 4.31Å; F289-Y434 AromaticContact CE2-CE2 3.82Å; F289-Y434 HydrophobicContact CE2-CE2 3.82Å; F289-Y434 AromaticContact CZ-CD2 3.81Å; F289-Y434 HydrophobicContact CZ-CD2 3.81Å; F289-Y434 AromaticContact CZ-CE2 3.7Å; F289-Y434 HydrophobicContact CZ-CE2 3.7Å; S430-Y434 PolarHBondContact O-N 3.05Å; S430-Y434 VanDerWaalsContact O-N 3.16Å; K431-Y434 PolarHBondContact O-N 2.19Å; S432-Y434 PolarHBondContact O-N 2.87Å; Y434-R436 VanDerWaalsContact C-N 3.29Å; Y434-R436 PolarHBondContact O-N 3.23Å; Y434-L437 WeakPolarHBondContact O-CB 3.33Å; Y434-L437 PolarHBondContact O-N 3.28Å; Y434-F438 PolarHBondContact O-N 3.47Å |
| 435 | E | 89.8 | Confident | 91.1 | Very high | 63 Ų | 63 | 21.5 Ų | 21.5 | 29% | 0.294 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -56.8 | -47.3 | 177.9 | -179.3 | -176.1 | -159 | 0 | 0 | 111.8 | L271 K431 S432 L437 F438 L439 | L271-E435 HydrophobicContact CD2-CB 4.39Å; K431-E435 WeakPolarHBondContact O-CB 3.4Å; K431-E435 PolarHBondContact O-N 2.2Å; S432-E435 PolarHBondContact O-N 3.43Å; E435-L437 PolarHBondContact O-N 2.41Å; E435-F438 WeakPolarHBondContact O-CB 2.53Å; E435-F438 PolarHBondContact O-N 2.53Å; E435-F438 VanDerWaalsContact O-N 3.13Å; E435-L439 HydrophobicContact CG-CD1 4.25Å; E435-L439 HydrophobicContact CG-CG 4.48Å; E435-L439 WeakPolarHBondContact O-CG 2.73Å; E435-L439 PolarHBondContact O-N 3.14Å |
| 436 | R | 90.8 | Very high | 91.3 | Very high | 37 Ų | 37 | 22.1 Ų | 22.1 | 14% | 0.14 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67 | -31.9 | -177.8 | -74.9 | -176 | 176.5 | -106.4 | 4 | 110.3 | S432 I433 Y434 F438 L439 W440 M619 | S432-R436 WeakPolarHBondContact O-CB 2.65Å; S432-R436 WeakPolarHBondContact O-CG 3.04Å; S432-R436 PolarHBondContact O-N 2.88Å; I433-R436 PolarHBondContact O-N 3.39Å; Y434-R436 VanDerWaalsContact C-N 3.29Å; Y434-R436 PolarHBondContact O-N 3.23Å; R436-F438 VanDerWaalsContact C-N 3.3Å; R436-L439 PolarHBondContact O-N 2.77Å; R436-W440 VanDerWaalsContact O-CB 3.28Å; R436-W440 WeakPolarHBondContact O-CB 3.12Å; R436-W440 PolarHBondContact O-N 2.06Å; R436-M619 VanDerWaalsContact C-CE 3.5Å; R436-M619 HydrophobicContact CB-CE 3.78Å; R436-M619 PolarHBondContact NH1-O 3.43Å |
| 437 | L | 93.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -44 | 174.6 | 172 | 65.7 | 0 | 0 | 0 | 110.4 | F233 I351 V354 I355 I433 Y434 E435 L439 W440 L441 F615 M619 | F233-L437 HydrophobicContact CD1-CD2 4.34Å; F233-L437 HydrophobicContact CE1-CD2 3.9Å; I351-L437 HydrophobicContact CB-CD1 4.43Å; I351-L437 HydrophobicContact CG1-CD1 3.99Å; I351-L437 HydrophobicContact CG2-CD1 4.1Å; I351-L437 HydrophobicContact CG2-CD2 4.12Å; V354-L437 HydrophobicContact CG1-CD2 4.4Å; I355-L437 HydrophobicContact CD1-CD2 4.41Å; I355-L437 HydrophobicContact CG1-CD2 3.83Å; I433-L437 WeakPolarHBondContact O-CB 3.4Å; I433-L437 PolarHBondContact O-N 2.69Å; Y434-L437 WeakPolarHBondContact O-CB 3.33Å; Y434-L437 PolarHBondContact O-N 3.28Å; E435-L437 PolarHBondContact O-N 2.41Å; L437-L439 VanDerWaalsContact C-N 3.31Å; L437-L439 PolarHBondContact O-N 3.25Å; L437-W440 WeakPolarHBondContact O-CB 3.08Å; L437-W440 PolarHBondContact O-N 2.33Å; L437-L441 HydrophobicContact CG-CD1 4.4Å; L437-L441 WeakPolarHBondContact O-CG 2.97Å; L437-L441 PolarHBondContact O-N 3.06Å; L437-F615 HydrophobicContact CD1-CE1 4.02Å; L437-F615 HydrophobicContact CD1-CZ 3.83Å; L437-M619 HydrophobicContact CB-CE 3.47Å; L437-M619 VanDerWaalsContact CB-CE 3.47Å; L437-M619 HydrophobicContact CB-SD 4.45Å; L437-M619 HydrophobicContact CD1-CE 4.39Å; L437-M619 HydrophobicContact CD1-SD 4.32Å |
| 438 | F | 93.4 | Very high | 91 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 178.2 | -177.2 | -106.8 | 0 | 0 | 0 | 111.3 | L230 F233 F247 T268 L271 Y434 E435 R436 W440 L441 V442 | L230-F438 HydrophobicContact CD2-CE2 4.17Å; L230-F438 HydrophobicContact CD2-CZ 4.27Å; F233-F438 HydrophobicContact CB-CD2 3.83Å; F233-F438 HydrophobicContact CB-CE2 4.21Å; F247-F438 HydrophobicContact CB-CZ 4.5Å; F247-F438 HydrophobicContact CD1-CZ 4.24Å; F247-F438 HydrophobicContact CD2-CE1 4.21Å; F247-F438 AromaticContact CD2-CZ 3.66Å; F247-F438 HydrophobicContact CD2-CZ 3.66Å; F247-F438 HydrophobicContact CE1-CZ 4.37Å; F247-F438 AromaticContact CE2-CZ 3.8Å; F247-F438 HydrophobicContact CE2-CZ 3.8Å; F247-F438 HydrophobicContact CG-CE1 4.43Å; F247-F438 AromaticContact CG-CZ 3.88Å; F247-F438 HydrophobicContact CG-CZ 3.88Å; F247-F438 HydrophobicContact CZ-CZ 4.17Å; T268-F438 HydrophobicContact CG2-CE1 3.88Å; T268-F438 HydrophobicContact CG2-CZ 4.18Å; L271-F438 HydrophobicContact CD1-CD1 4.35Å; L271-F438 HydrophobicContact CD1-CE1 4.38Å; L271-F438 HydrophobicContact CD1-CG 4.48Å; L271-F438 HydrophobicContact CD2-CB 3.93Å; L271-F438 HydrophobicContact CD2-CD1 4.08Å; L271-F438 HydrophobicContact CD2-CG 4.06Å; Y434-F438 PolarHBondContact O-N 3.47Å; E435-F438 WeakPolarHBondContact O-CB 2.53Å; E435-F438 PolarHBondContact O-N 2.53Å; E435-F438 VanDerWaalsContact O-N 3.13Å; R436-F438 VanDerWaalsContact C-N 3.3Å; F438-W440 VanDerWaalsContact C-N 3.28Å; F438-W440 PolarHBondContact O-N 3.14Å; F438-L441 WeakPolarHBondContact O-CB 3.19Å; F438-L441 PolarHBondContact O-N 3.08Å; F438-L441 VanDerWaalsContact O-N 3.14Å; F438-V442 HydrophobicContact CD1-CG2 4.32Å; F438-V442 HydrophobicContact CE1-CG2 4.01Å; F438-V442 HydrophobicContact CZ-CG2 4.16Å; F438-V442 VanDerWaalsContact O-CG2 3.32Å; F438-V442 WeakPolarHBondContact O-CG2 3.2Å; F438-V442 PolarHBondContact O-N 2.79Å |
| 439 | L | 90.8 | Very high | 90.9 | Very high | 83 Ų | 83 | 28.6 Ų | 28.6 | 44% | 0.435 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -67 | -37.5 | 179.9 | -70.3 | 176.4 | 0 | 0 | 0 | 110.8 | E435 R436 L437 L441 V442 A443 | E435-L439 HydrophobicContact CG-CD1 4.25Å; E435-L439 HydrophobicContact CG-CG 4.48Å; E435-L439 WeakPolarHBondContact O-CG 2.73Å; E435-L439 PolarHBondContact O-N 3.14Å; R436-L439 PolarHBondContact O-N 2.77Å; L437-L439 VanDerWaalsContact C-N 3.31Å; L437-L439 PolarHBondContact O-N 3.25Å; L439-L441 PolarHBondContact O-N 3.46Å; L439-V442 PolarHBondContact O-N 2.55Å; L439-A443 WeakPolarHBondContact O-CB 3.46Å; L439-A443 PolarHBondContact O-N 3.37Å |
| 440 | W | 92.7 | Very high | 90.4 | Very high | 54 Ų | 54 | 33 Ų | 33 | 21% | 0.205 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | 0 | 177 | -178.8 | 88.4 | 0 | 0 | 0 | 110.2 | D347 I351 R436 L437 F438 V442 A443 R444 F615 | D347-W440 HydrophobicContact CB-CH2 4.27Å; I351-W440 HydrophobicContact CD1-CZ3 3.95Å; I351-W440 HydrophobicContact CG1-CZ3 4.36Å; R436-W440 VanDerWaalsContact O-CB 3.28Å; R436-W440 WeakPolarHBondContact O-CB 3.12Å; R436-W440 PolarHBondContact O-N 2.06Å; L437-W440 WeakPolarHBondContact O-CB 3.08Å; L437-W440 PolarHBondContact O-N 2.33Å; F438-W440 VanDerWaalsContact C-N 3.28Å; F438-W440 PolarHBondContact O-N 3.14Å; W440-V442 VanDerWaalsContact C-N 3.3Å; W440-V442 PolarHBondContact O-N 2.58Å; W440-A443 PolarHBondContact O-N 0.42Å; W440-R444 HydrophobicContact CH2-CG 4.46Å; W440-R444 HydrophobicContact CZ3-CB 4.48Å; W440-R444 WeakPolarHBondContact O-CB 3.02Å; W440-R444 PolarHBondContact O-N 2.91Å; W440-F615 AromaticContact CD2-CE2 3.84Å; W440-F615 HydrophobicContact CD2-CE2 3.84Å; W440-F615 HydrophobicContact CD2-CZ 4.15Å; W440-F615 AromaticContact CE2-CE2 3.61Å; W440-F615 AromaticContact CE3-CE2 3.92Å; W440-F615 HydrophobicContact CE3-CE2 3.92Å; W440-F615 AromaticContact CE3-CZ 3.99Å; W440-F615 HydrophobicContact CE3-CZ 3.99Å; W440-F615 AromaticContact CH2-CE2 3.54Å; W440-F615 HydrophobicContact CH2-CE2 3.54Å; W440-F615 HydrophobicContact CH2-CZ 4.31Å; W440-F615 HydrophobicContact CZ2-CD2 4.19Å; W440-F615 AromaticContact CZ2-CE2 3.48Å; W440-F615 HydrophobicContact CZ2-CE2 3.48Å; W440-F615 VanDerWaalsContact CZ2-CE2 3.48Å; W440-F615 HydrophobicContact CZ2-CZ 4.48Å; W440-F615 AromaticContact CZ3-CE2 3.77Å; W440-F615 HydrophobicContact CZ3-CE2 3.77Å; W440-F615 HydrophobicContact CZ3-CZ 4.07Å |
| 441 | L | 92.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | 0 | -40.8 | 0 | -80.5 | 169 | 0 | 0 | 0 | 110.7 | F233 I343 I351 L437 F438 L439 A443 R444 I445 | F233-L441 HydrophobicContact CB-CD1 4.3Å; F233-L441 HydrophobicContact CD1-CD1 3.58Å; F233-L441 HydrophobicContact CD2-CD1 3.7Å; F233-L441 HydrophobicContact CE1-CD1 3.67Å; F233-L441 HydrophobicContact CE2-CD1 3.8Å; F233-L441 HydrophobicContact CG-CD1 3.59Å; F233-L441 HydrophobicContact CZ-CD1 3.78Å; I343-L441 HydrophobicContact CD1-CD2 4.02Å; I351-L441 HydrophobicContact CD1-CD2 3.66Å; L437-L441 HydrophobicContact CG-CD1 4.4Å; L437-L441 WeakPolarHBondContact O-CG 2.97Å; L437-L441 PolarHBondContact O-N 3.06Å; F438-L441 WeakPolarHBondContact O-CB 3.19Å; F438-L441 PolarHBondContact O-N 3.08Å; F438-L441 VanDerWaalsContact O-N 3.14Å; L439-L441 PolarHBondContact O-N 3.46Å; L441-A443 VanDerWaalsContact C-N 3.33Å; L441-A443 PolarHBondContact O-N 3.32Å; L441-R444 PolarHBondContact O-N 2.99Å; L441-I445 WeakPolarHBondContact O-CG1 2.6Å; L441-I445 PolarHBondContact O-N 2.39Å | |
| 442 | V | 91.8 | Very high | 87.8 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.3 | -42.7 | 179.3 | 171.7 | 0 | 0 | 0 | 0 | 110 | L230 I266 T268 F438 L439 W440 R444 I445 N446 | L230-V442 HydrophobicContact CD2-CG2 3.88Å; I266-V442 WeakPolarHBondContact O-CG1 3.17Å; T268-V442 HydrophobicContact CG2-CB 4.16Å; T268-V442 HydrophobicContact CG2-CG1 3.8Å; T268-V442 HydrophobicContact CG2-CG2 3.36Å; F438-V442 HydrophobicContact CD1-CG2 4.32Å; F438-V442 HydrophobicContact CE1-CG2 4.01Å; F438-V442 HydrophobicContact CZ-CG2 4.16Å; F438-V442 VanDerWaalsContact O-CG2 3.32Å; F438-V442 WeakPolarHBondContact O-CG2 3.2Å; F438-V442 PolarHBondContact O-N 2.79Å; L439-V442 PolarHBondContact O-N 2.55Å; W440-V442 VanDerWaalsContact C-N 3.3Å; W440-V442 PolarHBondContact O-N 2.58Å; V442-R444 PolarHBondContact O-N 2.21Å; V442-I445 PolarHBondContact O-N 3.22Å; V442-N446 WeakPolarHBondContact O-CB 2.8Å; V442-N446 PolarHBondContact O-N 3.27Å; V442-N446 PolarHBondContact O-ND2 3.13Å |
| 443 | A | 90.4 | Very high | 86.3 | Confident | 58 Ų | 58 | 52.9 Ų | 52.9 | 48% | 0.479 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.5 | -37.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L439 W440 L441 N446 K447 | L439-A443 WeakPolarHBondContact O-CB 3.46Å; L439-A443 PolarHBondContact O-N 3.37Å; W440-A443 PolarHBondContact O-N 0.42Å; L441-A443 VanDerWaalsContact C-N 3.33Å; L441-A443 PolarHBondContact O-N 3.32Å; A443-N446 PolarHBondContact O-N 3.1Å; A443-K447 PolarHBondContact O-N 2.34Å |
| 444 | R | 90.9 | Very high | 84.9 | Confident | 71 Ų | 71 | 62.8 Ų | 62.8 | 27% | 0.268 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.8 | -41.8 | -180 | -177.9 | 66.2 | 173.2 | 168.3 | -0.5 | 110.3 | I343 W440 L441 V442 N446 K447 T448 | I343-R444 HydrophobicContact CG1-CG 4.21Å; W440-R444 HydrophobicContact CH2-CG 4.46Å; W440-R444 HydrophobicContact CZ3-CB 4.48Å; W440-R444 WeakPolarHBondContact O-CB 3.02Å; W440-R444 PolarHBondContact O-N 2.91Å; L441-R444 PolarHBondContact O-N 2.99Å; V442-R444 PolarHBondContact O-N 2.21Å; R444-N446 VanDerWaalsContact C-N 3.28Å; R444-N446 PolarHBondContact O-N 2.7Å; R444-K447 PolarHBondContact O-N 2.77Å; R444-T448 PolarHBondContact O-N 2.7Å; R444-T448 PolarHBondContact O-OG1 3.37Å |
| 445 | I | 91.9 | Very high | 83.5 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 177.2 | -70.2 | 172 | 0 | 0 | 0 | 110 | A226 I229 L230 I266 M341 L441 V442 K447 T448 L449 | A226-I445 HydrophobicContact CB-CG2 3.9Å; I229-I445 HydrophobicContact CB-CD1 4.33Å; I229-I445 HydrophobicContact CG2-CD1 4.06Å; L230-I445 HydrophobicContact CD2-CD1 4.07Å; L230-I445 HydrophobicContact CG-CD1 4.31Å; I266-I445 HydrophobicContact CD1-CG2 4.02Å; M341-I445 HydrophobicContact CE-CB 3.79Å; M341-I445 HydrophobicContact CE-CG1 3.89Å; M341-I445 HydrophobicContact CE-CG2 3.24Å; L441-I445 WeakPolarHBondContact O-CG1 2.6Å; L441-I445 PolarHBondContact O-N 2.39Å; V442-I445 PolarHBondContact O-N 3.22Å; I445-K447 VanDerWaalsContact C-N 3.28Å; I445-K447 PolarHBondContact O-N 2.89Å; I445-T448 PolarHBondContact O-N 3.07Å; I445-L449 HydrophobicContact CG2-CD1 3.72Å; I445-L449 HydrophobicContact CG2-CG 4.17Å; I445-L449 VanDerWaalsContact O-CG 3.26Å; I445-L449 WeakPolarHBondContact O-CG 3.46Å; I445-L449 PolarHBondContact O-N 3.27Å |
| 446 | N | 91.3 | Very high | 82.4 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.3 | -34.8 | 179.1 | -80.4 | -25.2 | 0 | 0 | 0 | 111.5 | N265 I266 V442 A443 R444 T448 L449 D450 | N265-N446 PolarHBondContact OD1-ND2 2.56Å; N265-N446 PolarHBondContact OD1-OD1 3.21Å; I266-N446 PolarHBondContact N-OD1 3.09Å; I266-N446 PolarHBondContact O-ND2 3.46Å; V442-N446 WeakPolarHBondContact O-CB 2.8Å; V442-N446 PolarHBondContact O-N 3.27Å; V442-N446 PolarHBondContact O-ND2 3.13Å; A443-N446 PolarHBondContact O-N 3.1Å; R444-N446 VanDerWaalsContact C-N 3.28Å; R444-N446 PolarHBondContact O-N 2.7Å; N446-T448 PolarHBondContact O-N 2.89Å; N446-L449 PolarHBondContact O-N 2.97Å; N446-D450 WeakPolarHBondContact O-CB 3.32Å; N446-D450 PolarHBondContact O-N 2.54Å; N446-D450 VanDerWaalsContact O-N 3.08Å |
| 447 | K | 88.3 | Confident | 81.8 | Confident | 150 Ų | 150 | 68.2 Ų | 68.2 | 65% | 0.652 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.8 | -33.3 | 179 | -173.2 | 175.8 | 178.3 | 178.3 | 0 | 110.4 | A443 R444 I445 | A443-K447 PolarHBondContact O-N 2.34Å; R444-K447 PolarHBondContact O-N 2.77Å; I445-K447 VanDerWaalsContact C-N 3.28Å; I445-K447 PolarHBondContact O-N 2.89Å |
| 448 | T | 86.7 | Confident | 81.6 | Confident | 18 Ų | 18 | 68.8 Ų | 68.8 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -79.7 | -31.8 | -178.6 | -56 | 0 | 0 | 0 | 0 | 110.4 | M341 R444 I445 N446 D450 K451 | M341-T448 HydrophobicContact CE-CG2 4.49Å; M341-T448 VanDerWaalsContact O-CG2 3.25Å; M341-T448 WeakPolarHBondContact O-CG2 1.81Å; M341-T448 PolarHBondContact O-OG1 3.09Å; R444-T448 PolarHBondContact O-N 2.7Å; R444-T448 PolarHBondContact O-OG1 3.37Å; I445-T448 PolarHBondContact O-N 3.07Å; N446-T448 PolarHBondContact O-N 2.89Å; T448-D450 VanDerWaalsContact C-N 3.33Å; T448-D450 PolarHBondContact O-N 3.46Å; T448-K451 WeakPolarHBondContact O-CG 3.26Å |
| 449 | L | 86.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -79.8 | 0 | -177.1 | -68.9 | 177.1 | 0 | 0 | 0 | 110.8 | L219 Q222 L223 A264 I266 M341 I445 N446 K451 | L219-L449 HydrophobicContact CD1-CD2 4.21Å; L219-L449 WeakPolarHBondContact CD1-O 3Å; Q222-L449 HydrophobicContact CB-CD2 3.87Å; L223-L449 HydrophobicContact CB-CD2 4.35Å; L223-L449 HydrophobicContact CD1-CD1 4.18Å; L223-L449 HydrophobicContact CD1-CD2 4.47Å; A264-L449 HydrophobicContact CB-CB 4.19Å; A264-L449 HydrophobicContact CB-CD1 4.1Å; A264-L449 VanDerWaalsContact O-CB 3.23Å; A264-L449 WeakPolarHBondContact O-CB 2.94Å; I266-L449 HydrophobicContact CD1-CD1 4.14Å; I266-L449 HydrophobicContact CG1-CD1 4.37Å; M341-L449 HydrophobicContact CE-CD2 4.34Å; M341-L449 HydrophobicContact CE-CG 4.23Å; I445-L449 HydrophobicContact CG2-CD1 3.72Å; I445-L449 HydrophobicContact CG2-CG 4.17Å; I445-L449 VanDerWaalsContact O-CG 3.26Å; I445-L449 WeakPolarHBondContact O-CG 3.46Å; I445-L449 PolarHBondContact O-N 3.27Å; N446-L449 PolarHBondContact O-N 2.97Å; L449-K451 PolarHBondContact O-N 2.75Å |
| 450 | D | 79.2 | Confident | 81.7 | Confident | 97 Ų | 97 | 65.2 Ų | 65.2 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | 0 | 0 | 0 | -157.9 | 5.1 | 0 | 0 | 0 | 109.5 | N446 T448 T452 | N446-D450 WeakPolarHBondContact O-CB 3.32Å; N446-D450 PolarHBondContact O-N 2.54Å; N446-D450 VanDerWaalsContact O-N 3.08Å; T448-D450 VanDerWaalsContact C-N 3.33Å; T448-D450 PolarHBondContact O-N 3.46Å; D450-T452 PolarHBondContact O-N 2.8Å | |||
| 451 | K | 67.2 | Low | 81.7 | Confident | 114 Ų | 114 | 62.7 Ų | 62.7 | 50% | 0.496 | 32% | 0.316 | S | S | . | . | 0 | 0 | 0 | -76.9 | -171.4 | -178.9 | -176.6 | 0 | 110.6 | E218 T448 L449 | E218-K451 IonicContact OE1-NZ 3.72Å; E218-K451 PolarHBondContact OE1-NZ 2.31Å; E218-K451 IonicContact OE2-NZ 3.78Å; T448-K451 WeakPolarHBondContact O-CG 3.26Å; L449-K451 PolarHBondContact O-N 2.75Å | |||
| 452 | T | 61.3 | Low | 81.8 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 37% | 0.368 | 32% | 0.316 | S | S | . | . | 0 | 114.9 | 0 | 46.5 | 0 | 0 | 0 | 0 | 109.7 | A262 D450 R454 | A262-T452 WeakPolarHBondContact O-CB 2.96Å; A262-T452 WeakPolarHBondContact O-CG2 3.45Å; A262-T452 PolarHBondContact O-OG1 2.27Å; D450-T452 PolarHBondContact O-N 2.8Å; T452-R454 PolarHBondContact O-N 1.31Å | |||
| 453 | R | 56.9 | Low | 81.8 | Confident | 258 Ų | 258 | 62.4 Ų | 62.4 | 97% | 0.974 | 31% | 0.314 | S | S | * | . | trans | -55.5 | 0 | 177.6 | -77.8 | -172.5 | 173 | -167.5 | -0.3 | 110.8 | P455 | R453-P455 WeakPolarHBondContact O-CD 3.33Š| ||
| 454 | R | 62.3 | Low | 81.7 | Confident | 208 Ų | 208 | 59.7 Ų | 59.7 | 79% | 0.785 | 29% | 0.292 | S | S | * | . | S | Bend | 0 | 122.1 | 0 | -76.7 | -171.1 | -167.9 | -178.9 | -0.9 | 110.2 | T452 G456 | T452-R454 PolarHBondContact O-N 1.31Å; R454-G456 PolarHBondContact O-N 3.45Å | |
| 455 | P | 64.8 | Low | 81.3 | Confident | 123 Ų | 123 | 56.9 Ų | 56.9 | 80% | 0.799 | 28% | 0.282 | S | S | * | . | trans | -61.4 | 112.7 | 175.3 | 18 | -19.8 | 0 | 0 | 0 | 111.7 | R453 | R453-P455 WeakPolarHBondContact O-CD 3.33Š| ||
| 456 | G | 67.1 | Low | 80.6 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | trans | -41.5 | 0 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F255 R454 | F255-G456 CarbonylContact O-C 3.42Å; F255-G456 WeakPolarHBondContact O-CA 2.14Å; R454-G456 PolarHBondContact O-N 3.45Å | ||
| 457 | A | 78.6 | Confident | 79.7 | Confident | 69 Ų | 69 | 55.9 Ų | 55.9 | 57% | 0.57 | 28% | 0.278 | S | S | * | . | S | Bend | 0 | -32.5 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | F255 T257 | F255-A457 PolarHBondContact O-N 3.48Å; T257-A457 HydrophobicContact CG2-CB 3.78Å | |
| 458 | S | 88.4 | Confident | 79.4 | Confident | 13 Ų | 13 | 49 Ų | 49 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 154.7 | -179 | 52.9 | 0 | 0 | 0 | 0 | 109.8 | M164 D170 F255 | M164-S458 PolarHBondContact SD-OG 2.24Å; D170-S458 VanDerWaalsContact OD1-CA 3.24Å; D170-S458 WeakPolarHBondContact OD1-CA 2.97Å; F255-S458 PolarHBondContact N-O 3.28Å; F255-S458 PolarHBondContact O-N 2.54Å |
| 459 | F | 91.9 | Very high | 78.8 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 5% | 0.053 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 150.3 | 178.4 | 72.2 | -90.6 | 0 | 0 | 0 | 109.4 | D170 Q171 F250 R252 I253 N254 V666 T670 | D170-F459 WeakPolarHBondContact CA-O 3.43Å; D170-F459 HydrophobicContact CB-CD1 3.75Å; D170-F459 HydrophobicContact CB-CE1 3.45Å; D170-F459 VanDerWaalsContact CB-CE1 3.45Å; D170-F459 HydrophobicContact CB-CE2 4.31Å; D170-F459 HydrophobicContact CB-CG 4.31Å; D170-F459 HydrophobicContact CB-CZ 3.76Å; D170-F459 WeakPolarHBondContact OD1-CD1 3.19Å; D170-F459 PolarHBondContact OD1-N 3.37Å; D170-F459 WeakPolarHBondContact OD2-CD1 3.16Å; D170-F459 WeakPolarHBondContact OD2-CE1 1.61Å; Q171-F459 PolarHBondContact N-O 2.43Å; Q171-F459 VanDerWaalsContact N-O 3.15Å; F250-F459 HydrophobicContact CZ-CE2 4.49Å; R252-F459 HydrophobicContact CG-CB 3.77Å; R252-F459 HydrophobicContact CG-CD2 3.45Å; R252-F459 VanDerWaalsContact CG-CD2 3.45Å; R252-F459 HydrophobicContact CG-CE2 4.2Å; R252-F459 HydrophobicContact CG-CG 3.74Å; R252-F459 VanDerWaalsContact NH2-CD1 3.29Å; I253-F459 WeakPolarHBondContact O-CA 2.86Å; I253-F459 WeakPolarHBondContact O-CB 3.18Å; N254-F459 WeakPolarHBondContact OD1-CB 3.27Å; F459-V666 HydrophobicContact CZ-CG1 4.26Å; F459-T670 HydrophobicContact CE1-CG2 4.47Å; F459-T670 HydrophobicContact CE2-CG2 3.91Å; F459-T670 HydrophobicContact CZ-CG2 3.52Å |
| 460 | V | 93.9 | Very high | 78.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 0 | 169.5 | 174.9 | 0 | 0 | 0 | 0 | 108.6 | M164 Q171 I173 L194 I253 F255 | M164-V460 HydrophobicContact SD-CG2 3.6Å; Q171-V460 HydrophobicContact CB-CG2 4.27Å; Q171-V460 CarbonylContact O-C 3.3Å; Q171-V460 VanDerWaalsContact O-CA 3.23Å; Q171-V460 WeakPolarHBondContact O-CA 1.9Å; I173-V460 HydrophobicContact CD1-CG1 4.41Å; L194-V460 HydrophobicContact CD1-CG1 4.35Å; I253-V460 PolarHBondContact N-O 2.81Å; I253-V460 PolarHBondContact O-N 3.33Å; F255-V460 HydrophobicContact CD2-CG2 4.2Å; F255-V460 HydrophobicContact CE2-CB 3.8Å; F255-V460 HydrophobicContact CE2-CG2 3.45Å; F255-V460 VanDerWaalsContact CE2-CG2 3.45Å; F255-V460 HydrophobicContact CZ-CG2 4.21Å |
| 461 | G | 93.5 | Very high | 78.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q171 S172 I173 I251 | Q171-G461 PolarHBondContact O-N 2.96Å; S172-G461 CarbonylContact C-O 3.58Å; S172-G461 WeakPolarHBondContact CA-O 1.71Å; I173-G461 PolarHBondContact N-O 2.41Å; I251-G461 WeakPolarHBondContact O-CA 3.44Å | |
| 462 | I | 94.3 | Very high | 78.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 121.9 | 0 | -55.7 | 163.9 | 0 | 0 | 0 | 108.9 | I173 T187 V190 I191 L194 F250 I251 I253 | I173-I462 WeakPolarHBondContact O-CA 3.43Å; T187-I462 HydrophobicContact CG2-CB 4.43Å; T187-I462 HydrophobicContact CG2-CG2 3.37Å; V190-I462 HydrophobicContact CG1-CD1 3.8Å; V190-I462 HydrophobicContact CG1-CG1 4.36Å; I191-I462 HydrophobicContact CG1-CD1 3.71Å; L194-I462 HydrophobicContact CD1-CD1 4.39Å; F250-I462 WeakPolarHBondContact CA-O 3.47Å; I251-I462 HydrophobicContact CB-CB 4.46Å; I251-I462 PolarHBondContact N-O 2.64Å; I251-I462 PolarHBondContact O-N 3.41Å; I253-I462 HydrophobicContact CD1-CD1 4.07Å | |
| 463 | L | 92.6 | Very high | 79.4 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 0 | -175.5 | 177.2 | 68.2 | 0 | 0 | 0 | 109.4 | I173 L174 C175 F250 L488 L663 L667 | I173-L463 PolarHBondContact O-N 2.26Å; L174-L463 HydrophobicContact CD2-CD2 3.98Å; L174-L463 HydrophobicContact CG-CB 4.21Å; L174-L463 HydrophobicContact CG-CD2 4.15Å; C175-L463 PolarHBondContact N-O 2.22Å; F250-L463 HydrophobicContact CB-CD1 4.13Å; F250-L463 HydrophobicContact CD2-CB 4.02Å; F250-L463 HydrophobicContact CD2-CD1 4.02Å; L463-L488 HydrophobicContact CD2-CD1 3.99Å; L463-L488 HydrophobicContact CD2-CD2 3.5Å; L463-L488 VanDerWaalsContact CD2-CD2 3.5Å; L463-L488 HydrophobicContact CD2-CG 4.4Å; L463-L663 HydrophobicContact CD1-CD1 4.14Å; L463-L663 HydrophobicContact CD1-CD2 3.86Å; L463-L667 HydrophobicContact CD2-CD1 3.78Å |
| 464 | D | 88.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 103.2 | 0 | -179.8 | 9.8 | 0 | 0 | 0 | 110.1 | T184 K249 | T184-D464 PolarHBondContact OG1-OD2 3.3Å; T184-D464 VanDerWaalsContact OG1-OD2 3.04Å; K249-D464 HydrophobicContact CD-CB 4.07Å; K249-D464 WeakPolarHBondContact CE-OD2 3.29Å; K249-D464 HydrophobicContact CG-CB 3.46Å; K249-D464 VanDerWaalsContact CG-CB 3.46Å; K249-D464 PolarHBondContact N-O 2.5Å; K249-D464 IonicContact NZ-OD2 2.21Å; K249-D464 PolarHBondContact NZ-OD2 2.33Å; K249-D464 PolarHBondContact O-N 2.52Å | |
| 465 | I | 82.6 | Confident | 81.8 | Confident | 13 Ų | 13 | 32.8 Ų | 32.8 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | trans | -116.8 | 0 | -178.5 | -170.9 | 164.1 | 0 | 0 | 0 | 108.6 | K183 T484 L488 | K183-I465 WeakPolarHBondContact CE-O 2.34Å; I465-T484 VanDerWaalsContact CD1-CB 3.5Å; I465-T484 HydrophobicContact CD1-CG2 2.46Å; I465-T484 HydrophobicContact CG1-CG2 3.94Å; I465-L488 HydrophobicContact CB-CD1 4.22Å; I465-L488 HydrophobicContact CD1-CD1 3.99Å; I465-L488 HydrophobicContact CG2-CD1 3.34Å | ||
| 466 | A | 75.7 | Confident | 82.9 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | 0 | 142.8 | 0 | 0 | 0 | 0 | 0 | 0 | 111.5 | I481 N485 | A466-I481 HydrophobicContact CB-CG2 4.08Å; A466-N485 PolarHBondContact O-ND2 2.23Å; A466-N485 PolarHBondContact O-OD1 1.24Å | |
| 467 | G | 74.1 | Confident | 83.6 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 168.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G177 E469 I481 N485 | G177-G467 VanDerWaalsContact O-CA 3.24Å; G177-G467 WeakPolarHBondContact O-CA 2.36Å; G467-E469 PolarHBondContact O-N 3.38Å; G467-I481 WeakPolarHBondContact O-CG2 1.28Å; G467-N485 PolarHBondContact O-ND2 3.38Å |
| 468 | F | 80.3 | Confident | 83.9 | Confident | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 0 | 176.4 | -160.2 | -87.3 | 0 | 0 | 0 | 110.6 | I470 N482 N485 H580 Y581 A582 V585 | F468-I470 HydrophobicContact CD1-CD1 4.09Å; F468-I470 HydrophobicContact CD1-CG1 3.77Å; F468-I470 HydrophobicContact CE1-CD1 3.68Å; F468-I470 HydrophobicContact CE1-CG1 3.47Å; F468-I470 VanDerWaalsContact CE1-CG1 3.47Å; F468-N482 HydrophobicContact CD2-CB 4.25Å; F468-N482 HydrophobicContact CE2-CB 3.75Å; F468-N482 HydrophobicContact CZ-CB 4.15Å; F468-N485 WeakPolarHBondContact CA-ND2 3.43Å; F468-N485 HydrophobicContact CD2-CB 4.02Å; F468-N485 PolarHBondContact N-ND2 3.49Å; F468-N485 VanDerWaalsContact N-ND2 3.15Å; F468-H580 HydrophobicContact CE2-CB 3.73Å; F468-H580 AromaticContact CE2-CG 3.99Å; F468-H580 HydrophobicContact CZ-CB 3.42Å; F468-H580 VanDerWaalsContact CZ-CB 3.42Å; F468-H580 AromaticContact CZ-CG 3.69Å; F468-Y581 HydrophobicContact CD2-CD1 4.43Å; F468-Y581 AromaticContact CD2-CE1 3.62Å; F468-Y581 HydrophobicContact CD2-CE1 3.62Å; F468-Y581 HydrophobicContact CE2-CD1 4.29Å; F468-Y581 AromaticContact CE2-CE1 3.92Å; F468-Y581 HydrophobicContact CE2-CE1 3.92Å; F468-A582 HydrophobicContact CD1-CB 3.56Å; F468-A582 HydrophobicContact CD2-CB 4.12Å; F468-A582 HydrophobicContact CE1-CB 3.53Å; F468-A582 HydrophobicContact CE2-CB 4.1Å; F468-A582 HydrophobicContact CG-CB 3.87Å; F468-A582 HydrophobicContact CZ-CB 3.81Å; F468-V585 HydrophobicContact CE1-CG2 3.91Å; F468-V585 HydrophobicContact CZ-CG2 3.95Å |
| 469 | E | 75.8 | Confident | 84 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | 0 | 130.2 | 0 | -66.4 | 178.5 | 172.4 | 0 | 0 | 109.6 | R246 G467 F471 N482 | R246-E469 IonicContact CZ-OE1 3.77Å; R246-E469 IonicContact CZ-OE2 3.4Å; R246-E469 IonicContact NH1-OE1 3.96Å; R246-E469 PolarHBondContact NH1-OE1 3.43Å; R246-E469 IonicContact NH1-OE2 3.84Å; R246-E469 PolarHBondContact NH1-OE2 2.55Å; R246-E469 IonicContact NH2-OE2 3.78Å; G467-E469 PolarHBondContact O-N 3.38Å; E469-F471 HydrophobicContact CB-CD2 4.33Å; E469-F471 HydrophobicContact CB-CE1 4.5Å; E469-F471 HydrophobicContact CB-CE2 3.7Å; E469-F471 HydrophobicContact CB-CZ 3.79Å; E469-F471 HydrophobicContact CG-CE2 4.23Å; E469-F471 HydrophobicContact CG-CZ 4.01Å; E469-F471 WeakPolarHBondContact OE2-CE2 2.74Å; E469-F471 WeakPolarHBondContact OE2-CZ 1.41Å; E469-N482 PolarHBondContact N-OD1 2.38Å; E469-N482 PolarHBondContact O-ND2 3.47Å | |||
| 470 | I | 76.7 | Confident | 83.8 | Confident | 70 Ų | 70 | 23 Ų | 23 | 36% | 0.359 | 12% | 0.118 | S | C | . | . | trans | -122.4 | 0 | 173 | -57.6 | 173.9 | 0 | 0 | 0 | 108.1 | F468 V585 | F468-I470 HydrophobicContact CD1-CD1 4.09Å; F468-I470 HydrophobicContact CD1-CG1 3.77Å; F468-I470 HydrophobicContact CE1-CD1 3.68Å; F468-I470 HydrophobicContact CE1-CG1 3.47Å; F468-I470 VanDerWaalsContact CE1-CG1 3.47Å; I470-V585 HydrophobicContact CD1-CG2 4.28Å; I470-V585 HydrophobicContact CG1-CG2 3.97Å | ||
| 471 | F | 76.1 | Confident | 83.4 | Confident | 28 Ų | 28 | 23.4 Ų | 23.4 | 12% | 0.123 | 12% | 0.121 | C | C | . | . | 0 | 0 | 0 | -63.2 | -52.5 | 0 | 0 | 0 | 110.1 | E469 V473 N474 Q478 | E469-F471 HydrophobicContact CB-CD2 4.33Å; E469-F471 HydrophobicContact CB-CE1 4.5Å; E469-F471 HydrophobicContact CB-CE2 3.7Å; E469-F471 HydrophobicContact CB-CZ 3.79Å; E469-F471 HydrophobicContact CG-CE2 4.23Å; E469-F471 HydrophobicContact CG-CZ 4.01Å; E469-F471 WeakPolarHBondContact OE2-CE2 2.74Å; E469-F471 WeakPolarHBondContact OE2-CZ 1.41Å; F471-V473 VanDerWaalsContact C-N 3.26Å; F471-N474 PolarHBondContact N-OD1 2.77Å; F471-N474 PolarHBondContact O-ND2 2.58Å; F471-Q478 HydrophobicContact CD2-CG 3.79Å; F471-Q478 HydrophobicContact CE2-CG 4.05Å | |||
| 472 | Q | 75.4 | Confident | 83.1 | Confident | 204 Ų | 204 | 23.4 Ų | 23.4 | 95% | 0.953 | 12% | 0.121 | S | C | * | . | S | Bend | 0 | 0 | 0 | -75.3 | -179.4 | -1 | 0 | 0 | 111.3 | |||
| 473 | V | 78 | Confident | 83 | Confident | 96 Ų | 96 | 23.4 Ų | 23.4 | 58% | 0.582 | 12% | 0.121 | S | C | * | . | S | Bend | 0 | 108.2 | 0 | -180 | 0 | 0 | 0 | 0 | 108.5 | F471 N588 | F471-V473 VanDerWaalsContact C-N 3.26Å; V473-N588 HydrophobicContact CG1-CB 4.27Å | |
| 474 | N | 84.1 | Confident | 82.8 | Confident | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.027 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -101.4 | 115.3 | 179.6 | -63.2 | -70.3 | 0 | 0 | 0 | 110.7 | F471 Q478 V585 E586 Y587 N588 | F471-N474 PolarHBondContact N-OD1 2.77Å; F471-N474 PolarHBondContact O-ND2 2.58Å; N474-Q478 HydrophobicContact CB-CB 4.27Å; N474-V585 HydrophobicContact CB-CG1 4.07Å; N474-V585 WeakPolarHBondContact ND2-CG1 3.1Å; N474-E586 WeakPolarHBondContact CB-O 3.49Å; N474-E586 PolarHBondContact ND2-O 2.01Å; N474-Y587 HydrophobicContact CB-CD1 3.65Å; N474-Y587 HydrophobicContact CB-CE1 4.01Å; N474-Y587 HydrophobicContact CB-CG 4.46Å; N474-Y587 CarbonylContact O-C 3.56Å; N474-Y587 WeakPolarHBondContact O-CA 3.43Å; N474-N588 PolarHBondContact O-N 1.79Å |
| 475 | S | 86 | Confident | 82.7 | Confident | 13 Ų | 13 | 23.6 Ų | 23.6 | 9% | 0.091 | 12% | 0.121 | C | C | . | . | trans | -101.9 | -172.7 | -174.9 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | E477 Q478 L479 K595 | S475-E477 VanDerWaalsContact C-N 3.28Å; S475-E477 PolarHBondContact O-N 2.75Å; S475-E477 PolarHBondContact OG-OE2 2.24Å; S475-Q478 PolarHBondContact O-N 2.25Å; S475-L479 PolarHBondContact O-N 3.16Å; S475-K595 PolarHBondContact OG-NZ 2.21Å | ||
| 476 | F | 86.5 | Confident | 83.1 | Confident | 5 Ų | 5 | 23 Ų | 23 | 2% | 0.022 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54 | -37.1 | -176.8 | 175 | -117.8 | 0 | 0 | 0 | 110.9 | Q478 L479 C480 F534 L537 W592 K595 V652 | F476-Q478 VanDerWaalsContact C-N 3.35Å; F476-Q478 PolarHBondContact O-N 2.71Å; F476-L479 WeakPolarHBondContact O-CB 3.29Å; F476-L479 PolarHBondContact O-N 3.49Å; F476-C480 PolarHBondContact O-N 3.36Å; F476-C480 VanDerWaalsContact O-N 3.12Å; F476-F534 HydrophobicContact CE2-CE1 4.07Å; F476-L537 HydrophobicContact CD2-CD2 3.93Å; F476-L537 HydrophobicContact CE2-CD2 3.61Å; F476-L537 HydrophobicContact CZ-CD2 4.43Å; F476-W592 HydrophobicContact CB-CD2 4.21Å; F476-W592 HydrophobicContact CB-CG 4.15Å; F476-W592 HydrophobicContact CD2-CE3 4.43Å; F476-K595 HydrophobicContact CB-CD 4.27Å; F476-K595 HydrophobicContact CD1-CB 4.36Å; F476-V652 HydrophobicContact CE1-CB 4.25Å; F476-V652 HydrophobicContact CE1-CG1 3.98Å |
| 477 | E | 82.6 | Confident | 83.8 | Confident | 18 Ų | 18 | 23.6 Ų | 23.6 | 8% | 0.084 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.6 | -39.2 | -176.2 | -69.7 | 86.5 | -180 | 0 | 0 | 110.3 | E272 S475 L479 C480 I481 K595 | E272-E477 HydrophobicContact CG-CB 4.27Å; E272-E477 HydrophobicContact CG-CG 4.28Å; S475-E477 VanDerWaalsContact C-N 3.28Å; S475-E477 PolarHBondContact O-N 2.75Å; S475-E477 PolarHBondContact OG-OE2 2.24Å; E477-L479 VanDerWaalsContact C-N 3.26Å; E477-L479 PolarHBondContact O-N 3.15Å; E477-C480 WeakPolarHBondContact O-CB 2.46Å; E477-C480 PolarHBondContact O-N 2.33Å; E477-C480 VanDerWaalsContact O-N 3.17Å; E477-I481 VanDerWaalsContact O-CG1 3.27Å; E477-I481 WeakPolarHBondContact O-CG1 2.01Å; E477-I481 PolarHBondContact O-N 3.41Å; E477-K595 IonicContact OE2-NZ 3.63Å |
| 478 | Q | 85.1 | Confident | 84.5 | Confident | 12 Ų | 12 | 23.7 Ų | 23.7 | 6% | 0.056 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67 | 0 | 179.1 | -83.1 | 74.9 | 40 | 0 | 0 | 111.2 | E272 F471 N474 S475 F476 C480 I481 N482 Y587 | E272-Q478 PolarHBondContact OE1-NE2 3Å; F471-Q478 HydrophobicContact CD2-CG 3.79Å; F471-Q478 HydrophobicContact CE2-CG 4.05Å; N474-Q478 HydrophobicContact CB-CB 4.27Å; S475-Q478 PolarHBondContact O-N 2.25Å; F476-Q478 VanDerWaalsContact C-N 3.35Å; F476-Q478 PolarHBondContact O-N 2.71Å; Q478-C480 VanDerWaalsContact C-N 3.32Å; Q478-I481 PolarHBondContact O-N 3.24Å; Q478-N482 WeakPolarHBondContact O-CB 2.76Å; Q478-N482 PolarHBondContact O-N 3.33Å; Q478-N482 PolarHBondContact O-ND2 3.2Å; Q478-Y587 HydrophobicContact CB-CE1 4.41Å |
| 479 | L | 89.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | 0 | 0 | 0 | 177.2 | 67.5 | 0 | 0 | 0 | 111.2 | S475 F476 E477 I481 N482 Y483 I527 I533 F534 Y587 W592 | S475-L479 PolarHBondContact O-N 3.16Å; F476-L479 WeakPolarHBondContact O-CB 3.29Å; F476-L479 PolarHBondContact O-N 3.49Å; E477-L479 VanDerWaalsContact C-N 3.26Å; E477-L479 PolarHBondContact O-N 3.15Å; L479-I481 VanDerWaalsContact C-N 3.34Å; L479-I481 PolarHBondContact O-N 2.49Å; L479-N482 PolarHBondContact O-N 2.58Å; L479-Y483 WeakPolarHBondContact O-CB 3.06Å; L479-Y483 PolarHBondContact O-N 2.68Å; L479-I527 HydrophobicContact CD1-CD1 4.35Å; L479-I533 HydrophobicContact CD2-CG2 4Å; L479-F534 HydrophobicContact CD2-CE1 3.99Å; L479-Y587 VanDerWaalsContact CA-CE1 3.44Å; L479-Y587 HydrophobicContact CB-CD1 3.97Å; L479-Y587 HydrophobicContact CB-CE1 3.6Å; L479-Y587 HydrophobicContact CD1-CD1 4.43Å; L479-Y587 HydrophobicContact CD1-CD2 4.11Å; L479-Y587 HydrophobicContact CD1-CE1 3.91Å; L479-Y587 HydrophobicContact CD1-CE2 3.54Å; L479-Y587 VanDerWaalsContact CD1-CZ 3.41Å; L479-Y587 HydrophobicContact CG-CE1 4.41Å; L479-W592 HydrophobicContact CB-CH2 4.41Å; L479-W592 HydrophobicContact CD2-CH2 3.57Å; L479-W592 HydrophobicContact CD2-CZ3 3.7Å | |
| 480 | C | 88.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | 0 | -38.6 | 0 | -70 | 0 | 0 | 0 | 0 | 110.4 | L270 F476 E477 Q478 Y483 T484 Y656 | L270-C480 HydrophobicContact CD1-CB 4.4Å; L270-C480 HydrophobicContact CD2-CB 3.57Å; F476-C480 PolarHBondContact O-N 3.36Å; F476-C480 VanDerWaalsContact O-N 3.12Å; E477-C480 WeakPolarHBondContact O-CB 2.46Å; E477-C480 PolarHBondContact O-N 2.33Å; E477-C480 VanDerWaalsContact O-N 3.17Å; Q478-C480 VanDerWaalsContact C-N 3.32Å; C480-Y483 PolarHBondContact O-N 2.08Å; C480-T484 PolarHBondContact O-N 2.55Å; C480-T484 VanDerWaalsContact O-N 3.07Å; C480-T484 PolarHBondContact O-OG1 3.41Å; C480-Y656 HydrophobicContact CB-CD1 3.98Å; C480-Y656 HydrophobicContact CB-CE1 3.59Å; C480-Y656 WeakPolarHBondContact O-CE1 2.98Å; C480-Y656 PolarHBondContact O-OH 3.09Å | |
| 481 | I | 85 | Confident | 86.2 | Confident | 10 Ų | 10 | 21.4 Ų | 21.4 | 5% | 0.051 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.8 | -47.4 | -179.9 | -70.6 | 173.6 | 0 | 0 | 0 | 109.2 | L270 A466 G467 E477 Q478 L479 Y483 T484 N485 | L270-I481 HydrophobicContact CD2-CG1 4Å; A466-I481 HydrophobicContact CB-CG2 4.08Å; G467-I481 WeakPolarHBondContact O-CG2 1.28Å; E477-I481 VanDerWaalsContact O-CG1 3.27Å; E477-I481 WeakPolarHBondContact O-CG1 2.01Å; E477-I481 PolarHBondContact O-N 3.41Å; Q478-I481 PolarHBondContact O-N 3.24Å; L479-I481 VanDerWaalsContact C-N 3.34Å; L479-I481 PolarHBondContact O-N 2.49Å; I481-Y483 VanDerWaalsContact C-N 3.29Å; I481-Y483 PolarHBondContact O-N 3.02Å; I481-T484 WeakPolarHBondContact O-CB 3.12Å; I481-T484 PolarHBondContact O-N 2.17Å; I481-N485 PolarHBondContact O-N 3.22Å; I481-N485 PolarHBondContact O-ND2 2.83Å; I481-N485 VanDerWaalsContact O-ND2 3.11Å |
| 482 | N | 88.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | 179.2 | -68.5 | -19.9 | 0 | 0 | 0 | 112 | F468 E469 Q478 L479 T484 N485 E486 Y587 | F468-N482 HydrophobicContact CD2-CB 4.25Å; F468-N482 HydrophobicContact CE2-CB 3.75Å; F468-N482 HydrophobicContact CZ-CB 4.15Å; E469-N482 PolarHBondContact N-OD1 2.38Å; E469-N482 PolarHBondContact O-ND2 3.47Å; Q478-N482 WeakPolarHBondContact O-CB 2.76Å; Q478-N482 PolarHBondContact O-N 3.33Å; Q478-N482 PolarHBondContact O-ND2 3.2Å; L479-N482 PolarHBondContact O-N 2.58Å; N482-T484 VanDerWaalsContact C-N 3.34Å; N482-N485 PolarHBondContact O-N 2.13Å; N482-E486 WeakPolarHBondContact O-CB 2.74Å; N482-E486 PolarHBondContact O-N 1.65Å; N482-Y587 WeakPolarHBondContact CB-OH 2.15Å; N482-Y587 PolarHBondContact ND2-OH 1.75Å |
| 483 | Y | 90.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -58.8 | -45.2 | 175.1 | 165.6 | -116.8 | 0 | 0 | 0 | 110.7 | L479 C480 I481 E486 K487 I524 I527 E528 F534 Y656 L660 | L479-Y483 WeakPolarHBondContact O-CB 3.06Å; L479-Y483 PolarHBondContact O-N 2.68Å; C480-Y483 PolarHBondContact O-N 2.08Å; I481-Y483 VanDerWaalsContact C-N 3.29Å; I481-Y483 PolarHBondContact O-N 3.02Å; Y483-E486 WeakPolarHBondContact O-CB 2.43Å; Y483-E486 PolarHBondContact O-N 2.26Å; Y483-K487 HydrophobicContact CD2-CG 4.46Å; Y483-K487 HydrophobicContact CE1-CD 4.1Å; Y483-K487 HydrophobicContact CE2-CD 4Å; Y483-K487 HydrophobicContact CE2-CG 3.91Å; Y483-K487 PolarHBondContact O-N 3.5Å; Y483-K487 WeakPolarHBondContact OH-CD 2.7Å; Y483-K487 WeakPolarHBondContact OH-CE 2.73Å; Y483-K487 PolarHBondContact OH-NZ 1.86Å; Y483-I524 HydrophobicContact CE2-CG2 4.02Å; Y483-I527 HydrophobicContact CD2-CB 4.1Å; Y483-I527 HydrophobicContact CD2-CD1 3.9Å; Y483-I527 HydrophobicContact CD2-CG2 3.82Å; Y483-I527 HydrophobicContact CE2-CB 4.4Å; Y483-I527 HydrophobicContact CE2-CG2 4.22Å; Y483-I527 HydrophobicContact CG-CD1 4.45Å; Y483-I527 HydrophobicContact CG-CG2 4.18Å; Y483-E528 HydrophobicContact CE2-CB 4.34Å; Y483-E528 PolarHBondContact OH-OE2 2.32Å; Y483-F534 HydrophobicContact CD1-CE2 4.04Å; Y483-F534 HydrophobicContact CD1-CZ 4.39Å; Y483-F534 HydrophobicContact CE1-CE2 4.12Å; Y483-Y656 HydrophobicContact CD1-CD1 4.5Å; Y483-Y656 AromaticContact CD1-CE1 3.88Å; Y483-Y656 HydrophobicContact CD1-CE1 3.88Å; Y483-Y656 HydrophobicContact CE1-CE1 4.43Å; Y483-L660 HydrophobicContact CD1-CD2 3.59Å; Y483-L660 HydrophobicContact CE1-CD2 3.08Å; Y483-L660 HydrophobicContact CE1-CG 4.49Å |
| 484 | T | 89.1 | Confident | 87.7 | Confident | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.006 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 178.1 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | I465 C480 I481 N482 E486 K487 L488 Y656 L660 | I465-T484 VanDerWaalsContact CD1-CB 3.5Å; I465-T484 HydrophobicContact CD1-CG2 2.46Å; I465-T484 HydrophobicContact CG1-CG2 3.94Å; C480-T484 PolarHBondContact O-N 2.55Å; C480-T484 VanDerWaalsContact O-N 3.07Å; C480-T484 PolarHBondContact O-OG1 3.41Å; I481-T484 WeakPolarHBondContact O-CB 3.12Å; I481-T484 PolarHBondContact O-N 2.17Å; N482-T484 VanDerWaalsContact C-N 3.34Å; T484-E486 PolarHBondContact O-N 1.64Å; T484-K487 PolarHBondContact O-N 2.18Å; T484-L488 HydrophobicContact CG2-CD1 4.21Å; T484-L488 HydrophobicContact CG2-CG 4.44Å; T484-L488 WeakPolarHBondContact O-CG 3.2Å; T484-L488 PolarHBondContact O-N 3.4Å; T484-Y656 WeakPolarHBondContact CB-OH 3.43Å; T484-Y656 PolarHBondContact OG1-OH 2.66Å; T484-L660 HydrophobicContact CG2-CD1 3.69Å |
| 485 | N | 87.8 | Confident | 87.8 | Confident | 8 Ų | 8 | 10.2 Ų | 10.2 | 4% | 0.043 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.9 | -36.4 | 178.7 | -78.7 | -57.5 | 0 | 0 | 0 | 111.5 | A466 G467 F468 I481 N482 K487 L488 Q489 Y581 | A466-N485 PolarHBondContact O-ND2 2.23Å; A466-N485 PolarHBondContact O-OD1 1.24Å; G467-N485 PolarHBondContact O-ND2 3.38Å; F468-N485 WeakPolarHBondContact CA-ND2 3.43Å; F468-N485 HydrophobicContact CD2-CB 4.02Å; F468-N485 PolarHBondContact N-ND2 3.49Å; F468-N485 VanDerWaalsContact N-ND2 3.15Å; I481-N485 PolarHBondContact O-N 3.22Å; I481-N485 PolarHBondContact O-ND2 2.83Å; I481-N485 VanDerWaalsContact O-ND2 3.11Å; N482-N485 PolarHBondContact O-N 2.13Å; N485-K487 VanDerWaalsContact C-N 3.3Å; N485-L488 PolarHBondContact O-N 3.33Å; N485-Q489 VanDerWaalsContact O-CB 3.31Å; N485-Q489 WeakPolarHBondContact O-CB 1.41Å; N485-Q489 PolarHBondContact O-N 3.37Å; N485-Y581 HydrophobicContact CB-CE1 4.27Å |
| 486 | E | 89.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.1 | -39.6 | 176.7 | -166.1 | 76.4 | -164.8 | 0 | 0 | 111.5 | N482 Y483 T484 Q489 Q490 L520 T523 I524 H580 Y581 | N482-E486 WeakPolarHBondContact O-CB 2.74Å; N482-E486 PolarHBondContact O-N 1.65Å; Y483-E486 WeakPolarHBondContact O-CB 2.43Å; Y483-E486 PolarHBondContact O-N 2.26Å; T484-E486 PolarHBondContact O-N 1.64Å; E486-Q489 PolarHBondContact O-N 1.81Å; E486-Q490 WeakPolarHBondContact O-CB 2.01Å; E486-Q490 PolarHBondContact O-N 3.37Å; E486-L520 HydrophobicContact CG-CB 4.16Å; E486-L520 HydrophobicContact CG-CD1 4.31Å; E486-L520 WeakPolarHBondContact OE1-CB 2.71Å; E486-L520 VanDerWaalsContact OE1-CD1 3.27Å; E486-L520 WeakPolarHBondContact OE1-CD1 3.31Å; E486-L520 WeakPolarHBondContact OE1-CD2 1.87Å; E486-L520 VanDerWaalsContact OE1-CG 3.29Å; E486-L520 WeakPolarHBondContact OE1-CG 2.41Å; E486-T523 HydrophobicContact CG-CG2 4.33Å; E486-I524 HydrophobicContact CB-CG1 4.41Å; E486-I524 HydrophobicContact CG-CD1 4.41Å; E486-I524 HydrophobicContact CG-CG1 3.77Å; E486-H580 IonicContact OE2-ND1 3.88Å; E486-Y581 WeakPolarHBondContact OE2-CD1 2.89Å; E486-Y581 PolarHBondContact OE2-N 1.7Å |
| 487 | K | 90.3 | Very high | 87.4 | Confident | 20 Ų | 20 | 10.3 Ų | 10.3 | 9% | 0.087 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -69.3 | -41 | 179 | -82.5 | -160.1 | 169.1 | -163 | 0 | 110.8 | Y483 T484 N485 Q489 Q490 L491 I524 E528 L660 M664 | Y483-K487 HydrophobicContact CD2-CG 4.46Å; Y483-K487 HydrophobicContact CE1-CD 4.1Å; Y483-K487 HydrophobicContact CE2-CD 4Å; Y483-K487 HydrophobicContact CE2-CG 3.91Å; Y483-K487 PolarHBondContact O-N 3.5Å; Y483-K487 WeakPolarHBondContact OH-CD 2.7Å; Y483-K487 WeakPolarHBondContact OH-CE 2.73Å; Y483-K487 PolarHBondContact OH-NZ 1.86Å; T484-K487 PolarHBondContact O-N 2.18Å; N485-K487 VanDerWaalsContact C-N 3.3Å; K487-Q489 VanDerWaalsContact C-N 3.26Å; K487-Q489 PolarHBondContact O-N 3.13Å; K487-Q490 WeakPolarHBondContact O-CB 3.13Å; K487-Q490 PolarHBondContact O-N 3.24Å; K487-L491 PolarHBondContact O-N 3.42Å; K487-I524 HydrophobicContact CG-CD1 4.02Å; K487-I524 HydrophobicContact CG-CG1 4.34Å; K487-I524 HydrophobicContact CG-CG2 4.29Å; K487-E528 WeakPolarHBondContact CE-OE2 3.3Å; K487-E528 IonicContact NZ-OE2 3.38Å; K487-E528 PolarHBondContact NZ-OE2 3.36Å; K487-L660 HydrophobicContact CD-CD2 3.36Å; K487-L660 HydrophobicContact CD-CG 3.93Å; K487-L660 HydrophobicContact CG-CD2 4.26Å; K487-M664 HydrophobicContact CD-CG 4.42Å |
| 488 | L | 88.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 12 Ų | 12 | 2% | 0.016 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66 | -38 | 179.8 | -73 | 175.5 | 0 | 0 | 0 | 110.4 | L174 L463 I465 T484 N485 Q490 L491 F492 M664 L667 | L174-L488 HydrophobicContact CD2-CD2 4.27Å; L463-L488 HydrophobicContact CD2-CD1 3.99Å; L463-L488 HydrophobicContact CD2-CD2 3.5Å; L463-L488 VanDerWaalsContact CD2-CD2 3.5Å; L463-L488 HydrophobicContact CD2-CG 4.4Å; I465-L488 HydrophobicContact CB-CD1 4.22Å; I465-L488 HydrophobicContact CD1-CD1 3.99Å; I465-L488 HydrophobicContact CG2-CD1 3.34Å; T484-L488 HydrophobicContact CG2-CD1 4.21Å; T484-L488 HydrophobicContact CG2-CG 4.44Å; T484-L488 WeakPolarHBondContact O-CG 3.2Å; T484-L488 PolarHBondContact O-N 3.4Å; N485-L488 PolarHBondContact O-N 3.33Å; L488-Q490 VanDerWaalsContact C-N 3.3Å; L488-L491 VanDerWaalsContact O-CB 3.32Å; L488-L491 WeakPolarHBondContact O-CB 2.81Å; L488-L491 PolarHBondContact O-N 1.18Å; L488-F492 PolarHBondContact O-N 1.55Å; L488-M664 HydrophobicContact CD2-SD 4.15Å; L488-L667 HydrophobicContact CD2-CD1 3.96Å |
| 489 | Q | 88.6 | Confident | 87.6 | Confident | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.009 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | 176.8 | -178.1 | 60.4 | 36.9 | 0 | 0 | 111.3 | N485 E486 K487 L491 F492 N493 L520 Y581 R676 N701 | N485-Q489 VanDerWaalsContact O-CB 3.31Å; N485-Q489 WeakPolarHBondContact O-CB 1.41Å; N485-Q489 PolarHBondContact O-N 3.37Å; E486-Q489 PolarHBondContact O-N 1.81Å; K487-Q489 VanDerWaalsContact C-N 3.26Å; K487-Q489 PolarHBondContact O-N 3.13Å; Q489-L491 VanDerWaalsContact C-N 3.27Å; Q489-L491 PolarHBondContact O-N 2.07Å; Q489-F492 WeakPolarHBondContact O-CA 2.7Å; Q489-F492 WeakPolarHBondContact O-CB 2.78Å; Q489-F492 PolarHBondContact O-N 3.28Å; Q489-F492 VanDerWaalsContact O-N 3.09Å; Q489-N493 PolarHBondContact NE2-OD1 2.34Å; Q489-N493 PolarHBondContact O-N 3.4Å; Q489-L520 HydrophobicContact CB-CD1 3.61Å; Q489-L520 HydrophobicContact CG-CD1 3.37Å; Q489-Y581 HydrophobicContact CB-CE1 4.48Å; Q489-Y581 HydrophobicContact CG-CD2 4.16Å; Q489-Y581 HydrophobicContact CG-CE2 4.35Å; Q489-Y581 HydrophobicContact CG-CG 4.32Å; Q489-R676 VanDerWaalsContact OE1-NH1 3.16Å; Q489-N701 PolarHBondContact NE2-O 3.39Å |
| 490 | Q | 90 | Very high | 87.2 | Confident | 17 Ų | 17 | 16 Ų | 16 | 8% | 0.079 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.6 | -37.6 | 176 | -179 | 63.4 | 15.9 | 0 | 0 | 111 | E486 K487 L488 F492 N493 H494 D519 L520 I524 | E486-Q490 WeakPolarHBondContact O-CB 2.01Å; E486-Q490 PolarHBondContact O-N 3.37Å; K487-Q490 WeakPolarHBondContact O-CB 3.13Å; K487-Q490 PolarHBondContact O-N 3.24Å; L488-Q490 VanDerWaalsContact C-N 3.3Å; Q490-F492 PolarHBondContact O-N 2.02Å; Q490-N493 CarbonylContact O-C 3.52Å; Q490-N493 PolarHBondContact O-N 3.05Å; Q490-N493 VanDerWaalsContact O-N 3.16Å; Q490-H494 WeakPolarHBondContact O-CB 2.87Å; Q490-H494 PolarHBondContact O-N 2.91Å; Q490-D519 PolarHBondContact NE2-OD1 2.16Å; Q490-L520 HydrophobicContact CB-CB 4.37Å; Q490-I524 HydrophobicContact CB-CD1 3.65Å; Q490-I524 HydrophobicContact CG-CD1 3.95Å |
| 491 | L | 89.6 | Confident | 87.1 | Confident | 8 Ų | 8 | 16.2 Ų | 16.2 | 4% | 0.042 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.1 | -40 | 176 | 176.6 | 64.7 | 0 | 0 | 0 | 110.2 | L174 K487 L488 Q489 H494 T495 M664 L667 K668 | L174-L491 HydrophobicContact CD2-CD2 4.03Å; K487-L491 PolarHBondContact O-N 3.42Å; L488-L491 VanDerWaalsContact O-CB 3.32Å; L488-L491 WeakPolarHBondContact O-CB 2.81Å; L488-L491 PolarHBondContact O-N 1.18Å; Q489-L491 VanDerWaalsContact C-N 3.27Å; Q489-L491 PolarHBondContact O-N 2.07Å; L491-H494 PolarHBondContact O-N 3.06Å; L491-T495 WeakPolarHBondContact O-CB 3.12Å; L491-T495 PolarHBondContact O-N 2.39Å; L491-T495 PolarHBondContact O-OG1 2.76Å; L491-M664 HydrophobicContact CB-CE 3.61Å; L491-M664 HydrophobicContact CD1-CE 3.99Å; L491-M664 HydrophobicContact CD2-CE 3.77Å; L491-M664 HydrophobicContact CG-CE 4Å; L491-L667 HydrophobicContact CD2-CB 3.92Å; L491-L667 HydrophobicContact CD2-CD1 3.94Å; L491-K668 HydrophobicContact CD1-CG 3.97Å |
| 492 | F | 88.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 176 | 171 | -98.3 | 0 | 0 | 0 | 110.8 | F120 L488 Q489 Q490 H494 T495 M496 F497 F674 R676 | F120-F492 HydrophobicContact CD1-CE2 4.25Å; F120-F492 HydrophobicContact CD1-CZ 4.4Å; F120-F492 HydrophobicContact CE1-CZ 4.23Å; F120-F492 HydrophobicContact CG-CE2 4.48Å; L488-F492 PolarHBondContact O-N 1.55Å; Q489-F492 WeakPolarHBondContact O-CA 2.7Å; Q489-F492 WeakPolarHBondContact O-CB 2.78Å; Q489-F492 PolarHBondContact O-N 3.28Å; Q489-F492 VanDerWaalsContact O-N 3.09Å; Q490-F492 PolarHBondContact O-N 2.02Å; F492-H494 VanDerWaalsContact C-N 3.26Å; F492-H494 PolarHBondContact O-N 2.96Å; F492-T495 PolarHBondContact O-N 3.36Å; F492-M496 HydrophobicContact CD2-CG 3.68Å; F492-M496 HydrophobicContact CE1-CG 4.32Å; F492-M496 HydrophobicContact CE2-CB 4.42Å; F492-M496 HydrophobicContact CE2-CG 3.38Å; F492-M496 HydrophobicContact CG-CG 4.27Å; F492-M496 HydrophobicContact CZ-CB 4.35Å; F492-M496 HydrophobicContact CZ-CG 3.74Å; F492-M496 WeakPolarHBondContact O-CB 3.06Å; F492-M496 WeakPolarHBondContact O-CG 3.05Å; F492-M496 PolarHBondContact O-N 3.29Å; F492-F497 HydrophobicContact CE1-CE2 4.33Å; F492-F497 HydrophobicContact CE1-CZ 4.33Å; F492-F674 HydrophobicContact CB-CE1 4.06Å; F492-F674 HydrophobicContact CB-CZ 4.25Å; F492-F674 HydrophobicContact CD2-CB 4.34Å; F492-F674 AromaticContact CD2-CD1 3.86Å; F492-F674 HydrophobicContact CD2-CD1 3.86Å; F492-F674 AromaticContact CD2-CD2 3.84Å; F492-F674 HydrophobicContact CD2-CD2 3.84Å; F492-F674 HydrophobicContact CD2-CE1 4.04Å; F492-F674 HydrophobicContact CD2-CE2 4.02Å; F492-F674 AromaticContact CD2-CG 3.75Å; F492-F674 HydrophobicContact CD2-CG 3.75Å; F492-F674 HydrophobicContact CD2-CZ 4.13Å; F492-F674 HydrophobicContact CE2-CB 4.43Å; F492-F674 HydrophobicContact CE2-CD2 4.26Å; F492-F674 HydrophobicContact CE2-CG 4.25Å; F492-R676 VanDerWaalsContact CD1-NH2 3.29Å |
| 493 | N | 87.1 | Confident | 87.1 | Confident | 8 Ų | 8 | 19.4 Ų | 19.4 | 4% | 0.043 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.3 | -39.4 | -179 | -68.6 | -17.7 | 0 | 0 | 0 | 111.7 | Q489 Q490 F497 L518 | Q489-N493 PolarHBondContact NE2-OD1 2.34Å; Q489-N493 PolarHBondContact O-N 3.4Å; Q490-N493 CarbonylContact O-C 3.52Å; Q490-N493 PolarHBondContact O-N 3.05Å; Q490-N493 VanDerWaalsContact O-N 3.16Å; N493-F497 HydrophobicContact CB-CD2 4.03Å; N493-F497 HydrophobicContact CB-CE2 4.36Å; N493-F497 WeakPolarHBondContact O-CB 3.37Å; N493-F497 VanDerWaalsContact O-CD2 3.24Å; N493-F497 WeakPolarHBondContact O-CD2 2.91Å; N493-F497 PolarHBondContact O-N 3.34Å; N493-L518 PolarHBondContact ND2-O 2.9Å |
| 494 | H | 86.5 | Confident | 87.1 | Confident | 63 Ų | 63 | 19.5 Ų | 19.5 | 29% | 0.292 | 10% | 0.099 | S | C | . | . | I | π-helix | trans | -66.7 | -45.8 | -179.1 | -179.1 | 74 | 0 | 0 | 0 | 110.7 | Q490 L491 F492 I498 L499 | Q490-H494 WeakPolarHBondContact O-CB 2.87Å; Q490-H494 PolarHBondContact O-N 2.91Å; L491-H494 PolarHBondContact O-N 3.06Å; F492-H494 VanDerWaalsContact C-N 3.26Å; F492-H494 PolarHBondContact O-N 2.96Å; H494-I498 HydrophobicContact CB-CD1 4.5Å; H494-I498 CarbonylContact O-C 3.48Å; H494-I498 WeakPolarHBondContact O-CB 3Å; H494-I498 PolarHBondContact O-N 3.33Å; H494-I498 VanDerWaalsContact O-N 3.07Å; H494-L499 PolarHBondContact O-N 2.22Å |
| 495 | T | 85.8 | Confident | 87 | Confident | 27 Ų | 27 | 24 Ų | 24 | 17% | 0.166 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -71.7 | -43.7 | -175.7 | -58.3 | 0 | 0 | 0 | 0 | 110 | L491 F492 L499 P672 F674 | L491-T495 WeakPolarHBondContact O-CB 3.12Å; L491-T495 PolarHBondContact O-N 2.39Å; L491-T495 PolarHBondContact O-OG1 2.76Å; F492-T495 PolarHBondContact O-N 3.36Å; T495-L499 HydrophobicContact CG2-CD1 4.39Å; T495-P672 HydrophobicContact CG2-CG 3.6Å; T495-F674 HydrophobicContact CG2-CE2 4.38Å |
| 496 | M | 81.4 | Confident | 87.1 | Confident | 11 Ų | 11 | 31.8 Ų | 31.8 | 5% | 0.054 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -78.6 | -31.6 | -172.5 | -77.9 | -55.5 | -65.6 | 0 | 0 | 110.7 | L119 F120 F492 E500 F674 I709 | L119-M496 HydrophobicContact CB-CE 3.96Å; L119-M496 HydrophobicContact CB-SD 4.29Å; L119-M496 HydrophobicContact CD1-CE 3.64Å; L119-M496 HydrophobicContact CD1-SD 4Å; L119-M496 HydrophobicContact CG-CE 4.3Å; F120-M496 HydrophobicContact CD1-CE 4.11Å; F120-M496 HydrophobicContact CE1-CE 4.38Å; F492-M496 HydrophobicContact CD2-CG 3.68Å; F492-M496 HydrophobicContact CE1-CG 4.32Å; F492-M496 HydrophobicContact CE2-CB 4.42Å; F492-M496 HydrophobicContact CE2-CG 3.38Å; F492-M496 HydrophobicContact CG-CG 4.27Å; F492-M496 HydrophobicContact CZ-CB 4.35Å; F492-M496 HydrophobicContact CZ-CG 3.74Å; F492-M496 WeakPolarHBondContact O-CB 3.06Å; F492-M496 WeakPolarHBondContact O-CG 3.05Å; F492-M496 PolarHBondContact O-N 3.29Å; M496-E500 WeakPolarHBondContact O-CB 3.34Å; M496-F674 HydrophobicContact CG-CE2 4.46Å; M496-I709 HydrophobicContact CE-CG2 4.34Å |
| 497 | F | 83.4 | Confident | 87.2 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -112.2 | -51.1 | -171.7 | -58.6 | -51.5 | 0 | 0 | 0 | 110.1 | F492 N493 Q501 F516 L518 E705 I709 | F492-F497 HydrophobicContact CE1-CE2 4.33Å; F492-F497 HydrophobicContact CE1-CZ 4.33Å; N493-F497 HydrophobicContact CB-CD2 4.03Å; N493-F497 HydrophobicContact CB-CE2 4.36Å; N493-F497 WeakPolarHBondContact O-CB 3.37Å; N493-F497 VanDerWaalsContact O-CD2 3.24Å; N493-F497 WeakPolarHBondContact O-CD2 2.91Å; N493-F497 PolarHBondContact O-N 3.34Å; F497-Q501 WeakPolarHBondContact O-CB 3.32Å; F497-Q501 WeakPolarHBondContact O-CG 3.04Å; F497-Q501 PolarHBondContact O-N 3.45Å; F497-Q501 VanDerWaalsContact O-N 3.16Å; F497-Q501 PolarHBondContact O-NE2 2.55Å; F497-F516 HydrophobicContact CB-CD2 4.2Å; F497-F516 AromaticContact CD1-CD2 3.75Å; F497-F516 HydrophobicContact CD1-CD2 3.75Å; F497-F516 AromaticContact CD1-CE2 3.8Å; F497-F516 HydrophobicContact CD1-CE2 3.8Å; F497-F516 HydrophobicContact CD1-CG 4.5Å; F497-F516 HydrophobicContact CE1-CD2 4.29Å; F497-F516 HydrophobicContact CE1-CE2 4.35Å; F497-F516 AromaticContact CG-CD2 3.98Å; F497-F516 HydrophobicContact CG-CD2 3.98Å; F497-F516 HydrophobicContact CG-CE2 4.41Å; F497-L518 HydrophobicContact CE2-CD1 3.9Å; F497-L518 HydrophobicContact CZ-CD1 4.29Å; F497-E705 HydrophobicContact CE1-CB 4.03Å; F497-E705 WeakPolarHBondContact CE1-O 3.09Å; F497-E705 HydrophobicContact CE2-CB 4.44Å; F497-E705 HydrophobicContact CZ-CB 3.61Å; F497-I709 HydrophobicContact CD1-CB 4.03Å; F497-I709 HydrophobicContact CD1-CG1 4.38Å; F497-I709 HydrophobicContact CD1-CG2 3.99Å; F497-I709 HydrophobicContact CE1-CB 4.13Å; F497-I709 HydrophobicContact CE1-CG2 3.84Å |
| 498 | I | 85.1 | Confident | 87.1 | Confident | 53 Ų | 53 | 33.6 Ų | 33.6 | 27% | 0.272 | 18% | 0.176 | S | C | . | . | I | π-helix | trans | -78.9 | -48 | -169.2 | -65 | 175.4 | 0 | 0 | 0 | 109.2 | H494 E500 Q501 D502 | H494-I498 HydrophobicContact CB-CD1 4.5Å; H494-I498 CarbonylContact O-C 3.48Å; H494-I498 WeakPolarHBondContact O-CB 3Å; H494-I498 PolarHBondContact O-N 3.33Å; H494-I498 VanDerWaalsContact O-N 3.07Å; I498-E500 VanDerWaalsContact C-N 3.26Å; I498-E500 PolarHBondContact O-N 3.37Å; I498-Q501 PolarHBondContact O-N 1.95Å; I498-D502 VanDerWaalsContact O-CB 3.28Å; I498-D502 WeakPolarHBondContact O-CB 3.11Å; I498-D502 PolarHBondContact O-N 3.1Å |
| 499 | L | 85.2 | Confident | 87 | Confident | 75 Ų | 75 | 33.9 Ų | 33.9 | 39% | 0.393 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -67.1 | 0 | -176.2 | -78.6 | 178.9 | 0 | 0 | 0 | 110 | H494 T495 D502 E503 | H494-L499 PolarHBondContact O-N 2.22Å; T495-L499 HydrophobicContact CG2-CD1 4.39Å; L499-D502 PolarHBondContact O-N 2.08Å; L499-E503 WeakPolarHBondContact O-CB 3.31Å; L499-E503 PolarHBondContact O-N 3.21Å |
| 500 | E | 82.3 | Confident | 86.8 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | H | α-helix | 0 | -42.8 | 0 | -173.6 | 68.7 | -159.3 | 0 | 0 | 111.1 | M496 I498 E503 Y504 | M496-E500 WeakPolarHBondContact O-CB 3.34Å; I498-E500 VanDerWaalsContact C-N 3.26Å; I498-E500 PolarHBondContact O-N 3.37Å; E500-E503 WeakPolarHBondContact O-CB 3.04Å; E500-E503 PolarHBondContact O-N 2.08Å; E500-Y504 HydrophobicContact CG-CE1 4.44Å; E500-Y504 HydrophobicContact CG-CE2 3.93Å; E500-Y504 PolarHBondContact O-N 2.11Å; E500-Y504 PolarHBondContact OE1-OH 1.95Å | |
| 501 | Q | 87.2 | Confident | 86.6 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.8 | 0 | -179.4 | -68.9 | -173.5 | 65.1 | 0 | 0 | 111.3 | F497 I498 E503 Y504 T505 W511 F513 I514 I709 | F497-Q501 WeakPolarHBondContact O-CB 3.32Å; F497-Q501 WeakPolarHBondContact O-CG 3.04Å; F497-Q501 PolarHBondContact O-N 3.45Å; F497-Q501 VanDerWaalsContact O-N 3.16Å; F497-Q501 PolarHBondContact O-NE2 2.55Å; I498-Q501 PolarHBondContact O-N 1.95Å; Q501-E503 PolarHBondContact O-N 2.92Å; Q501-Y504 VanDerWaalsContact O-CB 3.26Å; Q501-Y504 WeakPolarHBondContact O-CB 2.7Å; Q501-Y504 PolarHBondContact O-N 3.46Å; Q501-T505 PolarHBondContact O-N 3.44Å; Q501-T505 PolarHBondContact O-OG1 2.18Å; Q501-W511 HydrophobicContact CG-CZ2 4.44Å; Q501-F513 HydrophobicContact CB-CD2 4.15Å; Q501-F513 HydrophobicContact CB-CE2 4.18Å; Q501-I514 PolarHBondContact NE2-O 3.35Å; Q501-I514 PolarHBondContact OE1-O 1.96Å; Q501-I709 HydrophobicContact CG-CD1 4.27Å |
| 502 | D | 86.2 | Confident | 86.2 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | H | α-helix | 0 | -34.4 | 0 | -78.5 | -6.7 | 0 | 0 | 0 | 110.5 | I498 L499 Y504 T505 R506 | I498-D502 VanDerWaalsContact O-CB 3.28Å; I498-D502 WeakPolarHBondContact O-CB 3.11Å; I498-D502 PolarHBondContact O-N 3.1Å; L499-D502 PolarHBondContact O-N 2.08Å; D502-Y504 VanDerWaalsContact C-N 3.29Å; D502-T505 PolarHBondContact O-N 3.14Å; D502-R506 WeakPolarHBondContact O-CB 3.31Å; D502-R506 PolarHBondContact O-N 1.89Å | |
| 503 | E | 86.2 | Confident | 86 | Confident | 14 Ų | 14 | 54.4 Ų | 54.4 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 177.9 | -174.5 | 70.2 | -165.5 | 0 | 0 | 110.7 | L499 E500 Q501 T505 R506 E507 R717 K766 F768 | L499-E503 WeakPolarHBondContact O-CB 3.31Å; L499-E503 PolarHBondContact O-N 3.21Å; E500-E503 WeakPolarHBondContact O-CB 3.04Å; E500-E503 PolarHBondContact O-N 2.08Å; Q501-E503 PolarHBondContact O-N 2.92Å; E503-T505 VanDerWaalsContact C-N 3.25Å; E503-T505 PolarHBondContact O-N 2.17Å; E503-R506 PolarHBondContact O-N 2.21Å; E503-R506 IonicContact OE2-NH1 3.88Å; E503-R506 PolarHBondContact OE2-NH1 3.42Å; E503-E507 HydrophobicContact CG-CG 4.42Å; E503-E507 WeakPolarHBondContact O-CB 2.23Å; E503-E507 WeakPolarHBondContact O-CG 2.4Å; E503-E507 PolarHBondContact O-N 2.42Å; E503-R717 VanDerWaalsContact CD-NH1 3.3Å; E503-R717 IonicContact OE1-NH1 3.57Å; E503-R717 IonicContact OE2-NH1 2.12Å; E503-K766 IonicContact OE1-NZ 3.75Å; E503-K766 PolarHBondContact OE1-NZ 2.92Å; E503-F768 HydrophobicContact CG-CE1 4.03Å; E503-F768 HydrophobicContact CG-CZ 4.02Å |
| 504 | Y | 89.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 177.3 | -67.2 | -21.5 | 0 | 0 | 0 | 111.4 | E500 Q501 D502 R506 E507 G508 I509 W511 F714 F768 | E500-Y504 HydrophobicContact CG-CE1 4.44Å; E500-Y504 HydrophobicContact CG-CE2 3.93Å; E500-Y504 PolarHBondContact O-N 2.11Å; E500-Y504 PolarHBondContact OE1-OH 1.95Å; Q501-Y504 VanDerWaalsContact O-CB 3.26Å; Q501-Y504 WeakPolarHBondContact O-CB 2.7Å; Q501-Y504 PolarHBondContact O-N 3.46Å; D502-Y504 VanDerWaalsContact C-N 3.29Å; Y504-R506 VanDerWaalsContact C-N 3.34Å; Y504-E507 PolarHBondContact O-N 2.64Å; Y504-G508 PolarHBondContact O-N 2.15Å; Y504-I509 VanDerWaalsContact C-CG1 3.47Å; Y504-I509 HydrophobicContact CD1-CD1 2.73Å; Y504-I509 HydrophobicContact CD1-CG1 4.03Å; Y504-I509 HydrophobicContact CD2-CD1 3.72Å; Y504-I509 HydrophobicContact CE1-CD1 3.63Å; Y504-I509 HydrophobicContact CE2-CD1 4.44Å; Y504-I509 HydrophobicContact CG-CD1 2.78Å; Y504-I509 HydrophobicContact CG-CG1 3.84Å; Y504-I509 WeakPolarHBondContact O-CG1 2.96Å; Y504-I509 PolarHBondContact O-N 1.99Å; Y504-I509 VanDerWaalsContact O-N 3.12Å; Y504-W511 HydrophobicContact CD2-CB 4.43Å; Y504-W511 AromaticContact CD2-CD1 3.89Å; Y504-W511 AromaticContact CD2-CD2 3.78Å; Y504-W511 HydrophobicContact CD2-CD2 3.78Å; Y504-W511 AromaticContact CD2-CE2 3.87Å; Y504-W511 HydrophobicContact CD2-CE3 4.37Å; Y504-W511 AromaticContact CD2-CG 3.8Å; Y504-W511 HydrophobicContact CD2-CG 3.8Å; Y504-W511 AromaticContact CD2-NE1 3.94Å; Y504-W511 HydrophobicContact CE2-CD2 4.29Å; Y504-W511 HydrophobicContact CE2-CZ2 4.47Å; Y504-W511 HydrophobicContact CG-CG 4.36Å; Y504-F714 HydrophobicContact CE1-CB 4.2Å; Y504-F714 WeakPolarHBondContact OH-CA 3.06Å; Y504-F714 PolarHBondContact OH-N 1.94Å; Y504-F714 PolarHBondContact OH-O 2.12Å; Y504-F768 AromaticContact CD1-CD1 3.89Å; Y504-F768 HydrophobicContact CD1-CD1 3.89Å; Y504-F768 AromaticContact CD1-CE1 3.7Å; Y504-F768 HydrophobicContact CD1-CE1 3.7Å; Y504-F768 HydrophobicContact CD1-CZ 4.35Å; Y504-F768 AromaticContact CE1-CD1 3.49Å; Y504-F768 HydrophobicContact CE1-CD1 3.49Å; Y504-F768 VanDerWaalsContact CE1-CD1 3.49Å; Y504-F768 AromaticContact CE1-CE1 3.64Å; Y504-F768 HydrophobicContact CE1-CE1 3.64Å; Y504-F768 HydrophobicContact CE1-CG 4.41Å |
| 505 | T | 88.4 | Confident | 85.1 | Confident | 97 Ų | 97 | 58.8 Ų | 58.8 | 60% | 0.595 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -69.8 | -38.7 | 179.8 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | Q501 D502 E503 E507 G508 | Q501-T505 PolarHBondContact O-N 3.44Å; Q501-T505 PolarHBondContact O-OG1 2.18Å; D502-T505 PolarHBondContact O-N 3.14Å; E503-T505 VanDerWaalsContact C-N 3.25Å; E503-T505 PolarHBondContact O-N 2.17Å; T505-E507 VanDerWaalsContact C-N 3.25Å; T505-E507 PolarHBondContact O-N 1.99Å; T505-G508 PolarHBondContact O-N 2.48Å; T505-G508 VanDerWaalsContact O-N 3.12Å |
| 506 | R | 89.8 | Confident | 84.5 | Confident | 171 Ų | 171 | 58.9 Ų | 58.9 | 65% | 0.645 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.8 | 0 | -179.1 | -169 | 179.9 | -59.5 | 159.2 | -0.4 | 110.4 | D502 E503 Y504 G508 | D502-R506 WeakPolarHBondContact O-CB 3.31Å; D502-R506 PolarHBondContact O-N 1.89Å; E503-R506 PolarHBondContact O-N 2.21Å; E503-R506 IonicContact OE2-NH1 3.88Å; E503-R506 PolarHBondContact OE2-NH1 3.42Å; Y504-R506 VanDerWaalsContact C-N 3.34Å; R506-G508 PolarHBondContact O-N 2.18Å |
| 507 | E | 91.3 | Very high | 83.8 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | H | α-helix | 0 | -2.8 | 0 | -72.6 | -64.7 | 141.6 | 0 | 0 | 110.4 | E503 Y504 T505 I509 G763 H764 S765 K766 F768 | E503-E507 HydrophobicContact CG-CG 4.42Å; E503-E507 WeakPolarHBondContact O-CB 2.23Å; E503-E507 WeakPolarHBondContact O-CG 2.4Å; E503-E507 PolarHBondContact O-N 2.42Å; Y504-E507 PolarHBondContact O-N 2.64Å; T505-E507 VanDerWaalsContact C-N 3.25Å; T505-E507 PolarHBondContact O-N 1.99Å; E507-I509 HydrophobicContact CB-CG2 4.17Å; E507-G763 CarbonylContact O-C 3.53Å; E507-G763 VanDerWaalsContact O-CA 3.29Å; E507-G763 WeakPolarHBondContact O-CA 3.1Å; E507-H764 PolarHBondContact O-CD2 3.25Å; E507-H764 PolarHBondContact O-N 1.81Å; E507-H764 PolarHBondContact OE2-N 3.14Å; E507-S765 PolarHBondContact OE1-OG 1.64Å; E507-S765 PolarHBondContact OE2-N 1.84Å; E507-S765 PolarHBondContact OE2-OG 3.12Å; E507-K766 PolarHBondContact OE2-N 1.92Å; E507-F768 HydrophobicContact CB-CE2 3.51Å; E507-F768 HydrophobicContact CB-CZ 3.71Å; E507-F768 HydrophobicContact CG-CE2 3.46Å; E507-F768 VanDerWaalsContact CG-CE2 3.46Å; E507-F768 HydrophobicContact CG-CZ 3.27Å | |
| 508 | G | 87.1 | Confident | 83.2 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 45% | 0.454 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 31.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y504 T505 R506 | Y504-G508 PolarHBondContact O-N 2.15Å; T505-G508 PolarHBondContact O-N 2.48Å; T505-G508 VanDerWaalsContact O-N 3.12Å; R506-G508 PolarHBondContact O-N 2.18Å |
| 509 | I | 88.6 | Confident | 83 | Confident | 10 Ų | 10 | 64.8 Ų | 64.8 | 5% | 0.051 | 35% | 0.349 | C | S | . | . | trans | -83 | 139.5 | 177.4 | 58.3 | 173.1 | 0 | 0 | 0 | 109.6 | Y504 E507 W511 C761 F768 | Y504-I509 VanDerWaalsContact C-CG1 3.47Å; Y504-I509 HydrophobicContact CD1-CD1 2.73Å; Y504-I509 HydrophobicContact CD1-CG1 4.03Å; Y504-I509 HydrophobicContact CD2-CD1 3.72Å; Y504-I509 HydrophobicContact CE1-CD1 3.63Å; Y504-I509 HydrophobicContact CE2-CD1 4.44Å; Y504-I509 HydrophobicContact CG-CD1 2.78Å; Y504-I509 HydrophobicContact CG-CG1 3.84Å; Y504-I509 WeakPolarHBondContact O-CG1 2.96Å; Y504-I509 PolarHBondContact O-N 1.99Å; Y504-I509 VanDerWaalsContact O-N 3.12Å; E507-I509 HydrophobicContact CB-CG2 4.17Å; I509-W511 VanDerWaalsContact C-N 3.31Å; I509-W511 HydrophobicContact CD1-CB 4.23Å; I509-W511 HydrophobicContact CG1-CB 4.02Å; I509-W511 PolarHBondContact O-N 2.89Å; I509-C761 HydrophobicContact CG2-CB 4.35Å; I509-F768 HydrophobicContact CG2-CD2 3.75Å; I509-F768 HydrophobicContact CG2-CE2 3.85Å | ||
| 510 | P | 84.1 | Confident | 83.1 | Confident | 117 Ų | 117 | 62.1 Ų | 62.1 | 76% | 0.76 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -60.2 | 0 | 177.6 | 20.2 | -21.9 | 0 | 0 | 0 | 111.7 | ||
| 511 | W | 84.6 | Confident | 83.5 | Confident | 50 Ų | 50 | 64 Ų | 64 | 19% | 0.189 | 34% | 0.344 | C | S | . | . | 0 | 130.6 | 0 | 173.6 | -102.6 | 0 | 0 | 0 | 109.2 | Q501 Y504 I509 I514 I709 R712 | Q501-W511 HydrophobicContact CG-CZ2 4.44Å; Y504-W511 HydrophobicContact CD2-CB 4.43Å; Y504-W511 AromaticContact CD2-CD1 3.89Å; Y504-W511 AromaticContact CD2-CD2 3.78Å; Y504-W511 HydrophobicContact CD2-CD2 3.78Å; Y504-W511 AromaticContact CD2-CE2 3.87Å; Y504-W511 HydrophobicContact CD2-CE3 4.37Å; Y504-W511 AromaticContact CD2-CG 3.8Å; Y504-W511 HydrophobicContact CD2-CG 3.8Å; Y504-W511 AromaticContact CD2-NE1 3.94Å; Y504-W511 HydrophobicContact CE2-CD2 4.29Å; Y504-W511 HydrophobicContact CE2-CZ2 4.47Å; Y504-W511 HydrophobicContact CG-CG 4.36Å; I509-W511 VanDerWaalsContact C-N 3.31Å; I509-W511 HydrophobicContact CD1-CB 4.23Å; I509-W511 HydrophobicContact CG1-CB 4.02Å; I509-W511 PolarHBondContact O-N 2.89Å; W511-I514 HydrophobicContact CH2-CD1 3.94Å; W511-I514 HydrophobicContact CZ2-CD1 3.79Å; W511-I514 HydrophobicContact CZ2-CG1 4.27Å; W511-I709 HydrophobicContact CH2-CD1 4.38Å; W511-I709 HydrophobicContact CZ2-CD1 3.96Å; W511-R712 HydrophobicContact CH2-CB 3.86Å; W511-R712 HydrophobicContact CZ3-CB 4.33Å; W511-R712 WeakPolarHBondContact CZ3-O 3.39Å | |||
| 512 | E | 82.4 | Confident | 83.6 | Confident | 167 Ų | 167 | 66.2 Ų | 66.2 | 78% | 0.78 | 36% | 0.358 | S | S | * | . | trans | -93 | 118.5 | 174.9 | -69.8 | -178.8 | -179.8 | 0 | 0 | 110.2 | I514 | E512-I514 WeakPolarHBondContact O-CG1 3.05Å; E512-I514 PolarHBondContact O-N 3.29Å; E512-I514 VanDerWaalsContact O-N 3.07Å | ||
| 513 | F | 82.7 | Confident | 83.8 | Confident | 123 Ų | 123 | 63.2 Ų | 63.2 | 54% | 0.539 | 34% | 0.342 | S | S | . | . | trans | -54.6 | 123 | -177.9 | -174.7 | -93.9 | 0 | 0 | 0 | 110.6 | Q501 D515 | Q501-F513 HydrophobicContact CB-CD2 4.15Å; Q501-F513 HydrophobicContact CB-CE2 4.18Å; F513-D515 HydrophobicContact CE1-CB 4.04Å | ||
| 514 | I | 78.5 | Confident | 84.1 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 20% | 0.2 | 34% | 0.341 | C | S | . | . | trans | -108.3 | 115.4 | 178.6 | -59.7 | 171.8 | 0 | 0 | 0 | 108.9 | Q501 W511 E512 F516 | Q501-I514 PolarHBondContact NE2-O 3.35Å; Q501-I514 PolarHBondContact OE1-O 1.96Å; W511-I514 HydrophobicContact CH2-CD1 3.94Å; W511-I514 HydrophobicContact CZ2-CD1 3.79Å; W511-I514 HydrophobicContact CZ2-CG1 4.27Å; E512-I514 WeakPolarHBondContact O-CG1 3.05Å; E512-I514 PolarHBondContact O-N 3.29Å; E512-I514 VanDerWaalsContact O-N 3.07Å; I514-F516 HydrophobicContact CB-CE2 4.43Å; I514-F516 HydrophobicContact CB-CZ 4.46Å; I514-F516 HydrophobicContact CG2-CE1 4.18Å; I514-F516 HydrophobicContact CG2-CE2 4.33Å; I514-F516 HydrophobicContact CG2-CZ 4.06Å | ||
| 515 | D | 77.3 | Confident | 84.1 | Confident | 124 Ų | 124 | 63.8 Ų | 63.8 | 66% | 0.663 | 35% | 0.346 | S | S | * | . | trans | -87.4 | 118 | 177.6 | -172.6 | 0.7 | 0 | 0 | 0 | 109.7 | F513 G517 | F513-D515 HydrophobicContact CE1-CB 4.04Å; D515-G517 VanDerWaalsContact C-N 3.28Å; D515-G517 PolarHBondContact OD1-N 2.6Å | ||
| 516 | F | 72.1 | Confident | 84.3 | Confident | 29 Ų | 29 | 59.2 Ų | 59.2 | 13% | 0.127 | 32% | 0.318 | C | S | . | . | trans | -89.6 | 0 | -176.2 | -71.6 | -79.8 | 0 | 0 | 0 | 110 | F497 I514 L518 E705 R708 I709 | F497-F516 HydrophobicContact CB-CD2 4.2Å; F497-F516 AromaticContact CD1-CD2 3.75Å; F497-F516 HydrophobicContact CD1-CD2 3.75Å; F497-F516 AromaticContact CD1-CE2 3.8Å; F497-F516 HydrophobicContact CD1-CE2 3.8Å; F497-F516 HydrophobicContact CD1-CG 4.5Å; F497-F516 HydrophobicContact CE1-CD2 4.29Å; F497-F516 HydrophobicContact CE1-CE2 4.35Å; F497-F516 AromaticContact CG-CD2 3.98Å; F497-F516 HydrophobicContact CG-CD2 3.98Å; F497-F516 HydrophobicContact CG-CE2 4.41Å; I514-F516 HydrophobicContact CB-CE2 4.43Å; I514-F516 HydrophobicContact CB-CZ 4.46Å; I514-F516 HydrophobicContact CG2-CE1 4.18Å; I514-F516 HydrophobicContact CG2-CE2 4.33Å; I514-F516 HydrophobicContact CG2-CZ 4.06Å; F516-L518 HydrophobicContact CB-CD1 4.17Å; F516-L518 HydrophobicContact CB-CG 4.34Å; F516-L518 WeakPolarHBondContact O-CG 3.33Å; F516-L518 PolarHBondContact O-N 3.37Å; F516-E705 HydrophobicContact CB-CG 4.29Å; F516-E705 HydrophobicContact CD1-CB 3.99Å; F516-E705 HydrophobicContact CD1-CG 3.87Å; F516-E705 HydrophobicContact CG-CB 4.39Å; F516-E705 HydrophobicContact CG-CG 4.4Å; F516-R708 HydrophobicContact CE1-CB 4.15Å; F516-R708 HydrophobicContact CE1-CG 4.28Å; F516-I709 HydrophobicContact CE2-CB 4.19Å; F516-I709 HydrophobicContact CE2-CD1 3.65Å; F516-I709 HydrophobicContact CE2-CG1 4.38Å; F516-I709 HydrophobicContact CZ-CB 4.01Å; F516-I709 HydrophobicContact CZ-CD1 3.84Å | ||
| 517 | G | 67.7 | Low | 84.4 | Confident | 60 Ų | 60 | 51.1 Ų | 51.1 | 62% | 0.619 | 29% | 0.287 | S | S | * | . | S | Bend | 0 | 23.3 | 0 | 0 | 0 | 0 | 0 | 0 | 111.6 | D515 D519 | D515-G517 VanDerWaalsContact C-N 3.28Å; D515-G517 PolarHBondContact OD1-N 2.6Å; G517-D519 VanDerWaalsContact C-N 3.27Å; G517-D519 PolarHBondContact O-N 3.28Å | |
| 518 | L | 71.3 | Confident | 84.2 | Confident | 49 Ų | 49 | 52 Ų | 52 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | trans | -108.3 | 37.3 | -175.4 | -69.4 | 171.5 | 0 | 0 | 0 | 109.6 | N493 F497 F516 L520 E705 | N493-L518 PolarHBondContact ND2-O 2.9Å; F497-L518 HydrophobicContact CE2-CD1 3.9Å; F497-L518 HydrophobicContact CZ-CD1 4.29Å; F516-L518 HydrophobicContact CB-CD1 4.17Å; F516-L518 HydrophobicContact CB-CG 4.34Å; F516-L518 WeakPolarHBondContact O-CG 3.33Å; F516-L518 PolarHBondContact O-N 3.37Å; L518-L520 PolarHBondContact O-N 2Å; L518-E705 HydrophobicContact CD1-CB 3.64Å; L518-E705 HydrophobicContact CD1-CG 3.48Å; L518-E705 VanDerWaalsContact CD1-CG 3.48Å; L518-E705 HydrophobicContact CG-CG 4.46Å | ||
| 519 | D | 80.8 | Confident | 84 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | trans | -85.2 | 0 | -179.8 | -171.7 | 11.6 | 0 | 0 | 0 | 109.9 | Q490 G517 Q521 P522 | Q490-D519 PolarHBondContact NE2-OD1 2.16Å; G517-D519 VanDerWaalsContact C-N 3.27Å; G517-D519 PolarHBondContact O-N 3.28Å; D519-Q521 VanDerWaalsContact C-N 3.33Å; D519-Q521 WeakPolarHBondContact OD1-CB 3.37Å; D519-Q521 PolarHBondContact OD1-N 3.44Å; D519-Q521 VanDerWaalsContact OD1-N 3.12Å; D519-P522 WeakPolarHBondContact O-CD 3.13Å | ||
| 520 | L | 87.8 | Confident | 83.1 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | 0 | 7.1 | 0 | -60.1 | 177.3 | 0 | 0 | 0 | 110.7 | E486 Q489 Q490 L518 P522 T523 I524 Y581 | E486-L520 HydrophobicContact CG-CB 4.16Å; E486-L520 HydrophobicContact CG-CD1 4.31Å; E486-L520 WeakPolarHBondContact OE1-CB 2.71Å; E486-L520 VanDerWaalsContact OE1-CD1 3.27Å; E486-L520 WeakPolarHBondContact OE1-CD1 3.31Å; E486-L520 WeakPolarHBondContact OE1-CD2 1.87Å; E486-L520 VanDerWaalsContact OE1-CG 3.29Å; E486-L520 WeakPolarHBondContact OE1-CG 2.41Å; Q489-L520 HydrophobicContact CB-CD1 3.61Å; Q489-L520 HydrophobicContact CG-CD1 3.37Å; Q490-L520 HydrophobicContact CB-CB 4.37Å; L518-L520 PolarHBondContact O-N 2Å; L520-P522 VanDerWaalsContact C-CD 3.4Å; L520-P522 VanDerWaalsContact C-N 3.29Å; L520-T523 PolarHBondContact O-N 3.49Å; L520-T523 VanDerWaalsContact O-N 3.17Å; L520-I524 WeakPolarHBondContact O-CG1 3.32Å; L520-I524 PolarHBondContact O-N 2.05Å; L520-I524 VanDerWaalsContact O-N 3.13Å; L520-Y581 HydrophobicContact CD1-CG 4.35Å | |||
| 521 | Q | 88.9 | Confident | 82.9 | Confident | 63 Ų | 63 | 61.7 Ų | 61.7 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.5 | -37 | -176.3 | -168.1 | 59.6 | 40.6 | 0 | 0 | 111.1 | D519 T523 I524 D525 | D519-Q521 VanDerWaalsContact C-N 3.33Å; D519-Q521 WeakPolarHBondContact OD1-CB 3.37Å; D519-Q521 PolarHBondContact OD1-N 3.44Å; D519-Q521 VanDerWaalsContact OD1-N 3.12Å; Q521-T523 PolarHBondContact O-N 2.1Å; Q521-I524 PolarHBondContact O-N 3.49Å; Q521-D525 PolarHBondContact NE2-OD1 2.34Å; Q521-D525 WeakPolarHBondContact O-CB 2.72Å; Q521-D525 PolarHBondContact O-N 3.45Å |
| 522 | P | 90.1 | Very high | 83.1 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 31% | 0.312 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 179.8 | -28.7 | 36.5 | 0 | 0 | 0 | 111.7 | D519 L520 D525 L526 H562 K564 | D519-P522 WeakPolarHBondContact O-CD 3.13Å; L520-P522 VanDerWaalsContact C-CD 3.4Å; L520-P522 VanDerWaalsContact C-N 3.29Å; P522-D525 PolarHBondContact O-N 2.17Å; P522-L526 PolarHBondContact O-N 3.22Å; P522-H562 PolarHBondContact O-CE1 2.44Å; P522-H562 PolarHBondContact O-NE2 3.19Å; P522-K564 HydrophobicContact CB-CG 4.48Å |
| 523 | T | 90.7 | Very high | 83.7 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.7 | -38.9 | 178.6 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | E486 L520 Q521 D525 L526 I527 K564 V578 I579 | E486-T523 HydrophobicContact CG-CG2 4.33Å; L520-T523 PolarHBondContact O-N 3.49Å; L520-T523 VanDerWaalsContact O-N 3.17Å; Q521-T523 PolarHBondContact O-N 2.1Å; T523-D525 VanDerWaalsContact C-N 3.33Å; T523-L526 WeakPolarHBondContact O-CB 2.87Å; T523-L526 PolarHBondContact O-N 3.47Å; T523-I527 WeakPolarHBondContact O-CG1 3.15Å; T523-I527 PolarHBondContact O-N 3.44Å; T523-K564 WeakPolarHBondContact OG1-CG 2.92Å; T523-V578 HydrophobicContact CG2-CG1 4.12Å; T523-I579 PolarHBondContact OG1-O 3.24Å |
| 524 | I | 91.4 | Very high | 84.1 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67 | -37.3 | 178.9 | -67.4 | 173.6 | 0 | 0 | 0 | 109.9 | Y483 E486 K487 Q490 L520 Q521 L526 I527 E528 | Y483-I524 HydrophobicContact CE2-CG2 4.02Å; E486-I524 HydrophobicContact CB-CG1 4.41Å; E486-I524 HydrophobicContact CG-CD1 4.41Å; E486-I524 HydrophobicContact CG-CG1 3.77Å; K487-I524 HydrophobicContact CG-CD1 4.02Å; K487-I524 HydrophobicContact CG-CG1 4.34Å; K487-I524 HydrophobicContact CG-CG2 4.29Å; Q490-I524 HydrophobicContact CB-CD1 3.65Å; Q490-I524 HydrophobicContact CG-CD1 3.95Å; L520-I524 WeakPolarHBondContact O-CG1 3.32Å; L520-I524 PolarHBondContact O-N 2.05Å; L520-I524 VanDerWaalsContact O-N 3.13Å; Q521-I524 PolarHBondContact O-N 3.49Å; I524-L526 PolarHBondContact O-N 2.13Å; I524-I527 PolarHBondContact O-N 3.26Å; I524-I527 VanDerWaalsContact O-N 3.09Å; I524-E528 VanDerWaalsContact CG2-CD 3.5Å; I524-E528 HydrophobicContact CG2-CG 4.04Å; I524-E528 VanDerWaalsContact CG2-OE1 3.3Å; I524-E528 WeakPolarHBondContact CG2-OE1 3.16Å; I524-E528 VanDerWaalsContact O-CG 3.27Å; I524-E528 WeakPolarHBondContact O-CG 3.28Å; I524-E528 PolarHBondContact O-N 2.24Å |
| 525 | D | 90.8 | Very high | 84.6 | Confident | 22 Ų | 22 | 45 Ų | 45 | 12% | 0.118 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.8 | -32.8 | 179.7 | -73.4 | -13.5 | 0 | 0 | 0 | 110.7 | Q521 P522 T523 I527 R529 | Q521-D525 PolarHBondContact NE2-OD1 2.34Å; Q521-D525 WeakPolarHBondContact O-CB 2.72Å; Q521-D525 PolarHBondContact O-N 3.45Å; P522-D525 PolarHBondContact O-N 2.17Å; T523-D525 VanDerWaalsContact C-N 3.33Å; D525-I527 PolarHBondContact O-N 3.22Å; D525-R529 HydrophobicContact CB-CB 4.36Å; D525-R529 HydrophobicContact CB-CG 3.83Å; D525-R529 VanDerWaalsContact CG-CZ 3.45Å; D525-R529 WeakPolarHBondContact O-CB 3.29Å; D525-R529 PolarHBondContact O-N 3.5Å; D525-R529 IonicContact OD1-CZ 3.04Å; D525-R529 IonicContact OD1-NE 3.95Å; D525-R529 PolarHBondContact OD1-NE 2.41Å; D525-R529 IonicContact OD2-CZ 3.45Å; D525-R529 IonicContact OD2-NE 2Å; D525-R529 PolarHBondContact OD2-NE 2.48Å; D525-R529 IonicContact OD2-NH1 3.04Å; D525-R529 IonicContact OD2-NH2 3.98Å; D525-R529 PolarHBondContact OD2-NH2 3.45Å |
| 526 | L | 92 | Very high | 85.3 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -29.5 | 179.5 | 172.8 | 66.1 | 0 | 0 | 0 | 110.6 | P522 T523 I524 G532 I533 Q559 H562 K564 L565 V578 | P522-L526 PolarHBondContact O-N 3.22Å; T523-L526 WeakPolarHBondContact O-CB 2.87Å; T523-L526 PolarHBondContact O-N 3.47Å; I524-L526 PolarHBondContact O-N 2.13Å; L526-G532 CarbonylContact O-C 3.35Å; L526-G532 WeakPolarHBondContact O-CA 3.44Å; L526-I533 HydrophobicContact CG-CD1 4.33Å; L526-I533 HydrophobicContact CG-CG1 4.43Å; L526-I533 PolarHBondContact O-N 2.4Å; L526-Q559 HydrophobicContact CD1-CB 4Å; L526-Q559 HydrophobicContact CD1-CG 3.88Å; L526-H562 HydrophobicContact CD1-CB 4.23Å; L526-K564 HydrophobicContact CD2-CB 4.16Å; L526-L565 HydrophobicContact CD2-CB 4.19Å; L526-V578 HydrophobicContact CD2-CG1 4.35Å |
| 527 | I | 92 | Very high | 86.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -91.9 | 0 | -175 | -66.7 | 175.2 | 0 | 0 | 0 | 109.2 | L479 Y483 T523 I524 D525 I533 F534 | L479-I527 HydrophobicContact CD1-CD1 4.35Å; Y483-I527 HydrophobicContact CD2-CB 4.1Å; Y483-I527 HydrophobicContact CD2-CD1 3.9Å; Y483-I527 HydrophobicContact CD2-CG2 3.82Å; Y483-I527 HydrophobicContact CE2-CB 4.4Å; Y483-I527 HydrophobicContact CE2-CG2 4.22Å; Y483-I527 HydrophobicContact CG-CD1 4.45Å; Y483-I527 HydrophobicContact CG-CG2 4.18Å; T523-I527 WeakPolarHBondContact O-CG1 3.15Å; T523-I527 PolarHBondContact O-N 3.44Å; I524-I527 PolarHBondContact O-N 3.26Å; I524-I527 VanDerWaalsContact O-N 3.09Å; D525-I527 PolarHBondContact O-N 3.22Å; I527-I533 HydrophobicContact CG1-CD1 4.09Å; I527-I533 PolarHBondContact O-N 3.14Å; I527-F534 HydrophobicContact CG2-CD1 4.09Å; I527-F534 HydrophobicContact CG2-CD2 3.96Å; I527-F534 HydrophobicContact CG2-CE1 3.93Å; I527-F534 HydrophobicContact CG2-CE2 3.8Å; I527-F534 HydrophobicContact CG2-CG 4.11Å; I527-F534 HydrophobicContact CG2-CZ 3.79Å; I527-F534 WeakPolarHBondContact O-CB 3.34Å; I527-F534 PolarHBondContact O-N 2.34Å |
| 528 | E | 88.3 | Confident | 87.1 | Confident | 33 Ų | 33 | 35.5 Ų | 35.5 | 15% | 0.154 | 19% | 0.186 | C | C | . | . | H | α-helix | 0 | 0 | 0 | 68.6 | 177.4 | -175.9 | 0 | 0 | 110.5 | Y483 K487 I524 K657 | Y483-E528 HydrophobicContact CE2-CB 4.34Å; Y483-E528 PolarHBondContact OH-OE2 2.32Å; K487-E528 WeakPolarHBondContact CE-OE2 3.3Å; K487-E528 IonicContact NZ-OE2 3.38Å; K487-E528 PolarHBondContact NZ-OE2 3.36Å; I524-E528 VanDerWaalsContact CG2-CD 3.5Å; I524-E528 HydrophobicContact CG2-CG 4.04Å; I524-E528 VanDerWaalsContact CG2-OE1 3.3Å; I524-E528 WeakPolarHBondContact CG2-OE1 3.16Å; I524-E528 VanDerWaalsContact O-CG 3.27Å; I524-E528 WeakPolarHBondContact O-CG 3.28Å; I524-E528 PolarHBondContact O-N 2.24Å; E528-K657 HydrophobicContact CB-CD 4.41Å; E528-K657 PolarHBondContact O-NZ 2.87Å | |
| 529 | R | 82.3 | Confident | 87.8 | Confident | 145 Ų | 145 | 37.4 Ų | 37.4 | 55% | 0.547 | 19% | 0.194 | S | C | . | . | S | Bend | 0 | 0 | 0 | -90.1 | -161.7 | -177.1 | 171.8 | 0.1 | 110.6 | D525 M531 G532 | D525-R529 HydrophobicContact CB-CB 4.36Å; D525-R529 HydrophobicContact CB-CG 3.83Å; D525-R529 VanDerWaalsContact CG-CZ 3.45Å; D525-R529 WeakPolarHBondContact O-CB 3.29Å; D525-R529 PolarHBondContact O-N 3.5Å; D525-R529 IonicContact OD1-CZ 3.04Å; D525-R529 IonicContact OD1-NE 3.95Å; D525-R529 PolarHBondContact OD1-NE 2.41Å; D525-R529 IonicContact OD2-CZ 3.45Å; D525-R529 IonicContact OD2-NE 2Å; D525-R529 PolarHBondContact OD2-NE 2.48Å; D525-R529 IonicContact OD2-NH1 3.04Å; D525-R529 IonicContact OD2-NH2 3.98Å; D525-R529 PolarHBondContact OD2-NH2 3.45Å; R529-M531 PolarHBondContact O-N 2.77Å; R529-G532 VanDerWaalsContact O-CA 3.23Å; R529-G532 WeakPolarHBondContact O-CA 3.19Å; R529-G532 PolarHBondContact O-N 3.36Å | |
| 530 | P | 69.9 | Low | 88.1 | Confident | 120 Ų | 120 | 33.9 Ų | 33.9 | 78% | 0.779 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | 0 | 108.6 | 0 | -20.1 | 26.7 | 0 | 0 | 0 | 111.6 | |||
| 531 | M | 79.9 | Confident | 87.9 | Confident | 109 Ų | 109 | 33.6 Ų | 33.6 | 54% | 0.537 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.6 | 0 | -177.1 | -62.2 | -64.1 | -152.3 | 0 | 0 | 109.9 | R529 L536 Q559 | R529-M531 PolarHBondContact O-N 2.77Å; M531-L536 HydrophobicContact SD-CD2 4.46Å; M531-Q559 PolarHBondContact O-NE2 2.85Å |
| 532 | G | 89.1 | Confident | 87.2 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | S | Bend | 0 | -176 | 0 | 0 | 0 | 0 | 0 | 0 | 111.4 | L526 R529 F534 A535 L536 | L526-G532 CarbonylContact O-C 3.35Å; L526-G532 WeakPolarHBondContact O-CA 3.44Å; R529-G532 VanDerWaalsContact O-CA 3.23Å; R529-G532 WeakPolarHBondContact O-CA 3.19Å; R529-G532 PolarHBondContact O-N 3.36Å; G532-F534 PolarHBondContact O-N 3.2Å; G532-A535 PolarHBondContact O-N 2.71Å; G532-L536 WeakPolarHBondContact O-CB 3.05Å; G532-L536 WeakPolarHBondContact O-CG 3.15Å; G532-L536 PolarHBondContact O-N 2.41Å | |
| 533 | I | 93.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | 0 | -174.6 | -66.9 | 176.4 | 0 | 0 | 0 | 109.5 | L479 L526 I527 L536 L537 F551 L555 F576 V578 W592 | L479-I533 HydrophobicContact CD2-CG2 4Å; L526-I533 HydrophobicContact CG-CD1 4.33Å; L526-I533 HydrophobicContact CG-CG1 4.43Å; L526-I533 PolarHBondContact O-N 2.4Å; I527-I533 HydrophobicContact CG1-CD1 4.09Å; I527-I533 PolarHBondContact O-N 3.14Å; I533-L536 PolarHBondContact O-N 3.17Å; I533-L537 WeakPolarHBondContact O-CB 3.08Å; I533-L537 PolarHBondContact O-N 2.71Å; I533-F551 HydrophobicContact CG2-CZ 3.95Å; I533-L555 HydrophobicContact CG1-CD1 3.68Å; I533-L555 HydrophobicContact CG1-CD2 4.38Å; I533-F576 HydrophobicContact CD1-CE2 3.81Å; I533-F576 HydrophobicContact CD1-CZ 4.38Å; I533-F576 HydrophobicContact CG2-CZ 4.34Å; I533-V578 HydrophobicContact CD1-CG2 3.96Å; I533-W592 HydrophobicContact CG2-CZ3 4.25Å |
| 534 | F | 92.4 | Very high | 85.9 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | 0 | -42.4 | 0 | -80.3 | -5.9 | 0 | 0 | 0 | 111.1 | F476 L479 Y483 I527 G532 L537 D538 | F476-F534 HydrophobicContact CE2-CE1 4.07Å; L479-F534 HydrophobicContact CD2-CE1 3.99Å; Y483-F534 HydrophobicContact CD1-CE2 4.04Å; Y483-F534 HydrophobicContact CD1-CZ 4.39Å; Y483-F534 HydrophobicContact CE1-CE2 4.12Å; I527-F534 HydrophobicContact CG2-CD1 4.09Å; I527-F534 HydrophobicContact CG2-CD2 3.96Å; I527-F534 HydrophobicContact CG2-CE1 3.93Å; I527-F534 HydrophobicContact CG2-CE2 3.8Å; I527-F534 HydrophobicContact CG2-CG 4.11Å; I527-F534 HydrophobicContact CG2-CZ 3.79Å; I527-F534 WeakPolarHBondContact O-CB 3.34Å; I527-F534 PolarHBondContact O-N 2.34Å; G532-F534 PolarHBondContact O-N 3.2Å; F534-L537 PolarHBondContact O-N 2.63Å; F534-D538 WeakPolarHBondContact O-CB 3.29Å; F534-D538 PolarHBondContact O-N 2.3Å | |
| 535 | A | 89.2 | Confident | 85.3 | Confident | 24 Ų | 24 | 53 Ų | 53 | 20% | 0.198 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -41.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G532 L537 D538 E539 | G532-A535 PolarHBondContact O-N 2.71Å; A535-L537 VanDerWaalsContact C-N 3.3Å; A535-D538 PolarHBondContact O-N 3.28Å; A535-E539 WeakPolarHBondContact O-CB 3.12Å; A535-E539 WeakPolarHBondContact O-CG 3.38Å; A535-E539 PolarHBondContact O-N 3.2Å |
| 536 | L | 91.5 | Very high | 84.9 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.8 | 0 | -179.8 | -70.2 | 176.2 | 0 | 0 | 0 | 110.4 | M531 G532 I533 D538 E539 E540 F551 K554 L555 S558 | M531-L536 HydrophobicContact SD-CD2 4.46Å; G532-L536 WeakPolarHBondContact O-CB 3.05Å; G532-L536 WeakPolarHBondContact O-CG 3.15Å; G532-L536 PolarHBondContact O-N 2.41Å; I533-L536 PolarHBondContact O-N 3.17Å; L536-D538 VanDerWaalsContact C-N 3.31Å; L536-E539 PolarHBondContact O-N 2.57Å; L536-E540 WeakPolarHBondContact O-CB 3.45Å; L536-E540 WeakPolarHBondContact O-CG 2.91Å; L536-E540 PolarHBondContact O-N 2.05Å; L536-F551 HydrophobicContact CB-CD2 4.45Å; L536-F551 HydrophobicContact CB-CE2 4.08Å; L536-K554 HydrophobicContact CD2-CD 4.31Å; L536-K554 HydrophobicContact CD2-CG 4.31Å; L536-L555 HydrophobicContact CD1-CB 4.39Å; L536-L555 HydrophobicContact CD1-CD1 3.84Å; L536-S558 WeakPolarHBondContact CD1-OG 2.71Å |
| 537 | L | 91 | Very high | 84.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | 0 | -39.2 | 0 | 178.7 | 63.6 | 0 | 0 | 0 | 110.6 | F476 I533 F534 A535 E539 E540 C541 F551 W592 L593 N596 | F476-L537 HydrophobicContact CD2-CD2 3.93Å; F476-L537 HydrophobicContact CE2-CD2 3.61Å; F476-L537 HydrophobicContact CZ-CD2 4.43Å; I533-L537 WeakPolarHBondContact O-CB 3.08Å; I533-L537 PolarHBondContact O-N 2.71Å; F534-L537 PolarHBondContact O-N 2.63Å; A535-L537 VanDerWaalsContact C-N 3.3Å; L537-E539 VanDerWaalsContact C-N 3.35Å; L537-E539 PolarHBondContact O-N 2.08Å; L537-E540 PolarHBondContact O-N 3.31Å; L537-C541 PolarHBondContact O-N 3.17Å; L537-C541 PolarHBondContact O-SG 3.41Å; L537-F551 HydrophobicContact CB-CD2 4.3Å; L537-F551 HydrophobicContact CB-CE2 3.7Å; L537-F551 HydrophobicContact CB-CZ 4.09Å; L537-F551 HydrophobicContact CD1-CD1 4.31Å; L537-F551 HydrophobicContact CD1-CD2 4.17Å; L537-F551 HydrophobicContact CD1-CE1 4.28Å; L537-F551 HydrophobicContact CD1-CE2 4.14Å; L537-F551 HydrophobicContact CD1-CG 4.27Å; L537-F551 HydrophobicContact CD1-CZ 4.18Å; L537-W592 HydrophobicContact CD1-CB 3.99Å; L537-W592 HydrophobicContact CD1-CE3 4.39Å; L537-W592 HydrophobicContact CD2-CE3 4.26Å; L537-L593 HydrophobicContact CD1-CD2 3.76Å; L537-L593 HydrophobicContact CD1-CG 4.48Å; L537-N596 HydrophobicContact CD2-CB 3.91Å; L537-N596 HydrophobicContact CG-CB 4.2Å; L537-N596 WeakPolarHBondContact CG-ND2 3.07Å | |
| 538 | D | 87.2 | Confident | 84.5 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 6% | 0.059 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.2 | -38.2 | -179.8 | -73.9 | -17.6 | 0 | 0 | 0 | 110.9 | F534 A535 L536 E540 C541 F542 N596 T651 S653 Q654 | F534-D538 WeakPolarHBondContact O-CB 3.29Å; F534-D538 PolarHBondContact O-N 2.3Å; A535-D538 PolarHBondContact O-N 3.28Å; L536-D538 VanDerWaalsContact C-N 3.31Å; D538-E540 VanDerWaalsContact C-N 3.27Å; D538-E540 PolarHBondContact O-N 2.06Å; D538-C541 WeakPolarHBondContact O-CB 3.46Å; D538-C541 PolarHBondContact O-N 3.27Å; D538-C541 VanDerWaalsContact O-N 3.13Å; D538-F542 HydrophobicContact CB-CE2 4.34Å; D538-F542 WeakPolarHBondContact O-CD2 2.97Å; D538-F542 WeakPolarHBondContact O-CE2 3.26Å; D538-F542 PolarHBondContact O-N 2.47Å; D538-N596 PolarHBondContact OD1-ND2 3.2Å; D538-T651 HydrophobicContact CB-CG2 4.45Å; D538-T651 VanDerWaalsContact OD1-CB 3.26Å; D538-T651 WeakPolarHBondContact OD1-CB 2.72Å; D538-T651 WeakPolarHBondContact OD1-CG2 3.33Å; D538-T651 PolarHBondContact OD1-OG1 2.88Å; D538-T651 PolarHBondContact OD2-OG1 3.42Å; D538-S653 PolarHBondContact OD1-OG 2.29Å; D538-S653 PolarHBondContact OD2-OG 2.43Å; D538-S653 VanDerWaalsContact OD2-OG 3.11Å; D538-Q654 WeakPolarHBondContact OD2-CG 2.6Å |
| 539 | E | 85.8 | Confident | 84.5 | Confident | 89 Ų | 89 | 62.6 Ų | 62.6 | 42% | 0.416 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.5 | 0 | -179.9 | -75.5 | -176.7 | -179.7 | 0 | 0 | 110.4 | A535 L536 L537 C541 F542 F543 K554 | A535-E539 WeakPolarHBondContact O-CB 3.12Å; A535-E539 WeakPolarHBondContact O-CG 3.38Å; A535-E539 PolarHBondContact O-N 3.2Å; L536-E539 PolarHBondContact O-N 2.57Å; L537-E539 VanDerWaalsContact C-N 3.35Å; L537-E539 PolarHBondContact O-N 2.08Å; E539-C541 PolarHBondContact O-N 3.34Å; E539-F542 PolarHBondContact O-N 2.94Å; E539-F542 VanDerWaalsContact O-N 3.12Å; E539-F543 PolarHBondContact O-N 3.49Å; E539-K554 IonicContact OE2-NZ 2.77Å; E539-K554 PolarHBondContact OE2-NZ 3.26Å |
| 540 | E | 87.7 | Confident | 84.8 | Confident | 15 Ų | 15 | 57 Ų | 57 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -79.7 | -61.8 | 147.9 | 0 | 0 | 110.7 | L536 L537 D538 F542 F543 S550 F551 K554 L593 | L536-E540 WeakPolarHBondContact O-CB 3.45Å; L536-E540 WeakPolarHBondContact O-CG 2.91Å; L536-E540 PolarHBondContact O-N 2.05Å; L537-E540 PolarHBondContact O-N 3.31Å; D538-E540 VanDerWaalsContact C-N 3.27Å; D538-E540 PolarHBondContact O-N 2.06Å; E540-F542 PolarHBondContact O-N 2.8Å; E540-F543 PolarHBondContact O-N 2.73Å; E540-S550 PolarHBondContact OE2-OG 3.47Å; E540-F551 HydrophobicContact CB-CB 4.3Å; E540-F551 HydrophobicContact CG-CB 4.02Å; E540-F551 HydrophobicContact CG-CD2 4.24Å; E540-K554 HydrophobicContact CG-CD 4.11Å; E540-K554 WeakPolarHBondContact OE1-CD 3.13Å; E540-K554 IonicContact OE1-NZ 3.83Å; E540-L593 HydrophobicContact CB-CD2 3.62Å | |
| 541 | C | 83.7 | Confident | 85.8 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -74.5 | 0 | 0 | 0 | 0 | 110.8 | L537 D538 E539 F543 L593 N596 M597 T651 | L537-C541 PolarHBondContact O-N 3.17Å; L537-C541 PolarHBondContact O-SG 3.41Å; D538-C541 WeakPolarHBondContact O-CB 3.46Å; D538-C541 PolarHBondContact O-N 3.27Å; D538-C541 VanDerWaalsContact O-N 3.13Å; E539-C541 PolarHBondContact O-N 3.34Å; C541-F543 VanDerWaalsContact C-N 3.34Å; C541-L593 HydrophobicContact CB-CD2 4.28Å; C541-L593 WeakPolarHBondContact SG-CD2 2.95Å; C541-N596 PolarHBondContact SG-ND2 3.31Å; C541-N596 VanDerWaalsContact SG-ND2 3.42Å; C541-M597 HydrophobicContact CB-CG 3.66Å; C541-M597 HydrophobicContact CB-SD 4.24Å; C541-T651 HydrophobicContact CB-CG2 4.4Å | |
| 542 | F | 73.7 | Confident | 86.3 | Confident | 88 Ų | 88 | 46.5 Ų | 46.5 | 39% | 0.386 | 24% | 0.241 | S | C | . | . | H | α-helix | 0 | -3.7 | 0 | -68 | -71.3 | 0 | 0 | 0 | 110.4 | D538 E539 E540 P544 F649 T651 | D538-F542 HydrophobicContact CB-CE2 4.34Å; D538-F542 WeakPolarHBondContact O-CD2 2.97Å; D538-F542 WeakPolarHBondContact O-CE2 3.26Å; D538-F542 PolarHBondContact O-N 2.47Å; E539-F542 PolarHBondContact O-N 2.94Å; E539-F542 VanDerWaalsContact O-N 3.12Å; E540-F542 PolarHBondContact O-N 2.8Å; F542-P544 WeakPolarHBondContact O-CD 2.99Å; F542-F649 HydrophobicContact CD1-CB 4.4Å; F542-F649 HydrophobicContact CE1-CB 3.3Å; F542-F649 HydrophobicContact CE1-CG 4.33Å; F542-F649 HydrophobicContact CZ-CB 3.9Å; F542-F649 WeakPolarHBondContact CZ-O 3.4Å; F542-T651 HydrophobicContact CE2-CG2 4.14Å; F542-T651 HydrophobicContact CZ-CG2 4.02Å | |
| 543 | F | 79.1 | Confident | 86.2 | Confident | 127 Ų | 127 | 52 Ų | 52 | 56% | 0.557 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -87.6 | 117.1 | -179.8 | -164.4 | -105.1 | 0 | 0 | 0 | 109.5 | E539 E540 C541 K545 G546 | E539-F543 PolarHBondContact O-N 3.49Å; E540-F543 PolarHBondContact O-N 2.73Å; C541-F543 VanDerWaalsContact C-N 3.34Å; F543-K545 HydrophobicContact CD1-CB 4.46Å; F543-K545 HydrophobicContact CE1-CB 4.32Å; F543-K545 PolarHBondContact O-N 3.49Å; F543-G546 PolarHBondContact O-N 3.18Å |
| 544 | P | 73 | Confident | 86 | Confident | 127 Ų | 127 | 55.4 Ų | 55.4 | 83% | 0.825 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 0 | -169.5 | -21.4 | 25.3 | 0 | 0 | 0 | 112 | F542 | F542-P544 WeakPolarHBondContact O-CD 2.99Š|
| 545 | K | 79.9 | Confident | 85.9 | Confident | 182 Ų | 182 | 55.2 Ų | 55.2 | 79% | 0.791 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -71.1 | -173.3 | -179 | -178.9 | 0 | 109.8 | F543 T547 | F543-K545 HydrophobicContact CD1-CB 4.46Å; F543-K545 HydrophobicContact CE1-CB 4.32Å; F543-K545 PolarHBondContact O-N 3.49Å; K545-T547 PolarHBondContact O-N 2.79Å | |
| 546 | G | 82.5 | Confident | 85.8 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | 0 | 122.8 | 0 | 0 | 0 | 0 | 0 | 0 | 110.2 | F543 L593 | F543-G546 PolarHBondContact O-N 3.18Å; G546-L593 WeakPolarHBondContact O-CD1 2.66Å | |||
| 547 | T | 86.8 | Confident | 85.6 | Confident | 79 Ų | 79 | 65 Ų | 65 | 49% | 0.485 | 32% | 0.321 | S | S | . | . | trans | -110.8 | 158.6 | 174.1 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | K545 K549 S550 F551 L593 | K545-T547 PolarHBondContact O-N 2.79Å; T547-K549 PolarHBondContact O-N 3.44Å; T547-S550 PolarHBondContact N-OG 3.46Å; T547-S550 PolarHBondContact O-N 3.31Å; T547-S550 VanDerWaalsContact O-N 3.08Å; T547-S550 PolarHBondContact O-OG 3.45Å; T547-S550 PolarHBondContact OG1-N 2.77Å; T547-S550 VanDerWaalsContact OG1-N 3.11Å; T547-S550 PolarHBondContact OG1-OG 3.33Å; T547-F551 PolarHBondContact O-N 2.76Å; T547-L593 WeakPolarHBondContact O-CD1 3.18Å | ||
| 548 | D | 88.8 | Confident | 85.4 | Confident | 27 Ų | 27 | 67.7 Ų | 67.7 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -53.9 | -30.2 | 178.7 | -63.8 | -24.9 | 0 | 0 | 0 | 110.8 | F551 V552 A574 S589 N590 Q591 W592 L593 | D548-F551 WeakPolarHBondContact O-CB 3.39Å; D548-F551 PolarHBondContact O-N 2.7Å; D548-V552 WeakPolarHBondContact O-CG2 3.5Å; D548-V552 PolarHBondContact O-N 3.18Å; D548-V552 VanDerWaalsContact O-N 3.11Å; D548-A574 HydrophobicContact CB-CB 4.42Å; D548-S589 VanDerWaalsContact CB-O 3.27Å; D548-S589 WeakPolarHBondContact CB-O 3.21Å; D548-N590 VanDerWaalsContact OD2-C 3.25Å; D548-N590 WeakPolarHBondContact OD2-CA 3.25Å; D548-Q591 WeakPolarHBondContact OD2-CA 2.82Å; D548-Q591 PolarHBondContact OD2-N 2.79Å; D548-W592 PolarHBondContact OD1-N 2.89Å; D548-L593 WeakPolarHBondContact OD1-CG 3.44Å; D548-L593 PolarHBondContact OD1-N 2.02Å; D548-L593 VanDerWaalsContact OD1-N 3.14Å |
| 549 | K | 87.4 | Confident | 85.3 | Confident | 135 Ų | 135 | 69 Ų | 69 | 59% | 0.587 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -70.2 | -44.2 | 176.6 | -170.6 | 177.7 | 176.2 | -179.4 | 0 | 111.4 | T547 F551 V552 E553 | T547-K549 PolarHBondContact O-N 3.44Å; K549-F551 PolarHBondContact O-N 2.7Å; K549-V552 PolarHBondContact O-N 3.17Å; K549-E553 WeakPolarHBondContact CE-OE1 3.13Å; K549-E553 WeakPolarHBondContact O-CG 3.21Å; K549-E553 PolarHBondContact O-N 3.1Å |
| 550 | S | 89.2 | Confident | 85.1 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.5 | -30.3 | 179.4 | 68.5 | 0 | 0 | 0 | 0 | 110.8 | E540 T547 K554 | E540-S550 PolarHBondContact OE2-OG 3.47Å; T547-S550 PolarHBondContact N-OG 3.46Å; T547-S550 PolarHBondContact O-N 3.31Å; T547-S550 VanDerWaalsContact O-N 3.08Å; T547-S550 PolarHBondContact O-OG 3.45Å; T547-S550 PolarHBondContact OG1-N 2.77Å; T547-S550 VanDerWaalsContact OG1-N 3.11Å; T547-S550 PolarHBondContact OG1-OG 3.33Å; S550-K554 VanDerWaalsContact O-CB 3.28Å; S550-K554 WeakPolarHBondContact O-CB 2.87Å; S550-K554 PolarHBondContact O-N 3.48Å |
| 551 | F | 91.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.2 | -49.1 | 178 | 158.9 | -114.4 | 0 | 0 | 0 | 110 | I533 L536 L537 E540 T547 D548 K549 E553 K554 L555 F576 W592 | I533-F551 HydrophobicContact CG2-CZ 3.95Å; L536-F551 HydrophobicContact CB-CD2 4.45Å; L536-F551 HydrophobicContact CB-CE2 4.08Å; L537-F551 HydrophobicContact CB-CD2 4.3Å; L537-F551 HydrophobicContact CB-CE2 3.7Å; L537-F551 HydrophobicContact CB-CZ 4.09Å; L537-F551 HydrophobicContact CD1-CD1 4.31Å; L537-F551 HydrophobicContact CD1-CD2 4.17Å; L537-F551 HydrophobicContact CD1-CE1 4.28Å; L537-F551 HydrophobicContact CD1-CE2 4.14Å; L537-F551 HydrophobicContact CD1-CG 4.27Å; L537-F551 HydrophobicContact CD1-CZ 4.18Å; E540-F551 HydrophobicContact CB-CB 4.3Å; E540-F551 HydrophobicContact CG-CB 4.02Å; E540-F551 HydrophobicContact CG-CD2 4.24Å; T547-F551 PolarHBondContact O-N 2.76Å; D548-F551 WeakPolarHBondContact O-CB 3.39Å; D548-F551 PolarHBondContact O-N 2.7Å; K549-F551 PolarHBondContact O-N 2.7Å; F551-E553 PolarHBondContact O-N 3.37Å; F551-K554 CarbonylContact O-C 3.47Å; F551-K554 WeakPolarHBondContact O-CB 3.43Å; F551-K554 PolarHBondContact O-N 1.47Å; F551-K554 VanDerWaalsContact O-N 3.1Å; F551-L555 HydrophobicContact CZ-CD2 4.44Å; F551-L555 WeakPolarHBondContact O-CB 3.41Å; F551-L555 PolarHBondContact O-N 3.3Å; F551-F576 HydrophobicContact CE1-CE1 4.17Å; F551-W592 AromaticContact CE1-CE3 3.67Å; F551-W592 HydrophobicContact CE1-CE3 3.67Å; F551-W592 AromaticContact CE1-CZ3 3.95Å; F551-W592 HydrophobicContact CE1-CZ3 3.95Å; F551-W592 HydrophobicContact CZ-CE3 4.15Å; F551-W592 HydrophobicContact CZ-CZ3 4.23Å |
| 552 | V | 89 | Confident | 84.9 | Confident | 8 Ų | 8 | 79.5 Ų | 79.5 | 5% | 0.048 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.2 | -36.9 | -176.9 | 172.9 | 0 | 0 | 0 | 0 | 109.6 | D548 K549 K554 L555 I556 A574 F576 S589 | D548-V552 WeakPolarHBondContact O-CG2 3.5Å; D548-V552 PolarHBondContact O-N 3.18Å; D548-V552 VanDerWaalsContact O-N 3.11Å; K549-V552 PolarHBondContact O-N 3.17Å; V552-K554 PolarHBondContact O-N 3.1Å; V552-L555 WeakPolarHBondContact O-CB 3.2Å; V552-L555 PolarHBondContact O-N 2.84Å; V552-L555 VanDerWaalsContact O-N 3.16Å; V552-I556 HydrophobicContact CG1-CD1 3.71Å; V552-I556 HydrophobicContact CG1-CG1 4.19Å; V552-I556 VanDerWaalsContact O-CG1 3.28Å; V552-I556 WeakPolarHBondContact O-CG1 3.45Å; V552-I556 PolarHBondContact O-N 3.17Å; V552-A574 HydrophobicContact CB-CB 4.34Å; V552-A574 VanDerWaalsContact CG2-C 3.5Å; V552-A574 HydrophobicContact CG2-CB 3.65Å; V552-A574 VanDerWaalsContact CG2-O 3.26Å; V552-A574 WeakPolarHBondContact CG2-O 3.43Å; V552-F576 HydrophobicContact CG2-CD1 4.44Å; V552-S589 WeakPolarHBondContact CG2-OG 3.14Å |
| 553 | E | 87.4 | Confident | 85.5 | Confident | 115 Ų | 115 | 80 Ų | 80 | 54% | 0.537 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 177.7 | -75.4 | 177.3 | 179.6 | 0 | 0 | 111.3 | K549 F551 L555 K557 | K549-E553 WeakPolarHBondContact CE-OE1 3.13Å; K549-E553 WeakPolarHBondContact O-CG 3.21Å; K549-E553 PolarHBondContact O-N 3.1Å; F551-E553 PolarHBondContact O-N 3.37Å; E553-L555 VanDerWaalsContact C-N 3.28Å; E553-K557 VanDerWaalsContact O-CB 3.28Å; E553-K557 WeakPolarHBondContact O-CB 2.94Å; E553-K557 PolarHBondContact O-N 1.6Å |
| 554 | K | 89.2 | Confident | 86 | Confident | 73 Ų | 73 | 77.1 Ų | 77.1 | 32% | 0.317 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.3 | -35.4 | 179.2 | -167.8 | 171.2 | -179.5 | 177.9 | 0 | 110.5 | L536 E539 E540 S550 F551 V552 K557 S558 | L536-K554 HydrophobicContact CD2-CD 4.31Å; L536-K554 HydrophobicContact CD2-CG 4.31Å; E539-K554 IonicContact OE2-NZ 2.77Å; E539-K554 PolarHBondContact OE2-NZ 3.26Å; E540-K554 HydrophobicContact CG-CD 4.11Å; E540-K554 WeakPolarHBondContact OE1-CD 3.13Å; E540-K554 IonicContact OE1-NZ 3.83Å; S550-K554 VanDerWaalsContact O-CB 3.28Å; S550-K554 WeakPolarHBondContact O-CB 2.87Å; S550-K554 PolarHBondContact O-N 3.48Å; F551-K554 CarbonylContact O-C 3.47Å; F551-K554 WeakPolarHBondContact O-CB 3.43Å; F551-K554 PolarHBondContact O-N 1.47Å; F551-K554 VanDerWaalsContact O-N 3.1Å; V552-K554 PolarHBondContact O-N 3.1Å; K554-K557 PolarHBondContact O-N 3.46Å; K554-S558 WeakPolarHBondContact O-CB 3.34Å; K554-S558 PolarHBondContact O-N 2.8Å; K554-S558 PolarHBondContact O-OG 3.18Å |
| 555 | L | 89.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 179.2 | 173.6 | 67.2 | 0 | 0 | 0 | 110.5 | I533 L536 F551 V552 E553 K557 S558 Q559 L565 F576 | I533-L555 HydrophobicContact CG1-CD1 3.68Å; I533-L555 HydrophobicContact CG1-CD2 4.38Å; L536-L555 HydrophobicContact CD1-CB 4.39Å; L536-L555 HydrophobicContact CD1-CD1 3.84Å; F551-L555 HydrophobicContact CZ-CD2 4.44Å; F551-L555 WeakPolarHBondContact O-CB 3.41Å; F551-L555 PolarHBondContact O-N 3.3Å; V552-L555 WeakPolarHBondContact O-CB 3.2Å; V552-L555 PolarHBondContact O-N 2.84Å; V552-L555 VanDerWaalsContact O-N 3.16Å; E553-L555 VanDerWaalsContact C-N 3.28Å; L555-K557 VanDerWaalsContact C-N 3.28Å; L555-K557 PolarHBondContact O-N 3.43Å; L555-S558 PolarHBondContact O-N 3.46Å; L555-S558 PolarHBondContact O-OG 2.82Å; L555-Q559 HydrophobicContact CD1-CG 4.3Å; L555-Q559 PolarHBondContact O-N 2.74Å; L555-L565 HydrophobicContact CD2-CD1 4.3Å; L555-F576 HydrophobicContact CD2-CB 4.23Å; L555-F576 HydrophobicContact CD2-CD1 3.85Å; L555-F576 HydrophobicContact CD2-CD2 3.75Å; L555-F576 HydrophobicContact CD2-CE1 4.08Å; L555-F576 HydrophobicContact CD2-CE2 3.98Å; L555-F576 HydrophobicContact CD2-CG 3.67Å; L555-F576 HydrophobicContact CD2-CZ 4.14Å |
| 556 | I | 88.3 | Confident | 87 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 23% | 0.226 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.3 | 0 | -177.4 | -69.1 | 174.5 | 0 | 0 | 0 | 109.8 | V552 D560 K567 | V552-I556 HydrophobicContact CG1-CD1 3.71Å; V552-I556 HydrophobicContact CG1-CG1 4.19Å; V552-I556 VanDerWaalsContact O-CG1 3.28Å; V552-I556 WeakPolarHBondContact O-CG1 3.45Å; V552-I556 PolarHBondContact O-N 3.17Å; I556-D560 VanDerWaalsContact O-CA 3.24Å; I556-D560 WeakPolarHBondContact O-CA 2.99Å; I556-D560 WeakPolarHBondContact O-CB 3.2Å; I556-D560 PolarHBondContact O-N 2.82Å; I556-K567 HydrophobicContact CG2-CD 4.08Å; I556-K567 HydrophobicContact CG2-CG 4.31Å |
| 557 | K | 87.4 | Confident | 86.8 | Confident | 188 Ų | 188 | 68.6 Ų | 68.6 | 82% | 0.817 | 34% | 0.34 | S | S | * | . | H | α-helix | 0 | -34.6 | 0 | -169.8 | 176.8 | 176 | -179.5 | 0 | 111 | E553 K554 L555 | E553-K557 VanDerWaalsContact O-CB 3.28Å; E553-K557 WeakPolarHBondContact O-CB 2.94Å; E553-K557 PolarHBondContact O-N 1.6Å; K554-K557 PolarHBondContact O-N 3.46Å; L555-K557 VanDerWaalsContact C-N 3.28Å; L555-K557 PolarHBondContact O-N 3.43Å | |
| 558 | S | 86.3 | Confident | 86.1 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -84.8 | 0 | -174.1 | 60.1 | 0 | 0 | 0 | 0 | 110.2 | L536 K554 L555 | L536-S558 WeakPolarHBondContact CD1-OG 2.71Å; K554-S558 WeakPolarHBondContact O-CB 3.34Å; K554-S558 PolarHBondContact O-N 2.8Å; K554-S558 PolarHBondContact O-OG 3.18Å; L555-S558 PolarHBondContact O-N 3.46Å; L555-S558 PolarHBondContact O-OG 2.82Å |
| 559 | Q | 85.7 | Confident | 84.9 | Confident | 39 Ų | 39 | 73.5 Ų | 73.5 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -63 | -68.7 | -19.7 | 0 | 0 | 109.4 | L526 M531 L555 K561 H562 L565 | L526-Q559 HydrophobicContact CD1-CB 4Å; L526-Q559 HydrophobicContact CD1-CG 3.88Å; M531-Q559 PolarHBondContact O-NE2 2.85Å; L555-Q559 HydrophobicContact CD1-CG 4.3Å; L555-Q559 PolarHBondContact O-N 2.74Å; Q559-K561 PolarHBondContact O-N 2.69Å; Q559-K561 VanDerWaalsContact O-N 3.14Å; Q559-H562 HydrophobicContact CB-CB 4.35Å; Q559-H562 WeakPolarHBondContact O-CB 3.18Å; Q559-H562 PolarHBondContact O-N 3.31Å; Q559-L565 HydrophobicContact CB-CD2 3.66Å; Q559-L565 VanDerWaalsContact O-CD2 3.26Å; Q559-L565 WeakPolarHBondContact O-CD2 3.41Å | |
| 560 | D | 80.3 | Confident | 83.5 | Confident | 86 Ų | 86 | 74.7 Ų | 74.7 | 46% | 0.46 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | -23.5 | 0 | -170.6 | 19.5 | 0 | 0 | 0 | 110.4 | I556 K567 | I556-D560 VanDerWaalsContact O-CA 3.24Å; I556-D560 WeakPolarHBondContact O-CA 2.99Å; I556-D560 WeakPolarHBondContact O-CB 3.2Å; I556-D560 PolarHBondContact O-N 2.82Å; D560-K567 WeakPolarHBondContact OD1-CE 3.31Å; D560-K567 IonicContact OD1-NZ 3.72Å; D560-K567 PolarHBondContact OD1-NZ 3.49Å; D560-K567 IonicContact OD2-NZ 3.97Å; D560-K567 PolarHBondContact OD2-NZ 3.4Å; D560-K567 VanDerWaalsContact OD2-NZ 3.11Å | |
| 561 | K | 82 | Confident | 81.9 | Confident | 213 Ų | 213 | 86.3 Ų | 86.3 | 93% | 0.926 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 0 | -173.3 | -68.1 | -177.4 | -177.5 | 179.8 | 0 | 109.9 | Q559 | Q559-K561 PolarHBondContact O-N 2.69Å; Q559-K561 VanDerWaalsContact O-N 3.14Å |
| 562 | H | 86.1 | Confident | 80.2 | Confident | 36 Ų | 36 | 89.4 Ų | 89.4 | 17% | 0.167 | 43% | 0.426 | C | S | . | . | 0 | 0 | 0 | -165.7 | -76.4 | 0 | 0 | 0 | 109.6 | P522 L526 Q559 K564 L565 | P522-H562 PolarHBondContact O-CE1 2.44Å; P522-H562 PolarHBondContact O-NE2 3.19Å; L526-H562 HydrophobicContact CD1-CB 4.23Å; Q559-H562 HydrophobicContact CB-CB 4.35Å; Q559-H562 WeakPolarHBondContact O-CB 3.18Å; Q559-H562 PolarHBondContact O-N 3.31Å; H562-K564 WeakPolarHBondContact CE1-CB 3.36Å; H562-K564 WeakPolarHBondContact ND1-CB 3.08Å; H562-K564 PolarHBondContact ND1-N 2.19Å; H562-K564 PolarHBondContact O-N 3.31Å; H562-K564 VanDerWaalsContact O-N 3.12Å; H562-L565 HydrophobicContact CB-CB 4.23Å; H562-L565 PolarHBondContact O-N 3.26Å | |||
| 563 | P | 86.2 | Confident | 78.8 | Confident | 100 Ų | 100 | 96 Ų | 96 | 65% | 0.649 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -19.8 | 0 | 19.4 | -27.3 | 0 | 0 | 0 | 111.9 | |||
| 564 | K | 89.2 | Confident | 77.9 | Confident | 65 Ų | 65 | 91.5 Ų | 91.5 | 28% | 0.283 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -1 | -173.2 | -63.2 | -65.7 | -175.2 | -178.6 | 0 | 111.3 | P522 T523 L526 H562 V578 I579 | P522-K564 HydrophobicContact CB-CG 4.48Å; T523-K564 WeakPolarHBondContact OG1-CG 2.92Å; L526-K564 HydrophobicContact CD2-CB 4.16Å; H562-K564 WeakPolarHBondContact CE1-CB 3.36Å; H562-K564 WeakPolarHBondContact ND1-CB 3.08Å; H562-K564 PolarHBondContact ND1-N 2.19Å; H562-K564 PolarHBondContact O-N 3.31Å; H562-K564 VanDerWaalsContact O-N 3.12Å; K564-V578 WeakPolarHBondContact O-CA 3.35Å; K564-I579 HydrophobicContact CD-CB 4.09Å; K564-I579 HydrophobicContact CD-CG2 4.32Å; K564-I579 PolarHBondContact O-N 1.66Å |
| 565 | L | 89.6 | Confident | 77.7 | Confident | 18 Ų | 18 | 89.6 Ų | 89.6 | 9% | 0.094 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.8 | 178.5 | 179.7 | 71.5 | 0 | 0 | 0 | 109.1 | L526 L555 Q559 H562 F576 G577 | L526-L565 HydrophobicContact CD2-CB 4.19Å; L555-L565 HydrophobicContact CD2-CD1 4.3Å; Q559-L565 HydrophobicContact CB-CD2 3.66Å; Q559-L565 VanDerWaalsContact O-CD2 3.26Å; Q559-L565 WeakPolarHBondContact O-CD2 3.41Å; H562-L565 HydrophobicContact CB-CB 4.23Å; H562-L565 PolarHBondContact O-N 3.26Å; L565-F576 HydrophobicContact CD1-CD2 4.03Å; L565-G577 CarbonylContact C-O 3.59Å |
| 566 | C | 84.9 | Confident | 77.7 | Confident | 24 Ų | 24 | 89.6 Ų | 89.6 | 16% | 0.162 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 0 | 179.6 | -57 | 0 | 0 | 0 | 0 | 110.4 | G577 I579 | C566-G577 PolarHBondContact N-O 1.94Å; C566-G577 WeakPolarHBondContact O-CA 3.17Å; C566-G577 PolarHBondContact O-N 3.49Å; C566-I579 VanDerWaalsContact SG-CD1 3.55Å; C566-I579 WeakPolarHBondContact SG-CG1 3.45Å |
| 567 | K | 78.6 | Confident | 77.7 | Confident | 107 Ų | 107 | 87.5 Ų | 87.5 | 47% | 0.465 | 43% | 0.426 | S | S | . | . | 0 | 133.4 | 0 | -68.7 | -177.1 | -176.8 | -179.9 | 0 | 109.9 | I556 D560 | I556-K567 HydrophobicContact CG2-CD 4.08Å; I556-K567 HydrophobicContact CG2-CG 4.31Å; D560-K567 WeakPolarHBondContact OD1-CE 3.31Å; D560-K567 IonicContact OD1-NZ 3.72Å; D560-K567 PolarHBondContact OD1-NZ 3.49Å; D560-K567 IonicContact OD2-NZ 3.97Å; D560-K567 PolarHBondContact OD2-NZ 3.4Å; D560-K567 VanDerWaalsContact OD2-NZ 3.11Å | |||
| 568 | T | 71 | Confident | 78 | Confident | 38 Ų | 38 | 78.6 Ų | 78.6 | 23% | 0.233 | 39% | 0.387 | C | S | . | . | trans | -72.4 | 0 | -178.9 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | F570 D575 | T568-F570 PolarHBondContact O-N 2.2Å; T568-D575 HydrophobicContact CG2-CB 3.75Å; T568-D575 PolarHBondContact OG1-O 2.47Å | ||
| 569 | E | 64.7 | Low | 78.2 | Confident | 172 Ų | 172 | 78.5 Ų | 78.5 | 80% | 0.804 | 38% | 0.381 | S | S | * | . | S | Bend | 0 | 0 | 0 | -75 | -175.4 | 177.3 | 0 | 0 | 110.8 | |||
| 570 | F | 58.3 | Low | 78.3 | Confident | 159 Ų | 159 | 77 Ų | 77 | 70% | 0.697 | 38% | 0.375 | S | S | * | . | S | Bend | 0 | 0 | 0 | -76.9 | -80.7 | 0 | 0 | 0 | 109.4 | T568 S572 | T568-F570 PolarHBondContact O-N 2.2Å; F570-S572 PolarHBondContact O-N 1.57Å | |
| 571 | R | 54.6 | Low | 78.4 | Confident | 273 Ų | 273 | 74.6 Ų | 74.6 | 100% | 1.03 | 36% | 0.359 | S | S | * | . | 0 | 33.9 | 0 | -84.4 | -168.3 | -159.8 | 179.2 | -0.8 | 111 | |||||
| 572 | S | 56.3 | Low | 78.2 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | trans | -107.7 | 0 | 179.1 | 66.5 | 0 | 0 | 0 | 0 | 110.3 | F570 | F570-S572 PolarHBondContact O-N 1.57Š| ||
| 573 | N | 59.5 | Low | 78 | Confident | 146 Ų | 146 | 64.5 Ų | 64.5 | 78% | 0.781 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -72.2 | -12.5 | 0 | 0 | 0 | 111.8 | D575 | N573-D575 PolarHBondContact O-N 2.65Š| |
| 574 | A | 68.1 | Low | 78 | Confident | 20 Ų | 20 | 65.3 Ų | 65.3 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.2 | D548 V552 S589 | D548-A574 HydrophobicContact CB-CB 4.42Å; V552-A574 HydrophobicContact CB-CB 4.34Å; V552-A574 VanDerWaalsContact CG2-C 3.5Å; V552-A574 HydrophobicContact CG2-CB 3.65Å; V552-A574 VanDerWaalsContact CG2-O 3.26Å; V552-A574 WeakPolarHBondContact CG2-O 3.43Å; A574-S589 WeakPolarHBondContact CA-OG 3.43Å; A574-S589 WeakPolarHBondContact CB-OG 3.3Å; A574-S589 WeakPolarHBondContact O-CB 3.22Å; A574-S589 PolarHBondContact O-N 3.22Å; A574-S589 VanDerWaalsContact O-N 3.13Å; A574-S589 PolarHBondContact O-OG 3.3Å | |
| 575 | D | 84.3 | Confident | 78 | Confident | 33 Ų | 33 | 62.2 Ų | 62.2 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 149 | 0 | -64 | -15.2 | 0 | 0 | 0 | 110 | T568 N573 Y587 N588 | T568-D575 HydrophobicContact CG2-CB 3.75Å; T568-D575 PolarHBondContact OG1-O 2.47Å; N573-D575 PolarHBondContact O-N 2.65Å; D575-Y587 WeakPolarHBondContact CA-O 3.08Å; D575-N588 WeakPolarHBondContact OD1-CA 3.02Å | |
| 576 | F | 89.9 | Confident | 78 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 154.5 | 172.9 | 63.6 | -85 | 0 | 0 | 0 | 108.8 | I533 F551 V552 L555 L565 V578 Y587 W592 | I533-F576 HydrophobicContact CD1-CE2 3.81Å; I533-F576 HydrophobicContact CD1-CZ 4.38Å; I533-F576 HydrophobicContact CG2-CZ 4.34Å; F551-F576 HydrophobicContact CE1-CE1 4.17Å; V552-F576 HydrophobicContact CG2-CD1 4.44Å; L555-F576 HydrophobicContact CD2-CB 4.23Å; L555-F576 HydrophobicContact CD2-CD1 3.85Å; L555-F576 HydrophobicContact CD2-CD2 3.75Å; L555-F576 HydrophobicContact CD2-CE1 4.08Å; L555-F576 HydrophobicContact CD2-CE2 3.98Å; L555-F576 HydrophobicContact CD2-CG 3.67Å; L555-F576 HydrophobicContact CD2-CZ 4.14Å; L565-F576 HydrophobicContact CD1-CD2 4.03Å; F576-V578 HydrophobicContact CD2-CG2 3.85Å; F576-V578 HydrophobicContact CE2-CG2 3.6Å; F576-Y587 HydrophobicContact CE2-CD2 4.06Å; F576-Y587 HydrophobicContact CZ-CD2 4.4Å; F576-Y587 HydrophobicContact CZ-CG 4.47Å; F576-Y587 PolarHBondContact N-O 2.02Å; F576-Y587 PolarHBondContact O-N 3.29Å; F576-W592 HydrophobicContact CE1-CE3 4.39Å; F576-W592 AromaticContact CE1-CH2 3.4Å; F576-W592 HydrophobicContact CE1-CH2 3.4Å; F576-W592 VanDerWaalsContact CE1-CH2 3.4Å; F576-W592 HydrophobicContact CE1-CZ2 4.14Å; F576-W592 AromaticContact CE1-CZ3 3.55Å; F576-W592 HydrophobicContact CE1-CZ3 3.55Å; F576-W592 HydrophobicContact CE2-CH2 4.37Å; F576-W592 AromaticContact CZ-CH2 3.16Å; F576-W592 HydrophobicContact CZ-CH2 3.16Å; F576-W592 HydrophobicContact CZ-CZ2 4.19Å; F576-W592 AromaticContact CZ-CZ3 3.41Å; F576-W592 HydrophobicContact CZ-CZ3 3.41Å; F576-W592 VanDerWaalsContact CZ-CZ3 3.41Å |
| 577 | G | 89.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L565 C566 V585 | L565-G577 CarbonylContact C-O 3.59Å; C566-G577 PolarHBondContact N-O 1.94Å; C566-G577 WeakPolarHBondContact O-CA 3.17Å; C566-G577 PolarHBondContact O-N 3.49Å; G577-V585 WeakPolarHBondContact CA-O 3.35Å |
| 578 | V | 91.8 | Very high | 78.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132 | 174.4 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | T523 L526 I533 K564 F576 H580 V585 Y587 | T523-V578 HydrophobicContact CG2-CG1 4.12Å; L526-V578 HydrophobicContact CD2-CG1 4.35Å; I533-V578 HydrophobicContact CD1-CG2 3.96Å; K564-V578 WeakPolarHBondContact O-CA 3.35Å; F576-V578 HydrophobicContact CD2-CG2 3.85Å; F576-V578 HydrophobicContact CE2-CG2 3.6Å; V578-H580 WeakPolarHBondContact CG1-NE2 2.87Å; V578-H580 PolarHBondContact O-CD2 1.71Å; V578-H580 PolarHBondContact O-N 3.31Å; V578-V585 PolarHBondContact N-O 3.34Å; V578-V585 PolarHBondContact O-N 3.19Å; V578-Y587 HydrophobicContact CB-CD2 4.41Å; V578-Y587 HydrophobicContact CB-CE2 3.95Å; V578-Y587 HydrophobicContact CG2-CD2 4.09Å; V578-Y587 HydrophobicContact CG2-CE2 4.02Å |
| 579 | I | 90.5 | Very high | 79.6 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 28% | 0.277 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 108.8 | 177 | -62 | 174.2 | 0 | 0 | 0 | 109 | T523 K564 C566 | T523-I579 PolarHBondContact OG1-O 3.24Å; K564-I579 HydrophobicContact CD-CB 4.09Å; K564-I579 HydrophobicContact CD-CG2 4.32Å; K564-I579 PolarHBondContact O-N 1.66Å; C566-I579 VanDerWaalsContact SG-CD1 3.55Å; C566-I579 WeakPolarHBondContact SG-CG1 3.45Å |
| 580 | H | 88 | Confident | 80.6 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | trans | -97.2 | 175.5 | 178.3 | -65.8 | -83.5 | 0 | 0 | 0 | 110.5 | F468 E486 V578 A582 G583 Y587 | F468-H580 HydrophobicContact CE2-CB 3.73Å; F468-H580 AromaticContact CE2-CG 3.99Å; F468-H580 HydrophobicContact CZ-CB 3.42Å; F468-H580 VanDerWaalsContact CZ-CB 3.42Å; F468-H580 AromaticContact CZ-CG 3.69Å; E486-H580 IonicContact OE2-ND1 3.88Å; V578-H580 WeakPolarHBondContact CG1-NE2 2.87Å; V578-H580 PolarHBondContact O-CD2 1.71Å; V578-H580 PolarHBondContact O-N 3.31Å; H580-A582 PolarHBondContact O-N 1.57Å; H580-G583 WeakPolarHBondContact CB-O 3.2Å; H580-G583 PolarHBondContact N-O 3.26Å; H580-G583 PolarHBondContact O-N 3.09Å; H580-Y587 AromaticContact NE2-CE2 3.47Å; H580-Y587 WeakPolarHBondContact NE2-CE2 3.22Å; H580-Y587 AromaticContact NE2-CZ 3.62Å; H580-Y587 PolarHBondContact NE2-OH 3.12Å | ||
| 581 | Y | 84 | Confident | 81.8 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -68.4 | -21.8 | -178.4 | 76.9 | -81.6 | 0 | 0 | 0 | 111 | F468 N485 E486 Q489 L520 G583 C700 | F468-Y581 HydrophobicContact CD2-CD1 4.43Å; F468-Y581 AromaticContact CD2-CE1 3.62Å; F468-Y581 HydrophobicContact CD2-CE1 3.62Å; F468-Y581 HydrophobicContact CE2-CD1 4.29Å; F468-Y581 AromaticContact CE2-CE1 3.92Å; F468-Y581 HydrophobicContact CE2-CE1 3.92Å; N485-Y581 HydrophobicContact CB-CE1 4.27Å; E486-Y581 WeakPolarHBondContact OE2-CD1 2.89Å; E486-Y581 PolarHBondContact OE2-N 1.7Å; Q489-Y581 HydrophobicContact CB-CE1 4.48Å; Q489-Y581 HydrophobicContact CG-CD2 4.16Å; Q489-Y581 HydrophobicContact CG-CE2 4.35Å; Q489-Y581 HydrophobicContact CG-CG 4.32Å; L520-Y581 HydrophobicContact CD1-CG 4.35Å; Y581-G583 VanDerWaalsContact C-N 3.35Å; Y581-C700 HydrophobicContact CD2-CB 3.9Å; Y581-C700 WeakPolarHBondContact CD2-O 3.17Å; Y581-C700 HydrophobicContact CE2-CB 4.18Å; Y581-C700 PolarHBondContact O-SG 3.49Å; Y581-C700 VanDerWaalsContact O-SG 3.32Å |
| 582 | A | 76.9 | Confident | 83.5 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -92.3 | -8.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F468 H580 | F468-A582 HydrophobicContact CD1-CB 3.56Å; F468-A582 HydrophobicContact CD2-CB 4.12Å; F468-A582 HydrophobicContact CE1-CB 3.53Å; F468-A582 HydrophobicContact CE2-CB 4.1Å; F468-A582 HydrophobicContact CG-CB 3.87Å; F468-A582 HydrophobicContact CZ-CB 3.81Å; H580-A582 PolarHBondContact O-N 1.57Å |
| 583 | G | 81.9 | Confident | 84.9 | Confident | 27 Ų | 27 | 37.9 Ų | 37.9 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | trans | 139.5 | -174.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | H580 Y581 | H580-G583 WeakPolarHBondContact CB-O 3.2Å; H580-G583 PolarHBondContact N-O 3.26Å; H580-G583 PolarHBondContact O-N 3.09Å; Y581-G583 VanDerWaalsContact C-N 3.35Å | ||
| 584 | R | 86.9 | Confident | 85.8 | Confident | 117 Ų | 117 | 34.5 Ų | 34.5 | 44% | 0.442 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 0 | -177.4 | 176.9 | 179.5 | 175.3 | -174.7 | 1.3 | 109.8 | ||
| 585 | V | 88 | Confident | 86.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 128.6 | 0 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | F468 I470 N474 G577 V578 Y587 | F468-V585 HydrophobicContact CE1-CG2 3.91Å; F468-V585 HydrophobicContact CZ-CG2 3.95Å; I470-V585 HydrophobicContact CD1-CG2 4.28Å; I470-V585 HydrophobicContact CG1-CG2 3.97Å; N474-V585 HydrophobicContact CB-CG1 4.07Å; N474-V585 WeakPolarHBondContact ND2-CG1 3.1Å; G577-V585 WeakPolarHBondContact CA-O 3.35Å; V578-V585 PolarHBondContact N-O 3.34Å; V578-V585 PolarHBondContact O-N 3.19Å; V585-Y587 HydrophobicContact CB-CE2 3.96Å; V585-Y587 HydrophobicContact CG1-CD1 4.4Å; V585-Y587 HydrophobicContact CG1-CD2 4.41Å; V585-Y587 HydrophobicContact CG1-CE1 3.92Å; V585-Y587 HydrophobicContact CG1-CE2 3.94Å | |
| 586 | E | 89.9 | Confident | 86.4 | Confident | 109 Ų | 109 | 34 Ų | 34 | 51% | 0.509 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 0 | 176.1 | -66.9 | -176.6 | 175.4 | 0 | 0 | 110.3 | N474 | N474-E586 WeakPolarHBondContact CB-O 3.49Å; N474-E586 PolarHBondContact ND2-O 2.01Å |
| 587 | Y | 91 | Very high | 85.8 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 136.6 | 0 | -70.2 | -78.3 | 0 | 0 | 0 | 109.9 | N474 Q478 L479 N482 D575 F576 V578 H580 V585 W592 | N474-Y587 HydrophobicContact CB-CD1 3.65Å; N474-Y587 HydrophobicContact CB-CE1 4.01Å; N474-Y587 HydrophobicContact CB-CG 4.46Å; N474-Y587 CarbonylContact O-C 3.56Å; N474-Y587 WeakPolarHBondContact O-CA 3.43Å; Q478-Y587 HydrophobicContact CB-CE1 4.41Å; L479-Y587 VanDerWaalsContact CA-CE1 3.44Å; L479-Y587 HydrophobicContact CB-CD1 3.97Å; L479-Y587 HydrophobicContact CB-CE1 3.6Å; L479-Y587 HydrophobicContact CD1-CD1 4.43Å; L479-Y587 HydrophobicContact CD1-CD2 4.11Å; L479-Y587 HydrophobicContact CD1-CE1 3.91Å; L479-Y587 HydrophobicContact CD1-CE2 3.54Å; L479-Y587 VanDerWaalsContact CD1-CZ 3.41Å; L479-Y587 HydrophobicContact CG-CE1 4.41Å; N482-Y587 WeakPolarHBondContact CB-OH 2.15Å; N482-Y587 PolarHBondContact ND2-OH 1.75Å; D575-Y587 WeakPolarHBondContact CA-O 3.08Å; F576-Y587 HydrophobicContact CE2-CD2 4.06Å; F576-Y587 HydrophobicContact CZ-CD2 4.4Å; F576-Y587 HydrophobicContact CZ-CG 4.47Å; F576-Y587 PolarHBondContact N-O 2.02Å; F576-Y587 PolarHBondContact O-N 3.29Å; V578-Y587 HydrophobicContact CB-CD2 4.41Å; V578-Y587 HydrophobicContact CB-CE2 3.95Å; V578-Y587 HydrophobicContact CG2-CD2 4.09Å; V578-Y587 HydrophobicContact CG2-CE2 4.02Å; H580-Y587 AromaticContact NE2-CE2 3.47Å; H580-Y587 WeakPolarHBondContact NE2-CE2 3.22Å; H580-Y587 AromaticContact NE2-CZ 3.62Å; H580-Y587 PolarHBondContact NE2-OH 3.12Å; V585-Y587 HydrophobicContact CB-CE2 3.96Å; V585-Y587 HydrophobicContact CG1-CD1 4.4Å; V585-Y587 HydrophobicContact CG1-CD2 4.41Å; V585-Y587 HydrophobicContact CG1-CE1 3.92Å; V585-Y587 HydrophobicContact CG1-CE2 3.94Å; Y587-W592 HydrophobicContact CD1-CZ2 4.33Å; Y587-W592 HydrophobicContact CG-CH2 4.26Å; Y587-W592 HydrophobicContact CG-CZ2 4.25Å | |
| 588 | N | 89.1 | Confident | 85.1 | Confident | 48 Ų | 48 | 37.5 Ų | 37.5 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 0 | 173.4 | -174.9 | -26.5 | 0 | 0 | 0 | 111 | V473 N474 D575 N590 W592 | V473-N588 HydrophobicContact CG1-CB 4.27Å; N474-N588 PolarHBondContact O-N 1.79Å; D575-N588 WeakPolarHBondContact OD1-CA 3.02Å; N588-N590 PolarHBondContact O-N 1.92Å; N588-N590 WeakPolarHBondContact OD1-CB 3.15Å; N588-N590 PolarHBondContact OD1-N 1.53Å; N588-W592 VanDerWaalsContact O-CD1 3.27Å; N588-W592 VanDerWaalsContact O-CE2 3.31Å; N588-W592 PolarHBondContact O-NE1 2.73Å |
| 589 | S | 88.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | 0 | 7.8 | 0 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | D548 V552 A574 Q591 W592 | D548-S589 VanDerWaalsContact CB-O 3.27Å; D548-S589 WeakPolarHBondContact CB-O 3.21Å; V552-S589 WeakPolarHBondContact CG2-OG 3.14Å; A574-S589 WeakPolarHBondContact CA-OG 3.43Å; A574-S589 WeakPolarHBondContact CB-OG 3.3Å; A574-S589 WeakPolarHBondContact O-CB 3.22Å; A574-S589 PolarHBondContact O-N 3.22Å; A574-S589 VanDerWaalsContact O-N 3.13Å; A574-S589 PolarHBondContact O-OG 3.3Å; S589-Q591 PolarHBondContact O-N 1.94Å; S589-Q591 VanDerWaalsContact O-N 3.12Å; S589-W592 VanDerWaalsContact CA-CE2 3.49Å; S589-W592 VanDerWaalsContact CA-NE1 3.26Å; S589-W592 WeakPolarHBondContact O-CB 3.14Å; S589-W592 VanDerWaalsContact O-CD1 3.3Å; S589-W592 PolarHBondContact O-N 1.82Å | |||
| 590 | N | 86.2 | Confident | 83.5 | Confident | 95 Ų | 95 | 37.2 Ų | 37.2 | 51% | 0.508 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 124.1 | 178.9 | -167.2 | 16.9 | 0 | 0 | 0 | 111.1 | D548 N588 W592 | D548-N590 VanDerWaalsContact OD2-C 3.25Å; D548-N590 WeakPolarHBondContact OD2-CA 3.25Å; N588-N590 PolarHBondContact O-N 1.92Å; N588-N590 WeakPolarHBondContact OD1-CB 3.15Å; N588-N590 PolarHBondContact OD1-N 1.53Å; N590-W592 PolarHBondContact O-N 3.27Å |
| 591 | Q | 83.3 | Confident | 83.2 | Confident | 81 Ų | 81 | 38 Ų | 38 | 38% | 0.379 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 0 | 176.6 | -67.9 | -175.2 | 2 | 0 | 0 | 111.6 | D548 S589 L593 M594 K595 | D548-Q591 WeakPolarHBondContact OD2-CA 2.82Å; D548-Q591 PolarHBondContact OD2-N 2.79Å; S589-Q591 PolarHBondContact O-N 1.94Å; S589-Q591 VanDerWaalsContact O-N 3.12Å; Q591-L593 VanDerWaalsContact C-N 3.34Å; Q591-M594 PolarHBondContact O-N 1.77Å; Q591-K595 WeakPolarHBondContact O-CB 2.82Å; Q591-K595 WeakPolarHBondContact O-CG 3.11Å; Q591-K595 PolarHBondContact O-N 3.39Å |
| 592 | W | 89 | Confident | 83 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | 0 | 0 | 0 | -84.2 | 29.6 | 0 | 0 | 0 | 110.9 | F476 L479 I533 L537 D548 F551 F576 Y587 N588 S589 N590 M594 K595 N596 | F476-W592 HydrophobicContact CB-CD2 4.21Å; F476-W592 HydrophobicContact CB-CG 4.15Å; F476-W592 HydrophobicContact CD2-CE3 4.43Å; L479-W592 HydrophobicContact CB-CH2 4.41Å; L479-W592 HydrophobicContact CD2-CH2 3.57Å; L479-W592 HydrophobicContact CD2-CZ3 3.7Å; I533-W592 HydrophobicContact CG2-CZ3 4.25Å; L537-W592 HydrophobicContact CD1-CB 3.99Å; L537-W592 HydrophobicContact CD1-CE3 4.39Å; L537-W592 HydrophobicContact CD2-CE3 4.26Å; D548-W592 PolarHBondContact OD1-N 2.89Å; F551-W592 AromaticContact CE1-CE3 3.67Å; F551-W592 HydrophobicContact CE1-CE3 3.67Å; F551-W592 AromaticContact CE1-CZ3 3.95Å; F551-W592 HydrophobicContact CE1-CZ3 3.95Å; F551-W592 HydrophobicContact CZ-CE3 4.15Å; F551-W592 HydrophobicContact CZ-CZ3 4.23Å; F576-W592 HydrophobicContact CE1-CE3 4.39Å; F576-W592 AromaticContact CE1-CH2 3.4Å; F576-W592 HydrophobicContact CE1-CH2 3.4Å; F576-W592 VanDerWaalsContact CE1-CH2 3.4Å; F576-W592 HydrophobicContact CE1-CZ2 4.14Å; F576-W592 AromaticContact CE1-CZ3 3.55Å; F576-W592 HydrophobicContact CE1-CZ3 3.55Å; F576-W592 HydrophobicContact CE2-CH2 4.37Å; F576-W592 AromaticContact CZ-CH2 3.16Å; F576-W592 HydrophobicContact CZ-CH2 3.16Å; F576-W592 HydrophobicContact CZ-CZ2 4.19Å; F576-W592 AromaticContact CZ-CZ3 3.41Å; F576-W592 HydrophobicContact CZ-CZ3 3.41Å; F576-W592 VanDerWaalsContact CZ-CZ3 3.41Å; Y587-W592 HydrophobicContact CD1-CZ2 4.33Å; Y587-W592 HydrophobicContact CG-CH2 4.26Å; Y587-W592 HydrophobicContact CG-CZ2 4.25Å; N588-W592 VanDerWaalsContact O-CD1 3.27Å; N588-W592 VanDerWaalsContact O-CE2 3.31Å; N588-W592 PolarHBondContact O-NE1 2.73Å; S589-W592 VanDerWaalsContact CA-CE2 3.49Å; S589-W592 VanDerWaalsContact CA-NE1 3.26Å; S589-W592 WeakPolarHBondContact O-CB 3.14Å; S589-W592 VanDerWaalsContact O-CD1 3.3Å; S589-W592 PolarHBondContact O-N 1.82Å; N590-W592 PolarHBondContact O-N 3.27Å; W592-M594 PolarHBondContact O-N 2.52Å; W592-K595 CarbonylContact O-C 3.41Å; W592-K595 PolarHBondContact O-N 2.66Å; W592-K595 VanDerWaalsContact O-N 3.16Å; W592-N596 WeakPolarHBondContact O-CB 3.35Å; W592-N596 PolarHBondContact O-N 2.11Å | |
| 593 | L | 85.7 | Confident | 83.5 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | H | α-helix | 0 | -39.1 | 0 | -70.3 | 174.7 | 0 | 0 | 0 | 110.9 | L537 E540 C541 G546 T547 D548 Q591 K595 N596 M597 | L537-L593 HydrophobicContact CD1-CD2 3.76Å; L537-L593 HydrophobicContact CD1-CG 4.48Å; E540-L593 HydrophobicContact CB-CD2 3.62Å; C541-L593 HydrophobicContact CB-CD2 4.28Å; C541-L593 WeakPolarHBondContact SG-CD2 2.95Å; G546-L593 WeakPolarHBondContact O-CD1 2.66Å; T547-L593 WeakPolarHBondContact O-CD1 3.18Å; D548-L593 WeakPolarHBondContact OD1-CG 3.44Å; D548-L593 PolarHBondContact OD1-N 2.02Å; D548-L593 VanDerWaalsContact OD1-N 3.14Å; Q591-L593 VanDerWaalsContact C-N 3.34Å; L593-K595 VanDerWaalsContact C-N 3.34Å; L593-N596 PolarHBondContact O-N 3.16Å; L593-M597 WeakPolarHBondContact O-CB 3.07Å; L593-M597 WeakPolarHBondContact O-CG 3.2Å; L593-M597 PolarHBondContact O-N 2.1Å | |
| 594 | M | 78.3 | Confident | 83.8 | Confident | 74 Ų | 74 | 38.6 Ų | 38.6 | 37% | 0.365 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -71.9 | -40.4 | -178.3 | -69.6 | -60 | -75.1 | 0 | 0 | 110.4 | F424 Q591 W592 N596 M597 D598 P599 | F424-M594 HydrophobicContact CD1-CE 3.85Å; F424-M594 HydrophobicContact CD2-CE 4.03Å; F424-M594 HydrophobicContact CE1-CE 3.35Å; F424-M594 HydrophobicContact CE2-CB 4.08Å; F424-M594 HydrophobicContact CE2-CE 3.54Å; F424-M594 HydrophobicContact CG-CE 4.17Å; F424-M594 HydrophobicContact CZ-CB 4.25Å; F424-M594 HydrophobicContact CZ-CE 3.16Å; Q591-M594 PolarHBondContact O-N 1.77Å; W592-M594 PolarHBondContact O-N 2.52Å; M594-N596 PolarHBondContact O-N 3.34Å; M594-M597 PolarHBondContact O-N 3.42Å; M594-D598 WeakPolarHBondContact O-CA 3.09Å; M594-D598 PolarHBondContact O-N 3.09Å; M594-P599 HydrophobicContact CE-CG 4.2Å |
| 595 | K | 81.6 | Confident | 83.8 | Confident | 44 Ų | 44 | 33.5 Ų | 33.5 | 19% | 0.191 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66 | -33.5 | 178.5 | -71.7 | -178.9 | -178.5 | 179.7 | 0 | 111.1 | S475 F476 E477 Q591 W592 L593 | S475-K595 PolarHBondContact OG-NZ 2.21Å; F476-K595 HydrophobicContact CB-CD 4.27Å; F476-K595 HydrophobicContact CD1-CB 4.36Å; E477-K595 IonicContact OE2-NZ 3.63Å; Q591-K595 WeakPolarHBondContact O-CB 2.82Å; Q591-K595 WeakPolarHBondContact O-CG 3.11Å; Q591-K595 PolarHBondContact O-N 3.39Å; W592-K595 CarbonylContact O-C 3.41Å; W592-K595 PolarHBondContact O-N 2.66Å; W592-K595 VanDerWaalsContact O-N 3.16Å; L593-K595 VanDerWaalsContact C-N 3.34Å |
| 596 | N | 84 | Confident | 83.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -78.2 | 0 | -178.9 | -166.5 | 37 | 0 | 0 | 0 | 111.3 | L537 D538 C541 W592 L593 M594 T651 V652 S653 | L537-N596 HydrophobicContact CD2-CB 3.91Å; L537-N596 HydrophobicContact CG-CB 4.2Å; L537-N596 WeakPolarHBondContact CG-ND2 3.07Å; D538-N596 PolarHBondContact OD1-ND2 3.2Å; C541-N596 PolarHBondContact SG-ND2 3.31Å; C541-N596 VanDerWaalsContact SG-ND2 3.42Å; W592-N596 WeakPolarHBondContact O-CB 3.35Å; W592-N596 PolarHBondContact O-N 2.11Å; L593-N596 PolarHBondContact O-N 3.16Å; M594-N596 PolarHBondContact O-N 3.34Å; N596-T651 WeakPolarHBondContact ND2-CB 3.12Å; N596-V652 WeakPolarHBondContact O-CG2 2.34Å; N596-V652 PolarHBondContact O-N 2.21Å; N596-S653 PolarHBondContact ND2-OG 2.02Å; N596-S653 VanDerWaalsContact OD1-CB 3.24Å; N596-S653 WeakPolarHBondContact OD1-CB 2.84Å; N596-S653 PolarHBondContact OD1-N 3.18Å; N596-S653 PolarHBondContact OD1-OG 3.07Å |
| 597 | M | 76.7 | Confident | 83.7 | Confident | 56 Ų | 56 | 32.1 Ų | 32.1 | 28% | 0.276 | 17% | 0.174 | S | C | . | . | H | α-helix | 0 | -35.6 | 0 | -73.2 | -161.7 | 73.2 | 0 | 0 | 110.2 | C541 L593 M594 M628 | C541-M597 HydrophobicContact CB-CG 3.66Å; C541-M597 HydrophobicContact CB-SD 4.24Å; L593-M597 WeakPolarHBondContact O-CB 3.07Å; L593-M597 WeakPolarHBondContact O-CG 3.2Å; L593-M597 PolarHBondContact O-N 2.1Å; M594-M597 PolarHBondContact O-N 3.42Å; M597-M628 HydrophobicContact CE-CE 3.74Å; M597-M628 HydrophobicContact CE-SD 3.72Å | |
| 598 | D | 75.1 | Confident | 83.8 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | trans | 42.4 | 0 | -176.3 | -158 | 20 | 0 | 0 | 0 | 111.5 | K273 M594 L600 V652 | K273-D598 WeakPolarHBondContact CE-OD2 1.7Å; K273-D598 IonicContact NZ-OD1 2.33Å; K273-D598 PolarHBondContact NZ-OD1 2.26Å; K273-D598 IonicContact NZ-OD2 3.08Å; K273-D598 PolarHBondContact NZ-OD2 2.07Å; M594-D598 WeakPolarHBondContact O-CA 3.09Å; M594-D598 PolarHBondContact O-N 3.09Å; D598-L600 PolarHBondContact O-N 3.21Å; D598-V652 HydrophobicContact CB-CG2 3.86Å | ||
| 599 | P | 71.3 | Confident | 83.8 | Confident | 34 Ų | 34 | 32.8 Ų | 32.8 | 22% | 0.221 | 18% | 0.175 | C | C | . | . | 0 | 129.7 | 0 | 25.8 | -28.9 | 0 | 0 | 0 | 111.7 | F424 A428 M594 | F424-P599 HydrophobicContact CD1-CG 4.37Å; F424-P599 HydrophobicContact CE1-CB 4.49Å; F424-P599 VanDerWaalsContact CE1-CD 3.48Å; F424-P599 HydrophobicContact CE1-CG 3.2Å; F424-P599 HydrophobicContact CZ-CG 3.67Å; A428-P599 WeakPolarHBondContact CB-O 3.42Å; M594-P599 HydrophobicContact CE-CG 4.2Å | |||
| 600 | L | 78 | Confident | 83.8 | Confident | 14 Ų | 14 | 36.1 Ų | 36.1 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | trans | -102.2 | 140.1 | 175.7 | -65.7 | 175.4 | 0 | 0 | 0 | 110.1 | A428 I429 D598 D602 V605 V626 | A428-L600 HydrophobicContact CB-CD2 4.18Å; I429-L600 HydrophobicContact CD1-CD2 4.28Å; D598-L600 PolarHBondContact O-N 3.21Å; L600-D602 PolarHBondContact O-N 3.37Å; L600-V605 HydrophobicContact CB-CG2 4.14Å; L600-V626 HydrophobicContact CD1-CB 4.01Å; L600-V626 HydrophobicContact CD1-CG1 3.27Å; L600-V626 HydrophobicContact CG-CG1 4Å | ||
| 601 | N | 81.3 | Confident | 84.1 | Confident | 26 Ų | 26 | 31.6 Ų | 31.6 | 14% | 0.139 | 18% | 0.179 | C | C | . | . | trans | -69.1 | 112.6 | 175.9 | -172.6 | -25.4 | 0 | 0 | 0 | 111.1 | A400 N603 V604 V605 | A400-N601 PolarHBondContact O-ND2 3.11Å; N601-N603 VanDerWaalsContact C-N 3.25Å; N601-N603 PolarHBondContact O-N 2.55Å; N601-N603 WeakPolarHBondContact OD1-CB 3.48Å; N601-N603 PolarHBondContact OD1-N 2.18Å; N601-V604 HydrophobicContact CB-CB 4.22Å; N601-V604 HydrophobicContact CB-CG2 3.89Å; N601-V604 PolarHBondContact O-N 3.48Å; N601-V604 VanDerWaalsContact O-N 3.13Å; N601-V605 VanDerWaalsContact O-CG2 3.3Å; N601-V605 WeakPolarHBondContact O-CG2 3.14Å; N601-V605 PolarHBondContact O-N 3.24Å | ||
| 602 | D | 80.9 | Confident | 84.5 | Confident | 36 Ų | 36 | 34.3 Ų | 34.3 | 19% | 0.193 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.3 | -35.8 | -173.3 | -71.3 | -14.7 | 0 | 0 | 0 | 111 | L600 V604 V605 A606 S627 S629 | L600-D602 PolarHBondContact O-N 3.37Å; D602-V604 VanDerWaalsContact C-N 3.26Å; D602-V604 PolarHBondContact O-N 3.23Å; D602-V605 PolarHBondContact O-N 2.35Å; D602-A606 WeakPolarHBondContact O-CB 3.34Å; D602-A606 PolarHBondContact O-N 3.39Å; D602-S627 WeakPolarHBondContact CB-OG 3.08Å; D602-S627 WeakPolarHBondContact OD1-CA 2.6Å; D602-S627 WeakPolarHBondContact OD1-CB 3.41Å; D602-S627 PolarHBondContact OD1-OG 2.81Å; D602-S627 WeakPolarHBondContact OD2-CB 2.56Å; D602-S627 CovalentContact OD2-OG 1.57Å; D602-S627 PolarHBondContact OD2-OG 3.45Å; D602-S629 WeakPolarHBondContact OD2-CB 3.33Å; D602-S629 PolarHBondContact OD2-N 2.65Å; D602-S629 PolarHBondContact OD2-OG 3.3Å |
| 603 | N | 86.4 | Confident | 84.5 | Confident | 43 Ų | 43 | 35.3 Ų | 35.3 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -37.7 | -178.7 | -68 | -40.2 | 0 | 0 | 0 | 111 | A400 P404 R405 N601 A606 L607 | A400-N603 HydrophobicContact CB-CB 3.98Å; P404-N603 WeakPolarHBondContact CA-ND2 3.37Å; P404-N603 WeakPolarHBondContact CB-ND2 3.14Å; R405-N603 PolarHBondContact N-ND2 3.31Å; R405-N603 PolarHBondContact O-ND2 3.37Å; R405-N603 VanDerWaalsContact O-ND2 3.1Å; R405-N603 PolarHBondContact O-OD1 2.13Å; N601-N603 VanDerWaalsContact C-N 3.25Å; N601-N603 PolarHBondContact O-N 2.55Å; N601-N603 WeakPolarHBondContact OD1-CB 3.48Å; N601-N603 PolarHBondContact OD1-N 2.18Å; N603-A606 PolarHBondContact O-N 2.34Å; N603-L607 VanDerWaalsContact O-CG 3.26Å; N603-L607 WeakPolarHBondContact O-CG 3.23Å; N603-L607 PolarHBondContact O-N 2.38Å |
| 604 | V | 87.8 | Confident | 84.8 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.7 | -38.3 | 179.5 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | A400 F401 I429 N601 D602 A606 L607 L608 | A400-V604 HydrophobicContact CB-CG2 3.74Å; F401-V604 HydrophobicContact CD1-CG2 4.09Å; F401-V604 HydrophobicContact CD2-CG2 4.48Å; F401-V604 HydrophobicContact CE1-CG2 3.84Å; F401-V604 HydrophobicContact CE2-CG2 4.25Å; F401-V604 HydrophobicContact CG-CG2 4.39Å; F401-V604 HydrophobicContact CZ-CG1 4.08Å; F401-V604 HydrophobicContact CZ-CG2 3.93Å; I429-V604 HydrophobicContact CD1-CB 4.09Å; I429-V604 HydrophobicContact CD1-CG1 3.88Å; I429-V604 HydrophobicContact CG1-CB 4.34Å; I429-V604 HydrophobicContact CG1-CG1 4.01Å; I429-V604 HydrophobicContact CG2-CG1 4.24Å; N601-V604 HydrophobicContact CB-CB 4.22Å; N601-V604 HydrophobicContact CB-CG2 3.89Å; N601-V604 PolarHBondContact O-N 3.48Å; N601-V604 VanDerWaalsContact O-N 3.13Å; D602-V604 VanDerWaalsContact C-N 3.26Å; D602-V604 PolarHBondContact O-N 3.23Å; V604-A606 VanDerWaalsContact C-N 3.27Å; V604-A606 PolarHBondContact O-N 2.29Å; V604-L607 VanDerWaalsContact O-CB 3.31Å; V604-L607 WeakPolarHBondContact O-CB 3.45Å; V604-L607 PolarHBondContact O-N 2.33Å; V604-L608 HydrophobicContact CG1-CD1 4.27Å; V604-L608 HydrophobicContact CG1-CG 4.43Å; V604-L608 WeakPolarHBondContact O-CG 3.35Å; V604-L608 PolarHBondContact O-N 3.3Å |
| 605 | V | 87.7 | Confident | 85.4 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | I429 L600 N601 D602 L607 L608 Q609 W620 A623 | I429-V605 HydrophobicContact CD1-CG2 4.45Å; L600-V605 HydrophobicContact CB-CG2 4.14Å; N601-V605 VanDerWaalsContact O-CG2 3.3Å; N601-V605 WeakPolarHBondContact O-CG2 3.14Å; N601-V605 PolarHBondContact O-N 3.24Å; D602-V605 PolarHBondContact O-N 2.35Å; V605-L607 PolarHBondContact O-N 1.79Å; V605-L608 PolarHBondContact O-N 2.36Å; V605-Q609 HydrophobicContact CG1-CG 4.38Å; V605-Q609 WeakPolarHBondContact O-CG 3.41Å; V605-Q609 PolarHBondContact O-N 2.55Å; V605-W620 HydrophobicContact CB-CZ3 4.49Å; V605-W620 HydrophobicContact CG1-CE3 4Å; V605-W620 HydrophobicContact CG1-CZ3 4.23Å; V605-W620 HydrophobicContact CG2-CE3 4.48Å; V605-W620 HydrophobicContact CG2-CZ3 3.87Å; V605-A623 HydrophobicContact CG1-CB 3.49Å; V605-A623 VanDerWaalsContact CG1-CB 3.49Å |
| 606 | A | 86.9 | Confident | 85.9 | Confident | 51 Ų | 51 | 34.5 Ų | 34.5 | 42% | 0.421 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.2 | -32.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D602 N603 V604 Q609 A610 | D602-A606 WeakPolarHBondContact O-CB 3.34Å; D602-A606 PolarHBondContact O-N 3.39Å; N603-A606 PolarHBondContact O-N 2.34Å; V604-A606 VanDerWaalsContact C-N 3.27Å; V604-A606 PolarHBondContact O-N 2.29Å; A606-Q609 PolarHBondContact O-N 3.37Å; A606-A610 PolarHBondContact O-N 3.35Å; A606-A610 VanDerWaalsContact O-N 3.1Å |
| 607 | L | 89.5 | Confident | 86.2 | Confident | 30 Ų | 30 | 38.3 Ų | 38.3 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.3 | -37.6 | 179.5 | -76.2 | 173.8 | 0 | 0 | 0 | 110.6 | E396 A400 N603 V604 V605 Q609 A610 S611 | E396-L607 HydrophobicContact CB-CD1 4.07Å; E396-L607 HydrophobicContact CB-CD2 3.81Å; E396-L607 WeakPolarHBondContact O-CD1 3.46Å; A400-L607 HydrophobicContact CB-CD1 3.67Å; N603-L607 VanDerWaalsContact O-CG 3.26Å; N603-L607 WeakPolarHBondContact O-CG 3.23Å; N603-L607 PolarHBondContact O-N 2.38Å; V604-L607 VanDerWaalsContact O-CB 3.31Å; V604-L607 WeakPolarHBondContact O-CB 3.45Å; V604-L607 PolarHBondContact O-N 2.33Å; V605-L607 PolarHBondContact O-N 1.79Å; L607-Q609 PolarHBondContact O-N 2.96Å; L607-A610 CarbonylContact O-C 2.99Å; L607-A610 PolarHBondContact O-N 3.31Å; L607-A610 VanDerWaalsContact O-N 3.09Å; L607-S611 PolarHBondContact O-N 3.39Å; L607-S611 VanDerWaalsContact O-N 3.08Å |
| 608 | L | 91.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.9 | -30.4 | -179.9 | -70.8 | 170.8 | 0 | 0 | 0 | 110.9 | L390 I392 I429 I433 V604 V605 A610 S611 V616 W620 | L390-L608 HydrophobicContact CD1-CD2 4.13Å; I392-L608 HydrophobicContact CG2-CD2 4.25Å; I429-L608 HydrophobicContact CG2-CD1 4.47Å; I433-L608 HydrophobicContact CG1-CD1 4.5Å; V604-L608 HydrophobicContact CG1-CD1 4.27Å; V604-L608 HydrophobicContact CG1-CG 4.43Å; V604-L608 WeakPolarHBondContact O-CG 3.35Å; V604-L608 PolarHBondContact O-N 3.3Å; V605-L608 PolarHBondContact O-N 2.36Å; L608-A610 PolarHBondContact O-N 2.88Å; L608-S611 WeakPolarHBondContact O-CB 3.39Å; L608-S611 PolarHBondContact O-N 2.82Å; L608-V616 HydrophobicContact CB-CG1 4.35Å; L608-V616 HydrophobicContact CD2-CG1 3.91Å; L608-W620 HydrophobicContact CB-CB 4.37Å; L608-W620 HydrophobicContact CB-CD2 3.88Å; L608-W620 HydrophobicContact CB-CG 3.77Å; L608-W620 HydrophobicContact CD1-CD2 3.75Å; L608-W620 HydrophobicContact CD1-CE3 4.23Å; L608-W620 HydrophobicContact CD1-CG 4.4Å; L608-W620 HydrophobicContact CD1-CH2 3.59Å; L608-W620 HydrophobicContact CD1-CZ2 3.06Å; L608-W620 HydrophobicContact CD1-CZ3 4.14Å; L608-W620 HydrophobicContact CG-CD2 4.49Å; L608-W620 HydrophobicContact CG-CZ2 4.43Å |
| 609 | Q | 89.1 | Confident | 87.3 | Confident | 61 Ų | 61 | 37.6 Ų | 37.6 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.7 | -27.7 | 176.6 | -75.5 | 178.6 | -28.5 | 0 | 0 | 111.3 | V605 A606 L607 S611 Q617 W620 | V605-Q609 HydrophobicContact CG1-CG 4.38Å; V605-Q609 WeakPolarHBondContact O-CG 3.41Å; V605-Q609 PolarHBondContact O-N 2.55Å; A606-Q609 PolarHBondContact O-N 3.37Å; L607-Q609 PolarHBondContact O-N 2.96Å; Q609-S611 VanDerWaalsContact C-N 3.33Å; Q609-Q617 WeakPolarHBondContact O-CG 3.11Å; Q609-W620 HydrophobicContact CG-CB 3.94Å; Q609-W620 WeakPolarHBondContact CG-O 2.88Å; Q609-W620 PolarHBondContact NE2-O 2.82Å |
| 610 | A | 89.6 | Confident | 88.1 | Confident | 70 Ų | 70 | 36.1 Ų | 36.1 | 58% | 0.579 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 22 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | A606 L607 L608 | A606-A610 PolarHBondContact O-N 3.35Å; A606-A610 VanDerWaalsContact O-N 3.1Å; L607-A610 CarbonylContact O-C 2.99Å; L607-A610 PolarHBondContact O-N 3.31Å; L607-A610 VanDerWaalsContact O-N 3.09Å; L608-A610 PolarHBondContact O-N 2.88Å |
| 611 | S | 91.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | trans | -63.9 | 151.5 | -177.7 | 173 | 0 | 0 | 0 | 0 | 110.7 | L390 G391 L607 L608 Q609 D613 Q617 | L390-S611 PolarHBondContact O-OG 3.37Å; G391-S611 PolarHBondContact O-OG 2.32Å; L607-S611 PolarHBondContact O-N 3.39Å; L607-S611 VanDerWaalsContact O-N 3.08Å; L608-S611 WeakPolarHBondContact O-CB 3.39Å; L608-S611 PolarHBondContact O-N 2.82Å; Q609-S611 VanDerWaalsContact C-N 3.33Å; S611-D613 PolarHBondContact O-N 2.93Å; S611-D613 PolarHBondContact OG-N 2.69Å; S611-D613 VanDerWaalsContact OG-N 3.14Å; S611-Q617 VanDerWaalsContact C-NE2 3.29Å; S611-Q617 WeakPolarHBondContact O-CG 3.11Å; S611-Q617 PolarHBondContact O-NE2 2.68Å | ||
| 612 | N | 92 | Very high | 87.5 | Confident | 138 Ų | 138 | 44.9 Ų | 44.9 | 74% | 0.738 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -77 | -10 | 177.7 | -71.3 | -24.4 | 0 | 0 | 0 | 111 | G391 P614 | G391-N612 PolarHBondContact O-N 2.96Å; N612-P614 WeakPolarHBondContact O-CD 3.19Å |
| 613 | D | 90.3 | Very high | 86.7 | Confident | 21 Ų | 21 | 43.3 Ų | 43.3 | 11% | 0.112 | 25% | 0.248 | C | C | . | . | trans | -93.7 | 0 | 176.5 | -173.7 | -13.5 | 0 | 0 | 0 | 110.6 | R353 S611 F615 V616 Q617 | R353-D613 IonicContact NH2-OD2 2.7Å; S611-D613 PolarHBondContact O-N 2.93Å; S611-D613 PolarHBondContact OG-N 2.69Å; S611-D613 VanDerWaalsContact OG-N 3.14Å; D613-F615 PolarHBondContact O-N 3.26Å; D613-F615 PolarHBondContact OD1-N 3.43Å; D613-V616 HydrophobicContact CB-CB 4.16Å; D613-V616 HydrophobicContact CB-CG2 3.92Å; D613-V616 PolarHBondContact O-N 2.08Å; D613-V616 VanDerWaalsContact O-N 3.12Å; D613-Q617 PolarHBondContact O-N 2.37Å | ||
| 614 | P | 91 | Very high | 85 | Confident | 97 Ų | 97 | 47.7 Ų | 47.7 | 63% | 0.63 | 27% | 0.267 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -24 | 31.8 | 0 | 0 | 0 | 111.6 | N612 Q617 A618 | N612-P614 WeakPolarHBondContact O-CD 3.19Å; P614-Q617 PolarHBondContact O-N 2.61Å; P614-A618 WeakPolarHBondContact O-CB 3.34Å; P614-A618 PolarHBondContact O-N 3.43Å | |
| 615 | F | 91.9 | Very high | 83.1 | Confident | 15 Ų | 15 | 51.9 Ų | 51.9 | 7% | 0.066 | 29% | 0.289 | C | S | . | . | H | α-helix | 0 | -42.1 | 0 | -177.3 | -108.3 | 0 | 0 | 0 | 110.9 | A350 I351 V354 L437 W440 D613 Q617 A618 M619 | A350-F615 HydrophobicContact CB-CB 3.89Å; A350-F615 HydrophobicContact CB-CD1 3.71Å; A350-F615 HydrophobicContact CB-CD2 4.13Å; A350-F615 HydrophobicContact CB-CE1 4.25Å; A350-F615 HydrophobicContact CB-CG 3.65Å; I351-F615 HydrophobicContact CG1-CE1 4.39Å; I351-F615 HydrophobicContact CG1-CE2 4.49Å; I351-F615 HydrophobicContact CG1-CZ 3.82Å; V354-F615 HydrophobicContact CG2-CD1 3.91Å; V354-F615 HydrophobicContact CG2-CE1 3.84Å; L437-F615 HydrophobicContact CD1-CE1 4.02Å; L437-F615 HydrophobicContact CD1-CZ 3.83Å; W440-F615 AromaticContact CD2-CE2 3.84Å; W440-F615 HydrophobicContact CD2-CE2 3.84Å; W440-F615 HydrophobicContact CD2-CZ 4.15Å; W440-F615 AromaticContact CE2-CE2 3.61Å; W440-F615 AromaticContact CE3-CE2 3.92Å; W440-F615 HydrophobicContact CE3-CE2 3.92Å; W440-F615 AromaticContact CE3-CZ 3.99Å; W440-F615 HydrophobicContact CE3-CZ 3.99Å; W440-F615 AromaticContact CH2-CE2 3.54Å; W440-F615 HydrophobicContact CH2-CE2 3.54Å; W440-F615 HydrophobicContact CH2-CZ 4.31Å; W440-F615 HydrophobicContact CZ2-CD2 4.19Å; W440-F615 AromaticContact CZ2-CE2 3.48Å; W440-F615 HydrophobicContact CZ2-CE2 3.48Å; W440-F615 VanDerWaalsContact CZ2-CE2 3.48Å; W440-F615 HydrophobicContact CZ2-CZ 4.48Å; W440-F615 AromaticContact CZ3-CE2 3.77Å; W440-F615 HydrophobicContact CZ3-CE2 3.77Å; W440-F615 HydrophobicContact CZ3-CZ 4.07Å; D613-F615 PolarHBondContact O-N 3.26Å; D613-F615 PolarHBondContact OD1-N 3.43Å; F615-Q617 VanDerWaalsContact C-N 3.32Å; F615-Q617 PolarHBondContact O-N 3.42Å; F615-A618 PolarHBondContact O-N 2.14Å; F615-M619 HydrophobicContact CD1-SD 3.94Å; F615-M619 HydrophobicContact CE1-CG 4.25Å; F615-M619 HydrophobicContact CE1-SD 3.42Å; F615-M619 WeakPolarHBondContact CE1-SD 3.04Å; F615-M619 HydrophobicContact CZ-CG 4.41Å; F615-M619 HydrophobicContact CZ-SD 3.99Å; F615-M619 WeakPolarHBondContact O-CG 3.39Å; F615-M619 PolarHBondContact O-N 3.42Å | |
| 616 | V | 91.6 | Very high | 81.3 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.2 | -34.7 | 179.1 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | V354 L390 L608 D613 A618 M619 W620 | V354-V616 HydrophobicContact CG2-CG2 4.36Å; L390-V616 HydrophobicContact CD2-CG2 4.34Å; L608-V616 HydrophobicContact CB-CG1 4.35Å; L608-V616 HydrophobicContact CD2-CG1 3.91Å; D613-V616 HydrophobicContact CB-CB 4.16Å; D613-V616 HydrophobicContact CB-CG2 3.92Å; D613-V616 PolarHBondContact O-N 2.08Å; D613-V616 VanDerWaalsContact O-N 3.12Å; V616-A618 VanDerWaalsContact C-N 3.3Å; V616-A618 PolarHBondContact O-N 3.43Å; V616-M619 PolarHBondContact O-N 3.44Å; V616-W620 PolarHBondContact O-N 2.25Å; V616-W620 VanDerWaalsContact O-N 3.14Å |
| 617 | Q | 89.5 | Confident | 79.2 | Confident | 80 Ų | 80 | 53 Ų | 53 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 177.5 | -78 | -177.2 | 2.1 | 0 | 0 | 110.6 | Q609 S611 D613 P614 F615 M619 W620 K621 | Q609-Q617 WeakPolarHBondContact O-CG 3.11Å; S611-Q617 VanDerWaalsContact C-NE2 3.29Å; S611-Q617 WeakPolarHBondContact O-CG 3.11Å; S611-Q617 PolarHBondContact O-NE2 2.68Å; D613-Q617 PolarHBondContact O-N 2.37Å; P614-Q617 PolarHBondContact O-N 2.61Å; F615-Q617 VanDerWaalsContact C-N 3.32Å; F615-Q617 PolarHBondContact O-N 3.42Å; Q617-M619 VanDerWaalsContact C-N 3.26Å; Q617-M619 PolarHBondContact O-N 2.67Å; Q617-W620 CarbonylContact O-C 3.58Å; Q617-W620 PolarHBondContact O-N 2.32Å; Q617-W620 VanDerWaalsContact O-N 3.12Å; Q617-K621 PolarHBondContact O-N 3.03Å |
| 618 | A | 87.1 | Confident | 76.9 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.9 | 0 | -179 | 0 | 0 | 0 | 0 | 0 | 110.4 | P614 F615 V616 W620 | P614-A618 WeakPolarHBondContact O-CB 3.34Å; P614-A618 PolarHBondContact O-N 3.43Å; F615-A618 PolarHBondContact O-N 2.14Å; V616-A618 VanDerWaalsContact C-N 3.3Å; V616-A618 PolarHBondContact O-N 3.43Å; A618-W620 PolarHBondContact O-N 2.3Å |
| 619 | M | 88.2 | Confident | 74.3 | Confident | 12 Ų | 12 | 57.4 Ų | 57.4 | 6% | 0.059 | 32% | 0.316 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -77.3 | -178.3 | 64.8 | 0 | 0 | 111 | V354 I433 R436 L437 F615 V616 Q617 | V354-M619 HydrophobicContact CG2-SD 4.4Å; I433-M619 VanDerWaalsContact O-CE 3.3Å; I433-M619 WeakPolarHBondContact O-CE 3.28Å; R436-M619 VanDerWaalsContact C-CE 3.5Å; R436-M619 HydrophobicContact CB-CE 3.78Å; R436-M619 PolarHBondContact NH1-O 3.43Å; L437-M619 HydrophobicContact CB-CE 3.47Å; L437-M619 VanDerWaalsContact CB-CE 3.47Å; L437-M619 HydrophobicContact CB-SD 4.45Å; L437-M619 HydrophobicContact CD1-CE 4.39Å; L437-M619 HydrophobicContact CD1-SD 4.32Å; F615-M619 HydrophobicContact CD1-SD 3.94Å; F615-M619 HydrophobicContact CE1-CG 4.25Å; F615-M619 HydrophobicContact CE1-SD 3.42Å; F615-M619 WeakPolarHBondContact CE1-SD 3.04Å; F615-M619 HydrophobicContact CZ-CG 4.41Å; F615-M619 HydrophobicContact CZ-SD 3.99Å; F615-M619 WeakPolarHBondContact O-CG 3.39Å; F615-M619 PolarHBondContact O-N 3.42Å; V616-M619 PolarHBondContact O-N 3.44Å; Q617-M619 VanDerWaalsContact C-N 3.26Å; Q617-M619 PolarHBondContact O-N 2.67Å | |
| 620 | W | 87.5 | Confident | 71.8 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -73.3 | 90 | 0 | 0 | 0 | 109.7 | S432 I433 V605 L608 Q609 V616 Q617 A618 D622 A623 | S432-W620 VanDerWaalsContact OG-CH2 3.31Å; S432-W620 WeakPolarHBondContact OG-CH2 2.35Å; I433-W620 HydrophobicContact CB-CZ2 4.49Å; I433-W620 HydrophobicContact CG1-CH2 4.45Å; I433-W620 HydrophobicContact CG1-CZ2 3.48Å; I433-W620 VanDerWaalsContact CG1-CZ2 3.48Å; V605-W620 HydrophobicContact CB-CZ3 4.49Å; V605-W620 HydrophobicContact CG1-CE3 4Å; V605-W620 HydrophobicContact CG1-CZ3 4.23Å; V605-W620 HydrophobicContact CG2-CE3 4.48Å; V605-W620 HydrophobicContact CG2-CZ3 3.87Å; L608-W620 HydrophobicContact CB-CB 4.37Å; L608-W620 HydrophobicContact CB-CD2 3.88Å; L608-W620 HydrophobicContact CB-CG 3.77Å; L608-W620 HydrophobicContact CD1-CD2 3.75Å; L608-W620 HydrophobicContact CD1-CE3 4.23Å; L608-W620 HydrophobicContact CD1-CG 4.4Å; L608-W620 HydrophobicContact CD1-CH2 3.59Å; L608-W620 HydrophobicContact CD1-CZ2 3.06Å; L608-W620 HydrophobicContact CD1-CZ3 4.14Å; L608-W620 HydrophobicContact CG-CD2 4.49Å; L608-W620 HydrophobicContact CG-CZ2 4.43Å; Q609-W620 HydrophobicContact CG-CB 3.94Å; Q609-W620 WeakPolarHBondContact CG-O 2.88Å; Q609-W620 PolarHBondContact NE2-O 2.82Å; V616-W620 PolarHBondContact O-N 2.25Å; V616-W620 VanDerWaalsContact O-N 3.14Å; Q617-W620 CarbonylContact O-C 3.58Å; Q617-W620 PolarHBondContact O-N 2.32Å; Q617-W620 VanDerWaalsContact O-N 3.12Å; A618-W620 PolarHBondContact O-N 2.3Å; W620-D622 PolarHBondContact O-N 3.25Å; W620-A623 HydrophobicContact CB-CB 4.5Å; W620-A623 HydrophobicContact CE3-CB 3.58Å; W620-A623 HydrophobicContact CZ3-CB 4.28Å; W620-A623 PolarHBondContact O-N 2.61Å | |
| 621 | K | 78.4 | Confident | 69.2 | Low | 150 Ų | 150 | 57 Ų | 57 | 65% | 0.652 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -24.2 | 0 | 81 | -179.4 | 177.9 | -177.6 | 0 | 110.7 | Q617 | Q617-K621 PolarHBondContact O-N 3.03Š| |
| 622 | D | 68.5 | Low | 66.4 | Low | 74 Ų | 74 | 60.3 Ų | 60.3 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 17 | -174.3 | -67.4 | -28 | 0 | 0 | 0 | 110.1 | W620 E624 R642 | W620-D622 PolarHBondContact O-N 3.25Å; D622-E624 PolarHBondContact O-N 2.84Å; D622-R642 IonicContact OD1-NH2 3.17Å; D622-R642 IonicContact OD2-NH2 3.3Å; D622-R642 PolarHBondContact OD2-NH2 2.78Å |
| 623 | A | 64.3 | Low | 63.6 | Low | 3 Ų | 3 | 56.5 Ų | 56.5 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -78.7 | 0 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V605 W620 I625 V626 | V605-A623 HydrophobicContact CG1-CB 3.49Å; V605-A623 VanDerWaalsContact CG1-CB 3.49Å; W620-A623 HydrophobicContact CB-CB 4.5Å; W620-A623 HydrophobicContact CE3-CB 3.58Å; W620-A623 HydrophobicContact CZ3-CB 4.28Å; W620-A623 PolarHBondContact O-N 2.61Å; A623-I625 PolarHBondContact O-N 3.28Å; A623-V626 PolarHBondContact O-N 2.74Å |
| 624 | E | 51 | Low | 60.8 | Low | 135 Ų | 135 | 60.7 Ų | 60.7 | 63% | 0.631 | 34% | 0.344 | S | S | * | . | G | 310 helix | 0 | -0.1 | 0 | -82.1 | -177.3 | -178.4 | 0 | 0 | 111 | D622 | D622-E624 PolarHBondContact O-N 2.84Š| |
| 625 | I | 48.1 | Very low | 57.9 | Low | 93 Ų | 93 | 60.4 Ų | 60.4 | 48% | 0.477 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -106.2 | 3.7 | -173.6 | -64 | 171.8 | 0 | 0 | 0 | 108.7 | A623 R642 | A623-I625 PolarHBondContact O-N 3.28Å; I625-R642 HydrophobicContact CD1-CG 4.48Å |
| 626 | V | 49.8 | Very low | 55.1 | Low | 64 Ų | 64 | 65.1 Ų | 65.1 | 39% | 0.388 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -122.4 | 0 | -168 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | L600 A623 | L600-V626 HydrophobicContact CD1-CB 4.01Å; L600-V626 HydrophobicContact CD1-CG1 3.27Å; L600-V626 HydrophobicContact CG-CG1 4Å; A623-V626 PolarHBondContact O-N 2.74Å |
| 627 | S | 42.4 | Very low | 52.2 | Low | 19 Ų | 19 | 66.9 Ų | 66.9 | 13% | 0.133 | 38% | 0.382 | C | S | . | . | 0 | 125.3 | 0 | 170.4 | 0 | 0 | 0 | 0 | 109.8 | D602 S629 A630 | D602-S627 WeakPolarHBondContact CB-OG 3.08Å; D602-S627 WeakPolarHBondContact OD1-CA 2.6Å; D602-S627 WeakPolarHBondContact OD1-CB 3.41Å; D602-S627 PolarHBondContact OD1-OG 2.81Å; D602-S627 WeakPolarHBondContact OD2-CB 2.56Å; D602-S627 CovalentContact OD2-OG 1.57Å; D602-S627 PolarHBondContact OD2-OG 3.45Å; S627-S629 PolarHBondContact O-N 3.16Å; S627-S629 PolarHBondContact OG-N 2.76Å; S627-S629 PolarHBondContact OG-OG 2.83Å; S627-S629 VanDerWaalsContact OG-OG 3.09Å; S627-A630 PolarHBondContact O-N 3.23Å | |||
| 628 | M | 41.5 | Very low | 49.4 | Very low | 88 Ų | 88 | 71.9 Ų | 71.9 | 43% | 0.433 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.2 | 0 | 173.7 | -74.8 | -79.9 | -74 | 0 | 0 | 111.2 | M597 T631 F649 | M597-M628 HydrophobicContact CE-CE 3.74Å; M597-M628 HydrophobicContact CE-SD 3.72Å; M628-T631 PolarHBondContact O-OG1 2.88Å; M628-F649 HydrophobicContact CB-CE1 3.44Å; M628-F649 VanDerWaalsContact CB-CE1 3.44Å; M628-F649 HydrophobicContact CB-CE2 4.49Å; M628-F649 HydrophobicContact CB-CZ 3.28Å; M628-F649 HydrophobicContact CE-CE1 4.39Å; M628-F649 HydrophobicContact CE-CZ 4.16Å; M628-F649 HydrophobicContact CG-CD1 4.14Å; M628-F649 HydrophobicContact CG-CE1 3.14Å; M628-F649 HydrophobicContact CG-CZ 3.5Å; M628-F649 VanDerWaalsContact N-CE1 3.28Å; M628-F649 WeakPolarHBondContact O-CZ 3.27Å; M628-F649 HydrophobicContact SD-CD1 3.31Å; M628-F649 WeakPolarHBondContact SD-CD1 3.35Å; M628-F649 HydrophobicContact SD-CD2 4.13Å; M628-F649 HydrophobicContact SD-CE1 2.73Å; M628-F649 WeakPolarHBondContact SD-CE1 2.72Å; M628-F649 HydrophobicContact SD-CE2 3.68Å; M628-F649 HydrophobicContact SD-CG 3.97Å; M628-F649 HydrophobicContact SD-CZ 2.96Å; M628-F649 WeakPolarHBondContact SD-CZ 2.02Å |
| 629 | S | 37.2 | Very low | 46.6 | Very low | 36 Ų | 36 | 73.1 Ų | 73.1 | 25% | 0.252 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | D602 S627 T631 | D602-S629 WeakPolarHBondContact OD2-CB 3.33Å; D602-S629 PolarHBondContact OD2-N 2.65Å; D602-S629 PolarHBondContact OD2-OG 3.3Å; S627-S629 PolarHBondContact O-N 3.16Å; S627-S629 PolarHBondContact OG-N 2.76Å; S627-S629 PolarHBondContact OG-OG 2.83Å; S627-S629 VanDerWaalsContact OG-OG 3.09Å; S629-T631 VanDerWaalsContact C-N 3.29Å; S629-T631 PolarHBondContact O-N 3.16Å | |
| 630 | A | 37 | Very low | 43.6 | Very low | 53 Ų | 53 | 79.3 Ų | 79.3 | 44% | 0.438 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.8 | S627 T632 | S627-A630 PolarHBondContact O-N 3.23Å; A630-T632 VanDerWaalsContact C-N 3.29Å; A630-T632 PolarHBondContact O-N 3.45Å | |
| 631 | T | 34.1 | Very low | 40.8 | Very low | 68 Ų | 68 | 82.9 Ų | 82.9 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 35.5 | 0 | 0 | 0 | 0 | 110.1 | M628 S629 F649 | M628-T631 PolarHBondContact O-OG1 2.88Å; S629-T631 VanDerWaalsContact C-N 3.29Å; S629-T631 PolarHBondContact O-N 3.16Å; T631-F649 HydrophobicContact CG2-CD2 4.35Å; T631-F649 HydrophobicContact CG2-CE2 4.11Å | |
| 632 | T | 33.5 | Very low | 38.6 | Very low | 71 Ų | 71 | 82.1 Ų | 82.1 | 44% | 0.436 | 49% | 0.488 | S | S | . | . | S | Bend | 0 | 0 | 0 | 27 | 0 | 0 | 0 | 0 | 108.9 | A630 | A630-T632 VanDerWaalsContact C-N 3.29Å; A630-T632 PolarHBondContact O-N 3.45Å | |
| 633 | T | 32 | Very low | 36.7 | Very low | 59 Ų | 59 | 83.3 Ų | 83.3 | 36% | 0.362 | 50% | 0.502 | S | S | . | . | S | Bend | 0 | 0 | 0 | 36.5 | 0 | 0 | 0 | 0 | 109.2 | K407 | K407-T633 WeakPolarHBondContact CE-OG1 3.07Å; K407-T633 VanDerWaalsContact NZ-CB 3.3Å; K407-T633 PolarHBondContact NZ-OG1 2.2Å | |
| 634 | T | 31.9 | Very low | 35.5 | Very low | 108 Ų | 108 | 85.5 Ų | 85.5 | 66% | 0.663 | 52% | 0.515 | S | S | * | . | 0 | 93.7 | 0 | 40.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 635 | D | 31.3 | Very low | 34.7 | Very low | 92 Ų | 92 | 86.2 Ų | 86.2 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | trans | -52.9 | 64.1 | 156.1 | -82.9 | -15.7 | 0 | 0 | 0 | 111.4 | ||||
| 636 | T | 32.9 | Very low | 33.9 | Very low | 113 Ų | 113 | 92.1 Ų | 92.1 | 69% | 0.693 | 53% | 0.528 | S | S | * | . | trans | -114.4 | 0 | 161.8 | 44.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 637 | A | 30.5 | Very low | 33.3 | Very low | 38 Ų | 38 | 91.9 Ų | 91.9 | 31% | 0.314 | 54% | 0.538 | S | S | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.7 | L895 | A637-L895 HydrophobicContact CB-CD1 3.31Š| |||
| 638 | F | 29.8 | Very low | 33.4 | Very low | 185 Ų | 185 | 95.5 Ų | 95.5 | 81% | 0.811 | 55% | 0.554 | S | S | * | * | 0 | 0 | 0 | -113.5 | -90.6 | 0 | 0 | 0 | 109 | L895 | F638-L895 HydrophobicContact CE2-CD2 3.82Š| |||
| 639 | G | 28.5 | Very low | 34 | Very low | 72 Ų | 72 | 94 Ų | 94 | 74% | 0.742 | 55% | 0.545 | S | S | * | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.2 | A641 | G639-A641 VanDerWaalsContact C-N 3.33Å; G639-A641 PolarHBondContact O-N 3.31Å | |||
| 640 | S | 26.1 | Very low | 35.4 | Very low | 142 Ų | 142 | 96.9 Ų | 96.9 | 99% | 0.993 | 55% | 0.551 | S | S | * | * | S | Bend | 0 | 0 | 0 | -148.7 | 0 | 0 | 0 | 0 | 111.6 | |||
| 641 | A | 27.2 | Very low | 37.3 | Very low | 77 Ų | 77 | 94.6 Ų | 94.6 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.2 | G639 | G639-A641 VanDerWaalsContact C-N 3.33Å; G639-A641 PolarHBondContact O-N 3.31Å | |||
| 642 | R | 32.5 | Very low | 39.5 | Very low | 134 Ų | 134 | 92.8 Ų | 92.8 | 51% | 0.506 | 52% | 0.52 | S | S | . | . | 0 | 67.5 | 0 | -90.6 | -170.3 | -139.5 | -178.9 | 1.2 | 109.4 | D622 I625 V644 | D622-R642 IonicContact OD1-NH2 3.17Å; D622-R642 IonicContact OD2-NH2 3.3Å; D622-R642 PolarHBondContact OD2-NH2 2.78Å; I625-R642 HydrophobicContact CD1-CG 4.48Å; R642-V644 PolarHBondContact O-N 2.81Å | |||
| 643 | S | 29.1 | Very low | 41.8 | Very low | 100 Ų | 100 | 89.4 Ų | 89.4 | 70% | 0.699 | 50% | 0.5 | S | S | * | . | trans | -1.8 | 0 | 137.9 | 162.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 644 | V | 38.2 | Very low | 44.2 | Very low | 49 Ų | 49 | 88.5 Ų | 88.5 | 30% | 0.297 | 49% | 0.491 | S | S | . | . | 0 | 89.5 | 0 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | R642 R646 R650 | R642-V644 PolarHBondContact O-N 2.81Å; V644-R646 PolarHBondContact O-N 3.36Å; V644-R650 HydrophobicContact CG1-CG 4.18Å | |||
| 645 | R | 34.9 | Very low | 46.4 | Very low | 149 Ų | 149 | 87.6 Ų | 87.6 | 56% | 0.562 | 48% | 0.482 | S | S | * | . | trans | 5 | 67.3 | 155.9 | -94.2 | -172.6 | -154.5 | 176.7 | -2.1 | 111.6 | G647 R1631 | R645-G647 PolarHBondContact O-N 3.41Å; R645-R1631 VanDerWaalsContact NH1-NH2 3.11Å | ||
| 646 | R | 32.5 | Very low | 48.7 | Very low | 218 Ų | 218 | 83.9 Ų | 83.9 | 82% | 0.823 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -30.7 | 0 | 161.5 | -103.2 | -169.2 | -143.1 | 173.1 | -0.9 | 111.2 | V644 | V644-R646 PolarHBondContact O-N 3.36Š|
| 647 | G | 36.8 | Very low | 51.2 | Low | 58 Ų | 58 | 81.4 Ų | 81.4 | 60% | 0.598 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.1 | R645 | R645-G647 PolarHBondContact O-N 3.41Š| |
| 648 | M | 43.1 | Very low | 53.6 | Low | 95 Ų | 95 | 81.6 Ų | 81.6 | 47% | 0.468 | 44% | 0.436 | S | S | . | . | S | Bend | 0 | 101.7 | 0 | -120 | 163.5 | 76.4 | 0 | 0 | 109.1 | R650 | M648-R650 PolarHBondContact O-N 3.39Š| |
| 649 | F | 55 | Low | 55.9 | Low | 57 Ų | 57 | 73.6 Ų | 73.6 | 25% | 0.25 | 40% | 0.404 | C | S | . | . | trans | -29 | 98.2 | 162 | -84.2 | -83.7 | 0 | 0 | 0 | 111.1 | F542 M628 T631 | F542-F649 HydrophobicContact CD1-CB 4.4Å; F542-F649 HydrophobicContact CE1-CB 3.3Å; F542-F649 HydrophobicContact CE1-CG 4.33Å; F542-F649 HydrophobicContact CZ-CB 3.9Å; F542-F649 WeakPolarHBondContact CZ-O 3.4Å; M628-F649 HydrophobicContact CB-CE1 3.44Å; M628-F649 VanDerWaalsContact CB-CE1 3.44Å; M628-F649 HydrophobicContact CB-CE2 4.49Å; M628-F649 HydrophobicContact CB-CZ 3.28Å; M628-F649 HydrophobicContact CE-CE1 4.39Å; M628-F649 HydrophobicContact CE-CZ 4.16Å; M628-F649 HydrophobicContact CG-CD1 4.14Å; M628-F649 HydrophobicContact CG-CE1 3.14Å; M628-F649 HydrophobicContact CG-CZ 3.5Å; M628-F649 VanDerWaalsContact N-CE1 3.28Å; M628-F649 WeakPolarHBondContact O-CZ 3.27Å; M628-F649 HydrophobicContact SD-CD1 3.31Å; M628-F649 WeakPolarHBondContact SD-CD1 3.35Å; M628-F649 HydrophobicContact SD-CD2 4.13Å; M628-F649 HydrophobicContact SD-CE1 2.73Å; M628-F649 WeakPolarHBondContact SD-CE1 2.72Å; M628-F649 HydrophobicContact SD-CE2 3.68Å; M628-F649 HydrophobicContact SD-CG 3.97Å; M628-F649 HydrophobicContact SD-CZ 2.96Å; M628-F649 WeakPolarHBondContact SD-CZ 2.02Å; T631-F649 HydrophobicContact CG2-CD2 4.35Å; T631-F649 HydrophobicContact CG2-CE2 4.11Å | ||
| 650 | R | 65.8 | Low | 58.7 | Low | 96 Ų | 96 | 70.4 Ų | 70.4 | 36% | 0.362 | 37% | 0.369 | S | S | . | . | trans | -74.7 | 123.8 | 175.5 | -87.3 | -165.6 | 165 | -165 | 0.9 | 110.2 | V644 M648 Q654 L655 D658 | V644-R650 HydrophobicContact CG1-CG 4.18Å; M648-R650 PolarHBondContact O-N 3.39Å; R650-Q654 VanDerWaalsContact CA-OE1 3.31Å; R650-L655 HydrophobicContact CB-CD2 4.26Å; R650-L655 HydrophobicContact CB-CG 4.21Å; R650-D658 IonicContact CZ-OD2 1.77Å; R650-D658 IonicContact NH1-OD2 1.79Å; R650-D658 PolarHBondContact NH1-OD2 2.84Å; R650-D658 IonicContact NH2-OD2 1.97Å; R650-D658 PolarHBondContact NH2-OD2 3.48Å | ||
| 651 | T | 77.6 | Confident | 61.6 | Low | 5 Ų | 5 | 66.8 Ų | 66.8 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | trans | -80.7 | 158.8 | 179 | 61.4 | 0 | 0 | 0 | 0 | 110 | D538 C541 F542 N596 S653 Q654 L655 | D538-T651 HydrophobicContact CB-CG2 4.45Å; D538-T651 VanDerWaalsContact OD1-CB 3.26Å; D538-T651 WeakPolarHBondContact OD1-CB 2.72Å; D538-T651 WeakPolarHBondContact OD1-CG2 3.33Å; D538-T651 PolarHBondContact OD1-OG1 2.88Å; D538-T651 PolarHBondContact OD2-OG1 3.42Å; C541-T651 HydrophobicContact CB-CG2 4.4Å; F542-T651 HydrophobicContact CE2-CG2 4.14Å; F542-T651 HydrophobicContact CZ-CG2 4.02Å; N596-T651 WeakPolarHBondContact ND2-CB 3.12Å; T651-S653 PolarHBondContact O-N 3.38Å; T651-S653 PolarHBondContact OG1-OG 2.42Å; T651-Q654 PolarHBondContact O-N 2.22Å; T651-Q654 VanDerWaalsContact O-N 3.14Å; T651-Q654 PolarHBondContact OG1-N 3.14Å; T651-L655 PolarHBondContact O-N 2.69Å; T651-L655 VanDerWaalsContact O-N 3.16Å | ||
| 652 | V | 79.4 | Confident | 64.3 | Low | 31 Ų | 31 | 70.2 Ų | 70.2 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -53.5 | 0 | 179.4 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | F476 N596 D598 L655 Y656 | F476-V652 HydrophobicContact CE1-CB 4.25Å; F476-V652 HydrophobicContact CE1-CG1 3.98Å; N596-V652 WeakPolarHBondContact O-CG2 2.34Å; N596-V652 PolarHBondContact O-N 2.21Å; D598-V652 HydrophobicContact CB-CG2 3.86Å; V652-L655 PolarHBondContact O-N 2.2Å; V652-Y656 WeakPolarHBondContact O-CB 2.83Å; V652-Y656 PolarHBondContact O-N 2.49Å |
| 653 | S | 83.5 | Confident | 66.8 | Low | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | 0 | 0 | 0 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | D538 N596 T651 K657 | D538-S653 PolarHBondContact OD1-OG 2.29Å; D538-S653 PolarHBondContact OD2-OG 2.43Å; D538-S653 VanDerWaalsContact OD2-OG 3.11Å; N596-S653 PolarHBondContact ND2-OG 2.02Å; N596-S653 VanDerWaalsContact OD1-CB 3.24Å; N596-S653 WeakPolarHBondContact OD1-CB 2.84Å; N596-S653 PolarHBondContact OD1-N 3.18Å; N596-S653 PolarHBondContact OD1-OG 3.07Å; T651-S653 PolarHBondContact O-N 3.38Å; T651-S653 PolarHBondContact OG1-OG 2.42Å; S653-K657 VanDerWaalsContact O-CB 3.23Å; S653-K657 WeakPolarHBondContact O-CB 2.81Å; S653-K657 PolarHBondContact O-N 2.84Å | |
| 654 | Q | 81.1 | Confident | 69.7 | Low | 40 Ų | 40 | 60 Ų | 60 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | H | α-helix | 0 | -39.7 | 0 | -78.4 | 176.6 | -14.3 | 0 | 0 | 110.2 | D538 R650 T651 Y656 K657 D658 | D538-Q654 WeakPolarHBondContact OD2-CG 2.6Å; R650-Q654 VanDerWaalsContact CA-OE1 3.31Å; T651-Q654 PolarHBondContact O-N 2.22Å; T651-Q654 VanDerWaalsContact O-N 3.14Å; T651-Q654 PolarHBondContact OG1-N 3.14Å; Q654-Y656 VanDerWaalsContact C-N 3.28Å; Q654-Y656 PolarHBondContact O-N 3.04Å; Q654-K657 PolarHBondContact O-N 3.3Å; Q654-D658 WeakPolarHBondContact O-CB 2.72Å; Q654-D658 VanDerWaalsContact O-CG 3.25Å; Q654-D658 PolarHBondContact O-N 3.2Å | |
| 655 | L | 77.7 | Confident | 72.1 | Confident | 89 Ų | 89 | 61 Ų | 61 | 47% | 0.466 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 180 | -70.9 | 173 | 0 | 0 | 0 | 110.4 | R650 T651 V652 D658 S659 | R650-L655 HydrophobicContact CB-CD2 4.26Å; R650-L655 HydrophobicContact CB-CG 4.21Å; T651-L655 PolarHBondContact O-N 2.69Å; T651-L655 VanDerWaalsContact O-N 3.16Å; V652-L655 PolarHBondContact O-N 2.2Å; L655-D658 PolarHBondContact O-N 2.87Å; L655-S659 WeakPolarHBondContact O-CB 3.12Å; L655-S659 PolarHBondContact O-N 3.39Å; L655-S659 PolarHBondContact O-OG 2.8Å |
| 656 | Y | 80.9 | Confident | 74.6 | Confident | 14 Ų | 14 | 56 Ų | 56 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.7 | -45.4 | -179.6 | 179.4 | -111.3 | 0 | 0 | 0 | 110.8 | L270 C480 Y483 T484 V652 Q654 D658 S659 L660 | L270-Y656 HydrophobicContact CB-CD2 3.61Å; L270-Y656 HydrophobicContact CB-CE2 3.21Å; L270-Y656 HydrophobicContact CD1-CD2 3.35Å; L270-Y656 HydrophobicContact CD1-CE2 3.63Å; L270-Y656 HydrophobicContact CD1-CG 4.03Å; L270-Y656 HydrophobicContact CD2-CD2 4.04Å; L270-Y656 HydrophobicContact CD2-CE1 4.5Å; L270-Y656 HydrophobicContact CD2-CE2 3.35Å; L270-Y656 HydrophobicContact CG-CD2 3.86Å; L270-Y656 HydrophobicContact CG-CE2 3.56Å; C480-Y656 HydrophobicContact CB-CD1 3.98Å; C480-Y656 HydrophobicContact CB-CE1 3.59Å; C480-Y656 WeakPolarHBondContact O-CE1 2.98Å; C480-Y656 PolarHBondContact O-OH 3.09Å; Y483-Y656 HydrophobicContact CD1-CD1 4.5Å; Y483-Y656 AromaticContact CD1-CE1 3.88Å; Y483-Y656 HydrophobicContact CD1-CE1 3.88Å; Y483-Y656 HydrophobicContact CE1-CE1 4.43Å; T484-Y656 WeakPolarHBondContact CB-OH 3.43Å; T484-Y656 PolarHBondContact OG1-OH 2.66Å; V652-Y656 WeakPolarHBondContact O-CB 2.83Å; V652-Y656 PolarHBondContact O-N 2.49Å; Q654-Y656 VanDerWaalsContact C-N 3.28Å; Q654-Y656 PolarHBondContact O-N 3.04Å; Y656-D658 VanDerWaalsContact C-N 3.3Å; Y656-D658 PolarHBondContact O-N 3.47Å; Y656-S659 WeakPolarHBondContact CA-OG 2.91Å; Y656-S659 PolarHBondContact O-N 2.94Å; Y656-S659 PolarHBondContact O-OG 2.8Å; Y656-L660 WeakPolarHBondContact O-CB 3.45Å; Y656-L660 PolarHBondContact O-N 3.19Å |
| 657 | K | 84.6 | Confident | 77.4 | Confident | 60 Ų | 60 | 45.8 Ų | 45.8 | 26% | 0.261 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.5 | -44.4 | 177 | -177.9 | -177.2 | 171.9 | -177.9 | 0 | 111.4 | E528 S653 Q654 S659 L660 I661 | E528-K657 HydrophobicContact CB-CD 4.41Å; E528-K657 PolarHBondContact O-NZ 2.87Å; S653-K657 VanDerWaalsContact O-CB 3.23Å; S653-K657 WeakPolarHBondContact O-CB 2.81Å; S653-K657 PolarHBondContact O-N 2.84Å; Q654-K657 PolarHBondContact O-N 3.3Å; K657-S659 VanDerWaalsContact C-N 3.34Å; K657-S659 PolarHBondContact O-N 2.85Å; K657-L660 PolarHBondContact O-N 3.48Å; K657-I661 HydrophobicContact CG-CD1 4.01Å; K657-I661 HydrophobicContact CG-CG1 4.49Å; K657-I661 VanDerWaalsContact O-CG1 3.25Å; K657-I661 WeakPolarHBondContact O-CG1 3.16Å; K657-I661 PolarHBondContact O-N 3.33Å |
| 658 | D | 80.5 | Confident | 79.8 | Confident | 42 Ų | 42 | 49.7 Ų | 49.7 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | -178.7 | -75.7 | -9.8 | 0 | 0 | 0 | 110.4 | R650 Q654 L655 Y656 L660 I661 R662 | R650-D658 IonicContact CZ-OD2 1.77Å; R650-D658 IonicContact NH1-OD2 1.79Å; R650-D658 PolarHBondContact NH1-OD2 2.84Å; R650-D658 IonicContact NH2-OD2 1.97Å; R650-D658 PolarHBondContact NH2-OD2 3.48Å; Q654-D658 WeakPolarHBondContact O-CB 2.72Å; Q654-D658 VanDerWaalsContact O-CG 3.25Å; Q654-D658 PolarHBondContact O-N 3.2Å; L655-D658 PolarHBondContact O-N 2.87Å; Y656-D658 VanDerWaalsContact C-N 3.3Å; Y656-D658 PolarHBondContact O-N 3.47Å; D658-L660 VanDerWaalsContact C-N 3.28Å; D658-L660 PolarHBondContact O-N 3.41Å; D658-I661 PolarHBondContact O-N 2.84Å; D658-R662 WeakPolarHBondContact O-CG 2.85Å; D658-R662 PolarHBondContact O-N 3.45Å |
| 659 | S | 79.4 | Confident | 82 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -40.1 | 179.2 | 64 | 0 | 0 | 0 | 0 | 111.1 | Y269 L655 Y656 K657 R662 L663 | Y269-S659 WeakPolarHBondContact CE1-O 3.48Å; L655-S659 WeakPolarHBondContact O-CB 3.12Å; L655-S659 PolarHBondContact O-N 3.39Å; L655-S659 PolarHBondContact O-OG 2.8Å; Y656-S659 WeakPolarHBondContact CA-OG 2.91Å; Y656-S659 PolarHBondContact O-N 2.94Å; Y656-S659 PolarHBondContact O-OG 2.8Å; K657-S659 VanDerWaalsContact C-N 3.34Å; K657-S659 PolarHBondContact O-N 2.85Å; S659-R662 WeakPolarHBondContact O-CB 2.54Å; S659-R662 PolarHBondContact O-N 3.4Å; S659-L663 PolarHBondContact O-N 2.74Å |
| 660 | L | 86.2 | Confident | 83.7 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 179.7 | -177 | 59.6 | 0 | 0 | 0 | 111.1 | Y483 T484 K487 Y656 K657 D658 R662 L663 M664 | Y483-L660 HydrophobicContact CD1-CD2 3.59Å; Y483-L660 HydrophobicContact CE1-CD2 3.08Å; Y483-L660 HydrophobicContact CE1-CG 4.49Å; T484-L660 HydrophobicContact CG2-CD1 3.69Å; K487-L660 HydrophobicContact CD-CD2 3.36Å; K487-L660 HydrophobicContact CD-CG 3.93Å; K487-L660 HydrophobicContact CG-CD2 4.26Å; Y656-L660 WeakPolarHBondContact O-CB 3.45Å; Y656-L660 PolarHBondContact O-N 3.19Å; K657-L660 PolarHBondContact O-N 3.48Å; D658-L660 VanDerWaalsContact C-N 3.28Å; D658-L660 PolarHBondContact O-N 3.41Å; L660-R662 PolarHBondContact O-N 3.29Å; L660-L663 HydrophobicContact CD1-CD2 4.26Å; L660-L663 WeakPolarHBondContact O-CB 2.9Å; L660-L663 PolarHBondContact O-N 3.36Å; L660-L663 VanDerWaalsContact O-N 3.17Å; L660-M664 HydrophobicContact CD1-CG 4.48Å; L660-M664 HydrophobicContact CG-CG 4.36Å; L660-M664 WeakPolarHBondContact O-CB 2.85Å; L660-M664 WeakPolarHBondContact O-CG 3.25Å; L660-M664 PolarHBondContact O-N 2.71Å |
| 661 | I | 86.7 | Confident | 84.8 | Confident | 67 Ų | 67 | 47 Ų | 47 | 34% | 0.344 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 177.5 | -72.3 | 173.2 | 0 | 0 | 0 | 109.8 | K657 D658 L663 M664 T665 | K657-I661 HydrophobicContact CG-CD1 4.01Å; K657-I661 HydrophobicContact CG-CG1 4.49Å; K657-I661 VanDerWaalsContact O-CG1 3.25Å; K657-I661 WeakPolarHBondContact O-CG1 3.16Å; K657-I661 PolarHBondContact O-N 3.33Å; D658-I661 PolarHBondContact O-N 2.84Å; I661-L663 VanDerWaalsContact C-N 3.31Å; I661-L663 PolarHBondContact O-N 2.88Å; I661-M664 PolarHBondContact O-N 3.34Å; I661-T665 PolarHBondContact O-N 2.7Å; I661-T665 PolarHBondContact O-OG1 2.78Å |
| 662 | R | 84.1 | Confident | 85.5 | Confident | 149 Ų | 149 | 48.1 Ų | 48.1 | 56% | 0.562 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.7 | -43.5 | 177.6 | -77.8 | -164.8 | -66.6 | -92.3 | 0.4 | 110.5 | D658 S659 L660 M664 T665 V666 | D658-R662 WeakPolarHBondContact O-CG 2.85Å; D658-R662 PolarHBondContact O-N 3.45Å; S659-R662 WeakPolarHBondContact O-CB 2.54Å; S659-R662 PolarHBondContact O-N 3.4Å; L660-R662 PolarHBondContact O-N 3.29Å; R662-M664 VanDerWaalsContact C-N 3.27Å; R662-M664 PolarHBondContact O-N 2.63Å; R662-T665 PolarHBondContact O-N 2.81Å; R662-V666 VanDerWaalsContact O-CG2 3.3Å; R662-V666 WeakPolarHBondContact O-CG2 2.31Å; R662-V666 PolarHBondContact O-N 2.81Å |
| 663 | L | 86.7 | Confident | 86 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 178.4 | 173.8 | 64.4 | 0 | 0 | 0 | 110.7 | F250 Y269 L463 S659 L660 I661 T665 V666 L667 | F250-L663 HydrophobicContact CB-CD1 4Å; F250-L663 HydrophobicContact CD1-CD1 4.28Å; F250-L663 HydrophobicContact CD2-CD1 3.99Å; F250-L663 HydrophobicContact CG-CD1 3.84Å; Y269-L663 HydrophobicContact CD2-CD2 4.16Å; Y269-L663 HydrophobicContact CE1-CB 3.9Å; Y269-L663 HydrophobicContact CE2-CB 4.3Å; Y269-L663 HydrophobicContact CE2-CD1 3.76Å; Y269-L663 HydrophobicContact CE2-CD2 3.98Å; Y269-L663 HydrophobicContact CE2-CG 4.25Å; L463-L663 HydrophobicContact CD1-CD1 4.14Å; L463-L663 HydrophobicContact CD1-CD2 3.86Å; S659-L663 PolarHBondContact O-N 2.74Å; L660-L663 HydrophobicContact CD1-CD2 4.26Å; L660-L663 WeakPolarHBondContact O-CB 2.9Å; L660-L663 PolarHBondContact O-N 3.36Å; L660-L663 VanDerWaalsContact O-N 3.17Å; I661-L663 VanDerWaalsContact C-N 3.31Å; I661-L663 PolarHBondContact O-N 2.88Å; L663-T665 VanDerWaalsContact C-N 3.3Å; L663-T665 PolarHBondContact O-N 2.71Å; L663-V666 PolarHBondContact O-N 2.78Å; L663-L667 HydrophobicContact CD1-CD1 4.46Å; L663-L667 HydrophobicContact CD1-CG 4.39Å; L663-L667 HydrophobicContact CG-CD1 4.18Å; L663-L667 VanDerWaalsContact O-CG 3.31Å; L663-L667 WeakPolarHBondContact O-CG 3.32Å; L663-L667 PolarHBondContact O-N 3.47Å |
| 664 | M | 89 | Confident | 86.4 | Confident | 16 Ų | 16 | 48.7 Ų | 48.7 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.5 | -34.8 | -179.5 | -71 | -53.1 | -63 | 0 | 0 | 111 | K487 L488 L491 L660 I661 R662 V666 L667 K668 | K487-M664 HydrophobicContact CD-CG 4.42Å; L488-M664 HydrophobicContact CD2-SD 4.15Å; L491-M664 HydrophobicContact CB-CE 3.61Å; L491-M664 HydrophobicContact CD1-CE 3.99Å; L491-M664 HydrophobicContact CD2-CE 3.77Å; L491-M664 HydrophobicContact CG-CE 4Å; L660-M664 HydrophobicContact CD1-CG 4.48Å; L660-M664 HydrophobicContact CG-CG 4.36Å; L660-M664 WeakPolarHBondContact O-CB 2.85Å; L660-M664 WeakPolarHBondContact O-CG 3.25Å; L660-M664 PolarHBondContact O-N 2.71Å; I661-M664 PolarHBondContact O-N 3.34Å; R662-M664 VanDerWaalsContact C-N 3.27Å; R662-M664 PolarHBondContact O-N 2.63Å; M664-V666 VanDerWaalsContact C-N 3.32Å; M664-L667 PolarHBondContact O-N 3.16Å; M664-L667 HydrophobicContact SD-CD1 4.28Å; M664-K668 WeakPolarHBondContact O-CB 1.27Å; M664-K668 WeakPolarHBondContact O-CG 2.72Å; M664-K668 PolarHBondContact O-N 2.07Å |
| 665 | T | 89 | Confident | 87 | Confident | 70 Ų | 70 | 46.8 Ų | 46.8 | 43% | 0.429 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.5 | -40.1 | 178.7 | -61.6 | 0 | 0 | 0 | 0 | 110 | I661 R662 L663 L667 K668 N669 | I661-T665 PolarHBondContact O-N 2.7Å; I661-T665 PolarHBondContact O-OG1 2.78Å; R662-T665 PolarHBondContact O-N 2.81Å; L663-T665 VanDerWaalsContact C-N 3.3Å; L663-T665 PolarHBondContact O-N 2.71Å; T665-L667 VanDerWaalsContact C-N 3.31Å; T665-L667 PolarHBondContact O-N 3.27Å; T665-K668 PolarHBondContact O-N 3.19Å; T665-N669 PolarHBondContact O-N 1.8Å; T665-N669 VanDerWaalsContact O-N 3.14Å; T665-N669 PolarHBondContact O-ND2 2.81Å |
| 666 | V | 87.7 | Confident | 87.6 | Confident | 46 Ų | 46 | 42.7 Ų | 42.7 | 28% | 0.279 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.8 | -39.7 | 179.9 | 172 | 0 | 0 | 0 | 0 | 109.3 | F250 F459 R662 L663 M664 K668 N669 T670 | F250-V666 HydrophobicContact CE1-CG1 4Å; F250-V666 HydrophobicContact CZ-CG1 3.99Å; F459-V666 HydrophobicContact CZ-CG1 4.26Å; R662-V666 VanDerWaalsContact O-CG2 3.3Å; R662-V666 WeakPolarHBondContact O-CG2 2.31Å; R662-V666 PolarHBondContact O-N 2.81Å; L663-V666 PolarHBondContact O-N 2.78Å; M664-V666 VanDerWaalsContact C-N 3.32Å; V666-K668 VanDerWaalsContact C-N 3.35Å; V666-K668 PolarHBondContact O-N 2.93Å; V666-N669 PolarHBondContact O-N 1.96Å; V666-T670 VanDerWaalsContact O-CG2 3.25Å; V666-T670 WeakPolarHBondContact O-CG2 2.4Å; V666-T670 PolarHBondContact O-N 2.7Å |
| 667 | L | 90.2 | Very high | 88.2 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.9 | -34.8 | -178.3 | -69.5 | 178.3 | 0 | 0 | 0 | 111 | L174 F250 L463 L488 L491 L663 M664 T665 N669 T670 | L174-L667 HydrophobicContact CD1-CD2 4.32Å; L174-L667 HydrophobicContact CD2-CD1 4.02Å; L174-L667 HydrophobicContact CD2-CD2 4.49Å; L174-L667 HydrophobicContact CG-CD2 4.48Å; F250-L667 HydrophobicContact CE2-CD2 3.87Å; F250-L667 HydrophobicContact CZ-CD2 4.46Å; L463-L667 HydrophobicContact CD2-CD1 3.78Å; L488-L667 HydrophobicContact CD2-CD1 3.96Å; L491-L667 HydrophobicContact CD2-CB 3.92Å; L491-L667 HydrophobicContact CD2-CD1 3.94Å; L663-L667 HydrophobicContact CD1-CD1 4.46Å; L663-L667 HydrophobicContact CD1-CG 4.39Å; L663-L667 HydrophobicContact CG-CD1 4.18Å; L663-L667 VanDerWaalsContact O-CG 3.31Å; L663-L667 WeakPolarHBondContact O-CG 3.32Å; L663-L667 PolarHBondContact O-N 3.47Å; M664-L667 PolarHBondContact O-N 3.16Å; M664-L667 HydrophobicContact SD-CD1 4.28Å; T665-L667 VanDerWaalsContact C-N 3.31Å; T665-L667 PolarHBondContact O-N 3.27Å; L667-N669 PolarHBondContact O-N 3.39Å; L667-T670 PolarHBondContact O-N 3.15Å; L667-T670 PolarHBondContact O-OG1 1.71Å |
| 668 | K | 88.6 | Confident | 88.5 | Confident | 140 Ų | 140 | 39.1 Ų | 39.1 | 61% | 0.609 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -69.4 | 0 | 179.6 | -76.4 | -178.5 | -179.4 | 179.1 | 0 | 111.3 | L491 M664 T665 V666 | L491-K668 HydrophobicContact CD1-CG 3.97Å; M664-K668 WeakPolarHBondContact O-CB 1.27Å; M664-K668 WeakPolarHBondContact O-CG 2.72Å; M664-K668 PolarHBondContact O-N 2.07Å; T665-K668 PolarHBondContact O-N 3.19Å; V666-K668 VanDerWaalsContact C-N 3.35Å; V666-K668 PolarHBondContact O-N 2.93Å |
| 669 | N | 89.1 | Confident | 89 | Confident | 133 Ų | 133 | 37.2 Ų | 37.2 | 71% | 0.711 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | 0 | -0.5 | 0 | -73.9 | -24.9 | 0 | 0 | 0 | 110.5 | T665 V666 L667 | T665-N669 PolarHBondContact O-N 1.8Å; T665-N669 VanDerWaalsContact O-N 3.14Å; T665-N669 PolarHBondContact O-ND2 2.81Å; V666-N669 PolarHBondContact O-N 1.96Å; L667-N669 PolarHBondContact O-N 3.39Å | |
| 670 | T | 90.9 | Very high | 89.6 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -111.5 | 164.6 | 175.5 | 60 | 0 | 0 | 0 | 0 | 109.5 | D170 S172 F459 V666 L667 P672 | D170-T670 HydrophobicContact CB-CG2 3.88Å; S172-T670 VanDerWaalsContact CB-OG1 3.25Å; S172-T670 WeakPolarHBondContact CB-OG1 3.5Å; S172-T670 PolarHBondContact OG-OG1 2.29Å; F459-T670 HydrophobicContact CE1-CG2 4.47Å; F459-T670 HydrophobicContact CE2-CG2 3.91Å; F459-T670 HydrophobicContact CZ-CG2 3.52Å; V666-T670 VanDerWaalsContact O-CG2 3.25Å; V666-T670 WeakPolarHBondContact O-CG2 2.4Å; V666-T670 PolarHBondContact O-N 2.7Å; L667-T670 PolarHBondContact O-N 3.15Å; L667-T670 PolarHBondContact O-OG1 1.71Å; T670-P672 WeakPolarHBondContact O-CD 3.24Å |
| 671 | S | 88.4 | Confident | 89.7 | Confident | 48 Ų | 48 | 36.3 Ų | 36.3 | 34% | 0.336 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 0 | 172.8 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | D170 Q171 S172 | D170-S671 PolarHBondContact O-N 2.92Å; Q171-S671 PolarHBondContact OE1-O 2.32Å; Q171-S671 PolarHBondContact OE1-OG 3.5Å; S172-S671 PolarHBondContact N-O 3.48Å |
| 672 | P | 90.9 | Very high | 89.6 | Confident | 29 Ų | 29 | 37.9 Ų | 37.9 | 19% | 0.188 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 132.1 | 0 | 27.4 | -33 | 0 | 0 | 0 | 112 | S172 L174 T495 T670 F674 | S172-P672 CarbonylContact O-C 3.26Å; S172-P672 WeakPolarHBondContact OG-CA 3.1Å; L174-P672 HydrophobicContact CD1-CB 4.04Å; T495-P672 HydrophobicContact CG2-CG 3.6Å; T670-P672 WeakPolarHBondContact O-CD 3.24Å; P672-F674 HydrophobicContact CB-CE1 4.48Å; P672-F674 HydrophobicContact CB-CE2 3.83Å; P672-F674 HydrophobicContact CB-CZ 3.76Å; P672-F674 HydrophobicContact CG-CE2 3.99Å; P672-F674 HydrophobicContact CG-CZ 4.13Å | |
| 673 | N | 91.9 | Very high | 89.6 | Confident | 35 Ų | 35 | 35.7 Ų | 35.7 | 19% | 0.187 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 0 | 167.7 | -61.9 | -79.8 | 0 | 0 | 0 | 110.3 | I156 S172 I173 L174 | I156-N673 HydrophobicContact CG2-CB 4.26Å; S172-N673 WeakPolarHBondContact O-CA 3.26Å; S172-N673 WeakPolarHBondContact O-CB 3.32Å; S172-N673 PolarHBondContact O-N 2.96Å; S172-N673 PolarHBondContact O-ND2 3.22Å; I173-N673 CarbonylContact C-O 3.27Å; I173-N673 WeakPolarHBondContact CA-O 3.36Å; I173-N673 HydrophobicContact CG1-CB 4.11Å; L174-N673 PolarHBondContact N-O 1.94Å |
| 674 | F | 91.4 | Very high | 89.4 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 133.2 | 0 | -68.5 | -80 | 0 | 0 | 0 | 109.3 | F120 C121 L174 F492 T495 M496 P672 | F120-F674 WeakPolarHBondContact CA-O 3.48Å; F120-F674 HydrophobicContact CB-CB 3.73Å; F120-F674 VanDerWaalsContact CB-O 3.26Å; F120-F674 WeakPolarHBondContact CB-O 3.16Å; C121-F674 PolarHBondContact N-O 2.63Å; C121-F674 VanDerWaalsContact N-O 3.15Å; L174-F674 HydrophobicContact CB-CD1 4.07Å; L174-F674 HydrophobicContact CB-CE1 4.36Å; L174-F674 HydrophobicContact CD2-CE1 3.95Å; F492-F674 HydrophobicContact CB-CE1 4.06Å; F492-F674 HydrophobicContact CB-CZ 4.25Å; F492-F674 HydrophobicContact CD2-CB 4.34Å; F492-F674 AromaticContact CD2-CD1 3.86Å; F492-F674 HydrophobicContact CD2-CD1 3.86Å; F492-F674 AromaticContact CD2-CD2 3.84Å; F492-F674 HydrophobicContact CD2-CD2 3.84Å; F492-F674 HydrophobicContact CD2-CE1 4.04Å; F492-F674 HydrophobicContact CD2-CE2 4.02Å; F492-F674 AromaticContact CD2-CG 3.75Å; F492-F674 HydrophobicContact CD2-CG 3.75Å; F492-F674 HydrophobicContact CD2-CZ 4.13Å; F492-F674 HydrophobicContact CE2-CB 4.43Å; F492-F674 HydrophobicContact CE2-CD2 4.26Å; F492-F674 HydrophobicContact CE2-CG 4.25Å; T495-F674 HydrophobicContact CG2-CE2 4.38Å; M496-F674 HydrophobicContact CG-CE2 4.46Å; P672-F674 HydrophobicContact CB-CE1 4.48Å; P672-F674 HydrophobicContact CB-CE2 3.83Å; P672-F674 HydrophobicContact CB-CZ 3.76Å; P672-F674 HydrophobicContact CG-CE2 3.99Å; P672-F674 HydrophobicContact CG-CZ 4.13Å | |
| 675 | V | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 116.4 | 168.3 | -178.4 | 0 | 0 | 0 | 0 | 109 | C121 V123 I153 I156 I173 L174 C175 T176 | C121-V675 CarbonylContact O-C 3.54Å; C121-V675 WeakPolarHBondContact O-CA 2.86Å; V123-V675 HydrophobicContact CB-CG1 4.5Å; V123-V675 HydrophobicContact CG2-CG1 3.51Å; I153-V675 HydrophobicContact CD1-CG1 4.24Å; I153-V675 HydrophobicContact CD1-CG2 3.88Å; I156-V675 HydrophobicContact CD1-CG2 3.61Å; I156-V675 HydrophobicContact CG2-CG2 4.31Å; I173-V675 HydrophobicContact CG2-CG2 4.19Å; L174-V675 PolarHBondContact O-N 2.53Å; C175-V675 WeakPolarHBondContact CA-O 2.22Å; T176-V675 PolarHBondContact N-O 3.33Å |
| 676 | R | 91.8 | Very high | 89.1 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 116.6 | -177.7 | -64.7 | -73.4 | -177.1 | -175 | -0.6 | 109.6 | F120 C121 V122 V123 T176 Q489 F492 | F120-R676 HydrophobicContact CD2-CG 4.2Å; C121-R676 PolarHBondContact O-N 2.57Å; V122-R676 CarbonylContact C-O 2.96Å; V122-R676 VanDerWaalsContact CA-O 3.28Å; V122-R676 WeakPolarHBondContact CA-O 3.09Å; V123-R676 PolarHBondContact N-O 3.42Å; T176-R676 WeakPolarHBondContact OG1-CD 2.36Å; T176-R676 PolarHBondContact OG1-NE 2.52Å; T176-R676 VanDerWaalsContact OG1-NE 3.13Å; T176-R676 PolarHBondContact OG1-NH1 3.46Å; Q489-R676 VanDerWaalsContact OE1-NH1 3.16Å; F492-R676 VanDerWaalsContact CD1-NH2 3.29Å |
| 677 | C | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 140.1 | -177.8 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | V123 T176 G177 S181 K183 N186 | V123-C677 CarbonylContact O-C 3.53Å; V123-C677 VanDerWaalsContact O-CA 3.26Å; V123-C677 WeakPolarHBondContact O-CA 3.2Å; T176-C677 WeakPolarHBondContact O-CB 3.37Å; T176-C677 PolarHBondContact O-N 3.44Å; G177-C677 WeakPolarHBondContact CA-O 3.13Å; S181-C677 WeakPolarHBondContact OG-CB 3.41Å; K183-C677 HydrophobicContact CG-CB 4.26Å; N186-C677 PolarHBondContact ND2-SG 2.5Å; N186-C677 VanDerWaalsContact ND2-SG 3.38Å |
| 678 | I | 91.4 | Very high | 89 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 140.5 | -173.2 | -59.5 | -64.5 | 0 | 0 | 0 | 107.8 | V122 V123 V124 N125 V694 Q697 L698 | V122-I678 HydrophobicContact CG1-CG1 3.76Å; V123-I678 PolarHBondContact O-N 2.83Å; V124-I678 HydrophobicContact CG2-CB 4.28Å; N125-I678 PolarHBondContact N-O 3.28Å; N125-I678 VanDerWaalsContact N-O 3.13Å; I678-V694 HydrophobicContact CG2-CB 4.45Å; I678-V694 HydrophobicContact CG2-CG1 4.02Å; I678-V694 HydrophobicContact CG2-CG2 4.15Å; I678-Q697 HydrophobicContact CD1-CB 3.95Å; I678-Q697 HydrophobicContact CG2-CB 4.43Å; I678-L698 HydrophobicContact CD1-CD2 4.35Å |
| 679 | I | 90.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | trans | -89.6 | 131.9 | 175.9 | -160.9 | 164.5 | 0 | 0 | 0 | 109.2 | Y127 L693 Q697 | Y127-I679 WeakPolarHBondContact OH-CD1 3Å; Y127-I679 VanDerWaalsContact OH-CG1 3.26Å; Y127-I679 WeakPolarHBondContact OH-CG1 3.45Å; I679-L693 HydrophobicContact CG2-CD1 4.33Å; I679-L693 HydrophobicContact CG2-CD2 3.54Å; I679-L693 HydrophobicContact CG2-CG 3.99Å; I679-Q697 PolarHBondContact O-NE2 1.88Å | ||
| 680 | P | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -79.4 | -38.1 | -175.9 | 24 | -33.8 | 0 | 0 | 0 | 112 | Y108 V124 N125 Y127 D690 | Y108-P680 HydrophobicContact CE2-CB 4.4Å; V124-P680 HydrophobicContact CG1-CB 4.05Å; N125-P680 WeakPolarHBondContact O-CD 3.2Å; N125-P680 WeakPolarHBondContact O-CG 2.79Å; Y127-P680 HydrophobicContact CD2-CG 3.71Å; Y127-P680 HydrophobicContact CE2-CG 3.31Å; P680-D690 PolarHBondContact O-N 3.13Å |
| 681 | N | 89.5 | Confident | 89.1 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.011 | 21% | 0.213 | C | C | . | . | trans | -158.3 | 157.2 | -179.8 | 59.8 | 82.1 | 0 | 0 | 0 | 109.7 | E683 K684 K685 R688 | N681-E683 VanDerWaalsContact OD1-C 3.3Å; N681-E683 PolarHBondContact OD1-N 3.4Å; N681-E683 VanDerWaalsContact OD1-N 3.1Å; N681-K684 WeakPolarHBondContact OD1-CA 3.32Å; N681-K684 PolarHBondContact OD1-N 3.22Å; N681-K685 PolarHBondContact ND2-O 3.36Å; N681-K685 PolarHBondContact OD1-N 3.21Å; N681-R688 PolarHBondContact ND2-O 2.81Å | ||
| 682 | H | 84.1 | Confident | 89.2 | Confident | 100 Ų | 100 | 40 Ų | 40 | 46% | 0.463 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 0 | -178.5 | -75.9 | -59.4 | 0 | 0 | 0 | 110.6 | K684 L693 | H682-K684 VanDerWaalsContact C-N 3.3Å; H682-L693 VanDerWaalsContact NE2-CD1 3.3Å; H682-L693 WeakPolarHBondContact NE2-CD1 3.41Å |
| 683 | E | 84.7 | Confident | 89.1 | Confident | 104 Ų | 104 | 39.2 Ų | 39.2 | 49% | 0.486 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | 0 | -7.7 | 0 | -64.2 | 178.6 | 175.7 | 0 | 0 | 110.9 | N681 K685 R688 | N681-E683 VanDerWaalsContact OD1-C 3.3Å; N681-E683 PolarHBondContact OD1-N 3.4Å; N681-E683 VanDerWaalsContact OD1-N 3.1Å; E683-K685 HydrophobicContact CB-CG 4.24Å; E683-K685 PolarHBondContact O-N 1.86Å; E683-R688 IonicContact OE1-CZ 3.3Å; E683-R688 IonicContact OE1-NH1 3.01Å; E683-R688 PolarHBondContact OE1-NH1 3.43Å; E683-R688 IonicContact OE1-NH2 3.42Å; E683-R688 PolarHBondContact OE1-NH2 2.95Å; E683-R688 IonicContact OE2-CZ 3.07Å; E683-R688 IonicContact OE2-NE 3.74Å; E683-R688 IonicContact OE2-NH1 2.9Å; E683-R688 PolarHBondContact OE2-NH1 1.69Å | |
| 684 | K | 81.4 | Confident | 89 | Confident | 63 Ų | 63 | 37.6 Ų | 37.6 | 27% | 0.274 | 20% | 0.197 | S | C | . | . | trans | 63.9 | 0 | 176.6 | -59 | 177.6 | -171.7 | 178.6 | 0 | 111.2 | I239 K240 D242 N681 H682 | I239-K684 PolarHBondContact O-NZ 2.14Å; K240-K684 WeakPolarHBondContact O-CE 3.11Å; K240-K684 PolarHBondContact O-NZ 3.26Å; D242-K684 IonicContact OD1-NZ 1.9Å; D242-K684 PolarHBondContact OD1-NZ 3.45Å; N681-K684 WeakPolarHBondContact OD1-CA 3.32Å; N681-K684 PolarHBondContact OD1-N 3.22Å; H682-K684 VanDerWaalsContact C-N 3.3Å | ||
| 685 | K | 84.9 | Confident | 88.9 | Confident | 125 Ų | 125 | 37.9 Ų | 37.9 | 54% | 0.543 | 20% | 0.199 | S | C | . | . | 0 | 133.1 | 0 | -75.3 | -170.8 | 178.3 | 179.7 | 0 | 110.2 | N681 E683 | N681-K685 PolarHBondContact ND2-O 3.36Å; N681-K685 PolarHBondContact OD1-N 3.21Å; E683-K685 HydrophobicContact CB-CG 4.24Å; E683-K685 PolarHBondContact O-N 1.86Å | |||
| 686 | P | 87.3 | Confident | 88.4 | Confident | 80 Ų | 80 | 42.7 Ų | 42.7 | 52% | 0.519 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 0 | 177.4 | 26.4 | -31.1 | 0 | 0 | 0 | 111.9 | K128 R688 | K128-P686 HydrophobicContact CB-CB 4.4Å; P686-R688 VanDerWaalsContact C-N 3.29Å; P686-R688 PolarHBondContact O-N 1.51Å |
| 687 | G | 85.2 | Confident | 88.3 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 53% | 0.526 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | 0 | -2.3 | 0 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y108 Y109 | Y108-G687 PolarHBondContact OH-N 3.44Å; Y109-G687 WeakPolarHBondContact CE1-O 2.8Å | |
| 688 | R | 90.1 | Very high | 88 | Confident | 111 Ų | 111 | 42.6 Ų | 42.6 | 42% | 0.419 | 22% | 0.221 | S | C | . | . | trans | -113.5 | 132.1 | 177.9 | -172.6 | -177.9 | -178.4 | -146.3 | 1.1 | 110 | N681 E683 P686 | N681-R688 PolarHBondContact ND2-O 2.81Å; E683-R688 IonicContact OE1-CZ 3.3Å; E683-R688 IonicContact OE1-NH1 3.01Å; E683-R688 PolarHBondContact OE1-NH1 3.43Å; E683-R688 IonicContact OE1-NH2 3.42Å; E683-R688 PolarHBondContact OE1-NH2 2.95Å; E683-R688 IonicContact OE2-CZ 3.07Å; E683-R688 IonicContact OE2-NE 3.74Å; E683-R688 IonicContact OE2-NH1 2.9Å; E683-R688 PolarHBondContact OE2-NH1 1.69Å; P686-R688 VanDerWaalsContact C-N 3.29Å; P686-R688 PolarHBondContact O-N 1.51Å | ||
| 689 | I | 91 | Very high | 87.6 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.077 | 24% | 0.242 | C | C | . | . | trans | -128.5 | 123.3 | 178.8 | -170.5 | 165 | 0 | 0 | 0 | 108.4 | K105 Y108 Y109 V694 | K105-I689 HydrophobicContact CD-CG2 4.11Å; K105-I689 HydrophobicContact CG-CG2 3.67Å; Y108-I689 HydrophobicContact CD1-CB 4.3Å; Y108-I689 HydrophobicContact CE1-CB 4.42Å; Y108-I689 HydrophobicContact CG-CD1 4.47Å; Y109-I689 HydrophobicContact CE2-CG2 4.06Å; Y109-I689 VanDerWaalsContact OH-CG2 3.32Å; Y109-I689 WeakPolarHBondContact OH-CG2 3.36Å; I689-V694 HydrophobicContact CD1-CG2 4.09Å; I689-V694 HydrophobicContact CG1-CG2 3.73Å | ||
| 690 | D | 91.3 | Very high | 86.9 | Confident | 59 Ų | 59 | 49.6 Ų | 49.6 | 32% | 0.316 | 25% | 0.251 | S | S | . | . | trans | -88.7 | 112.6 | 176.5 | -174.9 | 1 | 0 | 0 | 0 | 110.6 | P680 P692 L693 V694 | P680-D690 PolarHBondContact O-N 3.13Å; D690-P692 WeakPolarHBondContact OD1-CD 1.88Å; D690-L693 HydrophobicContact CB-CB 3.91Å; D690-L693 HydrophobicContact CB-CD2 4.42Å; D690-L693 PolarHBondContact O-N 3.49Å; D690-V694 WeakPolarHBondContact O-CG2 2.25Å; D690-V694 PolarHBondContact O-N 3.28Å; D690-V694 VanDerWaalsContact O-N 3.09Å | ||
| 691 | G | 89.5 | Confident | 86.3 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.1 | -49.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L693 V694 L695 | G691-L693 VanDerWaalsContact C-N 3.28Å; G691-L693 PolarHBondContact O-N 3.18Å; G691-V694 PolarHBondContact O-N 3.4Å; G691-L695 WeakPolarHBondContact O-CB 1.86Å; G691-L695 PolarHBondContact O-N 3.28Å |
| 692 | P | 89.8 | Confident | 85.7 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.1 | -36.4 | -176.5 | -27.9 | 34.4 | 0 | 0 | 0 | 111.6 | R41 A43 D690 E696 | R41-P692 WeakPolarHBondContact O-CD 2.22Å; A43-P692 HydrophobicContact CB-CG 4.32Å; D690-P692 WeakPolarHBondContact OD1-CD 1.88Å; P692-E696 WeakPolarHBondContact O-CB 3.32Å; P692-E696 PolarHBondContact O-N 3.27Å |
| 693 | L | 88.7 | Confident | 85.7 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 7% | 0.073 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -49.2 | 179 | 172.3 | 64.7 | 0 | 0 | 0 | 110.7 | I679 H682 D690 G691 L695 E696 Q697 | I679-L693 HydrophobicContact CG2-CD1 4.33Å; I679-L693 HydrophobicContact CG2-CD2 3.54Å; I679-L693 HydrophobicContact CG2-CG 3.99Å; H682-L693 VanDerWaalsContact NE2-CD1 3.3Å; H682-L693 WeakPolarHBondContact NE2-CD1 3.41Å; D690-L693 HydrophobicContact CB-CB 3.91Å; D690-L693 HydrophobicContact CB-CD2 4.42Å; D690-L693 PolarHBondContact O-N 3.49Å; G691-L693 VanDerWaalsContact C-N 3.28Å; G691-L693 PolarHBondContact O-N 3.18Å; L693-L695 PolarHBondContact O-N 1.42Å; L693-E696 PolarHBondContact O-N 1.9Å; L693-Q697 VanDerWaalsContact O-CG 3.32Å; L693-Q697 WeakPolarHBondContact O-CG 2.66Å; L693-Q697 PolarHBondContact O-N 3.25Å |
| 694 | V | 90.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | -178.1 | 172.4 | 0 | 0 | 0 | 0 | 109.4 | L101 I678 I689 D690 G691 E696 Q697 L698 | L101-V694 HydrophobicContact CD1-CB 3.92Å; L101-V694 HydrophobicContact CD1-CG1 3.7Å; I678-V694 HydrophobicContact CG2-CB 4.45Å; I678-V694 HydrophobicContact CG2-CG1 4.02Å; I678-V694 HydrophobicContact CG2-CG2 4.15Å; I689-V694 HydrophobicContact CD1-CG2 4.09Å; I689-V694 HydrophobicContact CG1-CG2 3.73Å; D690-V694 WeakPolarHBondContact O-CG2 2.25Å; D690-V694 PolarHBondContact O-N 3.28Å; D690-V694 VanDerWaalsContact O-N 3.09Å; G691-V694 PolarHBondContact O-N 3.4Å; V694-E696 VanDerWaalsContact C-N 3.27Å; V694-E696 PolarHBondContact O-N 1.34Å; V694-Q697 PolarHBondContact O-N 1.75Å; V694-L698 HydrophobicContact CG1-CD1 4Å; V694-L698 HydrophobicContact CG1-CG 4.17Å; V694-L698 WeakPolarHBondContact O-CG 1.89Å; V694-L698 PolarHBondContact O-N 1.35Å |
| 695 | L | 88.6 | Confident | 85.5 | Confident | 14 Ų | 14 | 39.2 Ų | 39.2 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 178.8 | -173.1 | 65.1 | 0 | 0 | 0 | 111.1 | A43 F44 E97 G691 L693 Q697 L698 R699 | A43-L695 HydrophobicContact CB-CD2 4.29Å; F44-L695 HydrophobicContact CD2-CD2 4.34Å; F44-L695 HydrophobicContact CE2-CD1 4.16Å; F44-L695 HydrophobicContact CE2-CD2 3.52Å; F44-L695 HydrophobicContact CZ-CD2 4.35Å; E97-L695 HydrophobicContact CB-CD1 3.91Å; G691-L695 WeakPolarHBondContact O-CB 1.86Å; G691-L695 PolarHBondContact O-N 3.28Å; L693-L695 PolarHBondContact O-N 1.42Å; L695-Q697 PolarHBondContact O-N 3.5Å; L695-L698 PolarHBondContact O-N 1.67Å; L695-R699 WeakPolarHBondContact O-CG 3.29Å; L695-R699 PolarHBondContact O-N 3.49Å; L695-R699 VanDerWaalsContact O-N 3.07Å |
| 696 | E | 83.9 | Confident | 85.2 | Confident | 101 Ų | 101 | 33.2 Ų | 33.2 | 47% | 0.472 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.6 | -38.1 | 178.5 | -175.2 | 176.1 | -178.7 | 0 | 0 | 110.8 | P692 L693 V694 L698 R699 C700 | P692-E696 WeakPolarHBondContact O-CB 3.32Å; P692-E696 PolarHBondContact O-N 3.27Å; L693-E696 PolarHBondContact O-N 1.9Å; V694-E696 VanDerWaalsContact C-N 3.27Å; V694-E696 PolarHBondContact O-N 1.34Å; E696-L698 VanDerWaalsContact C-N 3.28Å; E696-L698 PolarHBondContact O-N 3.46Å; E696-R699 PolarHBondContact O-N 1.87Å; E696-C700 PolarHBondContact O-N 3.3Å; E696-C700 PolarHBondContact O-SG 3.23Å |
| 697 | Q | 87.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.3 | -38.1 | -179.8 | -71.1 | -174 | 80.3 | 0 | 0 | 110.7 | E178 I678 I679 L693 V694 L695 R699 C700 N701 | E178-Q697 WeakPolarHBondContact OE1-CG 0.89Å; I678-Q697 HydrophobicContact CD1-CB 3.95Å; I678-Q697 HydrophobicContact CG2-CB 4.43Å; I679-Q697 PolarHBondContact O-NE2 1.88Å; L693-Q697 VanDerWaalsContact O-CG 3.32Å; L693-Q697 WeakPolarHBondContact O-CG 2.66Å; L693-Q697 PolarHBondContact O-N 3.25Å; V694-Q697 PolarHBondContact O-N 1.75Å; L695-Q697 PolarHBondContact O-N 3.5Å; Q697-R699 PolarHBondContact O-N 1.71Å; Q697-C700 PolarHBondContact O-N 2.85Å; Q697-N701 WeakPolarHBondContact O-CB 3.31Å; Q697-N701 PolarHBondContact O-N 3.25Å; Q697-N701 PolarHBondContact O-ND2 2Å; Q697-N701 VanDerWaalsContact O-ND2 3.12Å |
| 698 | L | 87.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67 | -31 | -179.6 | -70.3 | 175.6 | 0 | 0 | 0 | 110.6 | V100 L104 I678 V694 L695 E696 G702 V703 | V100-L698 HydrophobicContact CG1-CD1 4.03Å; L104-L698 HydrophobicContact CD1-CD1 3.88Å; L104-L698 HydrophobicContact CD1-CD2 3.97Å; L104-L698 HydrophobicContact CD1-CG 4.46Å; I678-L698 HydrophobicContact CD1-CD2 4.35Å; V694-L698 HydrophobicContact CG1-CD1 4Å; V694-L698 HydrophobicContact CG1-CG 4.17Å; V694-L698 WeakPolarHBondContact O-CG 1.89Å; V694-L698 PolarHBondContact O-N 1.35Å; L695-L698 PolarHBondContact O-N 1.67Å; E696-L698 VanDerWaalsContact C-N 3.28Å; E696-L698 PolarHBondContact O-N 3.46Å; L698-G702 PolarHBondContact O-N 3.41Å; L698-V703 HydrophobicContact CD2-CB 4.02Å; L698-V703 HydrophobicContact CD2-CG1 4.06Å; L698-V703 HydrophobicContact CD2-CG2 4.03Å; L698-V703 PolarHBondContact O-N 3.06Å; L698-V703 VanDerWaalsContact O-N 3.17Å |
| 699 | R | 82.2 | Confident | 84.1 | Confident | 118 Ų | 118 | 26 Ų | 26 | 45% | 0.445 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -75.5 | -43.5 | -179.8 | -74.1 | 179.5 | 178 | 175.4 | -1.2 | 110.7 | E97 L695 E696 Q697 N701 G702 L704 | E97-R699 IonicContact OE1-CZ 3.69Å; E97-R699 IonicContact OE1-NE 3.02Å; E97-R699 PolarHBondContact OE1-NE 3.04Å; E97-R699 VanDerWaalsContact OE1-NE 3.14Å; E97-R699 IonicContact OE1-NH2 2.91Å; E97-R699 IonicContact OE2-CZ 3.76Å; E97-R699 VanDerWaalsContact OE2-CZ 3.28Å; E97-R699 IonicContact OE2-NE 3.53Å; E97-R699 PolarHBondContact OE2-NE 3.49Å; E97-R699 IonicContact OE2-NH2 3.08Å; E97-R699 PolarHBondContact OE2-NH2 3.17Å; L695-R699 WeakPolarHBondContact O-CG 3.29Å; L695-R699 PolarHBondContact O-N 3.49Å; L695-R699 VanDerWaalsContact O-N 3.07Å; E696-R699 PolarHBondContact O-N 1.87Å; Q697-R699 PolarHBondContact O-N 1.71Å; R699-N701 PolarHBondContact O-N 2.62Å; R699-G702 PolarHBondContact O-N 2.16Å; R699-L704 HydrophobicContact CG-CD1 4.26Å |
| 700 | C | 76.7 | Confident | 83.3 | Confident | 30 Ų | 30 | 25.6 Ų | 25.6 | 20% | 0.203 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -74.6 | -27.1 | -174.4 | -66.9 | 0 | 0 | 0 | 0 | 110.3 | Y581 E696 Q697 G702 | Y581-C700 HydrophobicContact CD2-CB 3.9Å; Y581-C700 WeakPolarHBondContact CD2-O 3.17Å; Y581-C700 HydrophobicContact CE2-CB 4.18Å; Y581-C700 PolarHBondContact O-SG 3.49Å; Y581-C700 VanDerWaalsContact O-SG 3.32Å; E696-C700 PolarHBondContact O-N 3.3Å; E696-C700 PolarHBondContact O-SG 3.23Å; Q697-C700 PolarHBondContact O-N 2.85Å; C700-G702 PolarHBondContact O-N 2.12Å |
| 701 | N | 79.5 | Confident | 82.4 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -6.7 | -177.9 | -75.7 | -22.1 | 0 | 0 | 0 | 110.8 | Q489 Q697 R699 V703 | Q489-N701 PolarHBondContact NE2-O 3.39Å; Q697-N701 WeakPolarHBondContact O-CB 3.31Å; Q697-N701 PolarHBondContact O-N 3.25Å; Q697-N701 PolarHBondContact O-ND2 2Å; Q697-N701 VanDerWaalsContact O-ND2 3.12Å; R699-N701 PolarHBondContact O-N 2.62Å; N701-V703 VanDerWaalsContact C-N 3.29Å; N701-V703 HydrophobicContact CB-CG2 3.87Å; N701-V703 PolarHBondContact O-N 3.04Å |
| 702 | G | 76.7 | Confident | 81.7 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 22.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L698 R699 C700 L704 E705 G706 | L698-G702 PolarHBondContact O-N 3.41Å; R699-G702 PolarHBondContact O-N 2.16Å; C700-G702 PolarHBondContact O-N 2.12Å; G702-L704 VanDerWaalsContact C-N 3.26Å; G702-E705 WeakPolarHBondContact CA-OE2 2.1Å; G702-G706 PolarHBondContact O-N 2.17Å |
| 703 | V | 82.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.5 | -36.8 | -177.8 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | M89 F120 V122 L698 N701 E705 G706 I707 | M89-V703 HydrophobicContact CE-CG1 4.45Å; F120-V703 HydrophobicContact CE2-CB 4.36Å; F120-V703 HydrophobicContact CE2-CG1 3.79Å; F120-V703 HydrophobicContact CE2-CG2 4.22Å; F120-V703 HydrophobicContact CZ-CB 4.38Å; F120-V703 HydrophobicContact CZ-CG1 3.88Å; V122-V703 HydrophobicContact CG2-CG1 4.01Å; L698-V703 HydrophobicContact CD2-CB 4.02Å; L698-V703 HydrophobicContact CD2-CG1 4.06Å; L698-V703 HydrophobicContact CD2-CG2 4.03Å; L698-V703 PolarHBondContact O-N 3.06Å; L698-V703 VanDerWaalsContact O-N 3.17Å; N701-V703 VanDerWaalsContact C-N 3.29Å; N701-V703 HydrophobicContact CB-CG2 3.87Å; N701-V703 PolarHBondContact O-N 3.04Å; V703-E705 VanDerWaalsContact C-N 3.31Å; V703-E705 PolarHBondContact O-N 3.42Å; V703-G706 PolarHBondContact O-N 3.24Å; V703-G706 VanDerWaalsContact O-N 3.16Å; V703-I707 HydrophobicContact CG1-CD1 4.02Å; V703-I707 HydrophobicContact CG1-CG1 4.42Å; V703-I707 WeakPolarHBondContact O-CG1 2.03Å; V703-I707 PolarHBondContact O-N 3.35Å |
| 704 | L | 81.9 | Confident | 80.9 | Confident | 12 Ų | 12 | 23.6 Ų | 23.6 | 6% | 0.063 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.6 | -43.7 | -177.5 | -67.6 | 174.9 | 0 | 0 | 0 | 111 | E97 V100 R699 G702 G706 I707 R708 | E97-L704 HydrophobicContact CB-CD1 4.35Å; E97-L704 HydrophobicContact CG-CD1 3.23Å; E97-L704 HydrophobicContact CG-CD2 4.37Å; E97-L704 HydrophobicContact CG-CG 4.43Å; V100-L704 HydrophobicContact CB-CD2 4.17Å; V100-L704 HydrophobicContact CG1-CD2 4.42Å; V100-L704 HydrophobicContact CG2-CD2 3.84Å; R699-L704 HydrophobicContact CG-CD1 4.26Å; G702-L704 VanDerWaalsContact C-N 3.26Å; L704-G706 PolarHBondContact O-N 2.16Å; L704-I707 PolarHBondContact O-N 1.93Å; L704-R708 PolarHBondContact O-N 3.17Å; L704-R708 VanDerWaalsContact O-N 3.07Å |
| 705 | E | 79.8 | Confident | 80.2 | Confident | 35 Ų | 35 | 24.4 Ų | 24.4 | 16% | 0.164 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.3 | -34.5 | 178.9 | -75.2 | 78.1 | -160.9 | 0 | 0 | 110.9 | F497 F516 L518 G702 V703 I707 R708 I709 | F497-E705 HydrophobicContact CE1-CB 4.03Å; F497-E705 WeakPolarHBondContact CE1-O 3.09Å; F497-E705 HydrophobicContact CE2-CB 4.44Å; F497-E705 HydrophobicContact CZ-CB 3.61Å; F516-E705 HydrophobicContact CB-CG 4.29Å; F516-E705 HydrophobicContact CD1-CB 3.99Å; F516-E705 HydrophobicContact CD1-CG 3.87Å; F516-E705 HydrophobicContact CG-CB 4.39Å; F516-E705 HydrophobicContact CG-CG 4.4Å; L518-E705 HydrophobicContact CD1-CB 3.64Å; L518-E705 HydrophobicContact CD1-CG 3.48Å; L518-E705 VanDerWaalsContact CD1-CG 3.48Å; L518-E705 HydrophobicContact CG-CG 4.46Å; G702-E705 WeakPolarHBondContact CA-OE2 2.1Å; V703-E705 VanDerWaalsContact C-N 3.31Å; V703-E705 PolarHBondContact O-N 3.42Å; E705-I707 PolarHBondContact O-N 2.09Å; E705-R708 WeakPolarHBondContact O-CB 2.45Å; E705-R708 PolarHBondContact O-N 3.27Å; E705-R708 VanDerWaalsContact O-N 3.15Å; E705-I709 PolarHBondContact O-N 3.31Å |
| 706 | G | 79.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G702 V703 L704 R708 I709 C710 | G702-G706 PolarHBondContact O-N 2.17Å; V703-G706 PolarHBondContact O-N 3.24Å; V703-G706 VanDerWaalsContact O-N 3.16Å; L704-G706 PolarHBondContact O-N 2.16Å; G706-R708 PolarHBondContact O-N 2.52Å; G706-I709 WeakPolarHBondContact O-CG2 3.45Å; G706-I709 PolarHBondContact O-N 2.45Å; G706-C710 PolarHBondContact O-N 2.25Å; G706-C710 PolarHBondContact O-SG 2.85Å |
| 707 | I | 81.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.9 | -31.2 | -179.1 | -66.3 | 173.6 | 0 | 0 | 0 | 109.5 | M89 M95 V100 F120 V703 L704 E705 I709 C710 R711 | M89-I707 HydrophobicContact CB-CD1 3.86Å; M89-I707 HydrophobicContact CE-CD1 3.85Å; M89-I707 HydrophobicContact SD-CD1 4.18Å; M95-I707 HydrophobicContact CE-CG2 3.9Å; M95-I707 HydrophobicContact CG-CG2 4.08Å; M95-I707 HydrophobicContact SD-CB 3.85Å; M95-I707 HydrophobicContact SD-CG2 3.32Å; M95-I707 WeakPolarHBondContact SD-CG2 2.42Å; V100-I707 HydrophobicContact CG2-CD1 4.28Å; F120-I707 HydrophobicContact CZ-CG1 4.36Å; V703-I707 HydrophobicContact CG1-CD1 4.02Å; V703-I707 HydrophobicContact CG1-CG1 4.42Å; V703-I707 WeakPolarHBondContact O-CG1 2.03Å; V703-I707 PolarHBondContact O-N 3.35Å; L704-I707 PolarHBondContact O-N 1.93Å; E705-I707 PolarHBondContact O-N 2.09Å; I707-I709 VanDerWaalsContact C-N 3.33Å; I707-I709 PolarHBondContact O-N 3.49Å; I707-C710 PolarHBondContact O-N 3Å; I707-R711 PolarHBondContact O-N 3.09Å |
| 708 | R | 79.7 | Confident | 79.8 | Confident | 86 Ų | 86 | 26.4 Ų | 26.4 | 33% | 0.325 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -68.1 | -42.2 | -178.9 | -162 | -179.2 | -81.8 | 163.4 | 0.2 | 111.4 | M95 F516 L704 E705 G706 C710 R711 R712 | M95-R708 HydrophobicContact SD-CB 4.3Å; F516-R708 HydrophobicContact CE1-CB 4.15Å; F516-R708 HydrophobicContact CE1-CG 4.28Å; L704-R708 PolarHBondContact O-N 3.17Å; L704-R708 VanDerWaalsContact O-N 3.07Å; E705-R708 WeakPolarHBondContact O-CB 2.45Å; E705-R708 PolarHBondContact O-N 3.27Å; E705-R708 VanDerWaalsContact O-N 3.15Å; G706-R708 PolarHBondContact O-N 2.52Å; R708-C710 PolarHBondContact O-N 3.34Å; R708-R711 PolarHBondContact O-N 1.95Å; R708-R712 WeakPolarHBondContact O-CB 3.06Å; R708-R712 WeakPolarHBondContact O-CG 3.16Å; R708-R712 PolarHBondContact O-N 1.98Å |
| 709 | I | 77.7 | Confident | 80 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.6 | -34.4 | -179.8 | -170.2 | 69.6 | 0 | 0 | 0 | 109.5 | M496 F497 Q501 W511 F516 E705 G706 I707 R711 R712 G713 | M496-I709 HydrophobicContact CE-CG2 4.34Å; F497-I709 HydrophobicContact CD1-CB 4.03Å; F497-I709 HydrophobicContact CD1-CG1 4.38Å; F497-I709 HydrophobicContact CD1-CG2 3.99Å; F497-I709 HydrophobicContact CE1-CB 4.13Å; F497-I709 HydrophobicContact CE1-CG2 3.84Å; Q501-I709 HydrophobicContact CG-CD1 4.27Å; W511-I709 HydrophobicContact CH2-CD1 4.38Å; W511-I709 HydrophobicContact CZ2-CD1 3.96Å; F516-I709 HydrophobicContact CE2-CB 4.19Å; F516-I709 HydrophobicContact CE2-CD1 3.65Å; F516-I709 HydrophobicContact CE2-CG1 4.38Å; F516-I709 HydrophobicContact CZ-CB 4.01Å; F516-I709 HydrophobicContact CZ-CD1 3.84Å; E705-I709 PolarHBondContact O-N 3.31Å; G706-I709 WeakPolarHBondContact O-CG2 3.45Å; G706-I709 PolarHBondContact O-N 2.45Å; I707-I709 VanDerWaalsContact C-N 3.33Å; I707-I709 PolarHBondContact O-N 3.49Å; I709-R711 PolarHBondContact O-N 2.41Å; I709-R712 PolarHBondContact O-N 3.19Å; I709-G713 WeakPolarHBondContact O-CA 3.26Å; I709-G713 PolarHBondContact O-N 3.28Å |
| 710 | C | 74.1 | Confident | 80.5 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.034 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70 | -28.5 | -179.2 | -71.6 | 0 | 0 | 0 | 0 | 110.2 | G706 I707 R708 | G706-C710 PolarHBondContact O-N 2.25Å; G706-C710 PolarHBondContact O-SG 2.85Å; I707-C710 PolarHBondContact O-N 3Å; R708-C710 PolarHBondContact O-N 3.34Å |
| 711 | R | 73.2 | Confident | 81 | Confident | 24 Ų | 24 | 31.6 Ų | 31.6 | 9% | 0.091 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -81 | -42.3 | -179.6 | -171.6 | 173 | 168.1 | 163.5 | -1.3 | 111.1 | L92 S93 M95 I707 R708 I709 G713 | L92-R711 PolarHBondContact O-NH1 2.52Å; S93-R711 PolarHBondContact O-NH1 3.33Å; S93-R711 PolarHBondContact O-NH2 2.91Å; M95-R711 HydrophobicContact CE-CB 3.9Å; M95-R711 HydrophobicContact CE-CG 4.17Å; I707-R711 PolarHBondContact O-N 3.09Å; R708-R711 PolarHBondContact O-N 1.95Å; I709-R711 PolarHBondContact O-N 2.41Å; R711-G713 VanDerWaalsContact C-N 3.3Å |
| 712 | R | 75.5 | Confident | 81.5 | Confident | 43 Ų | 43 | 34.1 Ų | 34.1 | 16% | 0.162 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -80 | -31.3 | -177.4 | -72.9 | -168.8 | 179.1 | -176.8 | 0.7 | 111 | W511 R708 I709 M1431 | W511-R712 HydrophobicContact CH2-CB 3.86Å; W511-R712 HydrophobicContact CZ3-CB 4.33Å; W511-R712 WeakPolarHBondContact CZ3-O 3.39Å; R708-R712 WeakPolarHBondContact O-CB 3.06Å; R708-R712 WeakPolarHBondContact O-CG 3.16Å; R708-R712 PolarHBondContact O-N 1.98Å; I709-R712 PolarHBondContact O-N 3.19Å; R712-M1431 PolarHBondContact NH2-SD 3.4Å |
| 713 | G | 77.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -87 | -177.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I709 R711 P715 | I709-G713 WeakPolarHBondContact O-CA 3.26Å; I709-G713 PolarHBondContact O-N 3.28Å; R711-G713 VanDerWaalsContact C-N 3.3Å; G713-P715 VanDerWaalsContact C-CD 3.45Å; G713-P715 WeakPolarHBondContact O-CD 3.36Å |
| 714 | F | 83.6 | Confident | 82.5 | Confident | 18 Ų | 18 | 37 Ų | 37 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | trans | -114.3 | 79.9 | 176 | -59.9 | -88.9 | 0 | 0 | 0 | 110.3 | Y504 S716 C761 F768 F769 K770 | Y504-F714 HydrophobicContact CE1-CB 4.2Å; Y504-F714 WeakPolarHBondContact OH-CA 3.06Å; Y504-F714 PolarHBondContact OH-N 1.94Å; Y504-F714 PolarHBondContact OH-O 2.12Å; F714-S716 PolarHBondContact O-N 2.32Å; F714-C761 HydrophobicContact CD2-CB 4.49Å; F714-C761 HydrophobicContact CE1-CB 4.3Å; F714-C761 VanDerWaalsContact CE1-SG 3.56Å; F714-C761 HydrophobicContact CE2-CB 4.25Å; F714-C761 WeakPolarHBondContact CE2-SG 3.41Å; F714-C761 HydrophobicContact CZ-CB 4.15Å; F714-C761 WeakPolarHBondContact CZ-SG 3.17Å; F714-F768 HydrophobicContact CB-CB 3.33Å; F714-F768 HydrophobicContact CB-CD1 4.2Å; F714-F768 HydrophobicContact CB-CG 4.22Å; F714-F768 HydrophobicContact CD1-CB 4.38Å; F714-F768 HydrophobicContact CG-CB 3.89Å; F714-F769 CarbonylContact C-O 3.42Å; F714-F769 WeakPolarHBondContact CA-O 2.11Å; F714-K770 HydrophobicContact CD1-CG 3.87Å; F714-K770 HydrophobicContact CE1-CG 3.89Å | ||
| 715 | P | 74.8 | Confident | 82.7 | Confident | 16 Ų | 16 | 43.9 Ų | 43.9 | 10% | 0.104 | 20% | 0.198 | C | C | . | . | trans | -68 | -21 | -169 | 17.2 | -23 | 0 | 0 | 0 | 111.8 | L119 G713 F769 V771 | L119-P715 HydrophobicContact CD1-CB 4.11Å; L119-P715 HydrophobicContact CD2-CB 3.93Å; L119-P715 HydrophobicContact CG-CB 4.15Å; G713-P715 VanDerWaalsContact C-CD 3.45Å; G713-P715 WeakPolarHBondContact O-CD 3.36Å; P715-F769 WeakPolarHBondContact CD-O 2.8Å; P715-V771 HydrophobicContact CB-CG2 4.18Å; P715-V771 HydrophobicContact CG-CB 4.32Å; P715-V771 HydrophobicContact CG-CG2 2.98Å | ||
| 716 | S | 78.8 | Confident | 83.1 | Confident | 32 Ų | 32 | 45 Ų | 45 | 22% | 0.224 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.9 | -179.8 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | F714 F768 F769 | F714-S716 PolarHBondContact O-N 2.32Å; S716-F768 CarbonylContact O-C 3.5Å; S716-F768 VanDerWaalsContact O-CA 3.23Å; S716-F768 WeakPolarHBondContact O-CA 3.08Å; S716-F769 PolarHBondContact N-O 2.25Å; S716-F769 PolarHBondContact O-N 3.42Å |
| 717 | R | 86.7 | Confident | 83.7 | Confident | 119 Ų | 119 | 45.2 Ų | 45.2 | 45% | 0.449 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 143.5 | -179.2 | 55 | -169.8 | 171 | -176.3 | 1.1 | 109.7 | E503 I767 F768 | E503-R717 VanDerWaalsContact CD-NH1 3.3Å; E503-R717 IonicContact OE1-NH1 3.57Å; E503-R717 IonicContact OE2-NH1 2.12Å; R717-I767 CarbonylContact C-O 3.4Å; R717-I767 WeakPolarHBondContact CA-O 2.94Å; R717-F768 HydrophobicContact CB-CD1 4.04Å; R717-F768 HydrophobicContact CB-CE1 4.07Å |
| 718 | I | 87.7 | Confident | 84.1 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 138.3 | -179.7 | -170.5 | 163.9 | 0 | 0 | 0 | 108.3 | E722 F723 Y727 K766 I767 F769 | I718-E722 HydrophobicContact CD1-CB 4.34Å; I718-E722 HydrophobicContact CD1-CG 3.99Å; I718-E722 HydrophobicContact CG1-CB 3.89Å; I718-E722 HydrophobicContact CG1-CG 3.95Å; I718-F723 HydrophobicContact CD1-CB 4.17Å; I718-F723 HydrophobicContact CD1-CD2 4.21Å; I718-F723 HydrophobicContact CG1-CB 4.24Å; I718-F723 HydrophobicContact CG2-CB 3.81Å; I718-F723 HydrophobicContact CG2-CD2 3.59Å; I718-F723 HydrophobicContact CG2-CG 4.1Å; I718-Y727 HydrophobicContact CD1-CE2 3.8Å; I718-K766 CarbonylContact O-C 3.41Å; I718-K766 VanDerWaalsContact O-CA 3.28Å; I718-K766 WeakPolarHBondContact O-CA 3.31Å; I718-K766 WeakPolarHBondContact O-CB 3.14Å; I718-I767 HydrophobicContact CG2-CB 3.88Å; I718-I767 HydrophobicContact CG2-CD1 4.46Å; I718-I767 PolarHBondContact N-O 3.48Å; I718-I767 PolarHBondContact O-N 3.27Å; I718-F769 HydrophobicContact CG2-CD2 4.38Å; I718-F769 HydrophobicContact CG2-CE2 3.68Å |
| 719 | L | 90.8 | Very high | 84.5 | Confident | 83 Ų | 83 | 48 Ų | 48 | 44% | 0.435 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 152.7 | 177.3 | -71.9 | 165 | 0 | 0 | 0 | 110.8 | Q721 E722 F723 K766 | L719-Q721 PolarHBondContact O-N 3.12Å; L719-E722 HydrophobicContact CB-CB 4.11Å; L719-E722 PolarHBondContact O-N 2.28Å; L719-F723 WeakPolarHBondContact O-CB 3.21Å; L719-F723 PolarHBondContact O-N 2.16Å; L719-K766 HydrophobicContact CD2-CD 4.2Å; L719-K766 HydrophobicContact CD2-CG 3.55Å; L719-K766 HydrophobicContact CG-CG 4.3Å |
| 720 | F | 92.1 | Very high | 85.1 | Confident | 18 Ų | 18 | 49 Ų | 49 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | -175.9 | -68 | -28.9 | 0 | 0 | 0 | 110.9 | E722 F723 R724 R743 V746 I762 G763 H764 S765 K766 I767 | F720-E722 PolarHBondContact O-N 3.44Å; F720-F723 PolarHBondContact O-N 3.25Å; F720-R724 WeakPolarHBondContact O-CB 3.11Å; F720-R724 PolarHBondContact O-N 2Å; F720-R743 HydrophobicContact CD2-CB 4.11Å; F720-R743 HydrophobicContact CE2-CB 3.7Å; F720-R743 HydrophobicContact CE2-CG 4.03Å; F720-R743 HydrophobicContact CZ-CB 4.25Å; F720-R743 HydrophobicContact CZ-CG 4.1Å; F720-V746 HydrophobicContact CB-CG2 3.79Å; F720-V746 HydrophobicContact CD1-CB 4.26Å; F720-V746 HydrophobicContact CD1-CG1 4.48Å; F720-V746 HydrophobicContact CD1-CG2 3.82Å; F720-V746 HydrophobicContact CG-CG2 4.08Å; F720-I762 HydrophobicContact CE1-CG2 4.06Å; F720-I762 HydrophobicContact CZ-CG2 3.88Å; F720-G763 VanDerWaalsContact CZ-O 3.3Å; F720-G763 WeakPolarHBondContact CZ-O 3.04Å; F720-H764 WeakPolarHBondContact CE2-O 3.14Å; F720-S765 VanDerWaalsContact CD2-O 3.29Å; F720-S765 WeakPolarHBondContact CD2-O 3.28Å; F720-S765 VanDerWaalsContact CE2-CA 3.42Å; F720-S765 VanDerWaalsContact CG-O 3.31Å; F720-S765 WeakPolarHBondContact CG-O 3.44Å; F720-S765 PolarHBondContact N-O 3.46Å; F720-K766 VanDerWaalsContact CE1-O 3.29Å; F720-K766 WeakPolarHBondContact CE1-O 2.71Å; F720-I767 HydrophobicContact CD1-CD1 3.95Å; F720-I767 HydrophobicContact CD1-CG1 3.44Å; F720-I767 VanDerWaalsContact CD1-CG1 3.44Å; F720-I767 HydrophobicContact CE1-CD1 4.25Å; F720-I767 HydrophobicContact CE1-CG1 3.32Å |
| 721 | Q | 88.4 | Confident | 85.7 | Confident | 155 Ų | 155 | 49.1 Ų | 49.1 | 72% | 0.724 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -65.9 | -39.9 | -177.4 | -177.4 | 177.3 | -0.1 | 0 | 0 | 110.9 | L719 F723 R724 Q725 | L719-Q721 PolarHBondContact O-N 3.12Å; Q721-F723 VanDerWaalsContact C-N 3.29Å; Q721-R724 PolarHBondContact O-N 2.43Å; Q721-Q725 WeakPolarHBondContact O-CB 3.15Å; Q721-Q725 PolarHBondContact O-N 2.38Å |
| 722 | E | 88.8 | Confident | 86.2 | Confident | 56 Ų | 56 | 52.2 Ų | 52.2 | 26% | 0.262 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.3 | -39.6 | 179.6 | -171.6 | 174.2 | 175.1 | 0 | 0 | 111.1 | I718 L719 F720 R724 Q725 R726 | I718-E722 HydrophobicContact CD1-CB 4.34Å; I718-E722 HydrophobicContact CD1-CG 3.99Å; I718-E722 HydrophobicContact CG1-CB 3.89Å; I718-E722 HydrophobicContact CG1-CG 3.95Å; L719-E722 HydrophobicContact CB-CB 4.11Å; L719-E722 PolarHBondContact O-N 2.28Å; F720-E722 PolarHBondContact O-N 3.44Å; E722-R724 PolarHBondContact O-N 3.14Å; E722-Q725 PolarHBondContact O-N 2.39Å; E722-R726 VanDerWaalsContact O-CB 3.26Å; E722-R726 WeakPolarHBondContact O-CB 3.46Å; E722-R726 PolarHBondContact O-N 2.84Å; E722-R726 IonicContact OE1-CZ 3.28Å; E722-R726 IonicContact OE1-NE 3.82Å; E722-R726 IonicContact OE1-NH1 2.83Å; E722-R726 PolarHBondContact OE1-NH1 2Å; E722-R726 IonicContact OE1-NH2 3.62Å; E722-R726 PolarHBondContact OE1-NH2 3.36Å; E722-R726 VanDerWaalsContact OE1-NH2 3.08Å |
| 723 | F | 91.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 179.9 | -174.5 | -96.9 | 0 | 0 | 0 | 110.6 | I718 L719 F720 Q721 R726 Y727 V746 M749 L750 L753 I767 F769 L777 | I718-F723 HydrophobicContact CD1-CB 4.17Å; I718-F723 HydrophobicContact CD1-CD2 4.21Å; I718-F723 HydrophobicContact CG1-CB 4.24Å; I718-F723 HydrophobicContact CG2-CB 3.81Å; I718-F723 HydrophobicContact CG2-CD2 3.59Å; I718-F723 HydrophobicContact CG2-CG 4.1Å; L719-F723 WeakPolarHBondContact O-CB 3.21Å; L719-F723 PolarHBondContact O-N 2.16Å; F720-F723 PolarHBondContact O-N 3.25Å; Q721-F723 VanDerWaalsContact C-N 3.29Å; F723-R726 PolarHBondContact O-N 3.34Å; F723-Y727 HydrophobicContact CB-CD2 4.47Å; F723-Y727 HydrophobicContact CD1-CD2 4.31Å; F723-Y727 AromaticContact CD2-CD2 3.23Å; F723-Y727 HydrophobicContact CD2-CD2 3.23Å; F723-Y727 AromaticContact CD2-CE2 3.47Å; F723-Y727 HydrophobicContact CD2-CE2 3.47Å; F723-Y727 VanDerWaalsContact CD2-CE2 3.47Å; F723-Y727 HydrophobicContact CD2-CG 4.38Å; F723-Y727 HydrophobicContact CE1-CD2 4.4Å; F723-Y727 AromaticContact CE2-CD2 3.35Å; F723-Y727 HydrophobicContact CE2-CD2 3.35Å; F723-Y727 AromaticContact CE2-CE2 3.68Å; F723-Y727 HydrophobicContact CE2-CE2 3.68Å; F723-Y727 HydrophobicContact CE2-CG 4.18Å; F723-Y727 AromaticContact CG-CD2 3.75Å; F723-Y727 HydrophobicContact CG-CD2 3.75Å; F723-Y727 HydrophobicContact CG-CE2 4.33Å; F723-Y727 AromaticContact CZ-CD2 3.97Å; F723-Y727 HydrophobicContact CZ-CD2 3.97Å; F723-Y727 HydrophobicContact CZ-CG 4.45Å; F723-Y727 WeakPolarHBondContact O-CB 3.22Å; F723-Y727 VanDerWaalsContact O-CD2 3.3Å; F723-Y727 WeakPolarHBondContact O-CD2 2.96Å; F723-Y727 PolarHBondContact O-N 3.38Å; F723-V746 HydrophobicContact CB-CG2 4.48Å; F723-V746 HydrophobicContact CD1-CG1 3.89Å; F723-V746 HydrophobicContact CD1-CG2 4.14Å; F723-V746 HydrophobicContact CE1-CG1 4.14Å; F723-M749 HydrophobicContact CD1-CE 4.29Å; F723-M749 HydrophobicContact CE1-CB 4.34Å; F723-M749 HydrophobicContact CE1-CE 4.22Å; F723-L750 HydrophobicContact CE1-CD2 4.14Å; F723-L750 HydrophobicContact CE1-CG 4.42Å; F723-L750 HydrophobicContact CZ-CD2 3.74Å; F723-L753 HydrophobicContact CE1-CD1 4.41Å; F723-L753 HydrophobicContact CZ-CD1 3.99Å; F723-I767 HydrophobicContact CB-CD1 3.96Å; F723-I767 HydrophobicContact CD1-CD1 3.77Å; F723-I767 HydrophobicContact CD2-CD1 4.11Å; F723-I767 HydrophobicContact CE1-CD1 4.26Å; F723-I767 HydrophobicContact CG-CD1 3.69Å; F723-F769 HydrophobicContact CD2-CE2 4.05Å; F723-F769 HydrophobicContact CD2-CZ 4.02Å; F723-F769 HydrophobicContact CE2-CE1 4.44Å; F723-F769 AromaticContact CE2-CE2 3.82Å; F723-F769 HydrophobicContact CE2-CE2 3.82Å; F723-F769 AromaticContact CE2-CZ 3.36Å; F723-F769 HydrophobicContact CE2-CZ 3.36Å; F723-F769 HydrophobicContact CZ-CZ 4.01Å; F723-L777 HydrophobicContact CE2-CD1 3.93Å; F723-L777 HydrophobicContact CZ-CD1 4.27Å |
| 724 | R | 88.9 | Confident | 87 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 23% | 0.234 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 179.8 | -177.9 | -179.6 | 167.9 | -175.6 | 1.1 | 111.3 | F720 Q721 E722 R726 E728 I735 M749 | F720-R724 WeakPolarHBondContact O-CB 3.11Å; F720-R724 PolarHBondContact O-N 2Å; Q721-R724 PolarHBondContact O-N 2.43Å; E722-R724 PolarHBondContact O-N 3.14Å; R724-R726 PolarHBondContact O-N 2.86Å; R724-E728 WeakPolarHBondContact O-CA 3.1Å; R724-E728 WeakPolarHBondContact O-CB 3.39Å; R724-E728 PolarHBondContact O-N 2.36Å; R724-I735 HydrophobicContact CG-CD1 3.78Å; R724-M749 HydrophobicContact CB-SD 4.12Å; R724-M749 HydrophobicContact CG-SD 3.93Å |
| 725 | Q | 86.5 | Confident | 86.9 | Confident | 157 Ų | 157 | 60 Ų | 60 | 73% | 0.734 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.2 | -32.7 | -177.6 | -174.3 | 175.4 | 9 | 0 | 0 | 110.5 | Q721 E722 | Q721-Q725 WeakPolarHBondContact O-CB 3.15Å; Q721-Q725 PolarHBondContact O-N 2.38Å; E722-Q725 PolarHBondContact O-N 2.39Å |
| 726 | R | 88.7 | Confident | 87.1 | Confident | 59 Ų | 59 | 62.9 Ų | 62.9 | 22% | 0.223 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -87.6 | 0 | -171.3 | -91.5 | -175 | -178.4 | 174.9 | 0.7 | 110.3 | Q166 E722 F723 R724 R781 | Q166-R726 VanDerWaalsContact NE2-NH1 3.17Å; Q166-R726 CovalentContact NE2-NH2 1.75Å; E722-R726 VanDerWaalsContact O-CB 3.26Å; E722-R726 WeakPolarHBondContact O-CB 3.46Å; E722-R726 PolarHBondContact O-N 2.84Å; E722-R726 IonicContact OE1-CZ 3.28Å; E722-R726 IonicContact OE1-NE 3.82Å; E722-R726 IonicContact OE1-NH1 2.83Å; E722-R726 PolarHBondContact OE1-NH1 2Å; E722-R726 IonicContact OE1-NH2 3.62Å; E722-R726 PolarHBondContact OE1-NH2 3.36Å; E722-R726 VanDerWaalsContact OE1-NH2 3.08Å; F723-R726 PolarHBondContact O-N 3.34Å; R724-R726 PolarHBondContact O-N 2.86Å; R726-R781 VanDerWaalsContact O-CD 3.28Å; R726-R781 WeakPolarHBondContact O-CD 3.26Å; R726-R781 PolarHBondContact O-NE 3.48Å |
| 727 | Y | 91 | Very high | 87.1 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 1% | 0.012 | 35% | 0.351 | C | S | . | . | H | α-helix | 0 | 7.1 | 0 | -64.1 | -69.1 | 0 | 0 | 0 | 109.6 | I718 F723 I729 L730 L774 L777 E778 | I718-Y727 HydrophobicContact CD1-CE2 3.8Å; F723-Y727 HydrophobicContact CB-CD2 4.47Å; F723-Y727 HydrophobicContact CD1-CD2 4.31Å; F723-Y727 AromaticContact CD2-CD2 3.23Å; F723-Y727 HydrophobicContact CD2-CD2 3.23Å; F723-Y727 AromaticContact CD2-CE2 3.47Å; F723-Y727 HydrophobicContact CD2-CE2 3.47Å; F723-Y727 VanDerWaalsContact CD2-CE2 3.47Å; F723-Y727 HydrophobicContact CD2-CG 4.38Å; F723-Y727 HydrophobicContact CE1-CD2 4.4Å; F723-Y727 AromaticContact CE2-CD2 3.35Å; F723-Y727 HydrophobicContact CE2-CD2 3.35Å; F723-Y727 AromaticContact CE2-CE2 3.68Å; F723-Y727 HydrophobicContact CE2-CE2 3.68Å; F723-Y727 HydrophobicContact CE2-CG 4.18Å; F723-Y727 AromaticContact CG-CD2 3.75Å; F723-Y727 HydrophobicContact CG-CD2 3.75Å; F723-Y727 HydrophobicContact CG-CE2 4.33Å; F723-Y727 AromaticContact CZ-CD2 3.97Å; F723-Y727 HydrophobicContact CZ-CD2 3.97Å; F723-Y727 HydrophobicContact CZ-CG 4.45Å; F723-Y727 WeakPolarHBondContact O-CB 3.22Å; F723-Y727 VanDerWaalsContact O-CD2 3.3Å; F723-Y727 WeakPolarHBondContact O-CD2 2.96Å; F723-Y727 PolarHBondContact O-N 3.38Å; Y727-I729 PolarHBondContact O-N 2.85Å; Y727-I729 VanDerWaalsContact O-N 3.17Å; Y727-L730 HydrophobicContact CD1-CD1 3.95Å; Y727-L730 WeakPolarHBondContact O-CA 2.84Å; Y727-L730 VanDerWaalsContact O-CB 3.23Å; Y727-L730 WeakPolarHBondContact O-CB 3.41Å; Y727-L730 PolarHBondContact O-N 3.31Å; Y727-L774 HydrophobicContact CE2-CD2 4.3Å; Y727-L777 HydrophobicContact CD1-CB 4.03Å; Y727-L777 HydrophobicContact CE1-CB 3.59Å; Y727-E778 HydrophobicContact CE1-CG 4.32Å; Y727-E778 PolarHBondContact OH-OE1 3.39Å; Y727-E778 VanDerWaalsContact OH-OE1 3.09Å | |
| 728 | E | 89.7 | Confident | 86.6 | Confident | 72 Ų | 72 | 68.6 Ų | 68.6 | 34% | 0.336 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -63.1 | -27.6 | 177.1 | -177.1 | 174.5 | -176.9 | 0 | 0 | 110.6 | R724 L730 T731 M749 | R724-E728 WeakPolarHBondContact O-CA 3.1Å; R724-E728 WeakPolarHBondContact O-CB 3.39Å; R724-E728 PolarHBondContact O-N 2.36Å; E728-L730 PolarHBondContact O-N 3.39Å; E728-T731 CarbonylContact O-C 3.4Å; E728-T731 PolarHBondContact O-N 2.82Å; E728-T731 PolarHBondContact O-OG1 3.32Å; E728-M749 HydrophobicContact CB-CE 4.17Å |
| 729 | I | 89.5 | Confident | 86.1 | Confident | 74 Ų | 74 | 77.7 Ų | 77.7 | 38% | 0.379 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -60.3 | -25.4 | 179.8 | -171.5 | 166.7 | 0 | 0 | 0 | 109.9 | Y727 T731 R781 L785 | Y727-I729 PolarHBondContact O-N 2.85Å; Y727-I729 VanDerWaalsContact O-N 3.17Å; I729-T731 VanDerWaalsContact C-N 3.31Å; I729-R781 HydrophobicContact CG2-CG 3.76Å; I729-L785 HydrophobicContact CD1-CD2 3.22Å; I729-L785 HydrophobicContact CD1-CG 3.98Å |
| 730 | L | 88.8 | Confident | 85.6 | Confident | 26 Ų | 26 | 76 Ų | 76 | 14% | 0.136 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -84.2 | -15.8 | 180 | -62.6 | 178.4 | 0 | 0 | 0 | 110.9 | Y727 E728 P732 L753 L777 D780 R781 H784 | Y727-L730 HydrophobicContact CD1-CD1 3.95Å; Y727-L730 WeakPolarHBondContact O-CA 2.84Å; Y727-L730 VanDerWaalsContact O-CB 3.23Å; Y727-L730 WeakPolarHBondContact O-CB 3.41Å; Y727-L730 PolarHBondContact O-N 3.31Å; E728-L730 PolarHBondContact O-N 3.39Å; L730-P732 VanDerWaalsContact C-CD 3.4Å; L730-P732 WeakPolarHBondContact O-CD 3.06Å; L730-L753 HydrophobicContact CB-CD2 3.87Å; L730-L753 HydrophobicContact CD1-CD2 4.27Å; L730-L777 HydrophobicContact CD1-CD2 4.32Å; L730-D780 HydrophobicContact CD1-CB 4.21Å; L730-D780 HydrophobicContact CD2-CB 4.16Å; L730-R781 HydrophobicContact CD1-CB 4.36Å; L730-R781 HydrophobicContact CD2-CB 4.35Å; L730-R781 HydrophobicContact CG-CB 4.45Å; L730-H784 HydrophobicContact CD2-CB 4.37Å; L730-H784 WeakPolarHBondContact CD2-CD2 2.73Å |
| 731 | T | 88.2 | Confident | 85.3 | Confident | 7 Ų | 7 | 79.4 Ų | 79.4 | 4% | 0.043 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -128.1 | 0 | -178.8 | 50.5 | 0 | 0 | 0 | 0 | 109 | E728 I729 A752 L753 | E728-T731 CarbonylContact O-C 3.4Å; E728-T731 PolarHBondContact O-N 2.82Å; E728-T731 PolarHBondContact O-OG1 3.32Å; I729-T731 VanDerWaalsContact C-N 3.31Å; T731-A752 HydrophobicContact CG2-CB 3.76Å; T731-L753 HydrophobicContact CG2-CD2 3.81Å; T731-L753 HydrophobicContact CG2-CG 3.73Å |
| 732 | P | 83.4 | Confident | 85.2 | Confident | 89 Ų | 89 | 73.2 Ų | 73.2 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 21.6 | -24.6 | 0 | 0 | 0 | 111.7 | L730 V734 | L730-P732 VanDerWaalsContact C-CD 3.4Å; L730-P732 WeakPolarHBondContact O-CD 3.06Å; P732-V734 PolarHBondContact O-N 2.78Å | |
| 733 | N | 83.3 | Confident | 85.2 | Confident | 166 Ų | 166 | 76.2 Ų | 76.2 | 89% | 0.888 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -62.1 | -29.7 | 0 | 0 | 0 | 111.3 | |||
| 734 | V | 85.4 | Confident | 85 | Confident | 47 Ų | 47 | 83 Ų | 83 | 29% | 0.285 | 42% | 0.417 | S | S | . | . | S | Bend | 0 | -34.5 | 0 | 173.4 | 0 | 0 | 0 | 0 | 109.5 | P732 P736 E748 A752 | P732-V734 PolarHBondContact O-N 2.78Å; V734-P736 WeakPolarHBondContact O-CD 2.85Å; V734-E748 HydrophobicContact CG1-CB 3.91Å; V734-A752 HydrophobicContact CG1-CB 4.35Å; V734-A752 HydrophobicContact CG2-CB 3.71Å | |
| 735 | I | 82.9 | Confident | 85 | Confident | 11 Ų | 11 | 80.1 Ų | 80.1 | 6% | 0.056 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -101.2 | 122.3 | 179.7 | -59.9 | 174.9 | 0 | 0 | 0 | 108.3 | R724 M740 A745 M749 | R724-I735 HydrophobicContact CG-CD1 3.78Å; I735-M740 HydrophobicContact CG2-CE 4.35Å; I735-M740 HydrophobicContact CG2-SD 4.49Å; I735-A745 HydrophobicContact CD1-CB 4.04Å; I735-M749 HydrophobicContact CD1-CG 3.58Å; I735-M749 HydrophobicContact CD1-SD 3.36Å; I735-M749 WeakPolarHBondContact CD1-SD 3.47Å; I735-M749 HydrophobicContact CG1-CG 4.02Å; I735-M749 HydrophobicContact CG1-SD 4.45Å |
| 736 | P | 79 | Confident | 85.2 | Confident | 76 Ų | 76 | 72.6 Ų | 72.6 | 49% | 0.494 | 37% | 0.371 | S | S | . | . | trans | -62 | 139.1 | 178.4 | -13.3 | 18.9 | 0 | 0 | 0 | 111.7 | V734 G738 M740 | V734-P736 WeakPolarHBondContact O-CD 2.85Å; P736-G738 PolarHBondContact O-N 3.4Å; P736-G738 VanDerWaalsContact O-O 3.11Å; P736-M740 HydrophobicContact CG-CE 3.52Å | ||
| 737 | K | 78.1 | Confident | 85.2 | Confident | 228 Ų | 228 | 71.5 Ų | 71.5 | 99% | 0.991 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -53.6 | -2.1 | -174.9 | -72.2 | -170.5 | -179.1 | 179.4 | 0 | 110.8 | ||
| 738 | G | 75.3 | Confident | 85.1 | Confident | 44 Ų | 44 | 75.4 Ų | 75.4 | 45% | 0.454 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -93.5 | 0 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P736 M740 | P736-G738 PolarHBondContact O-N 3.4Å; P736-G738 VanDerWaalsContact O-O 3.11Å; G738-M740 PolarHBondContact O-N 2.88Å |
| 739 | F | 77.5 | Confident | 85.2 | Confident | 199 Ų | 199 | 72 Ų | 72 | 87% | 0.873 | 37% | 0.373 | S | S | * | . | 0 | 125.6 | 0 | 177.5 | -98.3 | 0 | 0 | 0 | 110.8 | |||||
| 740 | M | 81.3 | Confident | 85.2 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 23% | 0.227 | 36% | 0.355 | C | S | . | . | trans | -128.8 | 140.6 | 173.3 | -175.8 | -178.5 | -61.7 | 0 | 0 | 109.5 | I735 P736 G738 G742 K744 A745 | I735-M740 HydrophobicContact CG2-CE 4.35Å; I735-M740 HydrophobicContact CG2-SD 4.49Å; P736-M740 HydrophobicContact CG-CE 3.52Å; G738-M740 PolarHBondContact O-N 2.88Å; M740-G742 PolarHBondContact O-N 3.34Å; M740-K744 HydrophobicContact CG-CB 4.2Å; M740-K744 HydrophobicContact SD-CB 4.47Å; M740-A745 HydrophobicContact CG-CB 4.39Å; M740-A745 HydrophobicContact SD-CB 4.09Å | ||
| 741 | D | 85.4 | Confident | 85.2 | Confident | 91 Ų | 91 | 73 Ų | 73 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | trans | -53.3 | 132.6 | 178.5 | -175 | 39.9 | 0 | 0 | 0 | 111.1 | R743 K744 A745 | D741-R743 PolarHBondContact O-N 3.42Å; D741-K744 HydrophobicContact CB-CB 4.26Å; D741-K744 HydrophobicContact CB-CG 4.37Å; D741-K744 PolarHBondContact O-N 3.34Å; D741-K744 VanDerWaalsContact O-N 3.14Å; D741-A745 WeakPolarHBondContact O-CB 3.1Å; D741-A745 PolarHBondContact O-N 2.88Å | ||
| 742 | G | 86.2 | Confident | 85.2 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 25% | 0.247 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -51.7 | -39.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M740 A745 V746 | M740-G742 PolarHBondContact O-N 3.34Å; G742-A745 PolarHBondContact O-N 2.69Å; G742-V746 WeakPolarHBondContact O-CB 2.7Å; G742-V746 WeakPolarHBondContact O-CG2 3Å; G742-V746 PolarHBondContact O-N 3.24Å |
| 743 | R | 88.3 | Confident | 85.4 | Confident | 119 Ų | 119 | 72.5 Ų | 72.5 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.8 | -44.7 | -178.2 | -175.1 | 175.6 | -174.7 | -168.3 | 2.7 | 110.9 | F720 D741 A745 V746 T747 I762 | F720-R743 HydrophobicContact CD2-CB 4.11Å; F720-R743 HydrophobicContact CE2-CB 3.7Å; F720-R743 HydrophobicContact CE2-CG 4.03Å; F720-R743 HydrophobicContact CZ-CB 4.25Å; F720-R743 HydrophobicContact CZ-CG 4.1Å; D741-R743 PolarHBondContact O-N 3.42Å; R743-A745 PolarHBondContact O-N 2.89Å; R743-V746 PolarHBondContact O-N 3.37Å; R743-T747 PolarHBondContact O-N 3.47Å; R743-T747 PolarHBondContact O-OG1 2.99Å; R743-I762 HydrophobicContact CG-CG2 4.05Å |
| 744 | K | 88.3 | Confident | 85.5 | Confident | 144 Ų | 144 | 71 Ų | 71 | 63% | 0.626 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66 | -37.2 | 178.7 | -78.7 | -171.4 | -174.7 | 178 | 0 | 110.8 | M740 D741 V746 T747 E748 | M740-K744 HydrophobicContact CG-CB 4.2Å; M740-K744 HydrophobicContact SD-CB 4.47Å; D741-K744 HydrophobicContact CB-CB 4.26Å; D741-K744 HydrophobicContact CB-CG 4.37Å; D741-K744 PolarHBondContact O-N 3.34Å; D741-K744 VanDerWaalsContact O-N 3.14Å; K744-V746 VanDerWaalsContact C-N 3.28Å; K744-V746 PolarHBondContact O-N 2.68Å; K744-T747 PolarHBondContact O-N 3.35Å; K744-E748 WeakPolarHBondContact O-CG 2.97Å; K744-E748 PolarHBondContact O-N 2.84Å; K744-E748 VanDerWaalsContact O-N 3.08Å |
| 745 | A | 88.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I735 M740 D741 G742 R743 T747 E748 M749 | I735-A745 HydrophobicContact CD1-CB 4.04Å; M740-A745 HydrophobicContact CG-CB 4.39Å; M740-A745 HydrophobicContact SD-CB 4.09Å; D741-A745 WeakPolarHBondContact O-CB 3.1Å; D741-A745 PolarHBondContact O-N 2.88Å; G742-A745 PolarHBondContact O-N 2.69Å; R743-A745 PolarHBondContact O-N 2.89Å; A745-T747 VanDerWaalsContact C-N 3.27Å; A745-T747 PolarHBondContact O-N 3.47Å; A745-E748 PolarHBondContact O-N 3.39Å; A745-M749 WeakPolarHBondContact O-CG 2.97Å; A745-M749 PolarHBondContact O-N 2.99Å |
| 746 | V | 90.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.3 | -36.7 | -177 | 169.2 | 0 | 0 | 0 | 0 | 109.4 | F720 F723 G742 R743 K744 E748 M749 L750 I767 | F720-V746 HydrophobicContact CB-CG2 3.79Å; F720-V746 HydrophobicContact CD1-CB 4.26Å; F720-V746 HydrophobicContact CD1-CG1 4.48Å; F720-V746 HydrophobicContact CD1-CG2 3.82Å; F720-V746 HydrophobicContact CG-CG2 4.08Å; F723-V746 HydrophobicContact CB-CG2 4.48Å; F723-V746 HydrophobicContact CD1-CG1 3.89Å; F723-V746 HydrophobicContact CD1-CG2 4.14Å; F723-V746 HydrophobicContact CE1-CG1 4.14Å; G742-V746 WeakPolarHBondContact O-CB 2.7Å; G742-V746 WeakPolarHBondContact O-CG2 3Å; G742-V746 PolarHBondContact O-N 3.24Å; R743-V746 PolarHBondContact O-N 3.37Å; K744-V746 VanDerWaalsContact C-N 3.28Å; K744-V746 PolarHBondContact O-N 2.68Å; V746-E748 PolarHBondContact O-N 2.76Å; V746-M749 CarbonylContact O-C 3.6Å; V746-M749 WeakPolarHBondContact O-CB 2.74Å; V746-M749 PolarHBondContact O-N 3.2Å; V746-M749 VanDerWaalsContact O-N 3.07Å; V746-L750 HydrophobicContact CG1-CD1 3.76Å; V746-L750 HydrophobicContact CG1-CG 3.97Å; V746-L750 WeakPolarHBondContact O-CB 3.18Å; V746-L750 VanDerWaalsContact O-CG 3.28Å; V746-L750 WeakPolarHBondContact O-CG 3.04Å; V746-L750 PolarHBondContact O-N 3.31Å; V746-I767 HydrophobicContact CB-CD1 3.6Å; V746-I767 HydrophobicContact CG1-CD1 2.43Å; V746-I767 HydrophobicContact CG1-CG1 3.51Å; V746-I767 HydrophobicContact CG2-CD1 3.75Å |
| 747 | T | 89.7 | Confident | 85.3 | Confident | 35 Ų | 35 | 75 Ų | 75 | 22% | 0.215 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62 | -40.4 | 179.2 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | R743 K744 A745 M749 L750 K751 I762 | R743-T747 PolarHBondContact O-N 3.47Å; R743-T747 PolarHBondContact O-OG1 2.99Å; K744-T747 PolarHBondContact O-N 3.35Å; A745-T747 VanDerWaalsContact C-N 3.27Å; A745-T747 PolarHBondContact O-N 3.47Å; T747-M749 PolarHBondContact O-N 3.42Å; T747-L750 PolarHBondContact O-N 2.83Å; T747-K751 VanDerWaalsContact O-CG 3.27Å; T747-K751 WeakPolarHBondContact O-CG 3.26Å; T747-K751 PolarHBondContact O-N 3.33Å; T747-I762 HydrophobicContact CG2-CD1 4.43Å |
| 748 | E | 88.6 | Confident | 85.2 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.6 | -36.8 | 179.3 | -71.9 | -65.9 | 145.1 | 0 | 0 | 110.7 | V734 K744 A745 V746 L750 K751 A752 | V734-E748 HydrophobicContact CG1-CB 3.91Å; K744-E748 WeakPolarHBondContact O-CG 2.97Å; K744-E748 PolarHBondContact O-N 2.84Å; K744-E748 VanDerWaalsContact O-N 3.08Å; A745-E748 PolarHBondContact O-N 3.39Å; V746-E748 PolarHBondContact O-N 2.76Å; E748-L750 VanDerWaalsContact C-N 3.31Å; E748-K751 WeakPolarHBondContact O-CB 3.27Å; E748-K751 PolarHBondContact O-N 2.81Å; E748-A752 PolarHBondContact O-N 3.21Å |
| 749 | M | 90.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | 179.5 | -73.2 | 176.9 | 69.5 | 0 | 0 | 110.8 | F723 R724 E728 I735 A745 V746 T747 K751 A752 L753 | F723-M749 HydrophobicContact CD1-CE 4.29Å; F723-M749 HydrophobicContact CE1-CB 4.34Å; F723-M749 HydrophobicContact CE1-CE 4.22Å; R724-M749 HydrophobicContact CB-SD 4.12Å; R724-M749 HydrophobicContact CG-SD 3.93Å; E728-M749 HydrophobicContact CB-CE 4.17Å; I735-M749 HydrophobicContact CD1-CG 3.58Å; I735-M749 HydrophobicContact CD1-SD 3.36Å; I735-M749 WeakPolarHBondContact CD1-SD 3.47Å; I735-M749 HydrophobicContact CG1-CG 4.02Å; I735-M749 HydrophobicContact CG1-SD 4.45Å; A745-M749 WeakPolarHBondContact O-CG 2.97Å; A745-M749 PolarHBondContact O-N 2.99Å; V746-M749 CarbonylContact O-C 3.6Å; V746-M749 WeakPolarHBondContact O-CB 2.74Å; V746-M749 PolarHBondContact O-N 3.2Å; V746-M749 VanDerWaalsContact O-N 3.07Å; T747-M749 PolarHBondContact O-N 3.42Å; M749-K751 PolarHBondContact O-N 2.3Å; M749-A752 WeakPolarHBondContact O-CB 3.29Å; M749-A752 PolarHBondContact O-N 3.4Å; M749-L753 WeakPolarHBondContact O-CG 3.49Å; M749-L753 PolarHBondContact O-N 2.82Å |
| 750 | L | 90.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.6 | 0 | -179 | -74.2 | 171.7 | 0 | 0 | 0 | 110.5 | F723 V746 T747 E748 A752 L753 D754 L755 Y760 I762 I767 F769 | F723-L750 HydrophobicContact CE1-CD2 4.14Å; F723-L750 HydrophobicContact CE1-CG 4.42Å; F723-L750 HydrophobicContact CZ-CD2 3.74Å; V746-L750 HydrophobicContact CG1-CD1 3.76Å; V746-L750 HydrophobicContact CG1-CG 3.97Å; V746-L750 WeakPolarHBondContact O-CB 3.18Å; V746-L750 VanDerWaalsContact O-CG 3.28Å; V746-L750 WeakPolarHBondContact O-CG 3.04Å; V746-L750 PolarHBondContact O-N 3.31Å; T747-L750 PolarHBondContact O-N 2.83Å; E748-L750 VanDerWaalsContact C-N 3.31Å; L750-A752 VanDerWaalsContact C-N 3.26Å; L750-A752 PolarHBondContact O-N 2.74Å; L750-L753 PolarHBondContact O-N 3.38Å; L750-D754 PolarHBondContact O-N 2.79Å; L750-L755 HydrophobicContact CD2-CD1 3.62Å; L750-L755 PolarHBondContact O-N 2.84Å; L750-Y760 HydrophobicContact CB-CE2 4.47Å; L750-Y760 HydrophobicContact CD1-CD2 3.54Å; L750-Y760 HydrophobicContact CD1-CE2 3.34Å; L750-Y760 HydrophobicContact CD1-CG 4.26Å; L750-Y760 HydrophobicContact CG-CE2 4.42Å; L750-I762 HydrophobicContact CD1-CD1 3.9Å; L750-I762 HydrophobicContact CD1-CG1 3.98Å; L750-I767 HydrophobicContact CD1-CD1 4.41Å; L750-I767 HydrophobicContact CD1-CG2 4.39Å; L750-F769 HydrophobicContact CD2-CE1 4.25Å; L750-F769 HydrophobicContact CD2-CZ 4.25Å |
| 751 | K | 87.6 | Confident | 86.6 | Confident | 121 Ų | 121 | 57.2 Ų | 57.2 | 53% | 0.526 | 30% | 0.296 | S | S | . | . | H | α-helix | 0 | -33.7 | 0 | -77.6 | -177 | -176.2 | 177.1 | 0 | 110.7 | T747 E748 M749 L753 D754 | T747-K751 VanDerWaalsContact O-CG 3.27Å; T747-K751 WeakPolarHBondContact O-CG 3.26Å; T747-K751 PolarHBondContact O-N 3.33Å; E748-K751 WeakPolarHBondContact O-CB 3.27Å; E748-K751 PolarHBondContact O-N 2.81Å; M749-K751 PolarHBondContact O-N 2.3Å; K751-L753 VanDerWaalsContact C-N 3.28Å; K751-D754 PolarHBondContact O-N 2.77Å | |
| 752 | A | 88 | Confident | 86.8 | Confident | 48 Ų | 48 | 54.5 Ų | 54.5 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -75.9 | 0 | -179 | 0 | 0 | 0 | 0 | 0 | 110.7 | T731 V734 E748 M749 L750 D754 | T731-A752 HydrophobicContact CG2-CB 3.76Å; V734-A752 HydrophobicContact CG1-CB 4.35Å; V734-A752 HydrophobicContact CG2-CB 3.71Å; E748-A752 PolarHBondContact O-N 3.21Å; M749-A752 WeakPolarHBondContact O-CB 3.29Å; M749-A752 PolarHBondContact O-N 3.4Å; L750-A752 VanDerWaalsContact C-N 3.26Å; L750-A752 PolarHBondContact O-N 2.74Å; A752-D754 PolarHBondContact O-N 2.81Å |
| 753 | L | 87.8 | Confident | 87.1 | Confident | 39 Ų | 39 | 53.5 Ų | 53.5 | 20% | 0.204 | 27% | 0.27 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -74.3 | 169 | 0 | 0 | 0 | 110.3 | F723 L730 T731 M749 L750 K751 L755 L777 | F723-L753 HydrophobicContact CE1-CD1 4.41Å; F723-L753 HydrophobicContact CZ-CD1 3.99Å; L730-L753 HydrophobicContact CB-CD2 3.87Å; L730-L753 HydrophobicContact CD1-CD2 4.27Å; T731-L753 HydrophobicContact CG2-CD2 3.81Å; T731-L753 HydrophobicContact CG2-CG 3.73Å; M749-L753 WeakPolarHBondContact O-CG 3.49Å; M749-L753 PolarHBondContact O-N 2.82Å; L750-L753 PolarHBondContact O-N 3.38Å; K751-L753 VanDerWaalsContact C-N 3.28Å; L753-L755 VanDerWaalsContact C-N 3.28Å; L753-L755 HydrophobicContact CB-CD1 4.18Å; L753-L755 HydrophobicContact CB-CG 4.1Å; L753-L755 HydrophobicContact CD1-CD1 4.27Å; L753-L755 PolarHBondContact O-N 3.29Å; L753-L777 HydrophobicContact CD1-CD2 4.02Å; L753-L777 HydrophobicContact CD2-CD2 4.39Å | |
| 754 | D | 84.9 | Confident | 87.1 | Confident | 135 Ų | 135 | 53.5 Ų | 53.5 | 72% | 0.722 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -81.8 | -16.6 | 0 | 0 | 0 | 111.5 | L750 K751 A752 | L750-D754 PolarHBondContact O-N 2.79Å; K751-D754 PolarHBondContact O-N 2.77Å; A752-D754 PolarHBondContact O-N 2.81Å | |
| 755 | L | 83.4 | Confident | 87.2 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | 0 | 135 | 0 | -70.2 | 166.6 | 0 | 0 | 0 | 110.2 | L750 L753 V759 Y760 F769 V773 L777 | L750-L755 HydrophobicContact CD2-CD1 3.62Å; L750-L755 PolarHBondContact O-N 2.84Å; L753-L755 VanDerWaalsContact C-N 3.28Å; L753-L755 HydrophobicContact CB-CD1 4.18Å; L753-L755 HydrophobicContact CB-CG 4.1Å; L753-L755 HydrophobicContact CD1-CD1 4.27Å; L753-L755 PolarHBondContact O-N 3.29Å; L755-V759 HydrophobicContact CB-CG2 4.25Å; L755-Y760 HydrophobicContact CB-CD1 4.02Å; L755-Y760 HydrophobicContact CB-CE1 4.03Å; L755-Y760 WeakPolarHBondContact O-CE1 2.64Å; L755-F769 HydrophobicContact CD1-CE1 4.27Å; L755-V773 HydrophobicContact CD2-CG1 4.31Å; L755-L777 HydrophobicContact CD1-CD1 4.17Å; L755-L777 HydrophobicContact CD1-CD2 4.32Å | |||
| 756 | S | 80 | Confident | 87.4 | Confident | 43 Ų | 43 | 51.2 Ų | 51.2 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | trans | -63.3 | 145.9 | 179.9 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | D758 V759 Y760 | S756-D758 PolarHBondContact O-N 2.07Å; S756-D758 VanDerWaalsContact O-N 3.12Å; S756-D758 PolarHBondContact OG-N 3.45Å; S756-V759 WeakPolarHBondContact O-CG2 3.4Å; S756-V759 PolarHBondContact O-N 1.94Å; S756-Y760 WeakPolarHBondContact O-CD1 2.85Å; S756-Y760 WeakPolarHBondContact O-CE1 2.9Å | ||
| 757 | H | 81.2 | Confident | 87.5 | Confident | 132 Ų | 132 | 51.2 Ų | 51.2 | 61% | 0.611 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -10.2 | -179.1 | -84.6 | -75.1 | 0 | 0 | 0 | 110.9 | Y760 | H757-Y760 AromaticContact CE1-CZ 4Å; H757-Y760 PolarHBondContact CE1-OH 3.41Å; H757-Y760 AromaticContact ND1-CZ 3.63Å; H757-Y760 PolarHBondContact ND1-OH 2.77Å; H757-Y760 VanDerWaalsContact ND1-OH 3.08Å |
| 758 | D | 75.8 | Confident | 87.5 | Confident | 83 Ų | 83 | 49.5 Ų | 49.5 | 44% | 0.444 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -12.4 | -177.7 | -70.4 | -22.9 | 0 | 0 | 0 | 110.7 | S756 K770 | S756-D758 PolarHBondContact O-N 2.07Å; S756-D758 VanDerWaalsContact O-N 3.12Å; S756-D758 PolarHBondContact OG-N 3.45Å; D758-K770 WeakPolarHBondContact O-CE 3.31Å |
| 759 | V | 84.7 | Confident | 87.5 | Confident | 35 Ų | 35 | 45.5 Ų | 45.5 | 21% | 0.212 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 0 | -174.4 | -70.9 | 0 | 0 | 0 | 0 | 109.5 | L755 S756 F769 K770 V773 | L755-V759 HydrophobicContact CB-CG2 4.25Å; S756-V759 WeakPolarHBondContact O-CG2 3.4Å; S756-V759 PolarHBondContact O-N 1.94Å; V759-F769 WeakPolarHBondContact O-CA 2.53Å; V759-K770 PolarHBondContact O-N 2.04Å; V759-V773 HydrophobicContact CB-CG2 3.99Å |
| 760 | Y | 89.1 | Confident | 87 | Confident | 6 Ų | 6 | 48 Ų | 48 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | 0 | 158.3 | 0 | 70.2 | -91 | 0 | 0 | 0 | 109.3 | L750 L755 S756 H757 I762 F768 | L750-Y760 HydrophobicContact CB-CE2 4.47Å; L750-Y760 HydrophobicContact CD1-CD2 3.54Å; L750-Y760 HydrophobicContact CD1-CE2 3.34Å; L750-Y760 HydrophobicContact CD1-CG 4.26Å; L750-Y760 HydrophobicContact CG-CE2 4.42Å; L755-Y760 HydrophobicContact CB-CD1 4.02Å; L755-Y760 HydrophobicContact CB-CE1 4.03Å; L755-Y760 WeakPolarHBondContact O-CE1 2.64Å; S756-Y760 WeakPolarHBondContact O-CD1 2.85Å; S756-Y760 WeakPolarHBondContact O-CE1 2.9Å; H757-Y760 AromaticContact CE1-CZ 4Å; H757-Y760 PolarHBondContact CE1-OH 3.41Å; H757-Y760 AromaticContact ND1-CZ 3.63Å; H757-Y760 PolarHBondContact ND1-OH 2.77Å; H757-Y760 VanDerWaalsContact ND1-OH 3.08Å; Y760-I762 HydrophobicContact CD2-CG1 3.97Å; Y760-I762 HydrophobicContact CE2-CD1 3.9Å; Y760-I762 HydrophobicContact CE2-CG1 3.83Å; Y760-F768 CarbonylContact C-O 3.44Å; Y760-F768 WeakPolarHBondContact CA-O 2.91Å | |
| 761 | C | 89.3 | Confident | 86 | Confident | 19 Ų | 19 | 50.4 Ų | 50.4 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 138.7 | 172 | -76.1 | 0 | 0 | 0 | 0 | 109.7 | I509 F714 F768 | I509-C761 HydrophobicContact CG2-CB 4.35Å; F714-C761 HydrophobicContact CD2-CB 4.49Å; F714-C761 HydrophobicContact CE1-CB 4.3Å; F714-C761 VanDerWaalsContact CE1-SG 3.56Å; F714-C761 HydrophobicContact CE2-CB 4.25Å; F714-C761 WeakPolarHBondContact CE2-SG 3.41Å; F714-C761 HydrophobicContact CZ-CB 4.15Å; F714-C761 WeakPolarHBondContact CZ-SG 3.17Å; C761-F768 HydrophobicContact CB-CB 4.28Å; C761-F768 PolarHBondContact N-O 2.2Å; C761-F768 PolarHBondContact O-N 3.5Å |
| 762 | I | 90.6 | Very high | 85.2 | Confident | 35 Ų | 35 | 46.8 Ų | 46.8 | 18% | 0.179 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 123.6 | -178.1 | -64.7 | 171.6 | 0 | 0 | 0 | 108.9 | F720 R743 T747 L750 Y760 | F720-I762 HydrophobicContact CE1-CG2 4.06Å; F720-I762 HydrophobicContact CZ-CG2 3.88Å; R743-I762 HydrophobicContact CG-CG2 4.05Å; T747-I762 HydrophobicContact CG2-CD1 4.43Å; L750-I762 HydrophobicContact CD1-CD1 3.9Å; L750-I762 HydrophobicContact CD1-CG1 3.98Å; Y760-I762 HydrophobicContact CD2-CG1 3.97Å; Y760-I762 HydrophobicContact CE2-CD1 3.9Å; Y760-I762 HydrophobicContact CE2-CG1 3.83Å |
| 763 | G | 90.8 | Very high | 84.9 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | trans | -95 | -160.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E507 F720 K766 | E507-G763 CarbonylContact O-C 3.53Å; E507-G763 VanDerWaalsContact O-CA 3.29Å; E507-G763 WeakPolarHBondContact O-CA 3.1Å; F720-G763 VanDerWaalsContact CZ-O 3.3Å; F720-G763 WeakPolarHBondContact CZ-O 3.04Å; G763-K766 WeakPolarHBondContact CA-O 2.84Å; G763-K766 PolarHBondContact N-O 2.04Å | ||
| 764 | H | 89.1 | Confident | 84.6 | Confident | 120 Ų | 120 | 45.2 Ų | 45.2 | 56% | 0.556 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -76.4 | -34.9 | -178.7 | -71 | -55 | 0 | 0 | 0 | 110.5 | E507 F720 | E507-H764 PolarHBondContact O-CD2 3.25Å; E507-H764 PolarHBondContact O-N 1.81Å; E507-H764 PolarHBondContact OE2-N 3.14Å; F720-H764 WeakPolarHBondContact CE2-O 3.14Å |
| 765 | S | 90.7 | Very high | 84 | Confident | 47 Ų | 47 | 39.8 Ų | 39.8 | 33% | 0.329 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -131.3 | -13.7 | -173.9 | 60.6 | 0 | 0 | 0 | 0 | 109.6 | E507 F720 | E507-S765 PolarHBondContact OE1-OG 1.64Å; E507-S765 PolarHBondContact OE2-N 1.84Å; E507-S765 PolarHBondContact OE2-OG 3.12Å; F720-S765 VanDerWaalsContact CD2-O 3.29Å; F720-S765 WeakPolarHBondContact CD2-O 3.28Å; F720-S765 VanDerWaalsContact CE2-CA 3.42Å; F720-S765 VanDerWaalsContact CG-O 3.31Å; F720-S765 WeakPolarHBondContact CG-O 3.44Å; F720-S765 PolarHBondContact N-O 3.46Å |
| 766 | K | 92.4 | Very high | 83.9 | Confident | 48 Ų | 48 | 42.4 Ų | 42.4 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 160.6 | -172.2 | -60.4 | 175.9 | -174.4 | 178.6 | 0 | 109.6 | E503 E507 I718 L719 F720 G763 F768 | E503-K766 IonicContact OE1-NZ 3.75Å; E503-K766 PolarHBondContact OE1-NZ 2.92Å; E507-K766 PolarHBondContact OE2-N 1.92Å; I718-K766 CarbonylContact O-C 3.41Å; I718-K766 VanDerWaalsContact O-CA 3.28Å; I718-K766 WeakPolarHBondContact O-CA 3.31Å; I718-K766 WeakPolarHBondContact O-CB 3.14Å; L719-K766 HydrophobicContact CD2-CD 4.2Å; L719-K766 HydrophobicContact CD2-CG 3.55Å; L719-K766 HydrophobicContact CG-CG 4.3Å; F720-K766 VanDerWaalsContact CE1-O 3.29Å; F720-K766 WeakPolarHBondContact CE1-O 2.71Å; G763-K766 WeakPolarHBondContact CA-O 2.84Å; G763-K766 PolarHBondContact N-O 2.04Å; K766-F768 HydrophobicContact CB-CE2 4.19Å |
| 767 | I | 92 | Very high | 84.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138.7 | 172.3 | -56.5 | 170.9 | 0 | 0 | 0 | 109 | R717 I718 F720 F723 V746 L750 F769 | R717-I767 CarbonylContact C-O 3.4Å; R717-I767 WeakPolarHBondContact CA-O 2.94Å; I718-I767 HydrophobicContact CG2-CB 3.88Å; I718-I767 HydrophobicContact CG2-CD1 4.46Å; I718-I767 PolarHBondContact N-O 3.48Å; I718-I767 PolarHBondContact O-N 3.27Å; F720-I767 HydrophobicContact CD1-CD1 3.95Å; F720-I767 HydrophobicContact CD1-CG1 3.44Å; F720-I767 VanDerWaalsContact CD1-CG1 3.44Å; F720-I767 HydrophobicContact CE1-CD1 4.25Å; F720-I767 HydrophobicContact CE1-CG1 3.32Å; F723-I767 HydrophobicContact CB-CD1 3.96Å; F723-I767 HydrophobicContact CD1-CD1 3.77Å; F723-I767 HydrophobicContact CD2-CD1 4.11Å; F723-I767 HydrophobicContact CE1-CD1 4.26Å; F723-I767 HydrophobicContact CG-CD1 3.69Å; V746-I767 HydrophobicContact CB-CD1 3.6Å; V746-I767 HydrophobicContact CG1-CD1 2.43Å; V746-I767 HydrophobicContact CG1-CG1 3.51Å; V746-I767 HydrophobicContact CG2-CD1 3.75Å; L750-I767 HydrophobicContact CD1-CD1 4.41Å; L750-I767 HydrophobicContact CD1-CG2 4.39Å; I767-F769 HydrophobicContact CB-CE2 3.97Å; I767-F769 HydrophobicContact CB-CZ 4.33Å; I767-F769 HydrophobicContact CG2-CD2 4.17Å; I767-F769 HydrophobicContact CG2-CE1 4.14Å; I767-F769 HydrophobicContact CG2-CE2 3.5Å; I767-F769 HydrophobicContact CG2-CZ 3.48Å; I767-F769 VanDerWaalsContact CG2-CZ 3.48Å |
| 768 | F | 91.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 0 | -177.7 | -70.3 | -98.3 | 0 | 0 | 0 | 108.8 | E503 Y504 E507 I509 F714 S716 R717 Y760 C761 K766 | E503-F768 HydrophobicContact CG-CE1 4.03Å; E503-F768 HydrophobicContact CG-CZ 4.02Å; Y504-F768 AromaticContact CD1-CD1 3.89Å; Y504-F768 HydrophobicContact CD1-CD1 3.89Å; Y504-F768 AromaticContact CD1-CE1 3.7Å; Y504-F768 HydrophobicContact CD1-CE1 3.7Å; Y504-F768 HydrophobicContact CD1-CZ 4.35Å; Y504-F768 AromaticContact CE1-CD1 3.49Å; Y504-F768 HydrophobicContact CE1-CD1 3.49Å; Y504-F768 VanDerWaalsContact CE1-CD1 3.49Å; Y504-F768 AromaticContact CE1-CE1 3.64Å; Y504-F768 HydrophobicContact CE1-CE1 3.64Å; Y504-F768 HydrophobicContact CE1-CG 4.41Å; E507-F768 HydrophobicContact CB-CE2 3.51Å; E507-F768 HydrophobicContact CB-CZ 3.71Å; E507-F768 HydrophobicContact CG-CE2 3.46Å; E507-F768 VanDerWaalsContact CG-CE2 3.46Å; E507-F768 HydrophobicContact CG-CZ 3.27Å; I509-F768 HydrophobicContact CG2-CD2 3.75Å; I509-F768 HydrophobicContact CG2-CE2 3.85Å; F714-F768 HydrophobicContact CB-CB 3.33Å; F714-F768 HydrophobicContact CB-CD1 4.2Å; F714-F768 HydrophobicContact CB-CG 4.22Å; F714-F768 HydrophobicContact CD1-CB 4.38Å; F714-F768 HydrophobicContact CG-CB 3.89Å; S716-F768 CarbonylContact O-C 3.5Å; S716-F768 VanDerWaalsContact O-CA 3.23Å; S716-F768 WeakPolarHBondContact O-CA 3.08Å; R717-F768 HydrophobicContact CB-CD1 4.04Å; R717-F768 HydrophobicContact CB-CE1 4.07Å; Y760-F768 CarbonylContact C-O 3.44Å; Y760-F768 WeakPolarHBondContact CA-O 2.91Å; C761-F768 HydrophobicContact CB-CB 4.28Å; C761-F768 PolarHBondContact N-O 2.2Å; C761-F768 PolarHBondContact O-N 3.5Å; K766-F768 HydrophobicContact CB-CE2 4.19Å |
| 769 | F | 87.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | 0 | 152.1 | 0 | -71.5 | -80.7 | 0 | 0 | 0 | 109.7 | F714 P715 S716 I718 F723 L750 L755 V759 I767 V773 L774 L777 | F714-F769 CarbonylContact C-O 3.42Å; F714-F769 WeakPolarHBondContact CA-O 2.11Å; P715-F769 WeakPolarHBondContact CD-O 2.8Å; S716-F769 PolarHBondContact N-O 2.25Å; S716-F769 PolarHBondContact O-N 3.42Å; I718-F769 HydrophobicContact CG2-CD2 4.38Å; I718-F769 HydrophobicContact CG2-CE2 3.68Å; F723-F769 HydrophobicContact CD2-CE2 4.05Å; F723-F769 HydrophobicContact CD2-CZ 4.02Å; F723-F769 HydrophobicContact CE2-CE1 4.44Å; F723-F769 AromaticContact CE2-CE2 3.82Å; F723-F769 HydrophobicContact CE2-CE2 3.82Å; F723-F769 AromaticContact CE2-CZ 3.36Å; F723-F769 HydrophobicContact CE2-CZ 3.36Å; F723-F769 HydrophobicContact CZ-CZ 4.01Å; L750-F769 HydrophobicContact CD2-CE1 4.25Å; L750-F769 HydrophobicContact CD2-CZ 4.25Å; L755-F769 HydrophobicContact CD1-CE1 4.27Å; V759-F769 WeakPolarHBondContact O-CA 2.53Å; I767-F769 HydrophobicContact CB-CE2 3.97Å; I767-F769 HydrophobicContact CB-CZ 4.33Å; I767-F769 HydrophobicContact CG2-CD2 4.17Å; I767-F769 HydrophobicContact CG2-CE1 4.14Å; I767-F769 HydrophobicContact CG2-CE2 3.5Å; I767-F769 HydrophobicContact CG2-CZ 3.48Å; I767-F769 VanDerWaalsContact CG2-CZ 3.48Å; F769-V773 HydrophobicContact CB-CB 4.15Å; F769-V773 HydrophobicContact CD1-CB 4.09Å; F769-V773 HydrophobicContact CD1-CG1 3.55Å; F769-V773 HydrophobicContact CE1-CG1 4.11Å; F769-V773 HydrophobicContact CG-CB 4.48Å; F769-V773 HydrophobicContact CG-CG1 4.35Å; F769-L774 HydrophobicContact CB-CG 4.12Å; F769-L774 HydrophobicContact CD2-CD1 4.14Å; F769-L774 HydrophobicContact CD2-CD2 3.56Å; F769-L774 HydrophobicContact CD2-CG 3.71Å; F769-L774 HydrophobicContact CE2-CD2 3.66Å; F769-L774 HydrophobicContact CE2-CG 4.34Å; F769-L774 HydrophobicContact CG-CD2 4.2Å; F769-L774 HydrophobicContact CG-CG 4.03Å; F769-L774 HydrophobicContact CZ-CD2 4.38Å; F769-L777 HydrophobicContact CE1-CD1 4.28Å; F769-L777 HydrophobicContact CZ-CD1 4.32Å | |
| 770 | K | 81.3 | Confident | 84.6 | Confident | 53 Ų | 53 | 37 Ų | 37 | 23% | 0.23 | 20% | 0.203 | C | C | . | . | trans | -74.9 | 166.4 | 170.7 | -76 | -162.5 | 175 | 179.4 | 0 | 109.9 | F714 D758 V759 G772 V773 | F714-K770 HydrophobicContact CD1-CG 3.87Å; F714-K770 HydrophobicContact CE1-CG 3.89Å; D758-K770 WeakPolarHBondContact O-CE 3.31Å; V759-K770 PolarHBondContact O-N 2.04Å; K770-G772 PolarHBondContact O-N 3.43Å; K770-V773 HydrophobicContact CB-CG2 4.24Å; K770-V773 PolarHBondContact O-N 3.21Å | ||
| 771 | V | 69.3 | Low | 84.6 | Confident | 50 Ų | 50 | 39.8 Ų | 39.8 | 30% | 0.303 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 0 | -173.1 | 177.5 | 0 | 0 | 0 | 0 | 109 | P715 | P715-V771 HydrophobicContact CB-CG2 4.18Å; P715-V771 HydrophobicContact CG-CB 4.32Å; P715-V771 HydrophobicContact CG-CG2 2.98Å |
| 772 | G | 70.6 | Confident | 84.5 | Confident | 46 Ų | 46 | 41.8 Ų | 41.8 | 47% | 0.474 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | 0 | -19.9 | 0 | 0 | 0 | 0 | 0 | 0 | 110.6 | K770 A775 Q776 | K770-G772 PolarHBondContact O-N 3.43Å; G772-A775 WeakPolarHBondContact O-CB 2.91Å; G772-A775 PolarHBondContact O-N 3.34Å; G772-Q776 PolarHBondContact O-N 3.35Å; G772-Q776 VanDerWaalsContact O-N 3.16Å | |
| 773 | V | 81.2 | Confident | 84.3 | Confident | 21 Ų | 21 | 45.1 Ų | 45.1 | 13% | 0.127 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.8 | -45.9 | -176.1 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | L755 V759 F769 K770 A775 Q776 L777 | L755-V773 HydrophobicContact CD2-CG1 4.31Å; V759-V773 HydrophobicContact CB-CG2 3.99Å; F769-V773 HydrophobicContact CB-CB 4.15Å; F769-V773 HydrophobicContact CD1-CB 4.09Å; F769-V773 HydrophobicContact CD1-CG1 3.55Å; F769-V773 HydrophobicContact CE1-CG1 4.11Å; F769-V773 HydrophobicContact CG-CB 4.48Å; F769-V773 HydrophobicContact CG-CG1 4.35Å; K770-V773 HydrophobicContact CB-CG2 4.24Å; K770-V773 PolarHBondContact O-N 3.21Å; V773-A775 PolarHBondContact O-N 3.14Å; V773-Q776 WeakPolarHBondContact O-CB 2.85Å; V773-Q776 PolarHBondContact O-N 2.8Å; V773-Q776 VanDerWaalsContact O-N 3.08Å; V773-L777 HydrophobicContact CG1-CD1 4.47Å; V773-L777 PolarHBondContact O-N 3.12Å |
| 774 | L | 81.3 | Confident | 84 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -34.9 | -179.7 | -79.5 | 176 | 0 | 0 | 0 | 110.7 | Y727 F769 Q776 L777 E778 | Y727-L774 HydrophobicContact CE2-CD2 4.3Å; F769-L774 HydrophobicContact CB-CG 4.12Å; F769-L774 HydrophobicContact CD2-CD1 4.14Å; F769-L774 HydrophobicContact CD2-CD2 3.56Å; F769-L774 HydrophobicContact CD2-CG 3.71Å; F769-L774 HydrophobicContact CE2-CD2 3.66Å; F769-L774 HydrophobicContact CE2-CG 4.34Å; F769-L774 HydrophobicContact CG-CD2 4.2Å; F769-L774 HydrophobicContact CG-CG 4.03Å; F769-L774 HydrophobicContact CZ-CD2 4.38Å; L774-Q776 PolarHBondContact O-N 3.4Å; L774-L777 HydrophobicContact CD2-CD1 4.38Å; L774-L777 PolarHBondContact O-N 2.77Å; L774-L777 VanDerWaalsContact O-N 3.15Å; L774-E778 WeakPolarHBondContact O-CB 3.44Å; L774-E778 WeakPolarHBondContact O-CG 3.14Å; L774-E778 PolarHBondContact O-N 3.38Å |
| 775 | A | 73.9 | Confident | 84 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -41.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | H147 G772 V773 L777 E778 E779 | H147-A775 VanDerWaalsContact CE1-CB 3.45Å; H147-A775 WeakPolarHBondContact CE1-CB 3.15Å; G772-A775 WeakPolarHBondContact O-CB 2.91Å; G772-A775 PolarHBondContact O-N 3.34Å; V773-A775 PolarHBondContact O-N 3.14Å; A775-L777 VanDerWaalsContact C-N 3.25Å; A775-L777 PolarHBondContact O-N 3.29Å; A775-E778 PolarHBondContact O-N 2.93Å; A775-E779 PolarHBondContact O-N 3.12Å |
| 776 | Q | 80.4 | Confident | 83.9 | Confident | 96 Ų | 96 | 47.5 Ų | 47.5 | 45% | 0.449 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 177.8 | -177.3 | 62.9 | 29.3 | 0 | 0 | 111.4 | G772 V773 L774 E778 E779 D780 | G772-Q776 PolarHBondContact O-N 3.35Å; G772-Q776 VanDerWaalsContact O-N 3.16Å; V773-Q776 WeakPolarHBondContact O-CB 2.85Å; V773-Q776 PolarHBondContact O-N 2.8Å; V773-Q776 VanDerWaalsContact O-N 3.08Å; L774-Q776 PolarHBondContact O-N 3.4Å; Q776-E778 PolarHBondContact O-N 3.32Å; Q776-E779 WeakPolarHBondContact O-CB 3.35Å; Q776-E779 PolarHBondContact O-N 2.94Å; Q776-D780 PolarHBondContact NE2-OD1 2.81Å; Q776-D780 VanDerWaalsContact O-CG 3.28Å; Q776-D780 PolarHBondContact O-N 3.4Å |
| 777 | L | 87.3 | Confident | 83.5 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 178.7 | -74.6 | 175.1 | 0 | 0 | 0 | 111.2 | F723 Y727 L730 L753 L755 F769 V773 L774 A775 E779 D780 R781 | F723-L777 HydrophobicContact CE2-CD1 3.93Å; F723-L777 HydrophobicContact CZ-CD1 4.27Å; Y727-L777 HydrophobicContact CD1-CB 4.03Å; Y727-L777 HydrophobicContact CE1-CB 3.59Å; L730-L777 HydrophobicContact CD1-CD2 4.32Å; L753-L777 HydrophobicContact CD1-CD2 4.02Å; L753-L777 HydrophobicContact CD2-CD2 4.39Å; L755-L777 HydrophobicContact CD1-CD1 4.17Å; L755-L777 HydrophobicContact CD1-CD2 4.32Å; F769-L777 HydrophobicContact CE1-CD1 4.28Å; F769-L777 HydrophobicContact CZ-CD1 4.32Å; V773-L777 HydrophobicContact CG1-CD1 4.47Å; V773-L777 PolarHBondContact O-N 3.12Å; L774-L777 HydrophobicContact CD2-CD1 4.38Å; L774-L777 PolarHBondContact O-N 2.77Å; L774-L777 VanDerWaalsContact O-N 3.15Å; A775-L777 VanDerWaalsContact C-N 3.25Å; A775-L777 PolarHBondContact O-N 3.29Å; L777-E779 VanDerWaalsContact C-N 3.3Å; L777-D780 PolarHBondContact O-N 2.76Å; L777-R781 WeakPolarHBondContact O-CB 3.11Å; L777-R781 PolarHBondContact O-N 3.36Å |
| 778 | E | 82.7 | Confident | 83.3 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.6 | -41.9 | 179.2 | -81.3 | -69.5 | 163.5 | 0 | 0 | 110.2 | K145 Y727 L774 A775 Q776 D780 R781 D782 | K145-E778 VanDerWaalsContact NZ-CB 3.31Å; K145-E778 IonicContact NZ-OE2 3.67Å; Y727-E778 HydrophobicContact CE1-CG 4.32Å; Y727-E778 PolarHBondContact OH-OE1 3.39Å; Y727-E778 VanDerWaalsContact OH-OE1 3.09Å; L774-E778 WeakPolarHBondContact O-CB 3.44Å; L774-E778 WeakPolarHBondContact O-CG 3.14Å; L774-E778 PolarHBondContact O-N 3.38Å; A775-E778 PolarHBondContact O-N 2.93Å; Q776-E778 PolarHBondContact O-N 3.32Å; E778-D780 PolarHBondContact O-N 3.49Å; E778-R781 CarbonylContact O-C 3.42Å; E778-R781 WeakPolarHBondContact O-CB 2.43Å; E778-R781 PolarHBondContact O-N 3.21Å; E778-R781 VanDerWaalsContact O-N 3.15Å; E778-R781 IonicContact OE1-NH1 3.65Å; E778-R781 IonicContact OE2-NH1 3.57Å; E778-D782 WeakPolarHBondContact O-CB 3.26Å; E778-D782 VanDerWaalsContact O-CG 3.31Å; E778-D782 PolarHBondContact O-N 2.77Å |
| 779 | E | 81.9 | Confident | 83.2 | Confident | 93 Ų | 93 | 58.2 Ų | 58.2 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 177.1 | -168.2 | 172.6 | -177.1 | 0 | 0 | 111.2 | A775 Q776 L777 R781 D782 I783 | A775-E779 PolarHBondContact O-N 3.12Å; Q776-E779 WeakPolarHBondContact O-CB 3.35Å; Q776-E779 PolarHBondContact O-N 2.94Å; L777-E779 VanDerWaalsContact C-N 3.3Å; E779-R781 PolarHBondContact O-N 3.4Å; E779-D782 PolarHBondContact O-N 2.99Å; E779-I783 HydrophobicContact CG-CD1 4.22Å; E779-I783 WeakPolarHBondContact O-CG1 3.47Å; E779-I783 PolarHBondContact O-N 3.19Å |
| 780 | D | 85 | Confident | 83.5 | Confident | 55 Ų | 55 | 62.8 Ų | 62.8 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 177.6 | -69.5 | -15.4 | 0 | 0 | 0 | 111.3 | L730 Q776 L777 E778 D782 I783 H784 | L730-D780 HydrophobicContact CD1-CB 4.21Å; L730-D780 HydrophobicContact CD2-CB 4.16Å; Q776-D780 PolarHBondContact NE2-OD1 2.81Å; Q776-D780 VanDerWaalsContact O-CG 3.28Å; Q776-D780 PolarHBondContact O-N 3.4Å; L777-D780 PolarHBondContact O-N 2.76Å; E778-D780 PolarHBondContact O-N 3.49Å; D780-D782 VanDerWaalsContact C-N 3.31Å; D780-I783 PolarHBondContact O-N 1.61Å; D780-H784 PolarHBondContact O-CD2 3.31Å; D780-H784 PolarHBondContact O-N 3.48Å; D780-H784 VanDerWaalsContact O-N 3.08Å |
| 781 | R | 89.3 | Confident | 84 | Confident | 65 Ų | 65 | 67.1 Ų | 67.1 | 25% | 0.245 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 177.9 | -177.5 | -172.6 | 163.3 | -161.4 | 0.4 | 110.8 | R726 I729 L730 L777 E778 E779 I783 H784 L785 | R726-R781 VanDerWaalsContact O-CD 3.28Å; R726-R781 WeakPolarHBondContact O-CD 3.26Å; R726-R781 PolarHBondContact O-NE 3.48Å; I729-R781 HydrophobicContact CG2-CG 3.76Å; L730-R781 HydrophobicContact CD1-CB 4.36Å; L730-R781 HydrophobicContact CD2-CB 4.35Å; L730-R781 HydrophobicContact CG-CB 4.45Å; L777-R781 WeakPolarHBondContact O-CB 3.11Å; L777-R781 PolarHBondContact O-N 3.36Å; E778-R781 CarbonylContact O-C 3.42Å; E778-R781 WeakPolarHBondContact O-CB 2.43Å; E778-R781 PolarHBondContact O-N 3.21Å; E778-R781 VanDerWaalsContact O-N 3.15Å; E778-R781 IonicContact OE1-NH1 3.65Å; E778-R781 IonicContact OE2-NH1 3.57Å; E779-R781 PolarHBondContact O-N 3.4Å; R781-I783 PolarHBondContact O-N 2.91Å; R781-H784 WeakPolarHBondContact O-CB 3.24Å; R781-H784 PolarHBondContact O-N 3.2Å; R781-L785 HydrophobicContact CG-CD1 4Å; R781-L785 HydrophobicContact CG-CG 4.37Å; R781-L785 WeakPolarHBondContact O-CG 3.12Å; R781-L785 PolarHBondContact O-N 3.3Å |
| 782 | D | 86.2 | Confident | 85.1 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 33% | 0.326 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | -177.8 | -78.7 | -11.8 | 0 | 0 | 0 | 110.2 | K145 E778 E779 D780 H784 L785 T786 | K145-D782 IonicContact NZ-OD2 3.73Å; K145-D782 PolarHBondContact NZ-OD2 2.99Å; E778-D782 WeakPolarHBondContact O-CB 3.26Å; E778-D782 VanDerWaalsContact O-CG 3.31Å; E778-D782 PolarHBondContact O-N 2.77Å; E779-D782 PolarHBondContact O-N 2.99Å; D780-D782 VanDerWaalsContact C-N 3.31Å; D782-H784 PolarHBondContact O-N 3.12Å; D782-L785 PolarHBondContact O-N 1.79Å; D782-L785 VanDerWaalsContact O-N 3.14Å; D782-T786 PolarHBondContact O-N 1.47Å; D782-T786 PolarHBondContact O-OG1 3.13Å |
| 783 | I | 85.6 | Confident | 86.1 | Confident | 105 Ų | 105 | 73.2 Ų | 73.2 | 54% | 0.538 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | -179.8 | -70.6 | 172.2 | 0 | 0 | 0 | 109.6 | E779 D780 R781 L785 T786 | E779-I783 HydrophobicContact CG-CD1 4.22Å; E779-I783 WeakPolarHBondContact O-CG1 3.47Å; E779-I783 PolarHBondContact O-N 3.19Å; D780-I783 PolarHBondContact O-N 1.61Å; R781-I783 PolarHBondContact O-N 2.91Å; I783-L785 VanDerWaalsContact C-N 3.3Å; I783-L785 PolarHBondContact O-N 2.87Å; I783-T786 WeakPolarHBondContact O-CB 3.12Å; I783-T786 PolarHBondContact O-N 3.27Å; I783-T786 PolarHBondContact O-OG1 3.32Å |
| 784 | H | 85.2 | Confident | 86.7 | Confident | 116 Ų | 116 | 75.1 Ų | 75.1 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.5 | -29.3 | 179.4 | -93.1 | -70.9 | 0 | 0 | 0 | 111.4 | L730 D780 R781 D782 T786 | L730-H784 HydrophobicContact CD2-CB 4.37Å; L730-H784 WeakPolarHBondContact CD2-CD2 2.73Å; D780-H784 PolarHBondContact O-CD2 3.31Å; D780-H784 PolarHBondContact O-N 3.48Å; D780-H784 VanDerWaalsContact O-N 3.08Å; R781-H784 WeakPolarHBondContact O-CB 3.24Å; R781-H784 PolarHBondContact O-N 3.2Å; D782-H784 PolarHBondContact O-N 3.12Å; H784-T786 VanDerWaalsContact C-N 3.33Å |
| 785 | L | 88.8 | Confident | 87.3 | Confident | 39 Ų | 39 | 81.9 Ų | 81.9 | 20% | 0.204 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -83.2 | -20.3 | -177.1 | -75.8 | 176 | 0 | 0 | 0 | 110.2 | I729 R781 D782 I783 N787 S788 I789 | I729-L785 HydrophobicContact CD1-CD2 3.22Å; I729-L785 HydrophobicContact CD1-CG 3.98Å; R781-L785 HydrophobicContact CG-CD1 4Å; R781-L785 HydrophobicContact CG-CG 4.37Å; R781-L785 WeakPolarHBondContact O-CG 3.12Å; R781-L785 PolarHBondContact O-N 3.3Å; D782-L785 PolarHBondContact O-N 1.79Å; D782-L785 VanDerWaalsContact O-N 3.14Å; I783-L785 VanDerWaalsContact C-N 3.3Å; I783-L785 PolarHBondContact O-N 2.87Å; L785-N787 PolarHBondContact O-N 2.91Å; L785-N787 VanDerWaalsContact O-N 3.15Å; L785-S788 PolarHBondContact O-N 2.94Å; L785-I789 HydrophobicContact CB-CD1 4.17Å; L785-I789 HydrophobicContact CB-CG1 4.48Å; L785-I789 VanDerWaalsContact O-CG1 3.31Å; L785-I789 WeakPolarHBondContact O-CG1 2.52Å; L785-I789 PolarHBondContact O-N 2.86Å |
| 786 | T | 89.7 | Confident | 88.2 | Confident | 64 Ų | 64 | 82.3 Ų | 82.3 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.1 | 0 | -172.5 | -63.4 | 0 | 0 | 0 | 0 | 110 | D782 I783 H784 S788 I789 I790 | D782-T786 PolarHBondContact O-N 1.47Å; D782-T786 PolarHBondContact O-OG1 3.13Å; I783-T786 WeakPolarHBondContact O-CB 3.12Å; I783-T786 PolarHBondContact O-N 3.27Å; I783-T786 PolarHBondContact O-OG1 3.32Å; H784-T786 VanDerWaalsContact C-N 3.33Å; T786-S788 PolarHBondContact O-N 3.26Å; T786-I789 PolarHBondContact O-N 1.84Å; T786-I790 HydrophobicContact CG2-CD1 3.86Å; T786-I790 HydrophobicContact CG2-CG1 4.31Å; T786-I790 WeakPolarHBondContact O-CG1 3.13Å; T786-I790 PolarHBondContact O-N 1.72Å |
| 787 | N | 83.4 | Confident | 88.8 | Confident | 116 Ų | 116 | 86 Ų | 86 | 62% | 0.62 | 42% | 0.424 | S | S | * | . | H | α-helix | 0 | -40.1 | 0 | -73.8 | -24.8 | 0 | 0 | 0 | 111.5 | L785 I789 K791 | L785-N787 PolarHBondContact O-N 2.91Å; L785-N787 VanDerWaalsContact O-N 3.15Å; N787-I789 VanDerWaalsContact C-N 3.32Å; N787-K791 WeakPolarHBondContact O-CG 3.45Å; N787-K791 PolarHBondContact O-N 3.22Å | |
| 788 | S | 87.4 | Confident | 89.1 | Confident | 77 Ų | 77 | 86.9 Ų | 86.9 | 54% | 0.538 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.4 | -36.5 | 177.8 | -65.7 | 0 | 0 | 0 | 0 | 111.2 | L785 T786 I790 K791 F792 | L785-S788 PolarHBondContact O-N 2.94Å; T786-S788 PolarHBondContact O-N 3.26Å; S788-I790 VanDerWaalsContact C-N 3.31Å; S788-I790 PolarHBondContact O-N 1.89Å; S788-K791 PolarHBondContact O-N 3.3Å; S788-F792 WeakPolarHBondContact O-CB 3.09Å; S788-F792 PolarHBondContact O-N 1.66Å |
| 789 | I | 90.4 | Very high | 89.6 | Confident | 79 Ų | 79 | 92.1 Ų | 92.1 | 41% | 0.405 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.5 | -42 | -177.8 | -72.4 | 176.8 | 0 | 0 | 0 | 109.1 | L785 T786 N787 K791 F792 Q793 | L785-I789 HydrophobicContact CB-CD1 4.17Å; L785-I789 HydrophobicContact CB-CG1 4.48Å; L785-I789 VanDerWaalsContact O-CG1 3.31Å; L785-I789 WeakPolarHBondContact O-CG1 2.52Å; L785-I789 PolarHBondContact O-N 2.86Å; T786-I789 PolarHBondContact O-N 1.84Å; N787-I789 VanDerWaalsContact C-N 3.32Å; I789-K791 VanDerWaalsContact C-N 3.26Å; I789-K791 PolarHBondContact O-N 1.87Å; I789-F792 PolarHBondContact O-N 3.14Å; I789-Q793 HydrophobicContact CG2-CG 3.99Å; I789-Q793 WeakPolarHBondContact O-CB 3.25Å; I789-Q793 WeakPolarHBondContact O-CG 3.1Å; I789-Q793 PolarHBondContact O-N 3.34Å |
| 790 | I | 92.2 | Very high | 90.1 | Very high | 96 Ų | 96 | 93 Ų | 93 | 49% | 0.492 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | -179 | -70.8 | 173.7 | 0 | 0 | 0 | 109.4 | T786 S788 F792 Q793 A794 | T786-I790 HydrophobicContact CG2-CD1 3.86Å; T786-I790 HydrophobicContact CG2-CG1 4.31Å; T786-I790 WeakPolarHBondContact O-CG1 3.13Å; T786-I790 PolarHBondContact O-N 1.72Å; S788-I790 VanDerWaalsContact C-N 3.31Å; S788-I790 PolarHBondContact O-N 1.89Å; I790-F792 VanDerWaalsContact C-N 3.35Å; I790-Q793 PolarHBondContact O-N 1.64Å; I790-A794 WeakPolarHBondContact O-CB 3.44Å; I790-A794 PolarHBondContact O-N 2.99Å |
| 791 | K | 91.7 | Very high | 90.4 | Very high | 144 Ų | 144 | 93.4 Ų | 93.4 | 63% | 0.626 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.5 | -45.5 | 176.8 | -74.7 | -177.4 | -176.4 | 177.5 | 0 | 111.1 | N787 S788 I789 Q793 A794 Y795 | N787-K791 WeakPolarHBondContact O-CG 3.45Å; N787-K791 PolarHBondContact O-N 3.22Å; S788-K791 PolarHBondContact O-N 3.3Å; I789-K791 VanDerWaalsContact C-N 3.26Å; I789-K791 PolarHBondContact O-N 1.87Å; K791-Q793 VanDerWaalsContact C-N 3.28Å; K791-A794 PolarHBondContact O-N 3.45Å; K791-Y795 WeakPolarHBondContact O-CD2 3.32Å; K791-Y795 PolarHBondContact O-N 3.01Å |
| 792 | F | 93.5 | Very high | 90.6 | Very high | 143 Ų | 143 | 97.9 Ų | 97.9 | 63% | 0.627 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.5 | 0 | 178.3 | 171.8 | -106.2 | 0 | 0 | 0 | 110.5 | S788 I789 I790 A794 Y795 A796 | S788-F792 WeakPolarHBondContact O-CB 3.09Å; S788-F792 PolarHBondContact O-N 1.66Å; I789-F792 PolarHBondContact O-N 3.14Å; I790-F792 VanDerWaalsContact C-N 3.35Å; F792-A794 PolarHBondContact O-N 1.5Å; F792-Y795 CarbonylContact O-C 3.47Å; F792-Y795 WeakPolarHBondContact O-CB 3.35Å; F792-Y795 PolarHBondContact O-N 3.42Å; F792-A796 HydrophobicContact CE1-CB 4.48Å; F792-A796 WeakPolarHBondContact O-CB 3.05Å; F792-A796 PolarHBondContact O-N 3.09Å |
| 793 | Q | 91.3 | Very high | 90.8 | Very high | 82 Ų | 82 | 101.7 Ų | 101.7 | 38% | 0.383 | 50% | 0.499 | S | S | . | . | H | α-helix | 0 | -40.7 | 0 | -76.2 | 177.1 | -30 | 0 | 0 | 110.3 | I789 I790 K791 Y795 A796 R797 | I789-Q793 HydrophobicContact CG2-CG 3.99Å; I789-Q793 WeakPolarHBondContact O-CB 3.25Å; I789-Q793 WeakPolarHBondContact O-CG 3.1Å; I789-Q793 PolarHBondContact O-N 3.34Å; I790-Q793 PolarHBondContact O-N 1.64Å; K791-Q793 VanDerWaalsContact C-N 3.28Å; Q793-Y795 VanDerWaalsContact C-N 3.34Å; Q793-Y795 PolarHBondContact O-N 1.7Å; Q793-A796 PolarHBondContact O-N 1.54Å; Q793-R797 VanDerWaalsContact O-CB 3.31Å; Q793-R797 WeakPolarHBondContact O-CB 3.39Å; Q793-R797 VanDerWaalsContact O-CG 3.28Å; Q793-R797 WeakPolarHBondContact O-CG 2.93Å; Q793-R797 PolarHBondContact O-N 1.53Å | |
| 794 | A | 92.7 | Very high | 91.1 | Very high | 61 Ų | 61 | 99.3 Ų | 99.3 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | 0 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I790 K791 F792 G798 | I790-A794 WeakPolarHBondContact O-CB 3.44Å; I790-A794 PolarHBondContact O-N 2.99Å; K791-A794 PolarHBondContact O-N 3.45Å; F792-A794 PolarHBondContact O-N 1.5Å; A794-G798 PolarHBondContact O-N 3.38Å |
| 795 | Y | 94.4 | Very high | 91.4 | Very high | 173 Ų | 173 | 100.5 Ų | 100.5 | 68% | 0.678 | 50% | 0.499 | S | S | * | . | H | α-helix | 0 | -44.3 | 0 | -79.4 | -68.5 | 0 | 0 | 0 | 111.2 | K791 F792 Q793 G798 Y799 | K791-Y795 WeakPolarHBondContact O-CD2 3.32Å; K791-Y795 PolarHBondContact O-N 3.01Å; F792-Y795 CarbonylContact O-C 3.47Å; F792-Y795 WeakPolarHBondContact O-CB 3.35Å; F792-Y795 PolarHBondContact O-N 3.42Å; Q793-Y795 VanDerWaalsContact C-N 3.34Å; Q793-Y795 PolarHBondContact O-N 1.7Å; Y795-G798 PolarHBondContact O-N 3.45Å; Y795-Y799 WeakPolarHBondContact O-CB 3.2Å; Y795-Y799 PolarHBondContact O-N 1.5Å | |
| 796 | A | 93 | Very high | 91.4 | Very high | 31 Ų | 31 | 104.4 Ų | 104.4 | 26% | 0.256 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | 0 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | F792 Q793 G798 Y799 L800 | F792-A796 HydrophobicContact CE1-CB 4.48Å; F792-A796 WeakPolarHBondContact O-CB 3.05Å; F792-A796 PolarHBondContact O-N 3.09Å; Q793-A796 PolarHBondContact O-N 1.54Å; A796-G798 PolarHBondContact O-N 3.17Å; A796-Y799 PolarHBondContact O-N 3.18Å; A796-Y799 VanDerWaalsContact O-N 3.16Å; A796-L800 WeakPolarHBondContact O-CG 3.17Å; A796-L800 PolarHBondContact O-N 3.3Å |
| 797 | R | 92.2 | Very high | 91.4 | Very high | 174 Ų | 174 | 106.3 Ų | 106.3 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | 0 | -40.9 | 0 | -77.4 | -174.3 | -168.8 | 161.3 | 0.3 | 110.6 | Q793 A801 | Q793-R797 VanDerWaalsContact O-CB 3.31Å; Q793-R797 WeakPolarHBondContact O-CB 3.39Å; Q793-R797 VanDerWaalsContact O-CG 3.28Å; Q793-R797 WeakPolarHBondContact O-CG 2.93Å; Q793-R797 PolarHBondContact O-N 1.53Å; R797-A801 VanDerWaalsContact O-CB 3.23Å; R797-A801 WeakPolarHBondContact O-CB 3.38Å; R797-A801 PolarHBondContact O-N 1.78Å | |
| 798 | G | 93.8 | Very high | 91.8 | Very high | 24 Ų | 24 | 109.3 Ų | 109.3 | 25% | 0.247 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -60.2 | -50.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A794 Y795 A796 A801 R802 | A794-G798 PolarHBondContact O-N 3.38Å; Y795-G798 PolarHBondContact O-N 3.45Å; A796-G798 PolarHBondContact O-N 3.17Å; G798-A801 PolarHBondContact O-N 3.28Å; G798-R802 WeakPolarHBondContact O-CG 2.46Å; G798-R802 PolarHBondContact O-N 1.48Å; G798-R802 VanDerWaalsContact O-N 3.09Å |
| 799 | Y | 93.4 | Very high | 92 | Very high | 137 Ų | 137 | 109.2 Ų | 109.2 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.3 | 0 | 180 | 172.9 | -103 | 0 | 0 | 0 | 110.7 | Y795 A796 R802 R803 | Y795-Y799 WeakPolarHBondContact O-CB 3.2Å; Y795-Y799 PolarHBondContact O-N 1.5Å; A796-Y799 PolarHBondContact O-N 3.18Å; A796-Y799 VanDerWaalsContact O-N 3.16Å; Y799-R802 PolarHBondContact O-N 1.51Å; Y799-R803 PolarHBondContact O-N 3.08Å |
| 800 | L | 92.4 | Very high | 92 | Very high | 111 Ų | 111 | 110.9 Ų | 110.9 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | 0 | -39.5 | 0 | -75.5 | 173.8 | 0 | 0 | 0 | 110.1 | A796 R803 A804 | A796-L800 WeakPolarHBondContact O-CG 3.17Å; A796-L800 PolarHBondContact O-N 3.3Å; L800-R803 PolarHBondContact O-N 2.97Å; L800-A804 WeakPolarHBondContact O-CB 2.65Å; L800-A804 PolarHBondContact O-N 1.63Å | |
| 801 | A | 91.8 | Very high | 91.9 | Very high | 63 Ų | 63 | 111.3 Ų | 111.3 | 52% | 0.521 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R797 G798 A804 K805 | R797-A801 VanDerWaalsContact O-CB 3.23Å; R797-A801 WeakPolarHBondContact O-CB 3.38Å; R797-A801 PolarHBondContact O-N 1.78Å; G798-A801 PolarHBondContact O-N 3.28Å; A801-A804 PolarHBondContact O-N 1.74Å; A801-K805 WeakPolarHBondContact O-CB 3.18Å; A801-K805 PolarHBondContact O-N 3.47Å |
| 802 | R | 93.5 | Very high | 92 | Very high | 160 Ų | 160 | 108.1 Ų | 108.1 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.1 | -41.7 | 179.2 | -76.6 | -168.4 | -74.5 | -100.7 | 0.3 | 111.2 | G798 Y799 K805 E806 | G798-R802 WeakPolarHBondContact O-CG 2.46Å; G798-R802 PolarHBondContact O-N 1.48Å; G798-R802 VanDerWaalsContact O-N 3.09Å; Y799-R802 PolarHBondContact O-N 1.51Å; R802-K805 WeakPolarHBondContact O-CB 2.68Å; R802-K805 PolarHBondContact O-N 3.04Å; R802-E806 PolarHBondContact O-N 3.15Å |
| 803 | R | 91.1 | Very high | 91.8 | Very high | 141 Ų | 141 | 106.9 Ų | 106.9 | 53% | 0.532 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 176.4 | -166.2 | 177.7 | 166.8 | 171.3 | 0.7 | 110.5 | Y799 L800 K805 E806 Q807 | Y799-R803 PolarHBondContact O-N 3.08Å; L800-R803 PolarHBondContact O-N 2.97Å; R803-K805 VanDerWaalsContact C-N 3.26Å; R803-K805 PolarHBondContact O-N 1.55Å; R803-E806 PolarHBondContact O-N 1.83Å; R803-Q807 PolarHBondContact O-N 3.32Å |
| 804 | A | 91.1 | Very high | 91.8 | Very high | 55 Ų | 55 | 105.2 Ų | 105.2 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -39.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L800 A801 Q807 R808 | L800-A804 WeakPolarHBondContact O-CB 2.65Å; L800-A804 PolarHBondContact O-N 1.63Å; A801-A804 PolarHBondContact O-N 1.74Å; A804-Q807 PolarHBondContact O-N 2.77Å; A804-R808 WeakPolarHBondContact O-CB 3.15Å; A804-R808 PolarHBondContact O-N 3.39Å |
| 805 | K | 91.3 | Very high | 91.8 | Very high | 140 Ų | 140 | 105.6 Ų | 105.6 | 61% | 0.609 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.1 | 0 | 177 | -179.2 | -176.3 | 174.2 | -179.1 | 0 | 111.2 | A801 R802 R803 Q807 R808 I809 | A801-K805 WeakPolarHBondContact O-CB 3.18Å; A801-K805 PolarHBondContact O-N 3.47Å; R802-K805 WeakPolarHBondContact O-CB 2.68Å; R802-K805 PolarHBondContact O-N 3.04Å; R803-K805 VanDerWaalsContact C-N 3.26Å; R803-K805 PolarHBondContact O-N 1.55Å; K805-Q807 VanDerWaalsContact C-N 3.3Å; K805-Q807 PolarHBondContact O-N 2.91Å; K805-R808 CarbonylContact O-C 3.5Å; K805-R808 WeakPolarHBondContact O-CB 2.91Å; K805-R808 PolarHBondContact O-N 2.97Å; K805-R808 VanDerWaalsContact O-N 3.15Å; K805-I809 HydrophobicContact CG-CD1 4.07Å; K805-I809 HydrophobicContact CG-CG1 4.33Å; K805-I809 WeakPolarHBondContact O-CG1 3.43Å; K805-I809 PolarHBondContact O-N 3.35Å |
| 806 | E | 89.5 | Confident | 91.7 | Very high | 121 Ų | 121 | 104 Ų | 104 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | 0 | -43.8 | 0 | -170.5 | 168.1 | -171.1 | 0 | 0 | 111.4 | R802 R803 R808 I809 Q810 | R802-E806 PolarHBondContact O-N 3.15Å; R803-E806 PolarHBondContact O-N 1.83Å; E806-R808 VanDerWaalsContact C-N 3.3Å; E806-I809 PolarHBondContact O-N 2.86Å; E806-Q810 WeakPolarHBondContact O-CG 3.11Å; E806-Q810 PolarHBondContact O-N 2.89Å | |
| 807 | Q | 89.8 | Confident | 91.7 | Very high | 104 Ų | 104 | 107.2 Ų | 107.2 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 177 | -80.6 | 178.6 | 0.4 | 0 | 0 | 110.6 | R803 A804 K805 I809 Q810 N811 | R803-Q807 PolarHBondContact O-N 3.32Å; A804-Q807 PolarHBondContact O-N 2.77Å; K805-Q807 VanDerWaalsContact C-N 3.3Å; K805-Q807 PolarHBondContact O-N 2.91Å; Q807-I809 VanDerWaalsContact C-N 3.3Å; Q807-I809 PolarHBondContact O-N 3.38Å; Q807-Q810 WeakPolarHBondContact O-CB 2.98Å; Q807-Q810 PolarHBondContact O-N 3.31Å; Q807-N811 PolarHBondContact O-N 3.18Å |
| 808 | R | 91.3 | Very high | 91.7 | Very high | 179 Ų | 179 | 103.8 Ų | 103.8 | 68% | 0.675 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -41.3 | -179.7 | -170.9 | 165.3 | -178.2 | -175.9 | -0.2 | 110.6 | A804 K805 E806 Q810 N811 I812 | A804-R808 WeakPolarHBondContact O-CB 3.15Å; A804-R808 PolarHBondContact O-N 3.39Å; K805-R808 CarbonylContact O-C 3.5Å; K805-R808 WeakPolarHBondContact O-CB 2.91Å; K805-R808 PolarHBondContact O-N 2.97Å; K805-R808 VanDerWaalsContact O-N 3.15Å; E806-R808 VanDerWaalsContact C-N 3.3Å; R808-Q810 VanDerWaalsContact C-N 3.3Å; R808-Q810 PolarHBondContact O-N 3.32Å; R808-N811 CarbonylContact O-C 3.48Å; R808-N811 WeakPolarHBondContact O-CB 3.01Å; R808-N811 PolarHBondContact O-N 2.87Å; R808-N811 VanDerWaalsContact O-N 3.13Å; R808-I812 HydrophobicContact CG-CD1 4.12Å; R808-I812 HydrophobicContact CG-CG1 4.37Å; R808-I812 WeakPolarHBondContact O-CB 3.11Å; R808-I812 WeakPolarHBondContact O-CG1 2.72Å; R808-I812 PolarHBondContact O-N 3.23Å |
| 809 | I | 92 | Very high | 91.6 | Very high | 76 Ų | 76 | 108.2 Ų | 108.2 | 39% | 0.39 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 176.6 | -71.3 | 174.4 | 0 | 0 | 0 | 110.3 | K805 E806 Q807 N811 I812 Q813 | K805-I809 HydrophobicContact CG-CD1 4.07Å; K805-I809 HydrophobicContact CG-CG1 4.33Å; K805-I809 WeakPolarHBondContact O-CG1 3.43Å; K805-I809 PolarHBondContact O-N 3.35Å; E806-I809 PolarHBondContact O-N 2.86Å; Q807-I809 VanDerWaalsContact C-N 3.3Å; Q807-I809 PolarHBondContact O-N 3.38Å; I809-N811 VanDerWaalsContact C-N 3.33Å; I809-I812 PolarHBondContact O-N 3.49Å; I809-Q813 VanDerWaalsContact O-CG 3.3Å; I809-Q813 WeakPolarHBondContact O-CG 2.97Å; I809-Q813 PolarHBondContact O-N 3.4Å |
| 810 | Q | 89.2 | Confident | 91.6 | Very high | 113 Ų | 113 | 111.2 Ų | 111.2 | 53% | 0.528 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.2 | 0 | 176.8 | -75.1 | -179.8 | 3.4 | 0 | 0 | 110.8 | E806 Q807 R808 I812 Q813 A814 | E806-Q810 WeakPolarHBondContact O-CG 3.11Å; E806-Q810 PolarHBondContact O-N 2.89Å; Q807-Q810 WeakPolarHBondContact O-CB 2.98Å; Q807-Q810 PolarHBondContact O-N 3.31Å; R808-Q810 VanDerWaalsContact C-N 3.3Å; R808-Q810 PolarHBondContact O-N 3.32Å; Q810-I812 VanDerWaalsContact C-N 3.32Å; Q810-Q813 PolarHBondContact O-N 2.87Å; Q810-A814 PolarHBondContact O-N 2.91Å |
| 811 | N | 91.5 | Very high | 91.7 | Very high | 105 Ų | 105 | 110.8 Ų | 110.8 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | 0 | -37.2 | 0 | -74.7 | -14.5 | 0 | 0 | 0 | 110.8 | Q807 R808 I809 A814 S815 | Q807-N811 PolarHBondContact O-N 3.18Å; R808-N811 CarbonylContact O-C 3.48Å; R808-N811 WeakPolarHBondContact O-CB 3.01Å; R808-N811 PolarHBondContact O-N 2.87Å; R808-N811 VanDerWaalsContact O-N 3.13Å; I809-N811 VanDerWaalsContact C-N 3.33Å; N811-A814 PolarHBondContact O-N 3.37Å; N811-S815 VanDerWaalsContact O-CB 3.27Å; N811-S815 WeakPolarHBondContact O-CB 3.18Å; N811-S815 PolarHBondContact O-N 2.83Å; N811-S815 PolarHBondContact O-OG 3.41Å | |
| 812 | I | 93 | Very high | 91.7 | Very high | 77 Ų | 77 | 110.9 Ų | 110.9 | 40% | 0.395 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.5 | -43.5 | 179.8 | -72.3 | 173.7 | 0 | 0 | 0 | 109.7 | R808 I809 Q810 A814 S815 K816 | R808-I812 HydrophobicContact CG-CD1 4.12Å; R808-I812 HydrophobicContact CG-CG1 4.37Å; R808-I812 WeakPolarHBondContact O-CB 3.11Å; R808-I812 WeakPolarHBondContact O-CG1 2.72Å; R808-I812 PolarHBondContact O-N 3.23Å; I809-I812 PolarHBondContact O-N 3.49Å; Q810-I812 VanDerWaalsContact C-N 3.32Å; I812-A814 VanDerWaalsContact C-N 3.28Å; I812-A814 PolarHBondContact O-N 2.8Å; I812-S815 CarbonylContact O-C 3.56Å; I812-S815 WeakPolarHBondContact O-CB 3.03Å; I812-S815 PolarHBondContact O-N 3.27Å; I812-S815 VanDerWaalsContact O-N 3.1Å; I812-K816 HydrophobicContact CG2-CD 4.49Å; I812-K816 HydrophobicContact CG2-CG 4.45Å; I812-K816 WeakPolarHBondContact O-CG 3.27Å; I812-K816 PolarHBondContact O-N 2.88Å |
| 813 | Q | 90.3 | Very high | 91.6 | Very high | 118 Ų | 118 | 107.1 Ų | 107.1 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.2 | -43.1 | 176.7 | -72.6 | 178.1 | -13 | 0 | 0 | 111.4 | I809 Q810 S815 K816 I817 | I809-Q813 VanDerWaalsContact O-CG 3.3Å; I809-Q813 WeakPolarHBondContact O-CG 2.97Å; I809-Q813 PolarHBondContact O-N 3.4Å; Q810-Q813 PolarHBondContact O-N 2.87Å; Q813-S815 VanDerWaalsContact C-N 3.27Å; Q813-K816 PolarHBondContact O-N 2.91Å; Q813-I817 VanDerWaalsContact O-CG1 3.28Å; Q813-I817 WeakPolarHBondContact O-CG1 3.27Å; Q813-I817 PolarHBondContact O-N 3.35Å; Q813-I817 VanDerWaalsContact O-N 3.07Å |
| 814 | A | 90.8 | Very high | 91.6 | Very high | 46 Ų | 46 | 102.4 Ų | 102.4 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | 0 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q810 N811 I812 K816 I817 I818 | Q810-A814 PolarHBondContact O-N 2.91Å; N811-A814 PolarHBondContact O-N 3.37Å; I812-A814 VanDerWaalsContact C-N 3.28Å; I812-A814 PolarHBondContact O-N 2.8Å; A814-K816 VanDerWaalsContact C-N 3.31Å; A814-K816 PolarHBondContact O-N 3.37Å; A814-I817 PolarHBondContact O-N 2.98Å; A814-I818 WeakPolarHBondContact O-CG1 2.95Å; A814-I818 PolarHBondContact O-N 3.39Å |
| 815 | S | 92.2 | Very high | 91.5 | Very high | 69 Ų | 69 | 106.3 Ų | 106.3 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | H | α-helix | 0 | -35.6 | 0 | -71.4 | 0 | 0 | 0 | 0 | 110.4 | N811 I812 Q813 I817 I818 Q819 | N811-S815 VanDerWaalsContact O-CB 3.27Å; N811-S815 WeakPolarHBondContact O-CB 3.18Å; N811-S815 PolarHBondContact O-N 2.83Å; N811-S815 PolarHBondContact O-OG 3.41Å; I812-S815 CarbonylContact O-C 3.56Å; I812-S815 WeakPolarHBondContact O-CB 3.03Å; I812-S815 PolarHBondContact O-N 3.27Å; I812-S815 VanDerWaalsContact O-N 3.1Å; Q813-S815 VanDerWaalsContact C-N 3.27Å; S815-I817 VanDerWaalsContact C-N 3.31Å; S815-I817 PolarHBondContact O-N 2.85Å; S815-I818 PolarHBondContact O-N 3.48Å; S815-Q819 WeakPolarHBondContact O-CB 3.01Å; S815-Q819 PolarHBondContact O-N 3.46Å | |
| 816 | K | 92.9 | Very high | 91.4 | Very high | 140 Ų | 140 | 103.6 Ų | 103.6 | 61% | 0.609 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | 179.6 | -79.3 | -175.3 | 178.2 | 177.6 | 0 | 111.2 | I812 Q813 A814 I818 Q819 R820 | I812-K816 HydrophobicContact CG2-CD 4.49Å; I812-K816 HydrophobicContact CG2-CG 4.45Å; I812-K816 WeakPolarHBondContact O-CG 3.27Å; I812-K816 PolarHBondContact O-N 2.88Å; Q813-K816 PolarHBondContact O-N 2.91Å; A814-K816 VanDerWaalsContact C-N 3.31Å; A814-K816 PolarHBondContact O-N 3.37Å; K816-I818 VanDerWaalsContact C-N 3.29Å; K816-Q819 PolarHBondContact O-N 3.26Å; K816-R820 WeakPolarHBondContact O-CB 3.14Å; K816-R820 PolarHBondContact O-N 3.37Å |
| 817 | I | 91.8 | Very high | 91.4 | Very high | 98 Ų | 98 | 106.1 Ų | 106.1 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 178.8 | -68.2 | 173.6 | 0 | 0 | 0 | 109.4 | Q813 A814 S815 Q819 R820 N821 | Q813-I817 VanDerWaalsContact O-CG1 3.28Å; Q813-I817 WeakPolarHBondContact O-CG1 3.27Å; Q813-I817 PolarHBondContact O-N 3.35Å; Q813-I817 VanDerWaalsContact O-N 3.07Å; A814-I817 PolarHBondContact O-N 2.98Å; S815-I817 VanDerWaalsContact C-N 3.31Å; S815-I817 PolarHBondContact O-N 2.85Å; I817-Q819 VanDerWaalsContact C-N 3.28Å; I817-Q819 PolarHBondContact O-N 3.46Å; I817-R820 PolarHBondContact O-N 2.76Å; I817-N821 PolarHBondContact O-N 3.31Å; I817-N821 PolarHBondContact O-ND2 3.31Å |
| 818 | I | 93 | Very high | 91.3 | Very high | 102 Ų | 102 | 104.1 Ų | 104.1 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | -179.5 | -69.2 | 175.1 | 0 | 0 | 0 | 109 | A814 S815 K816 R820 N821 C822 | A814-I818 WeakPolarHBondContact O-CG1 2.95Å; A814-I818 PolarHBondContact O-N 3.39Å; S815-I818 PolarHBondContact O-N 3.48Å; K816-I818 VanDerWaalsContact C-N 3.29Å; I818-R820 VanDerWaalsContact C-N 3.35Å; I818-N821 WeakPolarHBondContact O-CB 3.37Å; I818-N821 PolarHBondContact O-N 2.69Å; I818-C822 PolarHBondContact O-N 3.29Å; I818-C822 PolarHBondContact O-SG 2.77Å |
| 819 | Q | 92.4 | Very high | 91.1 | Very high | 117 Ų | 117 | 101.3 Ų | 101.3 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 179.3 | -172.1 | 177.6 | 5.8 | 0 | 0 | 111.1 | S815 K816 I817 N821 C822 D823 | S815-Q819 WeakPolarHBondContact O-CB 3.01Å; S815-Q819 PolarHBondContact O-N 3.46Å; K816-Q819 PolarHBondContact O-N 3.26Å; I817-Q819 VanDerWaalsContact C-N 3.28Å; I817-Q819 PolarHBondContact O-N 3.46Å; Q819-N821 PolarHBondContact O-N 2.69Å; Q819-C822 PolarHBondContact O-N 3.48Å; Q819-D823 PolarHBondContact O-N 3.29Å |
| 820 | R | 93.3 | Very high | 90.8 | Very high | 200 Ų | 200 | 102.6 Ų | 102.6 | 76% | 0.755 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -55.5 | -41.3 | 177.2 | -173.8 | -179.9 | 169.1 | 170.8 | -1.5 | 111.4 | K816 I817 I818 C822 D823 A824 | K816-R820 WeakPolarHBondContact O-CB 3.14Å; K816-R820 PolarHBondContact O-N 3.37Å; I817-R820 PolarHBondContact O-N 2.76Å; I818-R820 VanDerWaalsContact C-N 3.35Å; R820-C822 VanDerWaalsContact C-N 3.34Å; R820-D823 PolarHBondContact O-N 2.82Å; R820-A824 PolarHBondContact O-N 3.42Å |
| 821 | N | 93.4 | Very high | 90.8 | Very high | 103 Ų | 103 | 103.6 Ų | 103.6 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.2 | -40.8 | 179.3 | -81.4 | -29.2 | 0 | 0 | 0 | 111.1 | I817 I818 Q819 D823 A824 Y825 | I817-N821 PolarHBondContact O-N 3.31Å; I817-N821 PolarHBondContact O-ND2 3.31Å; I818-N821 WeakPolarHBondContact O-CB 3.37Å; I818-N821 PolarHBondContact O-N 2.69Å; Q819-N821 PolarHBondContact O-N 2.69Å; N821-D823 VanDerWaalsContact C-N 3.34Å; N821-A824 PolarHBondContact O-N 3.48Å; N821-Y825 WeakPolarHBondContact O-CB 3.48Å; N821-Y825 PolarHBondContact O-N 3.4Å |
| 822 | C | 91.9 | Very high | 90.6 | Very high | 65 Ų | 65 | 103 Ų | 103 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | 0 | 179 | -73.2 | 0 | 0 | 0 | 0 | 110.1 | I818 Q819 R820 Y825 L826 | I818-C822 PolarHBondContact O-N 3.29Å; I818-C822 PolarHBondContact O-SG 2.77Å; Q819-C822 PolarHBondContact O-N 3.48Å; R820-C822 VanDerWaalsContact C-N 3.34Å; C822-Y825 WeakPolarHBondContact O-CB 3.37Å; C822-Y825 PolarHBondContact O-N 3.25Å; C822-L826 VanDerWaalsContact O-CG 3.31Å; C822-L826 WeakPolarHBondContact O-CG 3.21Å; C822-L826 PolarHBondContact O-N 3.32Å |
| 823 | D | 91.9 | Very high | 90.4 | Very high | 80 Ų | 80 | 107.6 Ų | 107.6 | 43% | 0.428 | 52% | 0.521 | S | S | . | . | H | α-helix | 0 | -44.5 | 0 | -75 | -15.2 | 0 | 0 | 0 | 111.5 | Q819 R820 N821 Y825 L826 K827 | Q819-D823 PolarHBondContact O-N 3.29Å; R820-D823 PolarHBondContact O-N 2.82Å; N821-D823 VanDerWaalsContact C-N 3.34Å; D823-Y825 PolarHBondContact O-N 3.36Å; D823-L826 PolarHBondContact O-N 2.98Å; D823-K827 WeakPolarHBondContact O-CG 3.06Å; D823-K827 PolarHBondContact O-N 2.87Å | |
| 824 | A | 90.2 | Very high | 90.3 | Very high | 43 Ų | 43 | 105.9 Ų | 105.9 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | R820 N821 L826 K827 L828 | R820-A824 PolarHBondContact O-N 3.42Å; N821-A824 PolarHBondContact O-N 3.48Å; A824-L826 VanDerWaalsContact C-N 3.28Å; A824-L826 PolarHBondContact O-N 2.63Å; A824-K827 PolarHBondContact O-N 2.77Å; A824-K827 VanDerWaalsContact O-N 3.13Å; A824-L828 WeakPolarHBondContact O-CB 3.23Å; A824-L828 VanDerWaalsContact O-CG 3.26Å; A824-L828 WeakPolarHBondContact O-CG 3.47Å; A824-L828 PolarHBondContact O-N 2.95Å |
| 825 | Y | 90.2 | Very high | 90 | Very high | 136 Ų | 136 | 110.9 Ų | 110.9 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 179.1 | 174.9 | -105.5 | 0 | 0 | 0 | 110.3 | N821 C822 D823 K827 L828 R829 | N821-Y825 WeakPolarHBondContact O-CB 3.48Å; N821-Y825 PolarHBondContact O-N 3.4Å; C822-Y825 WeakPolarHBondContact O-CB 3.37Å; C822-Y825 PolarHBondContact O-N 3.25Å; D823-Y825 PolarHBondContact O-N 3.36Å; Y825-K827 PolarHBondContact O-N 3.22Å; Y825-L828 PolarHBondContact O-N 2.99Å; Y825-L828 VanDerWaalsContact O-N 3.14Å; Y825-R829 HydrophobicContact CE1-CB 4.5Å; Y825-R829 VanDerWaalsContact O-CB 3.28Å; Y825-R829 WeakPolarHBondContact O-CB 3.11Å; Y825-R829 PolarHBondContact O-N 3.29Å |
| 826 | L | 89.6 | Confident | 89.8 | Confident | 83 Ų | 83 | 112 Ų | 112 | 44% | 0.435 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | 0 | -179 | -76.2 | 170.7 | 0 | 0 | 0 | 110.5 | C822 D823 A824 R829 | C822-L826 VanDerWaalsContact O-CG 3.31Å; C822-L826 WeakPolarHBondContact O-CG 3.21Å; C822-L826 PolarHBondContact O-N 3.32Å; D823-L826 PolarHBondContact O-N 2.98Å; A824-L826 VanDerWaalsContact C-N 3.28Å; A824-L826 PolarHBondContact O-N 2.63Å; L826-R829 WeakPolarHBondContact O-CG 3.49Å |
| 827 | K | 88.3 | Confident | 89.5 | Confident | 175 Ų | 175 | 110.1 Ų | 110.1 | 76% | 0.761 | 51% | 0.511 | S | S | * | . | H | α-helix | 0 | -30.7 | 0 | -76.2 | -178.2 | -175.7 | 176.1 | 0 | 110.8 | D823 A824 Y825 | D823-K827 WeakPolarHBondContact O-CG 3.06Å; D823-K827 PolarHBondContact O-N 2.87Å; A824-K827 PolarHBondContact O-N 2.77Å; A824-K827 VanDerWaalsContact O-N 3.13Å; Y825-K827 PolarHBondContact O-N 3.22Å | |
| 828 | L | 88.9 | Confident | 89.2 | Confident | 61 Ų | 61 | 108.5 Ų | 108.5 | 32% | 0.319 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -93.7 | -20.9 | -170 | -73.8 | 166.2 | 0 | 0 | 0 | 110.1 | A824 Y825 N830 W831 W834 | A824-L828 WeakPolarHBondContact O-CB 3.23Å; A824-L828 VanDerWaalsContact O-CG 3.26Å; A824-L828 WeakPolarHBondContact O-CG 3.47Å; A824-L828 PolarHBondContact O-N 2.95Å; Y825-L828 PolarHBondContact O-N 2.99Å; Y825-L828 VanDerWaalsContact O-N 3.14Å; L828-N830 PolarHBondContact O-N 3.3Å; L828-W831 HydrophobicContact CD2-CE3 3.68Å; L828-W831 HydrophobicContact CD2-CZ3 4.15Å; L828-W831 WeakPolarHBondContact O-CB 3.22Å; L828-W831 PolarHBondContact O-N 3.01Å; L828-W831 VanDerWaalsContact O-N 3.11Å; L828-W834 HydrophobicContact CB-CD2 4.29Å; L828-W834 HydrophobicContact CB-CG 4.43Å; L828-W834 WeakPolarHBondContact O-CB 3.23Å; L828-W834 VanDerWaalsContact O-CG 3.29Å |
| 829 | R | 87.2 | Confident | 88.9 | Confident | 121 Ų | 121 | 111.6 Ų | 111.6 | 46% | 0.457 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 0 | -170.7 | 75.8 | 173.1 | 179.1 | -175.3 | 0.7 | 110.3 | Y825 L826 | Y825-R829 HydrophobicContact CE1-CB 4.5Å; Y825-R829 VanDerWaalsContact O-CB 3.28Å; Y825-R829 WeakPolarHBondContact O-CB 3.11Å; Y825-R829 PolarHBondContact O-N 3.29Å; L826-R829 WeakPolarHBondContact O-CG 3.49Å |
| 830 | N | 84.8 | Confident | 88.7 | Confident | 102 Ų | 102 | 109.1 Ų | 109.1 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 2 | 0 | -66.3 | -29.8 | 0 | 0 | 0 | 110.8 | L828 P832 | L828-N830 PolarHBondContact O-N 3.3Å; N830-P832 WeakPolarHBondContact O-CD 3.21Å | |
| 831 | W | 89.4 | Confident | 88.2 | Confident | 134 Ų | 134 | 107.5 Ų | 107.5 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | trans | -74.8 | 116.1 | 178.4 | -169.2 | 25.2 | 0 | 0 | 0 | 110.9 | L828 W833 W834 R835 | L828-W831 HydrophobicContact CD2-CE3 3.68Å; L828-W831 HydrophobicContact CD2-CZ3 4.15Å; L828-W831 WeakPolarHBondContact O-CB 3.22Å; L828-W831 PolarHBondContact O-N 3.01Å; L828-W831 VanDerWaalsContact O-N 3.11Å; W831-W833 HydrophobicContact CD2-CB 4.03Å; W831-W833 AromaticContact CE2-CD1 3.82Å; W831-W833 HydrophobicContact CE3-CB 4.38Å; W831-W833 HydrophobicContact CH2-CB 4.32Å; W831-W833 HydrophobicContact CZ2-CB 4Å; W831-W833 AromaticContact CZ2-CD1 3.88Å; W831-W833 HydrophobicContact CZ2-CG 4.18Å; W831-W833 AromaticContact NE1-CD1 3.59Å; W831-W833 PolarHBondContact O-N 3.29Å; W831-W833 VanDerWaalsContact O-N 3.1Å; W831-W834 HydrophobicContact CB-CB 4.07Å; W831-W834 WeakPolarHBondContact O-CA 3.5Å; W831-W834 WeakPolarHBondContact O-CB 2.96Å; W831-W834 PolarHBondContact O-N 2.9Å; W831-R835 PolarHBondContact O-N 3.42Å | ||
| 832 | P | 87.5 | Confident | 87.6 | Confident | 94 Ų | 94 | 105.7 Ų | 105.7 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -51.2 | -35.9 | -174.4 | -24.3 | 30 | 0 | 0 | 0 | 111.6 | N830 W834 R835 L836 | N830-P832 WeakPolarHBondContact O-CD 3.21Å; P832-W834 PolarHBondContact O-N 2.66Å; P832-R835 PolarHBondContact O-N 2.91Å; P832-L836 PolarHBondContact O-N 3.32Å; P832-L836 VanDerWaalsContact O-N 3.15Å |
| 833 | W | 89 | Confident | 87.2 | Confident | 173 Ų | 173 | 109.3 Ų | 109.3 | 66% | 0.655 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.6 | -30.8 | -180 | -79.6 | 103.2 | 0 | 0 | 0 | 110.9 | W831 L836 F837 | W831-W833 HydrophobicContact CD2-CB 4.03Å; W831-W833 AromaticContact CE2-CD1 3.82Å; W831-W833 HydrophobicContact CE3-CB 4.38Å; W831-W833 HydrophobicContact CH2-CB 4.32Å; W831-W833 HydrophobicContact CZ2-CB 4Å; W831-W833 AromaticContact CZ2-CD1 3.88Å; W831-W833 HydrophobicContact CZ2-CG 4.18Å; W831-W833 AromaticContact NE1-CD1 3.59Å; W831-W833 PolarHBondContact O-N 3.29Å; W831-W833 VanDerWaalsContact O-N 3.1Å; W833-L836 HydrophobicContact CE3-CD2 4.07Å; W833-L836 HydrophobicContact CZ3-CD2 3.97Å; W833-L836 PolarHBondContact O-N 2.91Å; W833-F837 WeakPolarHBondContact O-CB 3.38Å; W833-F837 PolarHBondContact O-N 2.94Å |
| 834 | W | 87.7 | Confident | 86.7 | Confident | 81 Ų | 81 | 111.6 Ų | 111.6 | 31% | 0.307 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | 0 | 178 | -173 | -109.4 | 0 | 0 | 0 | 110.8 | L828 W831 P832 F837 T838 | L828-W834 HydrophobicContact CB-CD2 4.29Å; L828-W834 HydrophobicContact CB-CG 4.43Å; L828-W834 WeakPolarHBondContact O-CB 3.23Å; L828-W834 VanDerWaalsContact O-CG 3.29Å; W831-W834 HydrophobicContact CB-CB 4.07Å; W831-W834 WeakPolarHBondContact O-CA 3.5Å; W831-W834 WeakPolarHBondContact O-CB 2.96Å; W831-W834 PolarHBondContact O-N 2.9Å; P832-W834 PolarHBondContact O-N 2.66Å; W834-F837 HydrophobicContact CZ3-CD1 4.4Å; W834-F837 PolarHBondContact O-N 3.46Å; W834-T838 HydrophobicContact CD2-CG2 4.37Å; W834-T838 HydrophobicContact CG-CG2 4.41Å; W834-T838 HydrophobicContact CZ2-CG2 4.44Å; W834-T838 WeakPolarHBondContact O-CB 3.11Å; W834-T838 WeakPolarHBondContact O-CG2 3.15Å; W834-T838 PolarHBondContact O-N 2.82Å; W834-T838 PolarHBondContact O-OG1 3.32Å |
| 835 | R | 84.8 | Confident | 86.3 | Confident | 152 Ų | 152 | 112.4 Ų | 112.4 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | H | α-helix | 0 | -40.6 | 0 | -73.2 | -177.4 | -173 | 172.2 | -0 | 110.9 | W831 P832 F837 T838 K839 | W831-R835 PolarHBondContact O-N 3.42Å; P832-R835 PolarHBondContact O-N 2.91Å; R835-F837 VanDerWaalsContact C-N 3.32Å; R835-T838 WeakPolarHBondContact CA-OG1 3.49Å; R835-T838 PolarHBondContact O-OG1 2.77Å; R835-K839 WeakPolarHBondContact O-CG 3.21Å; R835-K839 PolarHBondContact O-N 3.26Å | |
| 836 | L | 87.7 | Confident | 85.8 | Confident | 91 Ų | 91 | 110.7 Ų | 110.7 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 178.2 | -179.3 | 64.6 | 0 | 0 | 0 | 110.9 | P832 W833 T838 K839 V840 | P832-L836 PolarHBondContact O-N 3.32Å; P832-L836 VanDerWaalsContact O-N 3.15Å; W833-L836 HydrophobicContact CE3-CD2 4.07Å; W833-L836 HydrophobicContact CZ3-CD2 3.97Å; W833-L836 PolarHBondContact O-N 2.91Å; L836-T838 VanDerWaalsContact C-N 3.28Å; L836-T838 PolarHBondContact O-N 3.32Å; L836-K839 PolarHBondContact O-N 2.92Å; L836-V840 HydrophobicContact CD1-CG2 4.15Å; L836-V840 HydrophobicContact CG-CG2 4.25Å; L836-V840 VanDerWaalsContact O-CG2 3.26Å; L836-V840 WeakPolarHBondContact O-CG2 3.41Å; L836-V840 PolarHBondContact O-N 2.72Å |
| 837 | F | 86.5 | Confident | 85.3 | Confident | 102 Ų | 102 | 111.4 Ų | 111.4 | 45% | 0.447 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | -177.3 | 176.6 | -104.2 | 0 | 0 | 0 | 110.3 | W833 W834 R835 K839 V840 R841 | W833-F837 WeakPolarHBondContact O-CB 3.38Å; W833-F837 PolarHBondContact O-N 2.94Å; W834-F837 HydrophobicContact CZ3-CD1 4.4Å; W834-F837 PolarHBondContact O-N 3.46Å; R835-F837 VanDerWaalsContact C-N 3.32Å; F837-K839 PolarHBondContact O-N 3.32Å; F837-V840 PolarHBondContact O-N 3.36Å; F837-V840 VanDerWaalsContact O-N 3.14Å; F837-R841 HydrophobicContact CE1-CB 4.44Å; F837-R841 HydrophobicContact CE1-CG 4.38Å; F837-R841 HydrophobicContact CZ-CB 4.47Å; F837-R841 HydrophobicContact CZ-CG 4.23Å; F837-R841 WeakPolarHBondContact O-CB 3.08Å; F837-R841 PolarHBondContact O-N 2.79Å |
| 838 | T | 86 | Confident | 84.9 | Confident | 64 Ų | 64 | 111.1 Ų | 111.1 | 39% | 0.393 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69 | 0 | -178 | 48.5 | 0 | 0 | 0 | 0 | 110.2 | W834 R835 L836 P842 | W834-T838 HydrophobicContact CD2-CG2 4.37Å; W834-T838 HydrophobicContact CG-CG2 4.41Å; W834-T838 HydrophobicContact CZ2-CG2 4.44Å; W834-T838 WeakPolarHBondContact O-CB 3.11Å; W834-T838 WeakPolarHBondContact O-CG2 3.15Å; W834-T838 PolarHBondContact O-N 2.82Å; W834-T838 PolarHBondContact O-OG1 3.32Å; R835-T838 WeakPolarHBondContact CA-OG1 3.49Å; R835-T838 PolarHBondContact O-OG1 2.77Å; L836-T838 VanDerWaalsContact C-N 3.28Å; L836-T838 PolarHBondContact O-N 3.32Å; T838-P842 WeakPolarHBondContact O-CD 3.2Å; T838-P842 WeakPolarHBondContact O-CG 3.4Å |
| 839 | K | 86.6 | Confident | 84.6 | Confident | 166 Ų | 166 | 113.9 Ų | 113.9 | 72% | 0.722 | 54% | 0.539 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -76.6 | -175.1 | -180 | 179.9 | 0 | 110.8 | R835 L836 F837 | R835-K839 WeakPolarHBondContact O-CG 3.21Å; R835-K839 PolarHBondContact O-N 3.26Å; L836-K839 PolarHBondContact O-N 2.92Å; F837-K839 PolarHBondContact O-N 3.32Å | |
| 840 | V | 87.2 | Confident | 84.5 | Confident | 65 Ų | 65 | 114.1 Ų | 114.1 | 39% | 0.394 | 55% | 0.545 | S | S | . | . | H | α-helix | 0 | -32.3 | 0 | 173.6 | 0 | 0 | 0 | 0 | 109.2 | L836 F837 L843 | L836-V840 HydrophobicContact CD1-CG2 4.15Å; L836-V840 HydrophobicContact CG-CG2 4.25Å; L836-V840 VanDerWaalsContact O-CG2 3.26Å; L836-V840 WeakPolarHBondContact O-CG2 3.41Å; L836-V840 PolarHBondContact O-N 2.72Å; F837-V840 PolarHBondContact O-N 3.36Å; F837-V840 VanDerWaalsContact O-N 3.14Å; V840-L843 VanDerWaalsContact O-CB 3.22Å; V840-L843 WeakPolarHBondContact O-CB 3.36Å; V840-L843 PolarHBondContact O-N 3.32Å | |
| 841 | R | 83.2 | Confident | 84.5 | Confident | 166 Ų | 166 | 114.3 Ų | 114.3 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -60.1 | -42.9 | -170.4 | -171 | -179.3 | 164.2 | -170.4 | -0.4 | 111.1 | F837 L843 L844 | F837-R841 HydrophobicContact CE1-CB 4.44Å; F837-R841 HydrophobicContact CE1-CG 4.38Å; F837-R841 HydrophobicContact CZ-CB 4.47Å; F837-R841 HydrophobicContact CZ-CG 4.23Å; F837-R841 WeakPolarHBondContact O-CB 3.08Å; F837-R841 PolarHBondContact O-N 2.79Å; R841-L843 PolarHBondContact O-N 2.84Å; R841-L843 VanDerWaalsContact O-N 3.11Å; R841-L844 PolarHBondContact O-N 2.73Å |
| 842 | P | 80.7 | Confident | 84.3 | Confident | 66 Ų | 66 | 112.7 Ų | 112.7 | 43% | 0.429 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -67.1 | 0 | 179.8 | -23.2 | 29.5 | 0 | 0 | 0 | 111.7 | T838 L844 T845 | T838-P842 WeakPolarHBondContact O-CD 3.2Å; T838-P842 WeakPolarHBondContact O-CG 3.4Å; P842-L844 PolarHBondContact O-N 3.42Å; P842-T845 VanDerWaalsContact O-CG2 3.27Å; P842-T845 WeakPolarHBondContact O-CG2 3.15Å |
| 843 | L | 83.5 | Confident | 84.3 | Confident | 141 Ų | 141 | 111.8 Ų | 111.8 | 74% | 0.738 | 54% | 0.539 | S | S | * | . | G | 310 helix | 0 | 0 | 0 | -66.3 | 174 | 0 | 0 | 0 | 111 | V840 R841 | V840-L843 VanDerWaalsContact O-CB 3.22Å; V840-L843 WeakPolarHBondContact O-CB 3.36Å; V840-L843 PolarHBondContact O-N 3.32Å; R841-L843 PolarHBondContact O-N 2.84Å; R841-L843 VanDerWaalsContact O-N 3.11Å | |
| 844 | L | 82.1 | Confident | 84.3 | Confident | 128 Ų | 128 | 106 Ų | 106 | 67% | 0.67 | 53% | 0.529 | S | S | * | . | 0 | 90.9 | 0 | -86.3 | 121.6 | 0 | 0 | 0 | 110.3 | R841 P842 | R841-L844 PolarHBondContact O-N 2.73Å; P842-L844 PolarHBondContact O-N 3.42Å | |||
| 845 | T | 80.8 | Confident | 84.4 | Confident | 59 Ų | 59 | 105.9 Ų | 105.9 | 36% | 0.362 | 54% | 0.537 | S | S | . | . | trans | -99.4 | -5.7 | -161.6 | 48 | 0 | 0 | 0 | 0 | 109.7 | P842 T847 R848 Q849 | P842-T845 VanDerWaalsContact O-CG2 3.27Å; P842-T845 WeakPolarHBondContact O-CG2 3.15Å; T845-T847 PolarHBondContact O-N 2.28Å; T845-R848 PolarHBondContact O-N 2.99Å; T845-Q849 VanDerWaalsContact O-CB 3.29Å; T845-Q849 WeakPolarHBondContact O-CB 3.21Å; T845-Q849 WeakPolarHBondContact O-CG 3.14Å; T845-Q849 PolarHBondContact O-N 2.74Å | ||
| 846 | V | 80 | Confident | 84.6 | Confident | 101 Ų | 101 | 103.8 Ų | 103.8 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -72.6 | -38.7 | -167.3 | -179.2 | 0 | 0 | 0 | 0 | 109 | E850 | V846-E850 PolarHBondContact O-N 3.34Å |
| 847 | T | 79.5 | Confident | 84.7 | Confident | 97 Ų | 97 | 105.4 Ų | 105.4 | 60% | 0.595 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -78.2 | -30.3 | -179.5 | 21.6 | 0 | 0 | 0 | 0 | 110.3 | T845 E850 D851 | T845-T847 PolarHBondContact O-N 2.28Å; T847-E850 PolarHBondContact O-N 2.98Å; T847-D851 PolarHBondContact O-N 2.9Å |
| 848 | R | 79 | Confident | 84.8 | Confident | 170 Ų | 170 | 104 Ų | 104 | 64% | 0.642 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.6 | -40.2 | 176.5 | -169.3 | 177 | 167.5 | 160.8 | -1.3 | 111.2 | T845 E850 D851 L852 | T845-R848 PolarHBondContact O-N 2.99Å; R848-E850 VanDerWaalsContact C-N 3.32Å; R848-E850 PolarHBondContact O-N 3.49Å; R848-D851 PolarHBondContact O-N 2.73Å; R848-L852 WeakPolarHBondContact O-CB 3.16Å; R848-L852 PolarHBondContact O-N 3.43Å |
| 849 | Q | 83.7 | Confident | 85 | Confident | 119 Ų | 119 | 105.3 Ų | 105.3 | 56% | 0.556 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.5 | -35.8 | 178.8 | -80 | -177.7 | -8.4 | 0 | 0 | 111.1 | T845 L852 V853 | T845-Q849 VanDerWaalsContact O-CB 3.29Å; T845-Q849 WeakPolarHBondContact O-CB 3.21Å; T845-Q849 WeakPolarHBondContact O-CG 3.14Å; T845-Q849 PolarHBondContact O-N 2.74Å; Q849-L852 PolarHBondContact O-N 3.35Å; Q849-V853 WeakPolarHBondContact O-CB 2.91Å; Q849-V853 WeakPolarHBondContact O-CG2 2.96Å; Q849-V853 PolarHBondContact O-N 2.87Å |
| 850 | E | 84.8 | Confident | 85.1 | Confident | 125 Ų | 125 | 101.7 Ų | 101.7 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.2 | -43.1 | 177.6 | -84.4 | -178.5 | 177.7 | 0 | 0 | 110.7 | V846 T847 R848 L852 V853 A854 | V846-E850 PolarHBondContact O-N 3.34Å; T847-E850 PolarHBondContact O-N 2.98Å; R848-E850 VanDerWaalsContact C-N 3.32Å; R848-E850 PolarHBondContact O-N 3.49Å; E850-L852 VanDerWaalsContact C-N 3.26Å; E850-V853 PolarHBondContact O-N 2.89Å; E850-A854 WeakPolarHBondContact O-CB 2.61Å; E850-A854 PolarHBondContact O-N 2.84Å |
| 851 | D | 84.6 | Confident | 85.3 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 57% | 0.572 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.7 | 0 | 177.7 | -76.5 | -14.6 | 0 | 0 | 0 | 110.9 | T847 R848 V853 A854 V855 | T847-D851 PolarHBondContact O-N 2.9Å; R848-D851 PolarHBondContact O-N 2.73Å; D851-V853 VanDerWaalsContact C-N 3.31Å; D851-A854 PolarHBondContact O-N 3.5Å; D851-V855 WeakPolarHBondContact O-CB 3.28Å; D851-V855 WeakPolarHBondContact O-CG2 2.78Å; D851-V855 PolarHBondContact O-N 2.89Å |
| 852 | L | 85.7 | Confident | 85.5 | Confident | 100 Ų | 100 | 102 Ų | 102 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | 0 | -39 | 0 | -169.4 | 84 | 0 | 0 | 0 | 111.1 | R848 Q849 E850 A854 V855 K856 | R848-L852 WeakPolarHBondContact O-CB 3.16Å; R848-L852 PolarHBondContact O-N 3.43Å; Q849-L852 PolarHBondContact O-N 3.35Å; E850-L852 VanDerWaalsContact C-N 3.26Å; L852-A854 VanDerWaalsContact C-N 3.33Å; L852-V855 PolarHBondContact O-N 3.49Å; L852-K856 HydrophobicContact CG-CG 4.33Å; L852-K856 VanDerWaalsContact O-CB 3.26Å; L852-K856 WeakPolarHBondContact O-CB 2.88Å; L852-K856 WeakPolarHBondContact O-CG 3.27Å; L852-K856 PolarHBondContact O-N 3.47Å | |
| 853 | V | 87.8 | Confident | 86 | Confident | 74 Ų | 74 | 103.6 Ų | 103.6 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.4 | -40.5 | 179.4 | 170.1 | 0 | 0 | 0 | 0 | 109.2 | Q849 E850 D851 V855 K856 E857 | Q849-V853 WeakPolarHBondContact O-CB 2.91Å; Q849-V853 WeakPolarHBondContact O-CG2 2.96Å; Q849-V853 PolarHBondContact O-N 2.87Å; E850-V853 PolarHBondContact O-N 2.89Å; D851-V853 VanDerWaalsContact C-N 3.31Å; V853-V855 VanDerWaalsContact C-N 3.32Å; V853-V855 PolarHBondContact O-N 2.84Å; V853-K856 PolarHBondContact O-N 3.33Å; V853-E857 HydrophobicContact CG1-CG 4.08Å; V853-E857 VanDerWaalsContact O-CB 3.23Å; V853-E857 WeakPolarHBondContact O-CB 2.97Å; V853-E857 WeakPolarHBondContact O-CG 3.18Å; V853-E857 PolarHBondContact O-N 3.4Å |
| 854 | A | 88.9 | Confident | 86.3 | Confident | 52 Ų | 52 | 105.5 Ų | 105.5 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | E850 D851 L852 E857 E858 | E850-A854 WeakPolarHBondContact O-CB 2.61Å; E850-A854 PolarHBondContact O-N 2.84Å; D851-A854 PolarHBondContact O-N 3.5Å; L852-A854 VanDerWaalsContact C-N 3.33Å; A854-E857 PolarHBondContact O-N 2.82Å; A854-E858 PolarHBondContact O-N 2.77Å |
| 855 | V | 88.7 | Confident | 86.6 | Confident | 78 Ų | 78 | 103.7 Ų | 103.7 | 47% | 0.473 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.3 | 0 | 179.2 | 171.1 | 0 | 0 | 0 | 0 | 109.4 | D851 L852 V853 E857 E858 E859 | D851-V855 WeakPolarHBondContact O-CB 3.28Å; D851-V855 WeakPolarHBondContact O-CG2 2.78Å; D851-V855 PolarHBondContact O-N 2.89Å; L852-V855 PolarHBondContact O-N 3.49Å; V853-V855 VanDerWaalsContact C-N 3.32Å; V853-V855 PolarHBondContact O-N 2.84Å; V855-E857 VanDerWaalsContact C-N 3.31Å; V855-E858 PolarHBondContact O-N 2.77Å; V855-E859 HydrophobicContact CG1-CG 4.38Å; V855-E859 WeakPolarHBondContact O-CB 3.35Å; V855-E859 WeakPolarHBondContact O-CG 3.27Å; V855-E859 PolarHBondContact O-N 2.82Å |
| 856 | K | 88.9 | Confident | 87 | Confident | 109 Ų | 109 | 107.1 Ų | 107.1 | 47% | 0.474 | 52% | 0.52 | S | S | . | . | H | α-helix | 0 | -36 | 0 | -73.9 | -66.4 | -177.4 | -179.7 | 0 | 111.3 | L852 V853 E859 L860 | L852-K856 HydrophobicContact CG-CG 4.33Å; L852-K856 VanDerWaalsContact O-CB 3.26Å; L852-K856 WeakPolarHBondContact O-CB 2.88Å; L852-K856 WeakPolarHBondContact O-CG 3.27Å; L852-K856 PolarHBondContact O-N 3.47Å; V853-K856 PolarHBondContact O-N 3.33Å; K856-E859 IonicContact NZ-OE2 3.52Å; K856-E859 PolarHBondContact O-N 2.85Å; K856-L860 WeakPolarHBondContact O-CB 3.41Å; K856-L860 WeakPolarHBondContact O-CG 3.02Å; K856-L860 PolarHBondContact O-N 3.35Å | |
| 857 | E | 90.4 | Very high | 87.3 | Confident | 125 Ų | 125 | 108.3 Ų | 108.3 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66 | -42.1 | 177.5 | -80.7 | -179.1 | 170.8 | 0 | 0 | 110.3 | V853 A854 V855 E859 L860 R861 | V853-E857 HydrophobicContact CG1-CG 4.08Å; V853-E857 VanDerWaalsContact O-CB 3.23Å; V853-E857 WeakPolarHBondContact O-CB 2.97Å; V853-E857 WeakPolarHBondContact O-CG 3.18Å; V853-E857 PolarHBondContact O-N 3.4Å; A854-E857 PolarHBondContact O-N 2.82Å; V855-E857 VanDerWaalsContact C-N 3.31Å; E857-E859 VanDerWaalsContact C-N 3.35Å; E857-L860 PolarHBondContact O-N 3.45Å; E857-R861 WeakPolarHBondContact O-CB 3.16Å; E857-R861 PolarHBondContact O-N 2.86Å |
| 858 | E | 88.6 | Confident | 87.8 | Confident | 73 Ų | 73 | 109.8 Ų | 109.8 | 34% | 0.341 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | 0 | 176.9 | -178.5 | 60 | -155.9 | 0 | 0 | 110.7 | A854 V855 R861 K862 | A854-E858 PolarHBondContact O-N 2.77Å; V855-E858 PolarHBondContact O-N 2.77Å; E858-R861 PolarHBondContact O-N 2.85Å; E858-R861 IonicContact OE1-CZ 3.83Å; E858-R861 IonicContact OE1-NE 3.59Å; E858-R861 PolarHBondContact OE1-NE 3.2Å; E858-R861 IonicContact OE1-NH2 3.65Å; E858-R861 PolarHBondContact OE1-NH2 2.8Å; E858-R861 IonicContact OE2-CZ 3.97Å; E858-R861 IonicContact OE2-NE 2.49Å; E858-R861 PolarHBondContact OE2-NE 3.12Å; E858-R861 IonicContact OE2-NH2 3.6Å; E858-R861 PolarHBondContact OE2-NH2 3.39Å; E858-K862 PolarHBondContact O-N 3.46Å |
| 859 | E | 89.2 | Confident | 88.2 | Confident | 90 Ų | 90 | 106.7 Ų | 106.7 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -75.8 | 177.9 | 177.4 | 0 | 0 | 111.4 | V855 K856 E857 R861 K862 I863 | V855-E859 HydrophobicContact CG1-CG 4.38Å; V855-E859 WeakPolarHBondContact O-CB 3.35Å; V855-E859 WeakPolarHBondContact O-CG 3.27Å; V855-E859 PolarHBondContact O-N 2.82Å; K856-E859 IonicContact NZ-OE2 3.52Å; K856-E859 PolarHBondContact O-N 2.85Å; E857-E859 VanDerWaalsContact C-N 3.35Å; E859-R861 VanDerWaalsContact C-N 3.27Å; E859-R861 PolarHBondContact O-N 2.12Å; E859-K862 PolarHBondContact O-N 2.31Å; E859-I863 VanDerWaalsContact O-CG1 3.25Å; E859-I863 WeakPolarHBondContact O-CG1 3.39Å; E859-I863 PolarHBondContact O-N 2.32Å | |
| 860 | L | 89.4 | Confident | 88.4 | Confident | 90 Ų | 90 | 105.1 Ų | 105.1 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | 0 | -35.3 | 0 | -78.4 | 172.6 | 0 | 0 | 0 | 110.5 | K856 E857 I863 R864 | K856-L860 WeakPolarHBondContact O-CB 3.41Å; K856-L860 WeakPolarHBondContact O-CG 3.02Å; K856-L860 PolarHBondContact O-N 3.35Å; E857-L860 PolarHBondContact O-N 3.45Å; L860-I863 PolarHBondContact O-N 2.72Å; L860-R864 VanDerWaalsContact O-CB 3.28Å; L860-R864 WeakPolarHBondContact O-CB 3.41Å; L860-R864 WeakPolarHBondContact O-CG 3.08Å; L860-R864 PolarHBondContact O-N 2.71Å | |
| 861 | R | 90.7 | Very high | 88.7 | Confident | 119 Ų | 119 | 102.3 Ų | 102.3 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | 0 | 178.4 | -173.2 | -175.6 | 58.4 | 120 | -0.3 | 110.2 | E857 E858 E859 R864 E865 | E857-R861 WeakPolarHBondContact O-CB 3.16Å; E857-R861 PolarHBondContact O-N 2.86Å; E858-R861 PolarHBondContact O-N 2.85Å; E858-R861 IonicContact OE1-CZ 3.83Å; E858-R861 IonicContact OE1-NE 3.59Å; E858-R861 PolarHBondContact OE1-NE 3.2Å; E858-R861 IonicContact OE1-NH2 3.65Å; E858-R861 PolarHBondContact OE1-NH2 2.8Å; E858-R861 IonicContact OE2-CZ 3.97Å; E858-R861 IonicContact OE2-NE 2.49Å; E858-R861 PolarHBondContact OE2-NE 3.12Å; E858-R861 IonicContact OE2-NH2 3.6Å; E858-R861 PolarHBondContact OE2-NH2 3.39Å; E859-R861 VanDerWaalsContact C-N 3.27Å; E859-R861 PolarHBondContact O-N 2.12Å; R861-R864 PolarHBondContact O-N 3.37Å; R861-E865 IonicContact NH1-OE1 2.7Å; R861-E865 WeakPolarHBondContact O-CG 1.99Å; R861-E865 PolarHBondContact O-N 3.32Å |
| 862 | K | 89.5 | Confident | 88.8 | Confident | 119 Ų | 119 | 101.1 Ų | 101.1 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -77.4 | -175.7 | -177.6 | 178.1 | 0 | 110.7 | E858 E859 E865 Q866 | E858-K862 PolarHBondContact O-N 3.46Å; E859-K862 PolarHBondContact O-N 2.31Å; K862-E865 PolarHBondContact O-N 2.25Å; K862-Q866 WeakPolarHBondContact O-CG 3.27Å; K862-Q866 PolarHBondContact O-N 3.33Å | |
| 863 | I | 89.7 | Confident | 88.8 | Confident | 99 Ų | 99 | 101.5 Ų | 101.5 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | 0 | -40 | 0 | -70.8 | 175.4 | 0 | 0 | 0 | 109.7 | E859 L860 E865 Q866 M867 | E859-I863 VanDerWaalsContact O-CG1 3.25Å; E859-I863 WeakPolarHBondContact O-CG1 3.39Å; E859-I863 PolarHBondContact O-N 2.32Å; L860-I863 PolarHBondContact O-N 2.72Å; I863-E865 VanDerWaalsContact C-N 3.35Å; I863-Q866 PolarHBondContact O-N 3.19Å; I863-M867 VanDerWaalsContact O-CB 3.27Å; I863-M867 WeakPolarHBondContact O-CB 2.63Å; I863-M867 PolarHBondContact O-N 2.46Å | |
| 864 | R | 91 | Very high | 88.8 | Confident | 181 Ų | 181 | 103.1 Ų | 103.1 | 68% | 0.683 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.5 | -42.3 | 177.9 | -81.6 | -173.1 | -168.1 | -179.9 | -0.8 | 111 | L860 R861 M867 E868 | L860-R864 VanDerWaalsContact O-CB 3.28Å; L860-R864 WeakPolarHBondContact O-CB 3.41Å; L860-R864 WeakPolarHBondContact O-CG 3.08Å; L860-R864 PolarHBondContact O-N 2.71Å; R861-R864 PolarHBondContact O-N 3.37Å; R864-M867 PolarHBondContact O-N 3.3Å; R864-E868 WeakPolarHBondContact O-CB 3.28Å; R864-E868 PolarHBondContact O-N 3.35Å |
| 865 | E | 87.1 | Confident | 88.8 | Confident | 90 Ų | 90 | 104 Ų | 104 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | 0 | 178.9 | -76.7 | 175.3 | 179.8 | 0 | 0 | 110.5 | R861 K862 I863 E868 K869 | R861-E865 IonicContact NH1-OE1 2.7Å; R861-E865 WeakPolarHBondContact O-CG 1.99Å; R861-E865 PolarHBondContact O-N 3.32Å; K862-E865 PolarHBondContact O-N 2.25Å; I863-E865 VanDerWaalsContact C-N 3.35Å; E865-E868 PolarHBondContact O-N 2.53Å; E865-K869 WeakPolarHBondContact O-CG 2.26Å; E865-K869 PolarHBondContact O-N 2.07Å |
| 866 | Q | 89.1 | Confident | 88.6 | Confident | 131 Ų | 131 | 106.5 Ų | 106.5 | 61% | 0.612 | 50% | 0.503 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -74.4 | 179.1 | -11.7 | 0 | 0 | 111.1 | K862 I863 K869 V870 | K862-Q866 WeakPolarHBondContact O-CG 3.27Å; K862-Q866 PolarHBondContact O-N 3.33Å; I863-Q866 PolarHBondContact O-N 3.19Å; Q866-K869 WeakPolarHBondContact O-CB 2.35Å; Q866-K869 PolarHBondContact O-N 3.41Å; Q866-V870 WeakPolarHBondContact O-CG2 2.15Å; Q866-V870 PolarHBondContact O-N 3.33Å | |
| 867 | M | 87 | Confident | 88.2 | Confident | 127 Ų | 127 | 107.7 Ų | 107.7 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | 0 | -42.2 | 0 | -166.5 | 178 | 174.1 | 0 | 0 | 110.7 | I863 R864 K869 V870 V871 | I863-M867 VanDerWaalsContact O-CB 3.27Å; I863-M867 WeakPolarHBondContact O-CB 2.63Å; I863-M867 PolarHBondContact O-N 2.46Å; R864-M867 PolarHBondContact O-N 3.3Å; M867-K869 VanDerWaalsContact C-N 3.29Å; M867-K869 PolarHBondContact O-N 3.31Å; M867-V870 PolarHBondContact O-N 2.82Å; M867-V871 HydrophobicContact CG-CG2 4.37Å; M867-V871 WeakPolarHBondContact O-CB 2.38Å; M867-V871 WeakPolarHBondContact O-CG2 2.74Å; M867-V871 PolarHBondContact O-N 1.99Å | |
| 868 | E | 90.5 | Very high | 88.1 | Confident | 127 Ų | 127 | 106.3 Ų | 106.3 | 59% | 0.593 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | 0 | 178.1 | -169.1 | 176 | 177.7 | 0 | 0 | 110.5 | R864 E865 V871 N872 | R864-E868 WeakPolarHBondContact O-CB 3.28Å; R864-E868 PolarHBondContact O-N 3.35Å; E865-E868 PolarHBondContact O-N 2.53Å; E868-V871 PolarHBondContact O-N 3.31Å; E868-N872 VanDerWaalsContact O-CG 3.31Å; E868-N872 PolarHBondContact O-N 1.91Å; E868-N872 PolarHBondContact O-ND2 1.85Å |
| 869 | K | 86.5 | Confident | 88.1 | Confident | 106 Ų | 106 | 111.7 Ų | 111.7 | 46% | 0.461 | 52% | 0.523 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -77 | -175.6 | -176 | 178.9 | 0 | 110.7 | E865 Q866 M867 V871 N872 E873 | E865-K869 WeakPolarHBondContact O-CG 2.26Å; E865-K869 PolarHBondContact O-N 2.07Å; Q866-K869 WeakPolarHBondContact O-CB 2.35Å; Q866-K869 PolarHBondContact O-N 3.41Å; M867-K869 VanDerWaalsContact C-N 3.29Å; M867-K869 PolarHBondContact O-N 3.31Å; K869-V871 VanDerWaalsContact C-N 3.35Å; K869-N872 PolarHBondContact O-N 3.45Å; K869-E873 WeakPolarHBondContact O-CG 2.69Å; K869-E873 PolarHBondContact O-N 1.88Å | |
| 870 | V | 87.8 | Confident | 87.8 | Confident | 86 Ų | 86 | 110.3 Ų | 110.3 | 52% | 0.521 | 52% | 0.524 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 170.7 | 0 | 0 | 0 | 0 | 109.9 | Q866 M867 E873 L874 | Q866-V870 WeakPolarHBondContact O-CG2 2.15Å; Q866-V870 PolarHBondContact O-N 3.33Å; M867-V870 PolarHBondContact O-N 2.82Å; V870-E873 PolarHBondContact O-N 3.14Å; V870-L874 WeakPolarHBondContact O-CB 2.96Å; V870-L874 PolarHBondContact O-N 2.02Å | |
| 871 | V | 90.7 | Very high | 87.6 | Confident | 65 Ų | 65 | 113.9 Ų | 113.9 | 39% | 0.394 | 53% | 0.532 | S | S | . | . | H | α-helix | 0 | -44.2 | 0 | 169.4 | 0 | 0 | 0 | 0 | 109.5 | M867 E868 K869 E873 L874 N875 | M867-V871 HydrophobicContact CG-CG2 4.37Å; M867-V871 WeakPolarHBondContact O-CB 2.38Å; M867-V871 WeakPolarHBondContact O-CG2 2.74Å; M867-V871 PolarHBondContact O-N 1.99Å; E868-V871 PolarHBondContact O-N 3.31Å; K869-V871 VanDerWaalsContact C-N 3.35Å; V871-E873 VanDerWaalsContact C-N 3.33Å; V871-L874 PolarHBondContact O-N 3.2Å; V871-N875 PolarHBondContact O-N 3Å | |
| 872 | N | 88.2 | Confident | 87.6 | Confident | 83 Ų | 83 | 113 Ų | 113 | 44% | 0.444 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.5 | 0 | 177.7 | -76 | -17.5 | 0 | 0 | 0 | 110.9 | E868 K869 N875 E876 | E868-N872 VanDerWaalsContact O-CG 3.31Å; E868-N872 PolarHBondContact O-N 1.91Å; E868-N872 PolarHBondContact O-ND2 1.85Å; K869-N872 PolarHBondContact O-N 3.45Å; N872-N875 PolarHBondContact O-N 3.39Å; N872-E876 WeakPolarHBondContact O-CG 3.32Å; N872-E876 PolarHBondContact O-N 2.71Å |
| 873 | E | 85 | Confident | 87.4 | Confident | 108 Ų | 108 | 113.6 Ų | 113.6 | 51% | 0.505 | 54% | 0.535 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -73.5 | 175.4 | -176.8 | 0 | 0 | 110.9 | K869 V870 V871 E876 M877 | K869-E873 WeakPolarHBondContact O-CG 2.69Å; K869-E873 PolarHBondContact O-N 1.88Å; V870-E873 PolarHBondContact O-N 3.14Å; V871-E873 VanDerWaalsContact C-N 3.33Å; E873-E876 PolarHBondContact O-N 3.02Å; E873-M877 WeakPolarHBondContact O-CG 2.56Å; E873-M877 PolarHBondContact O-N 3.4Å | |
| 874 | L | 87.2 | Confident | 87.1 | Confident | 107 Ų | 107 | 113.7 Ų | 113.7 | 56% | 0.56 | 54% | 0.536 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -161.5 | 136.1 | 0 | 0 | 0 | 110.7 | V870 V871 M877 Q878 | V870-L874 WeakPolarHBondContact O-CB 2.96Å; V870-L874 PolarHBondContact O-N 2.02Å; V871-L874 PolarHBondContact O-N 3.2Å; L874-M877 PolarHBondContact O-N 3.33Å; L874-Q878 WeakPolarHBondContact O-CB 2.86Å; L874-Q878 PolarHBondContact O-N 3.46Å | |
| 875 | N | 89.7 | Confident | 87 | Confident | 72 Ų | 72 | 107.4 Ų | 107.4 | 39% | 0.385 | 52% | 0.52 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -77.5 | -20.2 | 0 | 0 | 0 | 111 | V871 N872 Q878 R879 | V871-N875 PolarHBondContact O-N 3Å; N872-N875 PolarHBondContact O-N 3.39Å; N875-Q878 PolarHBondContact O-N 3.34Å; N875-R879 WeakPolarHBondContact O-CG 3.32Å; N875-R879 PolarHBondContact O-N 3.08Å | |
| 876 | E | 84.6 | Confident | 87.1 | Confident | 129 Ų | 129 | 108.3 Ų | 108.3 | 60% | 0.603 | 53% | 0.528 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -74.4 | 177.6 | -179.2 | 0 | 0 | 110.6 | N872 E873 Q878 R879 S880 | N872-E876 WeakPolarHBondContact O-CG 3.32Å; N872-E876 PolarHBondContact O-N 2.71Å; E873-E876 PolarHBondContact O-N 3.02Å; E876-Q878 VanDerWaalsContact C-N 3.34Å; E876-R879 PolarHBondContact O-N 3.34Å; E876-S880 PolarHBondContact O-N 3.44Å | |
| 877 | M | 80.8 | Confident | 86.9 | Confident | 135 Ų | 135 | 106 Ų | 106 | 67% | 0.665 | 52% | 0.517 | S | S | * | . | H | α-helix | 0 | -34.2 | 0 | -74.5 | -59.2 | -70.6 | 0 | 0 | 111.1 | E873 L874 S880 Y881 | E873-M877 WeakPolarHBondContact O-CG 2.56Å; E873-M877 PolarHBondContact O-N 3.4Å; L874-M877 PolarHBondContact O-N 3.33Å; M877-S880 PolarHBondContact O-N 3.01Å; M877-Y881 PolarHBondContact O-N 3.3Å | |
| 878 | Q | 88.3 | Confident | 86.9 | Confident | 95 Ų | 95 | 106.7 Ų | 106.7 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.4 | 0 | 177.7 | -172.2 | 171.6 | -11.7 | 0 | 0 | 110.6 | L874 N875 E876 S880 Y881 E882 | L874-Q878 WeakPolarHBondContact O-CB 2.86Å; L874-Q878 PolarHBondContact O-N 3.46Å; N875-Q878 PolarHBondContact O-N 3.34Å; E876-Q878 VanDerWaalsContact C-N 3.34Å; Q878-S880 VanDerWaalsContact C-N 3.26Å; Q878-S880 PolarHBondContact O-N 3.45Å; Q878-Y881 WeakPolarHBondContact O-CB 3.13Å; Q878-Y881 PolarHBondContact O-N 3.3Å; Q878-E882 WeakPolarHBondContact O-CG 3.47Å; Q878-E882 PolarHBondContact O-N 3.34Å |
| 879 | R | 88.1 | Confident | 86.9 | Confident | 187 Ų | 187 | 105.8 Ų | 105.8 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -76.1 | -177.8 | -170.7 | 175.3 | -1.5 | 110.5 | N875 E876 E882 K883 | N875-R879 WeakPolarHBondContact O-CG 3.32Å; N875-R879 PolarHBondContact O-N 3.08Å; E876-R879 PolarHBondContact O-N 3.34Å; R879-E882 PolarHBondContact O-N 3.19Å; R879-K883 PolarHBondContact O-N 3.2Å | |
| 880 | S | 82.9 | Confident | 87 | Confident | 61 Ų | 61 | 106.4 Ų | 106.4 | 43% | 0.427 | 52% | 0.519 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | E876 M877 Q878 K883 L884 | E876-S880 PolarHBondContact O-N 3.44Å; M877-S880 PolarHBondContact O-N 3.01Å; Q878-S880 VanDerWaalsContact C-N 3.26Å; Q878-S880 PolarHBondContact O-N 3.45Å; S880-K883 PolarHBondContact O-N 2.8Å; S880-L884 WeakPolarHBondContact O-CG 3.28Å; S880-L884 PolarHBondContact O-N 3.47Å | |
| 881 | Y | 85.7 | Confident | 86.8 | Confident | 164 Ų | 164 | 107.4 Ų | 107.4 | 64% | 0.643 | 52% | 0.521 | S | S | * | . | H | α-helix | 0 | 0 | 0 | 177.3 | -100.6 | 0 | 0 | 0 | 111.3 | M877 Q878 L884 S885 | M877-Y881 PolarHBondContact O-N 3.3Å; Q878-Y881 WeakPolarHBondContact O-CB 3.13Å; Q878-Y881 PolarHBondContact O-N 3.3Å; Y881-L884 PolarHBondContact O-N 2.9Å; Y881-S885 WeakPolarHBondContact O-CB 3.47Å; Y881-S885 PolarHBondContact O-N 3.26Å | |
| 882 | E | 90.2 | Very high | 86.6 | Confident | 101 Ų | 101 | 108.1 Ų | 108.1 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -75.9 | 176.4 | -178.7 | 0 | 0 | 110.5 | Q878 R879 L884 S885 N886 | Q878-E882 WeakPolarHBondContact O-CG 3.47Å; Q878-E882 PolarHBondContact O-N 3.34Å; R879-E882 PolarHBondContact O-N 3.19Å; E882-L884 VanDerWaalsContact C-N 3.33Å; E882-S885 PolarHBondContact O-N 2.73Å; E882-N886 PolarHBondContact O-N 2.87Å | |
| 883 | K | 86.2 | Confident | 86.5 | Confident | 132 Ų | 132 | 107.2 Ų | 107.2 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -173.1 | 178.1 | 176.4 | -178.2 | 0 | 110.5 | R879 S880 N886 E887 | R879-K883 PolarHBondContact O-N 3.2Å; S880-K883 PolarHBondContact O-N 2.8Å; K883-N886 PolarHBondContact O-N 3.5Å; K883-E887 WeakPolarHBondContact O-CG 3.38Å; K883-E887 PolarHBondContact O-N 3.49Å | |
| 884 | L | 83.5 | Confident | 86.4 | Confident | 101 Ų | 101 | 106.5 Ų | 106.5 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | 0 | -36 | 0 | -75.2 | 172.6 | 0 | 0 | 0 | 110.7 | S880 Y881 E882 E887 K888 | S880-L884 WeakPolarHBondContact O-CG 3.28Å; S880-L884 PolarHBondContact O-N 3.47Å; Y881-L884 PolarHBondContact O-N 2.9Å; E882-L884 VanDerWaalsContact C-N 3.33Å; L884-E887 PolarHBondContact O-N 3.11Å; L884-K888 PolarHBondContact O-N 3.45Å | |
| 885 | S | 88.7 | Confident | 86.2 | Confident | 49 Ų | 49 | 104.1 Ų | 104.1 | 34% | 0.343 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | 0 | 176.7 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | Y881 E882 K888 I889 | Y881-S885 WeakPolarHBondContact O-CB 3.47Å; Y881-S885 PolarHBondContact O-N 3.26Å; E882-S885 PolarHBondContact O-N 2.73Å; S885-K888 VanDerWaalsContact O-CB 3.32Å; S885-K888 WeakPolarHBondContact O-CB 3.47Å; S885-K888 PolarHBondContact O-N 3.29Å; S885-I889 WeakPolarHBondContact O-CG1 2.88Å; S885-I889 PolarHBondContact O-N 3.28Å; S885-I889 VanDerWaalsContact O-N 3.07Å |
| 886 | N | 88.8 | Confident | 86 | Confident | 109 Ų | 109 | 106 Ų | 106 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -74.2 | -19.8 | 0 | 0 | 0 | 111 | E882 K883 I889 Q890 | E882-N886 PolarHBondContact O-N 2.87Å; K883-N886 PolarHBondContact O-N 3.5Å; N886-I889 PolarHBondContact O-N 3.02Å; N886-Q890 PolarHBondContact O-N 3.46Å | |
| 887 | E | 84.6 | Confident | 86.1 | Confident | 83 Ų | 83 | 106.6 Ų | 106.6 | 39% | 0.388 | 52% | 0.52 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -75.5 | -178.4 | -177.2 | 0 | 0 | 110.6 | K883 L884 I889 Q890 L891 | K883-E887 WeakPolarHBondContact O-CG 3.38Å; K883-E887 PolarHBondContact O-N 3.49Å; L884-E887 PolarHBondContact O-N 3.11Å; E887-I889 VanDerWaalsContact C-N 3.35Å; E887-Q890 PolarHBondContact O-N 3Å; E887-L891 WeakPolarHBondContact O-CB 3.42Å; E887-L891 WeakPolarHBondContact O-CG 2.79Å; E887-L891 PolarHBondContact O-N 3.36Å | |
| 888 | K | 87.1 | Confident | 86 | Confident | 141 Ų | 141 | 105.6 Ų | 105.6 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | 0 | -40.9 | 0 | -175.6 | -177.3 | 172.6 | 179.6 | 0 | 111.2 | L884 S885 L891 N892 | L884-K888 PolarHBondContact O-N 3.45Å; S885-K888 VanDerWaalsContact O-CB 3.32Å; S885-K888 WeakPolarHBondContact O-CB 3.47Å; S885-K888 PolarHBondContact O-N 3.29Å; K888-L891 PolarHBondContact O-N 3.01Å; K888-N892 PolarHBondContact O-N 3.16Å | |
| 889 | I | 91.1 | Very high | 85.8 | Confident | 107 Ų | 107 | 106.4 Ų | 106.4 | 55% | 0.549 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.3 | 0 | 179.6 | -69.5 | 171.8 | 0 | 0 | 0 | 109.6 | S885 N886 E887 L891 N892 A893 | S885-I889 WeakPolarHBondContact O-CG1 2.88Å; S885-I889 PolarHBondContact O-N 3.28Å; S885-I889 VanDerWaalsContact O-N 3.07Å; N886-I889 PolarHBondContact O-N 3.02Å; E887-I889 VanDerWaalsContact C-N 3.35Å; I889-L891 VanDerWaalsContact C-N 3.32Å; I889-N892 WeakPolarHBondContact O-CB 2.69Å; I889-N892 PolarHBondContact O-N 2.85Å; I889-A893 PolarHBondContact O-N 3.47Å |
| 890 | Q | 88.3 | Confident | 85.7 | Confident | 119 Ų | 119 | 101 Ų | 101 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -172.5 | 176.3 | 8.6 | 0 | 0 | 110.5 | N886 E887 A893 E894 | N886-Q890 PolarHBondContact O-N 3.46Å; E887-Q890 PolarHBondContact O-N 3Å; Q890-A893 WeakPolarHBondContact O-CB 3.01Å; Q890-A893 PolarHBondContact O-N 2.75Å; Q890-A893 VanDerWaalsContact O-N 3.16Å; Q890-E894 WeakPolarHBondContact O-CG 3.21Å; Q890-E894 PolarHBondContact O-N 3.03Å | |
| 891 | L | 83.3 | Confident | 85.7 | Confident | 107 Ų | 107 | 101 Ų | 101 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | 0 | -37.9 | 0 | -87.4 | 157.5 | 0 | 0 | 0 | 110.6 | E887 K888 I889 A893 E894 L895 | E887-L891 WeakPolarHBondContact O-CB 3.42Å; E887-L891 WeakPolarHBondContact O-CG 2.79Å; E887-L891 PolarHBondContact O-N 3.36Å; K888-L891 PolarHBondContact O-N 3.01Å; I889-L891 VanDerWaalsContact C-N 3.32Å; L891-A893 VanDerWaalsContact C-N 3.33Å; L891-A893 PolarHBondContact O-N 2.84Å; L891-E894 PolarHBondContact O-N 2.52Å; L891-L895 WeakPolarHBondContact O-CB 3.49Å; L891-L895 PolarHBondContact O-N 1.34Å | |
| 892 | N | 85.6 | Confident | 85.5 | Confident | 81 Ų | 81 | 95.9 Ų | 95.9 | 43% | 0.433 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | 0 | 175 | -85.6 | -25 | 0 | 0 | 0 | 111.6 | K888 I889 L895 Q896 | K888-N892 PolarHBondContact O-N 3.16Å; I889-N892 WeakPolarHBondContact O-CB 2.69Å; I889-N892 PolarHBondContact O-N 2.85Å; N892-L895 WeakPolarHBondContact O-CB 2.81Å; N892-L895 PolarHBondContact O-N 3.47Å; N892-Q896 PolarHBondContact O-N 2.97Å |
| 893 | A | 87.4 | Confident | 85.1 | Confident | 63 Ų | 63 | 96.4 Ų | 96.4 | 52% | 0.521 | 49% | 0.489 | S | S | . | . | H | α-helix | 0 | -41.5 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | I889 Q890 L891 L895 Q896 Q897 | I889-A893 PolarHBondContact O-N 3.47Å; Q890-A893 WeakPolarHBondContact O-CB 3.01Å; Q890-A893 PolarHBondContact O-N 2.75Å; Q890-A893 VanDerWaalsContact O-N 3.16Å; L891-A893 VanDerWaalsContact C-N 3.33Å; L891-A893 PolarHBondContact O-N 2.84Å; A893-L895 VanDerWaalsContact C-N 3.34Å; A893-Q896 PolarHBondContact O-N 3.13Å; A893-Q897 PolarHBondContact O-N 2.92Å | |
| 894 | E | 83.3 | Confident | 85.1 | Confident | 94 Ų | 94 | 95 Ų | 95 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | 0 | 176.8 | -73 | 178.7 | -174 | 0 | 0 | 110.4 | Q890 L891 Q896 Q897 E898 | Q890-E894 WeakPolarHBondContact O-CG 3.21Å; Q890-E894 PolarHBondContact O-N 3.03Å; L891-E894 PolarHBondContact O-N 2.52Å; E894-Q896 VanDerWaalsContact C-N 3.32Å; E894-Q897 PolarHBondContact O-N 3.25Å; E894-E898 PolarHBondContact O-N 2.34Å |
| 895 | L | 82.4 | Confident | 85 | Confident | 57 Ų | 57 | 94.8 Ų | 94.8 | 30% | 0.298 | 49% | 0.486 | S | S | . | . | H | α-helix | 0 | -38.7 | 0 | -173.9 | 68.5 | 0 | 0 | 0 | 111.3 | A637 F638 L891 N892 A893 E898 H899 | A637-L895 HydrophobicContact CB-CD1 3.31Å; F638-L895 HydrophobicContact CE2-CD2 3.82Å; L891-L895 WeakPolarHBondContact O-CB 3.49Å; L891-L895 PolarHBondContact O-N 1.34Å; N892-L895 WeakPolarHBondContact O-CB 2.81Å; N892-L895 PolarHBondContact O-N 3.47Å; A893-L895 VanDerWaalsContact C-N 3.34Å; L895-E898 PolarHBondContact O-N 3.02Å; L895-H899 WeakPolarHBondContact O-CB 3.48Å; L895-H899 PolarHBondContact O-N 3.3Å | |
| 896 | Q | 85.9 | Confident | 84.5 | Confident | 112 Ų | 112 | 96 Ų | 96 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.9 | 0 | 178 | -173.5 | 64.6 | 15.6 | 0 | 0 | 110.8 | N892 A893 E894 H899 D900 | N892-Q896 PolarHBondContact O-N 2.97Å; A893-Q896 PolarHBondContact O-N 3.13Å; E894-Q896 VanDerWaalsContact C-N 3.32Å; Q896-H899 WeakPolarHBondContact O-CB 3.07Å; Q896-H899 PolarHBondContact O-N 2.94Å; Q896-D900 PolarHBondContact O-N 3.34Å |
| 897 | Q | 85.4 | Confident | 84.4 | Confident | 140 Ų | 140 | 94 Ų | 94 | 65% | 0.654 | 48% | 0.478 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -174.3 | -178.9 | -0.3 | 0 | 0 | 110.4 | A893 E894 D900 S901 | A893-Q897 PolarHBondContact O-N 2.92Å; E894-Q897 PolarHBondContact O-N 3.25Å; Q897-D900 PolarHBondContact O-N 2.91Å; Q897-S901 PolarHBondContact O-N 3.29Å | |
| 898 | E | 80.2 | Confident | 84.2 | Confident | 115 Ų | 115 | 95.5 Ų | 95.5 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -89.1 | -162.1 | 172.6 | 0 | 0 | 110.8 | E894 L895 D900 S901 N902 | E894-E898 PolarHBondContact O-N 2.34Å; L895-E898 PolarHBondContact O-N 3.02Å; E898-D900 VanDerWaalsContact C-N 3.34Å; E898-S901 PolarHBondContact O-N 2.92Å; E898-N902 WeakPolarHBondContact O-CB 3.16Å; E898-N902 PolarHBondContact O-N 3.27Å; E898-N902 PolarHBondContact O-ND2 3.34Å | |
| 899 | H | 83.1 | Confident | 84 | Confident | 112 Ų | 112 | 94.9 Ų | 94.9 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -171.6 | -66.1 | 0 | 0 | 0 | 111.4 | L895 Q896 N902 Q903 | L895-H899 WeakPolarHBondContact O-CB 3.48Å; L895-H899 PolarHBondContact O-N 3.3Å; Q896-H899 WeakPolarHBondContact O-CB 3.07Å; Q896-H899 PolarHBondContact O-N 2.94Å; H899-N902 PolarHBondContact O-N 3.2Å; H899-Q903 PolarHBondContact O-N 2.76Å | |
| 900 | D | 86.1 | Confident | 83.7 | Confident | 73 Ų | 73 | 92.3 Ų | 92.3 | 39% | 0.39 | 47% | 0.467 | S | S | . | . | H | α-helix | 0 | -40.9 | 0 | -71.5 | -14.9 | 0 | 0 | 0 | 110.7 | Q896 Q897 E898 Q903 N904 | Q896-D900 PolarHBondContact O-N 3.34Å; Q897-D900 PolarHBondContact O-N 2.91Å; E898-D900 VanDerWaalsContact C-N 3.34Å; D900-Q903 PolarHBondContact O-N 3.31Å; D900-N904 PolarHBondContact O-N 2.89Å | |
| 901 | S | 83.5 | Confident | 83.6 | Confident | 62 Ų | 62 | 95.7 Ų | 95.7 | 43% | 0.434 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | 0 | 177.1 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | Q897 E898 Q903 N904 L905 | Q897-S901 PolarHBondContact O-N 3.29Å; E898-S901 PolarHBondContact O-N 2.92Å; S901-Q903 VanDerWaalsContact C-N 3.34Å; S901-N904 PolarHBondContact O-N 3.36Å; S901-L905 WeakPolarHBondContact O-CG 3.44Å; S901-L905 PolarHBondContact O-N 3.16Å |
| 902 | N | 80.2 | Confident | 83.6 | Confident | 56 Ų | 56 | 96.2 Ų | 96.2 | 30% | 0.299 | 48% | 0.477 | S | S | . | . | H | α-helix | 0 | -38.7 | 0 | -82.3 | -25.6 | 0 | 0 | 0 | 111.5 | E898 H899 N904 L905 Q906 | E898-N902 WeakPolarHBondContact O-CB 3.16Å; E898-N902 PolarHBondContact O-N 3.27Å; E898-N902 PolarHBondContact O-ND2 3.34Å; H899-N902 PolarHBondContact O-N 3.2Å; N902-N904 VanDerWaalsContact C-N 3.35Å; N902-L905 PolarHBondContact O-N 3.31Å; N902-Q906 WeakPolarHBondContact O-CB 3.09Å; N902-Q906 PolarHBondContact O-N 2.88Å | |
| 903 | Q | 83.7 | Confident | 83.5 | Confident | 111 Ų | 111 | 97.3 Ų | 97.3 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.6 | 0 | 176.2 | -167.2 | 175.7 | 2.8 | 0 | 0 | 111.2 | H899 D900 S901 Q906 T907 | H899-Q903 PolarHBondContact O-N 2.76Å; D900-Q903 PolarHBondContact O-N 3.31Å; S901-Q903 VanDerWaalsContact C-N 3.34Å; Q903-Q906 WeakPolarHBondContact O-CB 3.14Å; Q903-Q906 PolarHBondContact O-N 3.27Å; Q903-T907 VanDerWaalsContact O-CG2 3.31Å; Q903-T907 WeakPolarHBondContact O-CG2 3.44Å; Q903-T907 PolarHBondContact O-N 3.3Å; Q903-T907 PolarHBondContact O-OG1 1.79Å |
| 904 | N | 85.3 | Confident | 83.4 | Confident | 103 Ų | 103 | 100.4 Ų | 100.4 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -72.4 | -16.3 | 0 | 0 | 0 | 110.9 | D900 S901 N902 T907 E908 | D900-N904 PolarHBondContact O-N 2.89Å; S901-N904 PolarHBondContact O-N 3.36Å; N902-N904 VanDerWaalsContact C-N 3.35Å; N904-T907 WeakPolarHBondContact CA-OG1 2.97Å; N904-T907 PolarHBondContact O-N 3.5Å; N904-T907 PolarHBondContact O-OG1 3.49Å; N904-E908 PolarHBondContact O-N 2.13Å | |
| 905 | L | 80.5 | Confident | 83.6 | Confident | 96 Ų | 96 | 102.6 Ų | 102.6 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -77.2 | 170.8 | 0 | 0 | 0 | 110.5 | S901 N902 T907 E908 R909 | S901-L905 WeakPolarHBondContact O-CG 3.44Å; S901-L905 PolarHBondContact O-N 3.16Å; N902-L905 PolarHBondContact O-N 3.31Å; L905-T907 VanDerWaalsContact C-N 3.32Å; L905-E908 WeakPolarHBondContact O-CB 3.22Å; L905-E908 PolarHBondContact O-N 1.85Å; L905-R909 PolarHBondContact O-N 3.4Å | |
| 906 | Q | 80.2 | Confident | 83.7 | Confident | 74 Ų | 74 | 104.5 Ų | 104.5 | 35% | 0.346 | 50% | 0.497 | S | S | . | . | H | α-helix | 0 | -40.1 | 0 | -172.5 | 67.2 | 7.3 | 0 | 0 | 111.7 | N902 Q903 R909 D910 | N902-Q906 WeakPolarHBondContact O-CB 3.09Å; N902-Q906 PolarHBondContact O-N 2.88Å; Q903-Q906 WeakPolarHBondContact O-CB 3.14Å; Q903-Q906 PolarHBondContact O-N 3.27Å; Q906-R909 PolarHBondContact O-N 3.26Å; Q906-D910 PolarHBondContact O-N 3.07Å | |
| 907 | T | 85.1 | Confident | 83.8 | Confident | 67 Ų | 67 | 104.8 Ų | 104.8 | 41% | 0.411 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 178.4 | 50.1 | 0 | 0 | 0 | 0 | 110.5 | Q903 N904 L905 D910 R911 | Q903-T907 VanDerWaalsContact O-CG2 3.31Å; Q903-T907 WeakPolarHBondContact O-CG2 3.44Å; Q903-T907 PolarHBondContact O-N 3.3Å; Q903-T907 PolarHBondContact O-OG1 1.79Å; N904-T907 WeakPolarHBondContact CA-OG1 2.97Å; N904-T907 PolarHBondContact O-N 3.5Å; N904-T907 PolarHBondContact O-OG1 3.49Å; L905-T907 VanDerWaalsContact C-N 3.32Å; T907-D910 PolarHBondContact O-N 3.27Å; T907-R911 PolarHBondContact O-N 1.9Å |
| 908 | E | 81.7 | Confident | 83.9 | Confident | 116 Ų | 116 | 101.3 Ų | 101.3 | 54% | 0.542 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | 0 | 177.1 | -83.6 | -168.5 | 171.4 | 0 | 0 | 110.5 | N904 L905 R911 L912 | N904-E908 PolarHBondContact O-N 2.13Å; L905-E908 WeakPolarHBondContact O-CB 3.22Å; L905-E908 PolarHBondContact O-N 1.85Å; E908-R911 WeakPolarHBondContact O-CB 3.09Å; E908-R911 PolarHBondContact O-N 3.12Å; E908-L912 WeakPolarHBondContact O-CG 3.33Å; E908-L912 PolarHBondContact O-N 1.61Å |
| 909 | R | 82.9 | Confident | 84.1 | Confident | 127 Ų | 127 | 100.7 Ų | 100.7 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -158.4 | 178.3 | 108.2 | 134.3 | 1.4 | 110.8 | L905 Q906 L912 R913 | L905-R909 PolarHBondContact O-N 3.4Å; Q906-R909 PolarHBondContact O-N 3.26Å; R909-L912 PolarHBondContact O-N 3.47Å; R909-R913 VanDerWaalsContact NE-CZ 3.33Å; R909-R913 CovalentContact NH2-NH2 1.8Å; R909-R913 WeakPolarHBondContact O-CB 3.46Å; R909-R913 PolarHBondContact O-N 1.79Å | |
| 910 | D | 84 | Confident | 84.2 | Confident | 53 Ų | 53 | 100.7 Ų | 100.7 | 28% | 0.283 | 49% | 0.487 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -72.2 | -18.7 | 0 | 0 | 0 | 111 | Q906 T907 R913 E914 | Q906-D910 PolarHBondContact O-N 3.07Å; T907-D910 PolarHBondContact O-N 3.27Å; D910-R913 PolarHBondContact O-N 2.06Å; D910-R913 IonicContact OD1-NH1 3.27Å; D910-E914 PolarHBondContact O-N 3.12Å; D910-E914 VanDerWaalsContact O-N 3.08Å | |
| 911 | R | 86.8 | Confident | 84.2 | Confident | 190 Ų | 190 | 102.2 Ų | 102.2 | 72% | 0.717 | 49% | 0.492 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -84.8 | -176.2 | -173.3 | 176.6 | -0.9 | 110.6 | T907 E908 E914 K915 | T907-R911 PolarHBondContact O-N 1.9Å; E908-R911 WeakPolarHBondContact O-CB 3.09Å; E908-R911 PolarHBondContact O-N 3.12Å; R911-E914 WeakPolarHBondContact O-CB 2.73Å; R911-E914 PolarHBondContact O-N 1.47Å; R911-K915 PolarHBondContact O-N 3.38Å | |
| 912 | L | 82.7 | Confident | 84.3 | Confident | 118 Ų | 118 | 103.2 Ų | 103.2 | 62% | 0.618 | 49% | 0.492 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -75.5 | 172.8 | 0 | 0 | 0 | 110.3 | E908 R909 E914 K915 L916 | E908-L912 WeakPolarHBondContact O-CG 3.33Å; E908-L912 PolarHBondContact O-N 1.61Å; R909-L912 PolarHBondContact O-N 3.47Å; L912-E914 VanDerWaalsContact C-N 3.32Å; L912-K915 WeakPolarHBondContact O-CB 1.7Å; L912-K915 PolarHBondContact O-N 3.02Å; L912-L916 PolarHBondContact O-N 1.72Å | |
| 913 | R | 82.8 | Confident | 84.4 | Confident | 104 Ų | 104 | 107.8 Ų | 107.8 | 39% | 0.392 | 51% | 0.506 | S | S | . | . | H | α-helix | 0 | -37.8 | 0 | -99.6 | -172.2 | -133 | 155.5 | 0.9 | 111.5 | R909 D910 L916 Q917 | R909-R913 VanDerWaalsContact NE-CZ 3.33Å; R909-R913 CovalentContact NH2-NH2 1.8Å; R909-R913 WeakPolarHBondContact O-CB 3.46Å; R909-R913 PolarHBondContact O-N 1.79Å; D910-R913 PolarHBondContact O-N 2.06Å; D910-R913 IonicContact OD1-NH1 3.27Å; R913-L916 PolarHBondContact O-N 1.39Å; R913-Q917 PolarHBondContact O-N 2.4Å | |
| 914 | E | 86.2 | Confident | 84.5 | Confident | 129 Ų | 129 | 107.9 Ų | 107.9 | 60% | 0.603 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.8 | 0 | 177.3 | -80.3 | 179.7 | -177.5 | 0 | 0 | 111 | D910 R911 L912 Q917 T918 | D910-E914 PolarHBondContact O-N 3.12Å; D910-E914 VanDerWaalsContact O-N 3.08Å; R911-E914 WeakPolarHBondContact O-CB 2.73Å; R911-E914 PolarHBondContact O-N 1.47Å; L912-E914 VanDerWaalsContact C-N 3.32Å; E914-Q917 PolarHBondContact O-N 1.76Å; E914-T918 WeakPolarHBondContact O-CG2 2.09Å; E914-T918 PolarHBondContact O-N 1.62Å; E914-T918 VanDerWaalsContact O-N 3.1Å |
| 915 | K | 86.7 | Confident | 84.5 | Confident | 139 Ų | 139 | 109 Ų | 109 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -165 | 169.8 | 178.6 | 179.4 | 0 | 110.4 | R911 L912 Q917 T918 L919 | R911-K915 PolarHBondContact O-N 3.38Å; L912-K915 WeakPolarHBondContact O-CB 1.7Å; L912-K915 PolarHBondContact O-N 3.02Å; K915-Q917 VanDerWaalsContact C-N 3.34Å; K915-T918 VanDerWaalsContact CA-OG1 3.27Å; K915-T918 WeakPolarHBondContact CA-OG1 2.59Å; K915-T918 PolarHBondContact O-N 1.32Å; K915-T918 PolarHBondContact O-OG1 2.76Å; K915-L919 PolarHBondContact O-N 3.5Å | |
| 916 | L | 85.8 | Confident | 84.6 | Confident | 98 Ų | 98 | 110.2 Ų | 110.2 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | 0 | -42.7 | 0 | -179 | 71.8 | 0 | 0 | 0 | 110.6 | L912 R913 T918 L919 E920 | L912-L916 PolarHBondContact O-N 1.72Å; R913-L916 PolarHBondContact O-N 1.39Å; L916-T918 VanDerWaalsContact C-N 3.34Å; L916-T918 PolarHBondContact O-N 2.87Å; L916-L919 PolarHBondContact O-N 2.8Å; L916-E920 WeakPolarHBondContact O-CG 2.81Å; L916-E920 PolarHBondContact O-N 1.68Å | |
| 917 | Q | 86.5 | Confident | 84.7 | Confident | 117 Ų | 117 | 111.9 Ų | 111.9 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.3 | 0 | 178.2 | -167.5 | 175.9 | 4.6 | 0 | 0 | 111.5 | R913 E914 K915 E920 E921 | R913-Q917 PolarHBondContact O-N 2.4Å; E914-Q917 PolarHBondContact O-N 1.76Å; K915-Q917 VanDerWaalsContact C-N 3.34Å; Q917-E920 PolarHBondContact O-N 3.34Å; Q917-E921 WeakPolarHBondContact O-CG 2.15Å; Q917-E921 PolarHBondContact O-N 2.75Å |
| 918 | T | 88.6 | Confident | 84.7 | Confident | 68 Ų | 68 | 113.3 Ų | 113.3 | 42% | 0.417 | 53% | 0.529 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 54 | 0 | 0 | 0 | 0 | 110.4 | E914 K915 L916 E921 D922 | E914-T918 WeakPolarHBondContact O-CG2 2.09Å; E914-T918 PolarHBondContact O-N 1.62Å; E914-T918 VanDerWaalsContact O-N 3.1Å; K915-T918 VanDerWaalsContact CA-OG1 3.27Å; K915-T918 WeakPolarHBondContact CA-OG1 2.59Å; K915-T918 PolarHBondContact O-N 1.32Å; K915-T918 PolarHBondContact O-OG1 2.76Å; L916-T918 VanDerWaalsContact C-N 3.34Å; L916-T918 PolarHBondContact O-N 2.87Å; T918-E921 WeakPolarHBondContact O-CB 3.16Å; T918-E921 PolarHBondContact O-N 2.88Å; T918-D922 PolarHBondContact O-N 2.76Å | |
| 919 | L | 84.6 | Confident | 84.9 | Confident | 102 Ų | 102 | 116.7 Ų | 116.7 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -82.9 | 167.6 | 0 | 0 | 0 | 110.1 | K915 L916 E921 D922 Y923 | K915-L919 PolarHBondContact O-N 3.5Å; L916-L919 PolarHBondContact O-N 2.8Å; L919-E921 VanDerWaalsContact C-N 3.3Å; L919-D922 PolarHBondContact O-N 3.26Å; L919-Y923 PolarHBondContact O-N 3.37Å | |
| 920 | E | 84.2 | Confident | 84.5 | Confident | 111 Ų | 111 | 114.2 Ų | 114.2 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | 0 | -37.9 | 0 | -78.2 | 174.5 | 167.6 | 0 | 0 | 111.3 | L916 Q917 Y923 M924 | L916-E920 WeakPolarHBondContact O-CG 2.81Å; L916-E920 PolarHBondContact O-N 1.68Å; Q917-E920 PolarHBondContact O-N 3.34Å; E920-Y923 PolarHBondContact O-N 3.06Å; E920-M924 WeakPolarHBondContact O-CG 3.1Å; E920-M924 PolarHBondContact O-N 2.08Å | |
| 921 | E | 87.2 | Confident | 84.5 | Confident | 106 Ų | 106 | 114.9 Ų | 114.9 | 50% | 0.495 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.1 | 0 | 177.1 | -74.2 | 175 | -176.5 | 0 | 0 | 111.3 | Q917 T918 L919 M924 E925 | Q917-E921 WeakPolarHBondContact O-CG 2.15Å; Q917-E921 PolarHBondContact O-N 2.75Å; T918-E921 WeakPolarHBondContact O-CB 3.16Å; T918-E921 PolarHBondContact O-N 2.88Å; L919-E921 VanDerWaalsContact C-N 3.3Å; E921-M924 PolarHBondContact O-N 2.81Å; E921-E925 PolarHBondContact O-N 3.34Å; E921-E925 VanDerWaalsContact O-N 3.16Å |
| 922 | D | 84 | Confident | 84.2 | Confident | 83 Ų | 83 | 111.8 Ų | 111.8 | 44% | 0.444 | 54% | 0.536 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -72 | -12.6 | 0 | 0 | 0 | 110.4 | T918 L919 E925 L926 | T918-D922 PolarHBondContact O-N 2.76Å; L919-D922 PolarHBondContact O-N 3.26Å; D922-E925 WeakPolarHBondContact O-CB 2.87Å; D922-E925 PolarHBondContact O-N 1.86Å; D922-E925 VanDerWaalsContact O-N 3.15Å; D922-L926 PolarHBondContact O-N 3.34Å | |
| 923 | Y | 82.3 | Confident | 83.9 | Confident | 151 Ų | 151 | 112.3 Ų | 112.3 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -179.2 | -101.8 | 0 | 0 | 0 | 110.5 | L919 E920 E925 L926 E927 | L919-Y923 PolarHBondContact O-N 3.37Å; E920-Y923 PolarHBondContact O-N 3.06Å; Y923-E925 PolarHBondContact O-N 3.46Å; Y923-L926 PolarHBondContact O-N 3.4Å; Y923-E927 PolarHBondContact O-N 3.39Å | |
| 924 | M | 85.8 | Confident | 83.7 | Confident | 114 Ų | 114 | 114 Ų | 114 | 56% | 0.562 | 55% | 0.545 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -81.7 | -172.8 | 33.6 | 0 | 0 | 111.1 | E920 E921 E927 N928 | E920-M924 WeakPolarHBondContact O-CG 3.1Å; E920-M924 PolarHBondContact O-N 2.08Å; E921-M924 PolarHBondContact O-N 2.81Å; M924-E927 PolarHBondContact O-N 2.71Å; M924-N928 VanDerWaalsContact O-CG 3.27Å; M924-N928 PolarHBondContact O-N 3.34Å; M924-N928 PolarHBondContact O-ND2 3.37Å | |
| 925 | E | 85.8 | Confident | 83.4 | Confident | 126 Ų | 126 | 111 Ų | 111 | 59% | 0.589 | 54% | 0.539 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -77.9 | -179.5 | -175.5 | 0 | 0 | 110.9 | E921 D922 Y923 N928 R929 | E921-E925 PolarHBondContact O-N 3.34Å; E921-E925 VanDerWaalsContact O-N 3.16Å; D922-E925 WeakPolarHBondContact O-CB 2.87Å; D922-E925 PolarHBondContact O-N 1.86Å; D922-E925 VanDerWaalsContact O-N 3.15Å; Y923-E925 PolarHBondContact O-N 3.46Å; E925-N928 WeakPolarHBondContact O-CB 1.87Å; E925-N928 PolarHBondContact O-N 2.76Å; E925-R929 PolarHBondContact O-N 2.76Å; E925-R929 VanDerWaalsContact O-N 3.09Å | |
| 926 | L | 82 | Confident | 83.2 | Confident | 122 Ų | 122 | 111.1 Ų | 111.1 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -98.3 | 142 | 0 | 0 | 0 | 110.3 | D922 Y923 N928 R929 D930 | D922-L926 PolarHBondContact O-N 3.34Å; Y923-L926 PolarHBondContact O-N 3.4Å; L926-N928 VanDerWaalsContact C-N 3.27Å; L926-N928 PolarHBondContact O-N 2.75Å; L926-R929 PolarHBondContact O-N 2.81Å; L926-R929 VanDerWaalsContact O-N 3.16Å; L926-D930 PolarHBondContact O-N 3.45Å | |
| 927 | E | 83.1 | Confident | 82.7 | Confident | 108 Ų | 108 | 109.5 Ų | 109.5 | 51% | 0.505 | 53% | 0.531 | S | S | . | . | H | α-helix | 0 | -38.3 | 0 | -158.4 | 175.7 | -168.7 | 0 | 0 | 111.6 | Y923 M924 D930 S931 | Y923-E927 PolarHBondContact O-N 3.39Å; M924-E927 PolarHBondContact O-N 2.71Å; E927-D930 PolarHBondContact O-N 2.79Å; E927-S931 PolarHBondContact O-N 3.26Å | |
| 928 | N | 85.7 | Confident | 82.4 | Confident | 97 Ų | 97 | 109.9 Ų | 109.9 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.1 | 0 | 177.5 | -75.1 | -18.1 | 0 | 0 | 0 | 111.4 | M924 E925 L926 S931 E932 | M924-N928 VanDerWaalsContact O-CG 3.27Å; M924-N928 PolarHBondContact O-N 3.34Å; M924-N928 PolarHBondContact O-ND2 3.37Å; E925-N928 WeakPolarHBondContact O-CB 1.87Å; E925-N928 PolarHBondContact O-N 2.76Å; L926-N928 VanDerWaalsContact C-N 3.27Å; L926-N928 PolarHBondContact O-N 2.75Å; N928-S931 PolarHBondContact O-N 2.71Å; N928-S931 PolarHBondContact O-OG 3.4Å; N928-E932 PolarHBondContact O-N 2.77Å |
| 929 | R | 84.4 | Confident | 82.1 | Confident | 187 Ų | 187 | 111.3 Ų | 111.3 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -105.3 | 178.9 | 160.9 | 139.5 | -0.6 | 110.7 | E925 L926 E932 E933 | E925-R929 PolarHBondContact O-N 2.76Å; E925-R929 VanDerWaalsContact O-N 3.09Å; L926-R929 PolarHBondContact O-N 2.81Å; L926-R929 VanDerWaalsContact O-N 3.16Å; R929-E932 WeakPolarHBondContact O-CB 3.11Å; R929-E932 PolarHBondContact O-N 3.44Å; R929-E932 VanDerWaalsContact O-N 3.14Å; R929-E933 PolarHBondContact O-N 2.73Å | |
| 930 | D | 76.3 | Confident | 81.8 | Confident | 75 Ų | 75 | 111.7 Ų | 111.7 | 40% | 0.401 | 54% | 0.54 | S | S | . | . | H | α-helix | 0 | -41.2 | 0 | -172 | 53.7 | 0 | 0 | 0 | 110.5 | L926 E927 E932 E933 K934 | L926-D930 PolarHBondContact O-N 3.45Å; E927-D930 PolarHBondContact O-N 2.79Å; D930-E932 VanDerWaalsContact C-N 3.26Å; D930-E932 PolarHBondContact O-N 3.47Å; D930-E933 PolarHBondContact O-N 3.07Å; D930-K934 WeakPolarHBondContact O-CG 3.46Å; D930-K934 PolarHBondContact O-N 3.32Å; D930-K934 IonicContact OD2-NZ 3.64Å | |
| 931 | S | 82.1 | Confident | 81.4 | Confident | 68 Ų | 68 | 111.6 Ų | 111.6 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.6 | 0 | 176.6 | 95.1 | 0 | 0 | 0 | 0 | 111.8 | E927 N928 K934 S935 | E927-S931 PolarHBondContact O-N 3.26Å; N928-S931 PolarHBondContact O-N 2.71Å; N928-S931 PolarHBondContact O-OG 3.4Å; S931-K934 PolarHBondContact O-N 3.24Å; S931-S935 PolarHBondContact O-N 2.81Å |
| 932 | E | 82.5 | Confident | 81.1 | Confident | 124 Ų | 124 | 109.1 Ų | 109.1 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -85.1 | -179.9 | -178.3 | 0 | 0 | 111.1 | N928 R929 D930 S935 K936 | N928-E932 PolarHBondContact O-N 2.77Å; R929-E932 WeakPolarHBondContact O-CB 3.11Å; R929-E932 PolarHBondContact O-N 3.44Å; R929-E932 VanDerWaalsContact O-N 3.14Å; D930-E932 VanDerWaalsContact C-N 3.26Å; D930-E932 PolarHBondContact O-N 3.47Å; E932-S935 WeakPolarHBondContact O-CB 2.19Å; E932-S935 PolarHBondContact O-N 2.83Å; E932-K936 PolarHBondContact O-N 3.4Å | |
| 933 | E | 76.1 | Confident | 80.9 | Confident | 129 Ų | 129 | 110.8 Ų | 110.8 | 60% | 0.603 | 54% | 0.542 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -100.2 | -137.4 | 167.3 | 0 | 0 | 110.6 | R929 D930 S935 K936 L937 | R929-E933 PolarHBondContact O-N 2.73Å; D930-E933 PolarHBondContact O-N 3.07Å; E933-S935 VanDerWaalsContact C-N 3.33Å; E933-K936 WeakPolarHBondContact O-CB 3.29Å; E933-K936 PolarHBondContact O-N 2.7Å; E933-K936 VanDerWaalsContact O-N 3.13Å; E933-L937 PolarHBondContact O-N 2.74Å | |
| 934 | K | 77.3 | Confident | 80.7 | Confident | 139 Ų | 139 | 108.3 Ų | 108.3 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -78.2 | -175.8 | 178.8 | 175.6 | 0 | 110.9 | D930 S931 K936 L937 H938 | D930-K934 WeakPolarHBondContact O-CG 3.46Å; D930-K934 PolarHBondContact O-N 3.32Å; D930-K934 IonicContact OD2-NZ 3.64Å; S931-K934 PolarHBondContact O-N 3.24Å; K934-K936 VanDerWaalsContact C-N 3.34Å; K934-L937 PolarHBondContact O-N 3.23Å; K934-H938 WeakPolarHBondContact O-CB 3.04Å; K934-H938 PolarHBondContact O-N 2.99Å | |
| 935 | S | 80.6 | Confident | 80.3 | Confident | 67 Ų | 67 | 110.3 Ų | 110.3 | 47% | 0.469 | 54% | 0.541 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | S931 E932 E933 H938 N939 | S931-S935 PolarHBondContact O-N 2.81Å; E932-S935 WeakPolarHBondContact O-CB 2.19Å; E932-S935 PolarHBondContact O-N 2.83Å; E933-S935 VanDerWaalsContact C-N 3.33Å; S935-H938 PolarHBondContact O-N 3.24Å; S935-N939 VanDerWaalsContact O-CG 3.3Å; S935-N939 PolarHBondContact O-N 2.84Å | |
| 936 | K | 81.8 | Confident | 80.1 | Confident | 142 Ų | 142 | 112 Ų | 112 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | H | α-helix | 0 | -35.1 | 0 | -81 | -175.8 | -174.5 | 176.6 | 0 | 110.7 | E932 E933 K934 N939 L940 | E932-K936 PolarHBondContact O-N 3.4Å; E933-K936 WeakPolarHBondContact O-CB 3.29Å; E933-K936 PolarHBondContact O-N 2.7Å; E933-K936 VanDerWaalsContact O-N 3.13Å; K934-K936 VanDerWaalsContact C-N 3.34Å; K936-N939 WeakPolarHBondContact O-CB 3.45Å; K936-N939 PolarHBondContact O-N 3.31Å; K936-L940 PolarHBondContact O-N 2.77Å | |
| 937 | L | 75.8 | Confident | 79.9 | Confident | 64 Ų | 64 | 110.8 Ų | 110.8 | 34% | 0.335 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.2 | -38.1 | 178.7 | -126.1 | 138.2 | 0 | 0 | 0 | 110.1 | E933 K934 N939 L940 E941 | E933-L937 PolarHBondContact O-N 2.74Å; K934-L937 PolarHBondContact O-N 3.23Å; L937-N939 PolarHBondContact O-N 2.71Å; L937-L940 PolarHBondContact O-N 3.2Å; L937-L940 VanDerWaalsContact O-N 3.13Å; L937-E941 WeakPolarHBondContact O-CB 3.31Å; L937-E941 PolarHBondContact O-N 2.59Å |
| 938 | H | 80.5 | Confident | 79.6 | Confident | 125 Ų | 125 | 110.2 Ų | 110.2 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.6 | 0 | 175.1 | -170.5 | 66.3 | 0 | 0 | 0 | 111.3 | K934 S935 L940 E941 A942 | K934-H938 WeakPolarHBondContact O-CB 3.04Å; K934-H938 PolarHBondContact O-N 2.99Å; S935-H938 PolarHBondContact O-N 3.24Å; H938-L940 VanDerWaalsContact C-N 3.3Å; H938-E941 PolarHBondContact O-N 3.35Å; H938-A942 WeakPolarHBondContact O-CB 3.15Å; H938-A942 PolarHBondContact O-N 3.22Å |
| 939 | N | 82.4 | Confident | 79.3 | Confident | 98 Ų | 98 | 111.8 Ų | 111.8 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -76.3 | -16.6 | 0 | 0 | 0 | 111.3 | S935 K936 L937 A942 E943 | S935-N939 VanDerWaalsContact O-CG 3.3Å; S935-N939 PolarHBondContact O-N 2.84Å; K936-N939 WeakPolarHBondContact O-CB 3.45Å; K936-N939 PolarHBondContact O-N 3.31Å; L937-N939 PolarHBondContact O-N 2.71Å; N939-A942 PolarHBondContact O-N 2.18Å; N939-E943 WeakPolarHBondContact O-CB 3.06Å; N939-E943 PolarHBondContact O-N 2.72Å | |
| 940 | L | 78 | Confident | 79.1 | Confident | 110 Ų | 110 | 107.1 Ų | 107.1 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -86.4 | 160.5 | 0 | 0 | 0 | 110.2 | K936 L937 H938 E943 Q944 | K936-L940 PolarHBondContact O-N 2.77Å; L937-L940 PolarHBondContact O-N 3.2Å; L937-L940 VanDerWaalsContact O-N 3.13Å; H938-L940 VanDerWaalsContact C-N 3.3Å; L940-E943 PolarHBondContact O-N 2.66Å; L940-Q944 WeakPolarHBondContact O-CB 3.38Å; L940-Q944 PolarHBondContact O-N 2.74Å | |
| 941 | E | 76.2 | Confident | 79.1 | Confident | 109 Ų | 109 | 107.6 Ų | 107.6 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | 0 | -39.6 | 0 | -96.7 | 177.6 | 178.8 | 0 | 0 | 110.8 | L937 H938 E943 Q944 K945 | L937-E941 WeakPolarHBondContact O-CB 3.31Å; L937-E941 PolarHBondContact O-N 2.59Å; H938-E941 PolarHBondContact O-N 3.35Å; E941-E943 PolarHBondContact O-N 2.62Å; E941-Q944 WeakPolarHBondContact O-CB 2.73Å; E941-Q944 PolarHBondContact O-N 3.48Å; E941-K945 WeakPolarHBondContact O-CB 2.99Å; E941-K945 PolarHBondContact O-N 3.2Å | |
| 942 | A | 79.7 | Confident | 79 | Confident | 53 Ų | 53 | 107.1 Ų | 107.1 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | 0 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | H938 N939 Q944 K945 R946 | H938-A942 WeakPolarHBondContact O-CB 3.15Å; H938-A942 PolarHBondContact O-N 3.22Å; N939-A942 PolarHBondContact O-N 2.18Å; A942-Q944 VanDerWaalsContact C-N 3.33Å; A942-K945 PolarHBondContact O-N 2.73Å; A942-R946 WeakPolarHBondContact O-CB 3.37Å; A942-R946 PolarHBondContact O-N 3.38Å |
| 943 | E | 80.8 | Confident | 78.8 | Confident | 119 Ų | 119 | 105.6 Ų | 105.6 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | 0 | -32.3 | 0 | -132.5 | 177.9 | 176.3 | 0 | 0 | 110.7 | N939 L940 E941 R946 L947 | N939-E943 WeakPolarHBondContact O-CB 3.06Å; N939-E943 PolarHBondContact O-N 2.72Å; L940-E943 PolarHBondContact O-N 2.66Å; E941-E943 PolarHBondContact O-N 2.62Å; E943-R946 WeakPolarHBondContact O-CB 3.05Å; E943-R946 PolarHBondContact O-N 3.18Å; E943-L947 WeakPolarHBondContact O-CB 3.44Å; E943-L947 VanDerWaalsContact O-CG 3.29Å; E943-L947 WeakPolarHBondContact O-CG 2.63Å; E943-L947 PolarHBondContact O-N 3.25Å | |
| 944 | Q | 77 | Confident | 78.7 | Confident | 98 Ų | 98 | 104.5 Ų | 104.5 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 177 | -166.7 | -177.4 | 8.2 | 0 | 0 | 110.1 | L940 E941 A942 R946 L947 L948 | L940-Q944 WeakPolarHBondContact O-CB 3.38Å; L940-Q944 PolarHBondContact O-N 2.74Å; E941-Q944 WeakPolarHBondContact O-CB 2.73Å; E941-Q944 PolarHBondContact O-N 3.48Å; A942-Q944 VanDerWaalsContact C-N 3.33Å; Q944-R946 PolarHBondContact O-N 3.33Å; Q944-L947 CarbonylContact O-C 3.36Å; Q944-L947 PolarHBondContact O-N 3.46Å; Q944-L947 VanDerWaalsContact O-N 3.12Å; Q944-L948 HydrophobicContact CG-CD1 4.41Å; Q944-L948 WeakPolarHBondContact O-CB 3.4Å; Q944-L948 PolarHBondContact O-N 3.42Å |
| 945 | K | 77.9 | Confident | 78.7 | Confident | 157 Ų | 157 | 100.9 Ų | 100.9 | 68% | 0.683 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.5 | -38.6 | 176.8 | -128.6 | -179.8 | 179.9 | -179.4 | 0 | 111.5 | E941 A942 L947 L948 E949 | E941-K945 WeakPolarHBondContact O-CB 2.99Å; E941-K945 PolarHBondContact O-N 3.2Å; A942-K945 PolarHBondContact O-N 2.73Å; K945-L947 PolarHBondContact O-N 3.15Å; K945-L948 PolarHBondContact O-N 3.2Å; K945-E949 WeakPolarHBondContact O-CB 2.47Å; K945-E949 PolarHBondContact O-N 2.66Å |
| 946 | R | 82.8 | Confident | 78.5 | Confident | 162 Ų | 162 | 101.7 Ų | 101.7 | 61% | 0.611 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.7 | 0 | 178.8 | -151.5 | -178.1 | 107.7 | 168.5 | -0.1 | 110.8 | A942 E943 Q944 E949 Q950 | A942-R946 WeakPolarHBondContact O-CB 3.37Å; A942-R946 PolarHBondContact O-N 3.38Å; E943-R946 WeakPolarHBondContact O-CB 3.05Å; E943-R946 PolarHBondContact O-N 3.18Å; Q944-R946 PolarHBondContact O-N 3.33Å; R946-E949 PolarHBondContact O-N 2.59Å; R946-Q950 WeakPolarHBondContact O-CB 2.4Å; R946-Q950 PolarHBondContact O-N 3.13Å |
| 947 | L | 77 | Confident | 78.2 | Confident | 96 Ų | 96 | 100.9 Ų | 100.9 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -80.9 | 166.1 | 0 | 0 | 0 | 110.1 | E943 Q944 K945 Q950 I951 | E943-L947 WeakPolarHBondContact O-CB 3.44Å; E943-L947 VanDerWaalsContact O-CG 3.29Å; E943-L947 WeakPolarHBondContact O-CG 2.63Å; E943-L947 PolarHBondContact O-N 3.25Å; Q944-L947 CarbonylContact O-C 3.36Å; Q944-L947 PolarHBondContact O-N 3.46Å; Q944-L947 VanDerWaalsContact O-N 3.12Å; K945-L947 PolarHBondContact O-N 3.15Å; L947-Q950 CarbonylContact O-C 3.33Å; L947-Q950 WeakPolarHBondContact O-CB 3.17Å; L947-Q950 PolarHBondContact O-N 3.49Å; L947-Q950 VanDerWaalsContact O-N 3.14Å; L947-I951 WeakPolarHBondContact O-CB 2.61Å; L947-I951 WeakPolarHBondContact O-CG1 2.11Å; L947-I951 PolarHBondContact O-N 2.47Å | |
| 948 | L | 77.6 | Confident | 78.1 | Confident | 96 Ų | 96 | 102.6 Ų | 102.6 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -84.6 | 165.6 | 0 | 0 | 0 | 110.2 | Q944 K945 I951 S952 | Q944-L948 HydrophobicContact CG-CD1 4.41Å; Q944-L948 WeakPolarHBondContact O-CB 3.4Å; Q944-L948 PolarHBondContact O-N 3.42Å; K945-L948 PolarHBondContact O-N 3.2Å; L948-I951 PolarHBondContact O-N 3.34Å; L948-S952 WeakPolarHBondContact O-CB 3.16Å; L948-S952 PolarHBondContact O-N 2.63Å | |
| 949 | E | 78.8 | Confident | 77.9 | Confident | 130 Ų | 130 | 102.1 Ų | 102.1 | 61% | 0.607 | 52% | 0.515 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -120.2 | 172.8 | -176.6 | 0 | 0 | 111.7 | K945 R946 I951 S952 D953 | K945-E949 WeakPolarHBondContact O-CB 2.47Å; K945-E949 PolarHBondContact O-N 2.66Å; R946-E949 PolarHBondContact O-N 2.59Å; E949-I951 VanDerWaalsContact C-N 3.31Å; E949-S952 PolarHBondContact O-N 3.49Å; E949-D953 VanDerWaalsContact O-CB 3.22Å; E949-D953 WeakPolarHBondContact O-CB 2.7Å; E949-D953 VanDerWaalsContact O-CG 3.26Å; E949-D953 PolarHBondContact O-N 3.2Å | |
| 950 | Q | 79.8 | Confident | 77.7 | Confident | 88 Ų | 88 | 102.4 Ų | 102.4 | 41% | 0.411 | 52% | 0.516 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -94.2 | 178.6 | -10 | 0 | 0 | 110.8 | R946 L947 D953 L954 | R946-Q950 WeakPolarHBondContact O-CB 2.4Å; R946-Q950 PolarHBondContact O-N 3.13Å; L947-Q950 CarbonylContact O-C 3.33Å; L947-Q950 WeakPolarHBondContact O-CB 3.17Å; L947-Q950 PolarHBondContact O-N 3.49Å; L947-Q950 VanDerWaalsContact O-N 3.14Å; Q950-D953 PolarHBondContact O-N 2.5Å; Q950-L954 WeakPolarHBondContact O-CA 2.69Å; Q950-L954 WeakPolarHBondContact O-CB 3Å; Q950-L954 WeakPolarHBondContact O-CG 3.06Å; Q950-L954 PolarHBondContact O-N 2.57Å | |
| 951 | I | 77 | Confident | 77.3 | Confident | 86 Ų | 86 | 101.7 Ų | 101.7 | 44% | 0.441 | 51% | 0.509 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -72.4 | 176.3 | 0 | 0 | 0 | 108.7 | L947 L948 E949 D953 L954 S955 | L947-I951 WeakPolarHBondContact O-CB 2.61Å; L947-I951 WeakPolarHBondContact O-CG1 2.11Å; L947-I951 PolarHBondContact O-N 2.47Å; L948-I951 PolarHBondContact O-N 3.34Å; E949-I951 VanDerWaalsContact C-N 3.31Å; I951-D953 VanDerWaalsContact C-N 3.35Å; I951-L954 CarbonylContact O-C 3.34Å; I951-L954 PolarHBondContact O-N 3.29Å; I951-L954 VanDerWaalsContact O-N 3.16Å; I951-S955 WeakPolarHBondContact O-CA 3.24Å; I951-S955 WeakPolarHBondContact O-CB 2.89Å; I951-S955 PolarHBondContact O-N 2.53Å; I951-S955 PolarHBondContact O-OG 3.34Å | |
| 952 | S | 78.5 | Confident | 77.1 | Confident | 58 Ų | 58 | 101.6 Ų | 101.6 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | 0 | -41.8 | 0 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | L948 E949 L954 S955 D956 | L948-S952 WeakPolarHBondContact O-CB 3.16Å; L948-S952 PolarHBondContact O-N 2.63Å; E949-S952 PolarHBondContact O-N 3.49Å; S952-L954 VanDerWaalsContact C-N 3.27Å; S952-S955 CarbonylContact O-C 3.59Å; S952-S955 PolarHBondContact O-N 2.64Å; S952-S955 VanDerWaalsContact O-N 3.15Å; S952-D956 VanDerWaalsContact O-CB 3.3Å; S952-D956 WeakPolarHBondContact O-CB 2.67Å; S952-D956 VanDerWaalsContact O-CG 3.23Å; S952-D956 PolarHBondContact O-N 2.72Å | |
| 953 | D | 78.9 | Confident | 76.8 | Confident | 91 Ų | 91 | 105.1 Ų | 105.1 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | 0 | 177.2 | -83.1 | -8.9 | 0 | 0 | 0 | 111.2 | E949 Q950 I951 S955 D956 Q957 | E949-D953 VanDerWaalsContact O-CB 3.22Å; E949-D953 WeakPolarHBondContact O-CB 2.7Å; E949-D953 VanDerWaalsContact O-CG 3.26Å; E949-D953 PolarHBondContact O-N 3.2Å; Q950-D953 PolarHBondContact O-N 2.5Å; I951-D953 VanDerWaalsContact C-N 3.35Å; D953-S955 PolarHBondContact O-N 3.2Å; D953-D956 PolarHBondContact O-N 2.54Å; D953-Q957 VanDerWaalsContact O-CB 3.26Å; D953-Q957 WeakPolarHBondContact O-CB 3.22Å; D953-Q957 VanDerWaalsContact O-CG 3.23Å; D953-Q957 WeakPolarHBondContact O-CG 2.99Å; D953-Q957 PolarHBondContact O-N 3.17Å |
| 954 | L | 75.2 | Confident | 76.4 | Confident | 107 Ų | 107 | 104 Ų | 104 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -79.1 | 167.8 | 0 | 0 | 0 | 110.3 | Q950 I951 S952 Q957 L958 | Q950-L954 WeakPolarHBondContact O-CA 2.69Å; Q950-L954 WeakPolarHBondContact O-CB 3Å; Q950-L954 WeakPolarHBondContact O-CG 3.06Å; Q950-L954 PolarHBondContact O-N 2.57Å; I951-L954 CarbonylContact O-C 3.34Å; I951-L954 PolarHBondContact O-N 3.29Å; I951-L954 VanDerWaalsContact O-N 3.16Å; S952-L954 VanDerWaalsContact C-N 3.27Å; L954-Q957 CarbonylContact O-C 3.55Å; L954-Q957 PolarHBondContact O-N 2.65Å; L954-L958 WeakPolarHBondContact O-CA 3.28Å; L954-L958 WeakPolarHBondContact O-CB 3.02Å; L954-L958 PolarHBondContact O-N 3.5Å | |
| 955 | S | 76.8 | Confident | 75.8 | Confident | 63 Ų | 63 | 106.7 Ų | 106.7 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | 0 | -42.1 | 0 | -89.8 | 0 | 0 | 0 | 0 | 110 | I951 S952 D953 Q957 L958 E959 | I951-S955 WeakPolarHBondContact O-CA 3.24Å; I951-S955 WeakPolarHBondContact O-CB 2.89Å; I951-S955 PolarHBondContact O-N 2.53Å; I951-S955 PolarHBondContact O-OG 3.34Å; S952-S955 CarbonylContact O-C 3.59Å; S952-S955 PolarHBondContact O-N 2.64Å; S952-S955 VanDerWaalsContact O-N 3.15Å; D953-S955 PolarHBondContact O-N 3.2Å; S955-Q957 PolarHBondContact O-N 2.69Å; S955-L958 CarbonylContact O-C 3.56Å; S955-L958 PolarHBondContact O-N 2.77Å; S955-L958 VanDerWaalsContact O-N 3.1Å; S955-E959 WeakPolarHBondContact O-CB 2.5Å; S955-E959 PolarHBondContact O-N 3.36Å | |
| 956 | D | 76.2 | Confident | 75.3 | Confident | 83 Ų | 83 | 106 Ų | 106 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | 0 | 174.4 | -75.4 | -13.2 | 0 | 0 | 0 | 111.5 | S952 D953 L958 E959 L960 | S952-D956 VanDerWaalsContact O-CB 3.3Å; S952-D956 WeakPolarHBondContact O-CB 2.67Å; S952-D956 VanDerWaalsContact O-CG 3.23Å; S952-D956 PolarHBondContact O-N 2.72Å; D953-D956 PolarHBondContact O-N 2.54Å; D956-L958 VanDerWaalsContact C-N 3.28Å; D956-E959 CarbonylContact O-C 3.34Å; D956-E959 PolarHBondContact O-N 2.05Å; D956-L960 VanDerWaalsContact O-CB 3.3Å; D956-L960 WeakPolarHBondContact O-CB 2.87Å; D956-L960 PolarHBondContact O-N 3.28Å |
| 957 | Q | 76.3 | Confident | 74.7 | Confident | 125 Ų | 125 | 106.2 Ų | 106.2 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -82.2 | -178 | -1.3 | 0 | 0 | 110.7 | D953 L954 S955 E959 L960 E961 | D953-Q957 VanDerWaalsContact O-CB 3.26Å; D953-Q957 WeakPolarHBondContact O-CB 3.22Å; D953-Q957 VanDerWaalsContact O-CG 3.23Å; D953-Q957 WeakPolarHBondContact O-CG 2.99Å; D953-Q957 PolarHBondContact O-N 3.17Å; L954-Q957 CarbonylContact O-C 3.55Å; L954-Q957 PolarHBondContact O-N 2.65Å; S955-Q957 PolarHBondContact O-N 2.69Å; Q957-E959 VanDerWaalsContact C-N 3.3Å; Q957-L960 CarbonylContact O-C 3.2Å; Q957-L960 PolarHBondContact O-N 1.96Å; Q957-E961 VanDerWaalsContact O-CA 3.24Å; Q957-E961 WeakPolarHBondContact O-CA 2.35Å; Q957-E961 WeakPolarHBondContact O-CB 2.82Å; Q957-E961 PolarHBondContact O-N 3.31Å | |
| 958 | L | 73.5 | Confident | 74 | Confident | 100 Ų | 100 | 105.4 Ų | 105.4 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -159.8 | 93.4 | 0 | 0 | 0 | 109.7 | L954 S955 D956 E961 E962 | L954-L958 WeakPolarHBondContact O-CA 3.28Å; L954-L958 WeakPolarHBondContact O-CB 3.02Å; L954-L958 PolarHBondContact O-N 3.5Å; S955-L958 CarbonylContact O-C 3.56Å; S955-L958 PolarHBondContact O-N 2.77Å; S955-L958 VanDerWaalsContact O-N 3.1Å; D956-L958 VanDerWaalsContact C-N 3.28Å; L958-E961 CarbonylContact O-C 3.54Å; L958-E961 PolarHBondContact O-N 2.68Å; L958-E962 VanDerWaalsContact O-CA 3.24Å; L958-E962 WeakPolarHBondContact O-CA 2.87Å; L958-E962 WeakPolarHBondContact O-CB 2.29Å; L958-E962 PolarHBondContact O-N 3.39Å | |
| 959 | E | 75.6 | Confident | 73.2 | Confident | 116 Ų | 116 | 105.9 Ų | 105.9 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | 0 | -38.1 | 0 | -138.3 | 176.8 | -179 | 0 | 0 | 110.4 | S955 D956 Q957 E961 E962 Q963 | S955-E959 WeakPolarHBondContact O-CB 2.5Å; S955-E959 PolarHBondContact O-N 3.36Å; D956-E959 CarbonylContact O-C 3.34Å; D956-E959 PolarHBondContact O-N 2.05Å; Q957-E959 VanDerWaalsContact C-N 3.3Å; E959-E961 VanDerWaalsContact C-N 3.28Å; E959-E962 PolarHBondContact O-N 2.06Å; E959-Q963 WeakPolarHBondContact O-CB 2.79Å; E959-Q963 WeakPolarHBondContact O-CG 3.02Å; E959-Q963 PolarHBondContact O-N 3.37Å | |
| 960 | L | 77.6 | Confident | 72.7 | Confident | 104 Ų | 104 | 105 Ų | 105 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.4 | 0 | 175.8 | -135.5 | 115.4 | 0 | 0 | 0 | 111.1 | D956 Q957 E962 Q963 Q964 | D956-L960 VanDerWaalsContact O-CB 3.3Å; D956-L960 WeakPolarHBondContact O-CB 2.87Å; D956-L960 PolarHBondContact O-N 3.28Å; Q957-L960 CarbonylContact O-C 3.2Å; Q957-L960 PolarHBondContact O-N 1.96Å; L960-E962 VanDerWaalsContact C-N 3.31Å; L960-Q963 CarbonylContact O-C 3.43Å; L960-Q963 PolarHBondContact O-N 2.04Å; L960-Q964 WeakPolarHBondContact O-CA 2.61Å; L960-Q964 VanDerWaalsContact O-CB 3.24Å; L960-Q964 WeakPolarHBondContact O-CB 3.04Å; L960-Q964 PolarHBondContact O-N 3.43Å |
| 961 | E | 71 | Confident | 71.9 | Confident | 95 Ų | 95 | 106.1 Ų | 106.1 | 44% | 0.444 | 53% | 0.525 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -105.4 | -107.7 | 169.6 | 0 | 0 | 110.2 | Q957 L958 E959 Q964 R965 | Q957-E961 VanDerWaalsContact O-CA 3.24Å; Q957-E961 WeakPolarHBondContact O-CA 2.35Å; Q957-E961 WeakPolarHBondContact O-CB 2.82Å; Q957-E961 PolarHBondContact O-N 3.31Å; L958-E961 CarbonylContact O-C 3.54Å; L958-E961 PolarHBondContact O-N 2.68Å; E959-E961 VanDerWaalsContact C-N 3.28Å; E961-Q964 CarbonylContact O-C 3.21Å; E961-Q964 PolarHBondContact O-N 2.38Å; E961-R965 VanDerWaalsContact C-N 3.3Å; E961-R965 WeakPolarHBondContact O-CA 2.86Å; E961-R965 WeakPolarHBondContact O-CB 3.11Å; E961-R965 PolarHBondContact O-N 3.28Å | |
| 962 | E | 71.7 | Confident | 71 | Confident | 107 Ų | 107 | 106.8 Ų | 106.8 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -103.9 | 172.5 | 176.2 | 0 | 0 | 109.8 | L958 E959 L960 Q964 R965 Q966 | L958-E962 VanDerWaalsContact O-CA 3.24Å; L958-E962 WeakPolarHBondContact O-CA 2.87Å; L958-E962 WeakPolarHBondContact O-CB 2.29Å; L958-E962 PolarHBondContact O-N 3.39Å; E959-E962 PolarHBondContact O-N 2.06Å; L960-E962 VanDerWaalsContact C-N 3.31Å; E962-Q964 VanDerWaalsContact C-N 3.27Å; E962-R965 CarbonylContact O-C 3.49Å; E962-R965 PolarHBondContact O-N 3.21Å; E962-Q966 WeakPolarHBondContact O-CB 3.2Å; E962-Q966 PolarHBondContact O-N 2Å | |
| 963 | Q | 72.7 | Confident | 70.1 | Confident | 126 Ų | 126 | 107.9 Ų | 107.9 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -84 | -177.3 | -6.9 | 0 | 0 | 111.2 | E959 L960 Q966 K967 | E959-Q963 WeakPolarHBondContact O-CB 2.79Å; E959-Q963 WeakPolarHBondContact O-CG 3.02Å; E959-Q963 PolarHBondContact O-N 3.37Å; L960-Q963 CarbonylContact O-C 3.43Å; L960-Q963 PolarHBondContact O-N 2.04Å; Q963-Q966 PolarHBondContact O-N 3.2Å; Q963-K967 WeakPolarHBondContact O-CB 3.36Å; Q963-K967 PolarHBondContact O-N 1.96Å | |
| 964 | Q | 71.9 | Confident | 69.5 | Low | 97 Ų | 97 | 107 Ų | 107 | 45% | 0.453 | 53% | 0.531 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -93.2 | 180 | -4.3 | 0 | 0 | 110.6 | L960 E961 E962 Q966 K967 L968 | L960-Q964 WeakPolarHBondContact O-CA 2.61Å; L960-Q964 VanDerWaalsContact O-CB 3.24Å; L960-Q964 WeakPolarHBondContact O-CB 3.04Å; L960-Q964 PolarHBondContact O-N 3.43Å; E961-Q964 CarbonylContact O-C 3.21Å; E961-Q964 PolarHBondContact O-N 2.38Å; E962-Q964 VanDerWaalsContact C-N 3.27Å; Q964-Q966 VanDerWaalsContact C-N 3.28Å; Q964-K967 CarbonylContact O-C 2.96Å; Q964-K967 VanDerWaalsContact O-C 3.3Å; Q964-K967 WeakPolarHBondContact O-CA 2.79Å; Q964-K967 WeakPolarHBondContact O-CB 3.1Å; Q964-K967 PolarHBondContact O-N 3.01Å; Q964-K967 VanDerWaalsContact O-N 3.11Å; Q964-L968 HydrophobicContact CB-CD1 4.29Å; Q964-L968 WeakPolarHBondContact O-CA 3.07Å; Q964-L968 WeakPolarHBondContact O-CB 3.3Å; Q964-L968 WeakPolarHBondContact O-CG 3.34Å; Q964-L968 PolarHBondContact O-N 3.42Å | |
| 965 | R | 65.1 | Low | 68.8 | Low | 154 Ų | 154 | 105.6 Ų | 105.6 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -122.2 | 179 | 178.8 | 151.2 | -1.3 | 109.4 | E961 E962 L968 Q969 | E961-R965 VanDerWaalsContact C-N 3.3Å; E961-R965 WeakPolarHBondContact O-CA 2.86Å; E961-R965 WeakPolarHBondContact O-CB 3.11Å; E961-R965 PolarHBondContact O-N 3.28Å; E962-R965 CarbonylContact O-C 3.49Å; E962-R965 PolarHBondContact O-N 3.21Å; R965-L968 CarbonylContact O-C 3.59Å; R965-L968 PolarHBondContact O-N 2.84Å; R965-Q969 WeakPolarHBondContact O-CA 3.31Å; R965-Q969 WeakPolarHBondContact O-CB 3.31Å; R965-Q969 PolarHBondContact O-N 2.74Å | |
| 966 | Q | 66.3 | Low | 67.6 | Low | 143 Ų | 143 | 106 Ų | 106 | 67% | 0.668 | 52% | 0.518 | S | S | * | . | H | α-helix | 0 | -30.4 | 0 | -104 | 174.5 | 2.3 | 0 | 0 | 110.4 | E962 Q963 Q964 L968 Q969 V970 | E962-Q966 WeakPolarHBondContact O-CB 3.2Å; E962-Q966 PolarHBondContact O-N 2Å; Q963-Q966 PolarHBondContact O-N 3.2Å; Q964-Q966 VanDerWaalsContact C-N 3.28Å; Q966-L968 VanDerWaalsContact C-N 3.34Å; Q966-Q969 PolarHBondContact O-N 3.16Å; Q966-V970 VanDerWaalsContact O-CG2 3.28Å; Q966-V970 WeakPolarHBondContact O-CG2 3.04Å; Q966-V970 PolarHBondContact O-N 3.01Å | |
| 967 | K | 70.6 | Confident | 66.8 | Low | 165 Ų | 165 | 109.5 Ų | 109.5 | 72% | 0.717 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -75.5 | 0 | 172.2 | -99.5 | -177.3 | -178.3 | -179.9 | 0 | 111.2 | Q963 Q964 Q969 V970 E971 | Q963-K967 WeakPolarHBondContact O-CB 3.36Å; Q963-K967 PolarHBondContact O-N 1.96Å; Q964-K967 CarbonylContact O-C 2.96Å; Q964-K967 VanDerWaalsContact O-C 3.3Å; Q964-K967 WeakPolarHBondContact O-CA 2.79Å; Q964-K967 WeakPolarHBondContact O-CB 3.1Å; Q964-K967 PolarHBondContact O-N 3.01Å; Q964-K967 VanDerWaalsContact O-N 3.11Å; K967-Q969 VanDerWaalsContact C-N 3.27Å; K967-V970 PolarHBondContact O-N 3.5Å; K967-E971 WeakPolarHBondContact O-CB 2.8Å; K967-E971 PolarHBondContact O-N 2.97Å |
| 968 | L | 63.9 | Low | 65.9 | Low | 80 Ų | 80 | 110.4 Ų | 110.4 | 42% | 0.419 | 53% | 0.533 | S | S | . | . | H | α-helix | 0 | -21.8 | 0 | -91.9 | 153.4 | 0 | 0 | 0 | 109.7 | Q964 R965 Q966 V970 E971 K972 | Q964-L968 HydrophobicContact CB-CD1 4.29Å; Q964-L968 WeakPolarHBondContact O-CA 3.07Å; Q964-L968 WeakPolarHBondContact O-CB 3.3Å; Q964-L968 WeakPolarHBondContact O-CG 3.34Å; Q964-L968 PolarHBondContact O-N 3.42Å; R965-L968 CarbonylContact O-C 3.59Å; R965-L968 PolarHBondContact O-N 2.84Å; Q966-L968 VanDerWaalsContact C-N 3.34Å; L968-V970 VanDerWaalsContact C-N 3.33Å; L968-E971 CarbonylContact O-C 3.59Å; L968-E971 WeakPolarHBondContact O-CA 3.13Å; L968-E971 PolarHBondContact O-N 3.28Å; L968-K972 VanDerWaalsContact C-CB 3.44Å; L968-K972 WeakPolarHBondContact O-CA 2.96Å; L968-K972 WeakPolarHBondContact O-CB 2.62Å; L968-K972 PolarHBondContact O-N 2.97Å | |
| 969 | Q | 60.8 | Low | 65.1 | Low | 106 Ų | 106 | 108.6 Ų | 108.6 | 50% | 0.495 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.6 | 0 | 175.4 | -161.9 | 132.4 | -7.7 | 0 | 0 | 109.7 | R965 Q966 K967 E971 K972 T973 | R965-Q969 WeakPolarHBondContact O-CA 3.31Å; R965-Q969 WeakPolarHBondContact O-CB 3.31Å; R965-Q969 PolarHBondContact O-N 2.74Å; Q966-Q969 PolarHBondContact O-N 3.16Å; K967-Q969 VanDerWaalsContact C-N 3.27Å; Q969-E971 VanDerWaalsContact C-N 3.29Å; Q969-K972 PolarHBondContact O-N 2.95Å; Q969-T973 WeakPolarHBondContact O-CB 3.07Å; Q969-T973 PolarHBondContact O-N 3.35Å; Q969-T973 PolarHBondContact O-OG1 3.23Å |
| 970 | V | 66.8 | Low | 64.2 | Low | 110 Ų | 110 | 106.8 Ų | 106.8 | 67% | 0.667 | 53% | 0.526 | S | S | * | . | H | α-helix | 0 | -26.7 | 0 | 173.9 | 0 | 0 | 0 | 0 | 109.5 | Q966 K967 L968 T973 | Q966-V970 VanDerWaalsContact O-CG2 3.28Å; Q966-V970 WeakPolarHBondContact O-CG2 3.04Å; Q966-V970 PolarHBondContact O-N 3.01Å; K967-V970 PolarHBondContact O-N 3.5Å; L968-V970 VanDerWaalsContact C-N 3.33Å; V970-T973 WeakPolarHBondContact CA-OG1 3.38Å; V970-T973 PolarHBondContact O-OG1 3.25Å | |
| 971 | E | 63.9 | Low | 63.4 | Low | 113 Ų | 113 | 109.1 Ų | 109.1 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -89.6 | 0 | 174.7 | -97.3 | -175.2 | 177.1 | 0 | 0 | 111 | K967 L968 Q969 T973 S974 I975 | K967-E971 WeakPolarHBondContact O-CB 2.8Å; K967-E971 PolarHBondContact O-N 2.97Å; L968-E971 CarbonylContact O-C 3.59Å; L968-E971 WeakPolarHBondContact O-CA 3.13Å; L968-E971 PolarHBondContact O-N 3.28Å; Q969-E971 VanDerWaalsContact C-N 3.29Å; E971-T973 VanDerWaalsContact C-N 3.34Å; E971-S974 CarbonylContact O-C 3.4Å; E971-S974 WeakPolarHBondContact O-CA 3.18Å; E971-S974 WeakPolarHBondContact O-CB 3.41Å; E971-S974 PolarHBondContact O-N 2.84Å; E971-S974 VanDerWaalsContact O-N 3.08Å; E971-I975 WeakPolarHBondContact O-CA 3.32Å; E971-I975 VanDerWaalsContact O-CB 3.24Å; E971-I975 WeakPolarHBondContact O-CB 3.07Å; E971-I975 WeakPolarHBondContact O-CG1 3.43Å; E971-I975 PolarHBondContact O-N 3.42Å |
| 972 | K | 57.7 | Low | 62.6 | Low | 100 Ų | 100 | 110.8 Ų | 110.8 | 44% | 0.435 | 55% | 0.546 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -177.3 | -176.2 | 173.2 | -174.4 | 0 | 109.4 | L968 Q969 S974 I975 E976 | L968-K972 VanDerWaalsContact C-CB 3.44Å; L968-K972 WeakPolarHBondContact O-CA 2.96Å; L968-K972 WeakPolarHBondContact O-CB 2.62Å; L968-K972 PolarHBondContact O-N 2.97Å; Q969-K972 PolarHBondContact O-N 2.95Å; K972-S974 PolarHBondContact O-N 3.26Å; K972-I975 CarbonylContact O-C 3.53Å; K972-I975 VanDerWaalsContact O-C 3.32Å; K972-I975 PolarHBondContact O-N 3.18Å; K972-E976 VanDerWaalsContact C-N 3.29Å; K972-E976 HydrophobicContact CB-CG 4.01Å; K972-E976 HydrophobicContact CD-CG 3.68Å; K972-E976 WeakPolarHBondContact CD-OE1 3.25Å; K972-E976 CovalentContact CE-OE1 1.59Å; K972-E976 WeakPolarHBondContact CE-OE1 3.48Å; K972-E976 HydrophobicContact CG-CB 4.04Å; K972-E976 HydrophobicContact CG-CG 2.82Å; K972-E976 WeakPolarHBondContact CG-OE1 2.99Å; K972-E976 IonicContact NZ-OE1 3.5Å; K972-E976 PolarHBondContact NZ-OE1 3.3Å; K972-E976 WeakPolarHBondContact O-CA 3.22Å; K972-E976 WeakPolarHBondContact O-CB 2.58Å; K972-E976 WeakPolarHBondContact O-CG 2.7Å; K972-E976 PolarHBondContact O-N 2.92Å | |
| 973 | T | 60.1 | Low | 61.9 | Low | 81 Ų | 81 | 110 Ų | 110 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | H | α-helix | 0 | -21.9 | 0 | 25.8 | 0 | 0 | 0 | 0 | 110 | Q969 V970 E971 | Q969-T973 WeakPolarHBondContact O-CB 3.07Å; Q969-T973 PolarHBondContact O-N 3.35Å; Q969-T973 PolarHBondContact O-OG1 3.23Å; V970-T973 WeakPolarHBondContact CA-OG1 3.38Å; V970-T973 PolarHBondContact O-OG1 3.25Å; E971-T973 VanDerWaalsContact C-N 3.34Å | |
| 974 | S | 66.3 | Low | 61.3 | Low | 73 Ų | 73 | 110.1 Ų | 110.1 | 51% | 0.51 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -89.2 | 0 | 176.6 | 161.2 | 0 | 0 | 0 | 0 | 111 | E971 K972 | E971-S974 CarbonylContact O-C 3.4Å; E971-S974 WeakPolarHBondContact O-CA 3.18Å; E971-S974 WeakPolarHBondContact O-CB 3.41Å; E971-S974 PolarHBondContact O-N 2.84Å; E971-S974 VanDerWaalsContact O-N 3.08Å; K972-S974 PolarHBondContact O-N 3.26Å |
| 975 | I | 60 | Low | 60.8 | Low | 76 Ų | 76 | 107.5 Ų | 107.5 | 39% | 0.39 | 55% | 0.549 | S | S | . | . | H | α-helix | 0 | -25.9 | 0 | -68.8 | 179.1 | 0 | 0 | 0 | 108.8 | E971 K972 Q977 K978 V979 | E971-I975 WeakPolarHBondContact O-CA 3.32Å; E971-I975 VanDerWaalsContact O-CB 3.24Å; E971-I975 WeakPolarHBondContact O-CB 3.07Å; E971-I975 WeakPolarHBondContact O-CG1 3.43Å; E971-I975 PolarHBondContact O-N 3.42Å; K972-I975 CarbonylContact O-C 3.53Å; K972-I975 VanDerWaalsContact O-C 3.32Å; K972-I975 PolarHBondContact O-N 3.18Å; I975-Q977 PolarHBondContact O-N 3.38Å; I975-K978 VanDerWaalsContact C-N 3.28Å; I975-K978 CarbonylContact O-C 3.44Å; I975-K978 WeakPolarHBondContact O-CA 3.07Å; I975-K978 VanDerWaalsContact O-CB 3.22Å; I975-K978 WeakPolarHBondContact O-CB 3.38Å; I975-K978 PolarHBondContact O-N 3.39Å; I975-V979 HydrophobicContact CB-CG2 4.49Å; I975-V979 HydrophobicContact CG2-CG2 3.25Å; I975-V979 WeakPolarHBondContact O-CA 3.25Å; I975-V979 WeakPolarHBondContact O-CB 3.37Å; I975-V979 VanDerWaalsContact O-CG2 3.26Å; I975-V979 WeakPolarHBondContact O-CG2 3.45Å; I975-V979 PolarHBondContact O-N 2.95Å | |
| 976 | E | 52.2 | Low | 60.3 | Low | 72 Ų | 72 | 105.9 Ų | 105.9 | 34% | 0.336 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.3 | 0 | 173.3 | -84.6 | 175.5 | 174.4 | 0 | 0 | 110.6 | K972 K978 V979 S980 | K972-E976 VanDerWaalsContact C-N 3.29Å; K972-E976 HydrophobicContact CB-CG 4.01Å; K972-E976 HydrophobicContact CD-CG 3.68Å; K972-E976 WeakPolarHBondContact CD-OE1 3.25Å; K972-E976 CovalentContact CE-OE1 1.59Å; K972-E976 WeakPolarHBondContact CE-OE1 3.48Å; K972-E976 HydrophobicContact CG-CB 4.04Å; K972-E976 HydrophobicContact CG-CG 2.82Å; K972-E976 WeakPolarHBondContact CG-OE1 2.99Å; K972-E976 IonicContact NZ-OE1 3.5Å; K972-E976 PolarHBondContact NZ-OE1 3.3Å; K972-E976 WeakPolarHBondContact O-CA 3.22Å; K972-E976 WeakPolarHBondContact O-CB 2.58Å; K972-E976 WeakPolarHBondContact O-CG 2.7Å; K972-E976 PolarHBondContact O-N 2.92Å; E976-K978 VanDerWaalsContact C-N 3.27Å; E976-V979 PolarHBondContact O-N 2.97Å; E976-S980 VanDerWaalsContact O-CB 3.29Å; E976-S980 WeakPolarHBondContact O-CB 3.42Å; E976-S980 PolarHBondContact O-N 3.41Å |
| 977 | Q | 57.9 | Low | 60 | Low | 156 Ų | 156 | 102.1 Ų | 102.1 | 73% | 0.729 | 53% | 0.53 | S | S | * | . | H | α-helix | 0 | -17 | 0 | -98.1 | 179.9 | -5.1 | 0 | 0 | 111 | I975 | I975-Q977 PolarHBondContact O-N 3.38Å | |
| 978 | K | 58.7 | Low | 59.6 | Low | 145 Ų | 145 | 97.6 Ų | 97.6 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -102.8 | 0 | 177.2 | -101.2 | 178.2 | -177 | 177.1 | 0 | 111 | I975 E976 Q981 | I975-K978 VanDerWaalsContact C-N 3.28Å; I975-K978 CarbonylContact O-C 3.44Å; I975-K978 WeakPolarHBondContact O-CA 3.07Å; I975-K978 VanDerWaalsContact O-CB 3.22Å; I975-K978 WeakPolarHBondContact O-CB 3.38Å; I975-K978 PolarHBondContact O-N 3.39Å; E976-K978 VanDerWaalsContact C-N 3.27Å; K978-Q981 WeakPolarHBondContact O-CB 2.72Å; K978-Q981 PolarHBondContact O-N 2.92Å |
| 979 | V | 56 | Low | 59.5 | Low | 61 Ų | 61 | 98.6 Ų | 98.6 | 37% | 0.37 | 52% | 0.524 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 168.7 | 0 | 0 | 0 | 0 | 108.6 | I975 E976 Q981 L982 N983 | I975-V979 HydrophobicContact CB-CG2 4.49Å; I975-V979 HydrophobicContact CG2-CG2 3.25Å; I975-V979 WeakPolarHBondContact O-CA 3.25Å; I975-V979 WeakPolarHBondContact O-CB 3.37Å; I975-V979 VanDerWaalsContact O-CG2 3.26Å; I975-V979 WeakPolarHBondContact O-CG2 3.45Å; I975-V979 PolarHBondContact O-N 2.95Å; E976-V979 PolarHBondContact O-N 2.97Å; V979-Q981 PolarHBondContact O-N 2.8Å; V979-L982 CarbonylContact O-C 3.35Å; V979-L982 PolarHBondContact O-N 3.4Å; V979-N983 VanDerWaalsContact O-CA 3.23Å; V979-N983 WeakPolarHBondContact O-CA 2.79Å; V979-N983 WeakPolarHBondContact O-CB 3.03Å; V979-N983 PolarHBondContact O-N 2.87Å | |
| 980 | S | 57.7 | Low | 59.4 | Low | 78 Ų | 78 | 97 Ų | 97 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | 0 | -11.7 | 0 | 172 | 0 | 0 | 0 | 0 | 110.6 | E976 | E976-S980 VanDerWaalsContact O-CB 3.29Å; E976-S980 WeakPolarHBondContact O-CB 3.42Å; E976-S980 PolarHBondContact O-N 3.41Å | |
| 981 | Q | 60 | Low | 59.1 | Low | 153 Ų | 153 | 96.3 Ų | 96.3 | 72% | 0.715 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -103.7 | -12.3 | 176.6 | -86.4 | 178.7 | 8.2 | 0 | 0 | 110.7 | K978 V979 | K978-Q981 WeakPolarHBondContact O-CB 2.72Å; K978-Q981 PolarHBondContact O-N 2.92Å; V979-Q981 PolarHBondContact O-N 2.8Å |
| 982 | L | 55.3 | Low | 59 | Low | 131 Ų | 131 | 97.9 Ų | 97.9 | 69% | 0.686 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -108.9 | -8.2 | 174.8 | -80.4 | 168.5 | 0 | 0 | 0 | 110.5 | V979 D984 G985 Y986 | V979-L982 CarbonylContact O-C 3.35Å; V979-L982 PolarHBondContact O-N 3.4Å; L982-D984 PolarHBondContact O-N 2.94Å; L982-G985 PolarHBondContact O-N 3.17Å; L982-Y986 PolarHBondContact O-N 3.37Å |
| 983 | N | 57.1 | Low | 58.9 | Low | 89 Ų | 89 | 98 Ų | 98 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76.2 | 0 | 174.1 | -145.4 | 24.6 | 0 | 0 | 0 | 110.4 | V979 V987 | V979-N983 VanDerWaalsContact O-CA 3.23Å; V979-N983 WeakPolarHBondContact O-CA 2.79Å; V979-N983 WeakPolarHBondContact O-CB 3.03Å; V979-N983 PolarHBondContact O-N 2.87Å; N983-V987 WeakPolarHBondContact O-CG2 3.2Å |
| 984 | D | 59.6 | Low | 58.9 | Low | 130 Ų | 130 | 97 Ų | 97 | 70% | 0.695 | 50% | 0.504 | S | S | * | . | H | α-helix | 0 | 2.1 | 0 | -83.8 | -12.5 | 0 | 0 | 0 | 110.4 | L982 | L982-D984 PolarHBondContact O-N 2.94Å | |
| 985 | G | 60.2 | Low | 58.6 | Low | 42 Ų | 42 | 100.6 Ų | 100.6 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -116 | 0 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | L982 V987 S988 I989 | L982-G985 PolarHBondContact O-N 3.17Å; G985-V987 PolarHBondContact O-N 2.72Å; G985-S988 PolarHBondContact O-N 3.45Å; G985-I989 PolarHBondContact O-N 3.03Å |
| 986 | Y | 55.7 | Low | 58.4 | Low | 119 Ų | 119 | 102.3 Ų | 102.3 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -165 | -98.3 | 0 | 0 | 0 | 110.6 | L982 S988 I989 E990 | L982-Y986 PolarHBondContact O-N 3.37Å; Y986-S988 PolarHBondContact O-N 3.49Å; Y986-I989 CarbonylContact O-C 3.45Å; Y986-I989 VanDerWaalsContact O-C 3.29Å; Y986-I989 PolarHBondContact O-N 2.83Å; Y986-E990 HydrophobicContact CD1-CB 4.2Å; Y986-E990 HydrophobicContact CD1-CG 4.09Å; Y986-E990 HydrophobicContact CE1-CG 4.22Å; Y986-E990 WeakPolarHBondContact O-CA 3.47Å; Y986-E990 WeakPolarHBondContact O-CB 2.81Å; Y986-E990 PolarHBondContact O-N 2.97Å | |
| 987 | V | 60.7 | Low | 58.7 | Low | 64 Ų | 64 | 100.5 Ų | 100.5 | 39% | 0.388 | 51% | 0.514 | S | S | . | . | H | α-helix | 0 | -13 | 0 | 171.7 | 0 | 0 | 0 | 0 | 109.2 | N983 G985 E990 D991 | N983-V987 WeakPolarHBondContact O-CG2 3.2Å; G985-V987 PolarHBondContact O-N 2.72Å; V987-E990 VanDerWaalsContact CA-CB 3.47Å; V987-E990 CarbonylContact O-C 3.44Å; V987-D991 WeakPolarHBondContact O-CB 2.31Å; V987-D991 PolarHBondContact O-N 3.07Å | |
| 988 | S | 61.1 | Low | 58.7 | Low | 70 Ų | 70 | 99.5 Ų | 99.5 | 49% | 0.49 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -102.9 | 0 | 176.7 | 130.1 | 0 | 0 | 0 | 0 | 110.1 | G985 Y986 E990 D991 K992 | G985-S988 PolarHBondContact O-N 3.45Å; Y986-S988 PolarHBondContact O-N 3.49Å; S988-E990 VanDerWaalsContact C-N 3.32Å; S988-D991 PolarHBondContact O-N 2.83Å; S988-K992 WeakPolarHBondContact O-CB 2.31Å; S988-K992 PolarHBondContact O-N 3.05Å |
| 989 | I | 61.3 | Low | 58.7 | Low | 102 Ų | 102 | 96.2 Ų | 96.2 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | 0 | -16.8 | 0 | -70.8 | 173.7 | 0 | 0 | 0 | 109.4 | G985 Y986 D991 K992 Y993 | G985-I989 PolarHBondContact O-N 3.03Å; Y986-I989 CarbonylContact O-C 3.45Å; Y986-I989 VanDerWaalsContact O-C 3.29Å; Y986-I989 PolarHBondContact O-N 2.83Å; I989-D991 VanDerWaalsContact C-N 3.33Å; I989-K992 CarbonylContact O-C 3.32Å; I989-K992 PolarHBondContact O-N 3.24Å; I989-Y993 WeakPolarHBondContact O-CA 3.11Å; I989-Y993 WeakPolarHBondContact O-CB 2.47Å; I989-Y993 PolarHBondContact O-N 3.25Å | |
| 990 | E | 58.6 | Low | 58.5 | Low | 72 Ų | 72 | 98.2 Ų | 98.2 | 34% | 0.336 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -81.6 | 0 | 170.4 | -144.4 | 178.9 | -178.2 | 0 | 0 | 111.2 | Y986 V987 S988 Y993 N994 | Y986-E990 HydrophobicContact CD1-CB 4.2Å; Y986-E990 HydrophobicContact CD1-CG 4.09Å; Y986-E990 HydrophobicContact CE1-CG 4.22Å; Y986-E990 WeakPolarHBondContact O-CA 3.47Å; Y986-E990 WeakPolarHBondContact O-CB 2.81Å; Y986-E990 PolarHBondContact O-N 2.97Å; V987-E990 VanDerWaalsContact CA-CB 3.47Å; V987-E990 CarbonylContact O-C 3.44Å; S988-E990 VanDerWaalsContact C-N 3.32Å; E990-Y993 VanDerWaalsContact CA-CB 3.45Å; E990-Y993 CarbonylContact O-C 3.44Å; E990-Y993 VanDerWaalsContact O-C 3.31Å; E990-N994 VanDerWaalsContact C-N 3.3Å; E990-N994 WeakPolarHBondContact O-CA 3.3Å; E990-N994 WeakPolarHBondContact O-CB 2.88Å; E990-N994 PolarHBondContact O-N 2.99Å; E990-N994 PolarHBondContact O-ND2 3.4Å; E990-N994 PolarHBondContact O-OD1 3.31Å |
| 991 | D | 61.3 | Low | 58.5 | Low | 95 Ų | 95 | 99.9 Ų | 99.9 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | 0 | -27.2 | 0 | -95.8 | -7.8 | 0 | 0 | 0 | 110.2 | V987 S988 I989 N994 K995 | V987-D991 WeakPolarHBondContact O-CB 2.31Å; V987-D991 PolarHBondContact O-N 3.07Å; S988-D991 PolarHBondContact O-N 2.83Å; I989-D991 VanDerWaalsContact C-N 3.33Å; D991-N994 CarbonylContact O-C 3.5Å; D991-N994 PolarHBondContact O-N 3.47Å; D991-K995 WeakPolarHBondContact O-CA 3.39Å; D991-K995 WeakPolarHBondContact O-CB 3.02Å; D991-K995 PolarHBondContact O-N 2.9Å | |
| 992 | K | 60.7 | Low | 58.4 | Low | 146 Ų | 146 | 98.4 Ų | 98.4 | 64% | 0.635 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -88.5 | -20.4 | 169.9 | -89.3 | -179.2 | -175.3 | 175 | 0 | 110.5 | S988 I989 N994 K995 L996 | S988-K992 WeakPolarHBondContact O-CB 2.31Å; S988-K992 PolarHBondContact O-N 3.05Å; I989-K992 CarbonylContact O-C 3.32Å; I989-K992 PolarHBondContact O-N 3.24Å; K992-N994 VanDerWaalsContact C-N 3.28Å; K992-K995 CarbonylContact O-C 3.35Å; K992-L996 WeakPolarHBondContact O-CA 2.94Å; K992-L996 WeakPolarHBondContact O-CB 2.71Å; K992-L996 WeakPolarHBondContact O-CD1 2.89Å; K992-L996 WeakPolarHBondContact O-CG 3.27Å; K992-L996 PolarHBondContact O-N 2.8Å |
| 993 | Y | 56.7 | Low | 58.5 | Low | 104 Ų | 104 | 96.5 Ų | 96.5 | 41% | 0.408 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -84.8 | -23 | 170.9 | -179.1 | -102.7 | 0 | 0 | 0 | 109.8 | I989 E990 L996 V997 | I989-Y993 WeakPolarHBondContact O-CA 3.11Å; I989-Y993 WeakPolarHBondContact O-CB 2.47Å; I989-Y993 PolarHBondContact O-N 3.25Å; E990-Y993 VanDerWaalsContact CA-CB 3.45Å; E990-Y993 CarbonylContact O-C 3.44Å; E990-Y993 VanDerWaalsContact O-C 3.31Å; Y993-L996 CarbonylContact O-C 3.46Å; Y993-V997 HydrophobicContact CD1-CB 4.26Å; Y993-V997 HydrophobicContact CD1-CG2 2.83Å; Y993-V997 HydrophobicContact CD2-CG2 3.77Å; Y993-V997 HydrophobicContact CE1-CG2 3.13Å; Y993-V997 HydrophobicContact CE2-CG2 4.01Å; Y993-V997 HydrophobicContact CG-CG2 3.18Å; Y993-V997 WeakPolarHBondContact O-CA 1.95Å; Y993-V997 WeakPolarHBondContact O-CB 2.98Å; Y993-V997 CovalentContact O-CG2 1.72Å; Y993-V997 WeakPolarHBondContact O-CG2 3.09Å; Y993-V997 PolarHBondContact O-N 3.23Å |
| 994 | N | 59.9 | Low | 58.5 | Low | 60 Ų | 60 | 93.7 Ų | 93.7 | 32% | 0.321 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -87.6 | -28.6 | 173.5 | -76.5 | -27.8 | 0 | 0 | 0 | 110.8 | E990 D991 K992 V997 K998 | E990-N994 VanDerWaalsContact C-N 3.3Å; E990-N994 WeakPolarHBondContact O-CA 3.3Å; E990-N994 WeakPolarHBondContact O-CB 2.88Å; E990-N994 PolarHBondContact O-N 2.99Å; E990-N994 PolarHBondContact O-ND2 3.4Å; E990-N994 PolarHBondContact O-OD1 3.31Å; D991-N994 CarbonylContact O-C 3.5Å; D991-N994 PolarHBondContact O-N 3.47Å; K992-N994 VanDerWaalsContact C-N 3.28Å; N994-V997 VanDerWaalsContact C-CB 3.42Å; N994-V997 VanDerWaalsContact C-N 3.31Å; N994-V997 HydrophobicContact CB-CB 4.22Å; N994-V997 CarbonylContact O-C 3.42Å; N994-V997 WeakPolarHBondContact O-CA 3.33Å; N994-V997 WeakPolarHBondContact O-CB 3.42Å; N994-V997 PolarHBondContact O-N 3.35Å; N994-K998 WeakPolarHBondContact O-CA 1.85Å; N994-K998 WeakPolarHBondContact O-CB 2.1Å; N994-K998 VanDerWaalsContact O-CG 3.25Å; N994-K998 WeakPolarHBondContact O-CG 2.26Å; N994-K998 PolarHBondContact O-N 2.84Å |
| 995 | K | 59.7 | Low | 58.5 | Low | 148 Ų | 148 | 91 Ų | 91 | 64% | 0.643 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -82 | -32.1 | 170.3 | -116.3 | 177.5 | -177.7 | 178.2 | 0 | 110 | D991 K992 K998 D999 | D991-K995 WeakPolarHBondContact O-CA 3.39Å; D991-K995 WeakPolarHBondContact O-CB 3.02Å; D991-K995 PolarHBondContact O-N 2.9Å; K992-K995 CarbonylContact O-C 3.35Å; K995-K998 VanDerWaalsContact C-N 3.32Å; K995-K998 CarbonylContact O-C 3.56Å; K995-K998 VanDerWaalsContact O-C 3.27Å; K995-K998 PolarHBondContact O-N 3.31Å; K995-D999 VanDerWaalsContact C-N 3.33Å; K995-D999 WeakPolarHBondContact O-CA 2.09Å; K995-D999 WeakPolarHBondContact O-CB 2.37Å; K995-D999 PolarHBondContact O-N 3.36Å |
| 996 | L | 56.1 | Low | 58.5 | Low | 112 Ų | 112 | 96.7 Ų | 96.7 | 59% | 0.586 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -82 | -19.4 | 169.9 | -98.1 | 151.9 | 0 | 0 | 0 | 109.8 | K992 Y993 D999 K1000 | K992-L996 WeakPolarHBondContact O-CA 2.94Å; K992-L996 WeakPolarHBondContact O-CB 2.71Å; K992-L996 WeakPolarHBondContact O-CD1 2.89Å; K992-L996 WeakPolarHBondContact O-CG 3.27Å; K992-L996 PolarHBondContact O-N 2.8Å; Y993-L996 CarbonylContact O-C 3.46Å; L996-D999 CarbonylContact O-C 3.48Å; L996-D999 VanDerWaalsContact O-C 3.29Å; L996-K1000 CarbonylContact O-C 3.06Å; L996-K1000 WeakPolarHBondContact O-CA 3.26Å; L996-K1000 CovalentContact O-CB 1.81Å; L996-K1000 WeakPolarHBondContact O-CB 2.77Å; L996-K1000 VanDerWaalsContact O-CG 3.27Å; L996-K1000 WeakPolarHBondContact O-CG 2.13Å; L996-K1000 PolarHBondContact O-N 3.31Å |
| 997 | V | 57.8 | Low | 58.7 | Low | 33 Ų | 33 | 94.9 Ų | 94.9 | 20% | 0.2 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -84.9 | -24.6 | 170.7 | 170.2 | 0 | 0 | 0 | 0 | 109.2 | Y993 N994 K1000 K1001 | Y993-V997 HydrophobicContact CD1-CB 4.26Å; Y993-V997 HydrophobicContact CD1-CG2 2.83Å; Y993-V997 HydrophobicContact CD2-CG2 3.77Å; Y993-V997 HydrophobicContact CE1-CG2 3.13Å; Y993-V997 HydrophobicContact CE2-CG2 4.01Å; Y993-V997 HydrophobicContact CG-CG2 3.18Å; Y993-V997 WeakPolarHBondContact O-CA 1.95Å; Y993-V997 WeakPolarHBondContact O-CB 2.98Å; Y993-V997 CovalentContact O-CG2 1.72Å; Y993-V997 WeakPolarHBondContact O-CG2 3.09Å; Y993-V997 PolarHBondContact O-N 3.23Å; N994-V997 VanDerWaalsContact C-CB 3.42Å; N994-V997 VanDerWaalsContact C-N 3.31Å; N994-V997 HydrophobicContact CB-CB 4.22Å; N994-V997 CarbonylContact O-C 3.42Å; N994-V997 WeakPolarHBondContact O-CA 3.33Å; N994-V997 WeakPolarHBondContact O-CB 3.42Å; N994-V997 PolarHBondContact O-N 3.35Å; V997-K1000 VanDerWaalsContact CA-CB 3.5Å; V997-K1000 CarbonylContact O-C 3.44Å; V997-K1001 WeakPolarHBondContact O-CA 1.83Å; V997-K1001 WeakPolarHBondContact O-CB 2.02Å; V997-K1001 WeakPolarHBondContact O-CG 1.81Å; V997-K1001 PolarHBondContact O-N 3.36Å |
| 998 | K | 59.6 | Low | 58.6 | Low | 136 Ų | 136 | 95 Ų | 95 | 59% | 0.591 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -92.4 | -30.9 | 173 | -107.1 | -179.4 | -178.4 | 178.6 | 0 | 109.6 | N994 K995 K1000 K1001 Q1002 | N994-K998 WeakPolarHBondContact O-CA 1.85Å; N994-K998 WeakPolarHBondContact O-CB 2.1Å; N994-K998 VanDerWaalsContact O-CG 3.25Å; N994-K998 WeakPolarHBondContact O-CG 2.26Å; N994-K998 PolarHBondContact O-N 2.84Å; K995-K998 VanDerWaalsContact C-N 3.32Å; K995-K998 CarbonylContact O-C 3.56Å; K995-K998 VanDerWaalsContact O-C 3.27Å; K995-K998 PolarHBondContact O-N 3.31Å; K998-K1000 VanDerWaalsContact C-N 3.31Å; K998-K1001 CarbonylContact O-C 3.47Å; K998-K1001 PolarHBondContact O-N 3.44Å; K998-Q1002 WeakPolarHBondContact O-CA 2.65Å; K998-Q1002 WeakPolarHBondContact O-CB 2.7Å; K998-Q1002 WeakPolarHBondContact O-CG 3.42Å; K998-Q1002 PolarHBondContact O-N 2.86Å |
| 999 | D | 57.8 | Low | 58.7 | Low | 76 Ų | 76 | 95.5 Ų | 95.5 | 41% | 0.406 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -84.7 | -27.7 | 171 | -81.4 | -8.3 | 0 | 0 | 0 | 109.6 | K995 L996 Q1002 L1003 T1004 | K995-D999 VanDerWaalsContact C-N 3.33Å; K995-D999 WeakPolarHBondContact O-CA 2.09Å; K995-D999 WeakPolarHBondContact O-CB 2.37Å; K995-D999 PolarHBondContact O-N 3.36Å; L996-D999 CarbonylContact O-C 3.48Å; L996-D999 VanDerWaalsContact O-C 3.29Å; D999-Q1002 CarbonylContact O-C 3.34Å; D999-Q1002 VanDerWaalsContact O-C 3.3Å; D999-L1003 HydrophobicContact CB-CD1 3.98Å; D999-L1003 CarbonylContact O-C 3.39Å; D999-L1003 WeakPolarHBondContact O-CA 2.42Å; D999-L1003 WeakPolarHBondContact O-CB 2.8Å; D999-L1003 WeakPolarHBondContact O-CD1 3.04Å; D999-L1003 WeakPolarHBondContact O-CG 2.39Å; D999-L1003 PolarHBondContact O-N 3.41Å; D999-T1004 PolarHBondContact O-N 3.37Å |
| 1000 | K | 52.7 | Low | 58.6 | Low | 103 Ų | 103 | 94.4 Ų | 94.4 | 45% | 0.448 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -79.7 | -26.6 | 169.2 | -169.2 | -177.8 | 172.8 | -179.4 | 0 | 110.2 | L996 V997 K998 L1003 T1004 D1005 | L996-K1000 CarbonylContact O-C 3.06Å; L996-K1000 WeakPolarHBondContact O-CA 3.26Å; L996-K1000 CovalentContact O-CB 1.81Å; L996-K1000 WeakPolarHBondContact O-CB 2.77Å; L996-K1000 VanDerWaalsContact O-CG 3.27Å; L996-K1000 WeakPolarHBondContact O-CG 2.13Å; L996-K1000 PolarHBondContact O-N 3.31Å; V997-K1000 VanDerWaalsContact CA-CB 3.5Å; V997-K1000 CarbonylContact O-C 3.44Å; K998-K1000 VanDerWaalsContact C-N 3.31Å; K1000-L1003 CarbonylContact O-C 3.18Å; K1000-L1003 VanDerWaalsContact O-C 3.22Å; K1000-T1004 WeakPolarHBondContact CA-OG1 3.18Å; K1000-T1004 WeakPolarHBondContact CB-OG1 3.23Å; K1000-T1004 HydrophobicContact CG-CG2 4.3Å; K1000-T1004 WeakPolarHBondContact CG-OG1 2.96Å; K1000-T1004 CarbonylContact O-C 3.2Å; K1000-T1004 WeakPolarHBondContact O-CA 3.11Å; K1000-T1004 WeakPolarHBondContact O-CB 3.45Å; K1000-T1004 WeakPolarHBondContact O-CG2 2.83Å; K1000-T1004 PolarHBondContact O-N 2.86Å; K1000-T1004 CovalentContact O-OG1 0.94Å; K1000-T1004 PolarHBondContact O-OG1 3.32Å; K1000-D1005 PolarHBondContact O-N 2.81Å |
| 1001 | K | 56.9 | Low | 58.7 | Low | 113 Ų | 113 | 92.8 Ų | 92.8 | 49% | 0.491 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -85.7 | -37.3 | 171.9 | -156.2 | 175.2 | 177.4 | 174 | 0 | 110.9 | V997 K998 T1004 D1005 | V997-K1001 WeakPolarHBondContact O-CA 1.83Å; V997-K1001 WeakPolarHBondContact O-CB 2.02Å; V997-K1001 WeakPolarHBondContact O-CG 1.81Å; V997-K1001 PolarHBondContact O-N 3.36Å; K998-K1001 CarbonylContact O-C 3.47Å; K998-K1001 PolarHBondContact O-N 3.44Å; K1001-T1004 VanDerWaalsContact CA-OG1 3.31Å; K1001-T1004 WeakPolarHBondContact CA-OG1 3.29Å; K1001-T1004 PolarHBondContact N-OG1 3.46Å; K1001-T1004 CarbonylContact O-C 3.22Å; K1001-D1005 VanDerWaalsContact CG-CG 3.48Å; K1001-D1005 WeakPolarHBondContact CG-OD1 1.7Å; K1001-D1005 WeakPolarHBondContact CG-OD2 3.32Å; K1001-D1005 CarbonylContact O-C 3.09Å; K1001-D1005 WeakPolarHBondContact O-CA 3.22Å; K1001-D1005 WeakPolarHBondContact O-CB 3.32Å; K1001-D1005 PolarHBondContact O-N 3.37Å |
| 1002 | Q | 58.8 | Low | 58.6 | Low | 121 Ų | 121 | 90.2 Ų | 90.2 | 57% | 0.565 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -79.9 | -32.8 | 171.9 | -86.2 | -178.1 | -2.7 | 0 | 0 | 109.7 | K998 D999 D1005 R1006 | K998-Q1002 WeakPolarHBondContact O-CA 2.65Å; K998-Q1002 WeakPolarHBondContact O-CB 2.7Å; K998-Q1002 WeakPolarHBondContact O-CG 3.42Å; K998-Q1002 PolarHBondContact O-N 2.86Å; D999-Q1002 CarbonylContact O-C 3.34Å; D999-Q1002 VanDerWaalsContact O-C 3.3Å; Q1002-D1005 CarbonylContact O-C 3.2Å; Q1002-D1005 VanDerWaalsContact O-C 3.25Å; Q1002-R1006 WeakPolarHBondContact O-CA 2.73Å; Q1002-R1006 WeakPolarHBondContact O-CB 3.04Å; Q1002-R1006 PolarHBondContact O-N 2.94Å |
| 1003 | L | 55.7 | Low | 58.6 | Low | 91 Ų | 91 | 86.8 Ų | 86.8 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -86.5 | 0 | 171.6 | -83.7 | 163.1 | 0 | 0 | 0 | 109.8 | D999 K1000 R1006 I1007 | D999-L1003 HydrophobicContact CB-CD1 3.98Å; D999-L1003 CarbonylContact O-C 3.39Å; D999-L1003 WeakPolarHBondContact O-CA 2.42Å; D999-L1003 WeakPolarHBondContact O-CB 2.8Å; D999-L1003 WeakPolarHBondContact O-CD1 3.04Å; D999-L1003 WeakPolarHBondContact O-CG 2.39Å; D999-L1003 PolarHBondContact O-N 3.41Å; K1000-L1003 CarbonylContact O-C 3.18Å; K1000-L1003 VanDerWaalsContact O-C 3.22Å; L1003-R1006 CarbonylContact O-C 3.59Å; L1003-R1006 PolarHBondContact O-N 3.35Å; L1003-I1007 VanDerWaalsContact C-CA 3.45Å; L1003-I1007 HydrophobicContact CB-CD1 3.77Å; L1003-I1007 HydrophobicContact CB-CG1 3.97Å; L1003-I1007 HydrophobicContact CD2-CG1 4.47Å; L1003-I1007 CarbonylContact O-C 3.15Å; L1003-I1007 WeakPolarHBondContact O-CA 3.3Å; L1003-I1007 WeakPolarHBondContact O-CB 2.41Å; L1003-I1007 WeakPolarHBondContact O-CD1 3.39Å; L1003-I1007 WeakPolarHBondContact O-CG1 2.71Å; L1003-I1007 WeakPolarHBondContact O-CG2 3.25Å; L1003-I1007 CovalentContact O-N 1.79Å; L1003-I1007 PolarHBondContact O-N 3.3Å |
| 1004 | T | 57.7 | Low | 58.7 | Low | 31 Ų | 31 | 85.4 Ų | 85.4 | 19% | 0.19 | 42% | 0.418 | C | S | . | . | H | α-helix | 0 | -34.1 | 0 | -32.1 | 0 | 0 | 0 | 0 | 109.7 | D999 K1000 K1001 I1007 D1008 | D999-T1004 PolarHBondContact O-N 3.37Å; K1000-T1004 WeakPolarHBondContact CA-OG1 3.18Å; K1000-T1004 WeakPolarHBondContact CB-OG1 3.23Å; K1000-T1004 HydrophobicContact CG-CG2 4.3Å; K1000-T1004 WeakPolarHBondContact CG-OG1 2.96Å; K1000-T1004 CarbonylContact O-C 3.2Å; K1000-T1004 WeakPolarHBondContact O-CA 3.11Å; K1000-T1004 WeakPolarHBondContact O-CB 3.45Å; K1000-T1004 WeakPolarHBondContact O-CG2 2.83Å; K1000-T1004 PolarHBondContact O-N 2.86Å; K1000-T1004 CovalentContact O-OG1 0.94Å; K1000-T1004 PolarHBondContact O-OG1 3.32Å; K1001-T1004 VanDerWaalsContact CA-OG1 3.31Å; K1001-T1004 WeakPolarHBondContact CA-OG1 3.29Å; K1001-T1004 PolarHBondContact N-OG1 3.46Å; K1001-T1004 CarbonylContact O-C 3.22Å; T1004-I1007 CarbonylContact O-C 3.45Å; T1004-D1008 WeakPolarHBondContact CB-OD2 2.81Å; T1004-D1008 VanDerWaalsContact CG2-OD1 3.29Å; T1004-D1008 WeakPolarHBondContact CG2-OD1 2.69Å; T1004-D1008 WeakPolarHBondContact CG2-OD2 2.78Å; T1004-D1008 CarbonylContact O-C 3.5Å; T1004-D1008 VanDerWaalsContact O-C 3.31Å; T1004-D1008 WeakPolarHBondContact O-CA 2.69Å; T1004-D1008 WeakPolarHBondContact O-CB 2.98Å; T1004-D1008 CovalentContact O-N 1.76Å; T1004-D1008 PolarHBondContact O-N 2.98Å | |
| 1005 | D | 60.7 | Low | 58.6 | Low | 72 Ų | 72 | 83.8 Ų | 83.8 | 39% | 0.385 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -76.4 | -35.1 | 168.4 | -74.6 | -15.7 | 0 | 0 | 0 | 110.8 | K1000 K1001 Q1002 D1008 L1009 | K1000-D1005 PolarHBondContact O-N 2.81Å; K1001-D1005 VanDerWaalsContact CG-CG 3.48Å; K1001-D1005 WeakPolarHBondContact CG-OD1 1.7Å; K1001-D1005 WeakPolarHBondContact CG-OD2 3.32Å; K1001-D1005 CarbonylContact O-C 3.09Å; K1001-D1005 WeakPolarHBondContact O-CA 3.22Å; K1001-D1005 WeakPolarHBondContact O-CB 3.32Å; K1001-D1005 PolarHBondContact O-N 3.37Å; Q1002-D1005 CarbonylContact O-C 3.2Å; Q1002-D1005 VanDerWaalsContact O-C 3.25Å; D1005-D1008 CarbonylContact O-C 2.98Å; D1005-L1009 CarbonylContact O-C 3.2Å; D1005-L1009 WeakPolarHBondContact O-CA 3.2Å; D1005-L1009 WeakPolarHBondContact O-CB 3.15Å; D1005-L1009 PolarHBondContact O-N 3.03Å |
| 1006 | R | 59.3 | Low | 58.5 | Low | 163 Ų | 163 | 79.9 Ų | 79.9 | 62% | 0.615 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -80.3 | 0 | 171.8 | -158.7 | 127.6 | 168 | 149.8 | -0.5 | 109.8 | Q1002 L1003 L1009 L1010 | Q1002-R1006 WeakPolarHBondContact O-CA 2.73Å; Q1002-R1006 WeakPolarHBondContact O-CB 3.04Å; Q1002-R1006 PolarHBondContact O-N 2.94Å; L1003-R1006 CarbonylContact O-C 3.59Å; L1003-R1006 PolarHBondContact O-N 3.35Å; R1006-L1009 CarbonylContact O-C 3.24Å; R1006-L1010 HydrophobicContact CB-CD1 4.17Å; R1006-L1010 HydrophobicContact CB-CG 4.47Å; R1006-L1010 HydrophobicContact CG-CD1 3.33Å; R1006-L1010 HydrophobicContact CG-CG 3.7Å; R1006-L1010 CarbonylContact O-C 3.53Å; R1006-L1010 WeakPolarHBondContact O-CA 3.24Å; R1006-L1010 WeakPolarHBondContact O-CB 2.43Å; R1006-L1010 VanDerWaalsContact O-CD1 3.26Å; R1006-L1010 WeakPolarHBondContact O-CD1 2.63Å; R1006-L1010 WeakPolarHBondContact O-CG 3.16Å; R1006-L1010 CovalentContact O-N 1.79Å; R1006-L1010 PolarHBondContact O-N 3.33Å |
| 1007 | I | 59.2 | Low | 58.5 | Low | 80 Ų | 80 | 78.8 Ų | 78.8 | 41% | 0.41 | 39% | 0.389 | S | S | . | . | H | α-helix | 0 | -36.3 | 0 | -73.9 | 176 | 0 | 0 | 0 | 108 | L1003 T1004 L1010 T1011 S1012 | L1003-I1007 VanDerWaalsContact C-CA 3.45Å; L1003-I1007 HydrophobicContact CB-CD1 3.77Å; L1003-I1007 HydrophobicContact CB-CG1 3.97Å; L1003-I1007 HydrophobicContact CD2-CG1 4.47Å; L1003-I1007 CarbonylContact O-C 3.15Å; L1003-I1007 WeakPolarHBondContact O-CA 3.3Å; L1003-I1007 WeakPolarHBondContact O-CB 2.41Å; L1003-I1007 WeakPolarHBondContact O-CD1 3.39Å; L1003-I1007 WeakPolarHBondContact O-CG1 2.71Å; L1003-I1007 WeakPolarHBondContact O-CG2 3.25Å; L1003-I1007 CovalentContact O-N 1.79Å; L1003-I1007 PolarHBondContact O-N 3.3Å; T1004-I1007 CarbonylContact O-C 3.45Å; I1007-L1010 CarbonylContact O-C 3.02Å; I1007-L1010 PolarHBondContact O-N 2.91Å; I1007-T1011 WeakPolarHBondContact CA-OG1 3.19Å; I1007-T1011 WeakPolarHBondContact CB-OG1 2.26Å; I1007-T1011 HydrophobicContact CG2-CG2 4.14Å; I1007-T1011 WeakPolarHBondContact CG2-OG1 3.2Å; I1007-T1011 CarbonylContact O-C 3.42Å; I1007-T1011 WeakPolarHBondContact O-CA 3.45Å; I1007-T1011 WeakPolarHBondContact O-CB 2.55Å; I1007-T1011 VanDerWaalsContact O-CG2 3.3Å; I1007-T1011 WeakPolarHBondContact O-CG2 3.08Å; I1007-T1011 PolarHBondContact O-N 3.26Å; I1007-T1011 CovalentContact O-OG1 1.47Å; I1007-T1011 PolarHBondContact O-OG1 2.95Å; I1007-S1012 PolarHBondContact O-N 2.95Å; I1007-S1012 VanDerWaalsContact O-N 3.12Å | |
| 1008 | D | 60.1 | Low | 58.5 | Low | 67 Ų | 67 | 79.9 Ų | 79.9 | 36% | 0.358 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.5 | -38.1 | 167.4 | -73.6 | -19.1 | 0 | 0 | 0 | 111 | T1004 D1005 T1011 S1012 | T1004-D1008 WeakPolarHBondContact CB-OD2 2.81Å; T1004-D1008 VanDerWaalsContact CG2-OD1 3.29Å; T1004-D1008 WeakPolarHBondContact CG2-OD1 2.69Å; T1004-D1008 WeakPolarHBondContact CG2-OD2 2.78Å; T1004-D1008 CarbonylContact O-C 3.5Å; T1004-D1008 VanDerWaalsContact O-C 3.31Å; T1004-D1008 WeakPolarHBondContact O-CA 2.69Å; T1004-D1008 WeakPolarHBondContact O-CB 2.98Å; T1004-D1008 CovalentContact O-N 1.76Å; T1004-D1008 PolarHBondContact O-N 2.98Å; D1005-D1008 CarbonylContact O-C 2.98Å; D1008-T1011 PolarHBondContact N-OG1 3.39Å; D1008-T1011 VanDerWaalsContact N-OG1 3.12Å; D1008-T1011 CarbonylContact O-C 3.29Å; D1008-T1011 VanDerWaalsContact O-C 3.24Å; D1008-S1012 VanDerWaalsContact CA-N 3.32Å; D1008-S1012 CarbonylContact O-C 3.21Å; D1008-S1012 WeakPolarHBondContact O-CA 3.28Å; D1008-S1012 CovalentContact O-CB 1.56Å; D1008-S1012 WeakPolarHBondContact O-CB 3.18Å; D1008-S1012 PolarHBondContact O-N 2.9Å; D1008-S1012 PolarHBondContact O-OG 3Å |
| 1009 | L | 62.1 | Low | 58.4 | Low | 81 Ų | 81 | 77.1 Ų | 77.1 | 42% | 0.424 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -76.4 | 0 | 169.9 | -169.6 | 75.5 | 0 | 0 | 0 | 109.9 | D1005 R1006 S1012 Q1013 | D1005-L1009 CarbonylContact O-C 3.2Å; D1005-L1009 WeakPolarHBondContact O-CA 3.2Å; D1005-L1009 WeakPolarHBondContact O-CB 3.15Å; D1005-L1009 PolarHBondContact O-N 3.03Å; R1006-L1009 CarbonylContact O-C 3.24Å; L1009-S1012 VanDerWaalsContact CA-CB 3.46Å; L1009-S1012 CarbonylContact O-C 3.35Å; L1009-Q1013 HydrophobicContact CB-CG 4.41Å; L1009-Q1013 HydrophobicContact CD1-CG 4.15Å; L1009-Q1013 HydrophobicContact CG-CG 3.65Å; L1009-Q1013 VanDerWaalsContact CG-NE2 3.3Å; L1009-Q1013 CarbonylContact O-C 3.49Å; L1009-Q1013 WeakPolarHBondContact O-CA 3.19Å; L1009-Q1013 WeakPolarHBondContact O-CB 3.49Å; L1009-Q1013 WeakPolarHBondContact O-CG 3.15Å; L1009-Q1013 PolarHBondContact O-N 2.81Å |
| 1010 | L | 58.4 | Low | 58.3 | Low | 79 Ų | 79 | 78.9 Ų | 78.9 | 41% | 0.414 | 38% | 0.382 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -79.6 | 168.5 | 0 | 0 | 0 | 109.6 | R1006 I1007 Q1013 L1014 A1015 | R1006-L1010 HydrophobicContact CB-CD1 4.17Å; R1006-L1010 HydrophobicContact CB-CG 4.47Å; R1006-L1010 HydrophobicContact CG-CD1 3.33Å; R1006-L1010 HydrophobicContact CG-CG 3.7Å; R1006-L1010 CarbonylContact O-C 3.53Å; R1006-L1010 WeakPolarHBondContact O-CA 3.24Å; R1006-L1010 WeakPolarHBondContact O-CB 2.43Å; R1006-L1010 VanDerWaalsContact O-CD1 3.26Å; R1006-L1010 WeakPolarHBondContact O-CD1 2.63Å; R1006-L1010 WeakPolarHBondContact O-CG 3.16Å; R1006-L1010 CovalentContact O-N 1.79Å; R1006-L1010 PolarHBondContact O-N 3.33Å; I1007-L1010 CarbonylContact O-C 3.02Å; I1007-L1010 PolarHBondContact O-N 2.91Å; L1010-Q1013 CarbonylContact O-C 3.11Å; L1010-L1014 CarbonylContact O-C 3.48Å; L1010-L1014 VanDerWaalsContact O-C 3.27Å; L1010-L1014 WeakPolarHBondContact O-CA 2.84Å; L1010-L1014 WeakPolarHBondContact O-CB 3.03Å; L1010-L1014 VanDerWaalsContact O-CG 3.28Å; L1010-L1014 WeakPolarHBondContact O-CG 2.74Å; L1010-L1014 CovalentContact O-N 1.72Å; L1010-L1014 PolarHBondContact O-N 3.18Å; L1010-A1015 PolarHBondContact O-N 3.37Å | |
| 1011 | T | 62.1 | Low | 58.4 | Low | 37 Ų | 37 | 76 Ų | 76 | 23% | 0.227 | 38% | 0.375 | C | S | . | . | H | α-helix | 0 | -34.2 | 0 | -36.7 | 0 | 0 | 0 | 0 | 109.3 | I1007 D1008 L1014 A1015 E1016 | I1007-T1011 WeakPolarHBondContact CA-OG1 3.19Å; I1007-T1011 WeakPolarHBondContact CB-OG1 2.26Å; I1007-T1011 HydrophobicContact CG2-CG2 4.14Å; I1007-T1011 WeakPolarHBondContact CG2-OG1 3.2Å; I1007-T1011 CarbonylContact O-C 3.42Å; I1007-T1011 WeakPolarHBondContact O-CA 3.45Å; I1007-T1011 WeakPolarHBondContact O-CB 2.55Å; I1007-T1011 VanDerWaalsContact O-CG2 3.3Å; I1007-T1011 WeakPolarHBondContact O-CG2 3.08Å; I1007-T1011 PolarHBondContact O-N 3.26Å; I1007-T1011 CovalentContact O-OG1 1.47Å; I1007-T1011 PolarHBondContact O-OG1 2.95Å; D1008-T1011 PolarHBondContact N-OG1 3.39Å; D1008-T1011 VanDerWaalsContact N-OG1 3.12Å; D1008-T1011 CarbonylContact O-C 3.29Å; D1008-T1011 VanDerWaalsContact O-C 3.24Å; T1011-L1014 VanDerWaalsContact CA-CB 3.49Å; T1011-L1014 CarbonylContact O-C 3.31Å; T1011-A1015 HydrophobicContact CG2-CB 4.1Å; T1011-A1015 CarbonylContact O-C 3.31Å; T1011-A1015 WeakPolarHBondContact O-CA 3.26Å; T1011-A1015 CovalentContact O-CB 1.57Å; T1011-A1015 WeakPolarHBondContact O-CB 3.11Å; T1011-A1015 PolarHBondContact O-N 2.95Å; T1011-E1016 PolarHBondContact O-N 2.88Å | |
| 1012 | S | 59.8 | Low | 58.4 | Low | 42 Ų | 42 | 75.8 Ų | 75.8 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -78.8 | -33.3 | 167.2 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | I1007 D1008 L1009 A1015 E1016 | I1007-S1012 PolarHBondContact O-N 2.95Å; I1007-S1012 VanDerWaalsContact O-N 3.12Å; D1008-S1012 VanDerWaalsContact CA-N 3.32Å; D1008-S1012 CarbonylContact O-C 3.21Å; D1008-S1012 WeakPolarHBondContact O-CA 3.28Å; D1008-S1012 CovalentContact O-CB 1.56Å; D1008-S1012 WeakPolarHBondContact O-CB 3.18Å; D1008-S1012 PolarHBondContact O-N 2.9Å; D1008-S1012 PolarHBondContact O-OG 3Å; L1009-S1012 VanDerWaalsContact CA-CB 3.46Å; L1009-S1012 CarbonylContact O-C 3.35Å; S1012-A1015 VanDerWaalsContact CA-CB 3.5Å; S1012-A1015 CarbonylContact O-C 3.27Å; S1012-E1016 CarbonylContact O-C 3.12Å; S1012-E1016 WeakPolarHBondContact O-CA 2.33Å; S1012-E1016 CovalentContact O-CB 1.79Å; S1012-E1016 WeakPolarHBondContact O-CB 2.53Å; S1012-E1016 WeakPolarHBondContact O-CG 3.23Å; S1012-E1016 PolarHBondContact O-N 3.28Å |
| 1013 | Q | 60.4 | Low | 58.2 | Low | 74 Ų | 74 | 73.7 Ų | 73.7 | 35% | 0.346 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -81.8 | -31.1 | 166.8 | -76.3 | -179.2 | -7.7 | 0 | 0 | 109.7 | L1009 L1010 E1016 E1017 | L1009-Q1013 HydrophobicContact CB-CG 4.41Å; L1009-Q1013 HydrophobicContact CD1-CG 4.15Å; L1009-Q1013 HydrophobicContact CG-CG 3.65Å; L1009-Q1013 VanDerWaalsContact CG-NE2 3.3Å; L1009-Q1013 CarbonylContact O-C 3.49Å; L1009-Q1013 WeakPolarHBondContact O-CA 3.19Å; L1009-Q1013 WeakPolarHBondContact O-CB 3.49Å; L1009-Q1013 WeakPolarHBondContact O-CG 3.15Å; L1009-Q1013 PolarHBondContact O-N 2.81Å; L1010-Q1013 CarbonylContact O-C 3.11Å; Q1013-E1016 VanDerWaalsContact CA-CB 3.5Å; Q1013-E1016 CarbonylContact O-C 3.11Å; Q1013-E1017 CarbonylContact O-C 3.25Å; Q1013-E1017 VanDerWaalsContact O-C 3.26Å; Q1013-E1017 WeakPolarHBondContact O-CA 2.16Å; Q1013-E1017 WeakPolarHBondContact O-CB 2.12Å; Q1013-E1017 WeakPolarHBondContact O-CG 2.49Å; Q1013-E1017 CovalentContact O-N 1.72Å; Q1013-E1017 PolarHBondContact O-N 3.3Å |
| 1014 | L | 58 | Low | 58.1 | Low | 75 Ų | 75 | 72.6 Ų | 72.6 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 0 | 172.7 | -165.5 | 78.8 | 0 | 0 | 0 | 109.2 | L1010 T1011 E1017 E1018 E1019 | L1010-L1014 CarbonylContact O-C 3.48Å; L1010-L1014 VanDerWaalsContact O-C 3.27Å; L1010-L1014 WeakPolarHBondContact O-CA 2.84Å; L1010-L1014 WeakPolarHBondContact O-CB 3.03Å; L1010-L1014 VanDerWaalsContact O-CG 3.28Å; L1010-L1014 WeakPolarHBondContact O-CG 2.74Å; L1010-L1014 CovalentContact O-N 1.72Å; L1010-L1014 PolarHBondContact O-N 3.18Å; T1011-L1014 VanDerWaalsContact CA-CB 3.49Å; T1011-L1014 CarbonylContact O-C 3.31Å; L1014-E1017 VanDerWaalsContact C-C 3.44Å; L1014-E1017 CarbonylContact O-C 3.51Å; L1014-E1018 HydrophobicContact CB-CB 4.13Å; L1014-E1018 HydrophobicContact CB-CG 3.9Å; L1014-E1018 HydrophobicContact CD1-CG 3.86Å; L1014-E1018 HydrophobicContact CD2-CG 3.75Å; L1014-E1018 WeakPolarHBondContact CD2-OE1 3.31Å; L1014-E1018 VanDerWaalsContact CD2-OE2 3.31Å; L1014-E1018 WeakPolarHBondContact CD2-OE2 2.54Å; L1014-E1018 HydrophobicContact CG-CB 3.82Å; L1014-E1018 HydrophobicContact CG-CG 3.03Å; L1014-E1018 WeakPolarHBondContact CG-OE1 3.4Å; L1014-E1018 WeakPolarHBondContact CG-OE2 2.24Å; L1014-E1018 CarbonylContact O-C 3.28Å; L1014-E1018 WeakPolarHBondContact O-CA 3.3Å; L1014-E1018 WeakPolarHBondContact O-CB 2.29Å; L1014-E1018 WeakPolarHBondContact O-CG 2.91Å; L1014-E1018 CovalentContact O-N 1.32Å; L1014-E1018 PolarHBondContact O-N 3.08Å; L1014-E1019 PolarHBondContact O-N 3.37Å |
| 1015 | A | 57.8 | Low | 58 | Low | 25 Ų | 25 | 73.4 Ų | 73.4 | 21% | 0.207 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | -35.4 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1010 T1011 S1012 E1018 E1019 R1020 | L1010-A1015 PolarHBondContact O-N 3.37Å; T1011-A1015 HydrophobicContact CG2-CB 4.1Å; T1011-A1015 CarbonylContact O-C 3.31Å; T1011-A1015 WeakPolarHBondContact O-CA 3.26Å; T1011-A1015 CovalentContact O-CB 1.57Å; T1011-A1015 WeakPolarHBondContact O-CB 3.11Å; T1011-A1015 PolarHBondContact O-N 2.95Å; S1012-A1015 VanDerWaalsContact CA-CB 3.5Å; S1012-A1015 CarbonylContact O-C 3.27Å; A1015-E1018 VanDerWaalsContact CA-CB 3.44Å; A1015-E1018 CarbonylContact O-C 3.41Å; A1015-E1019 HydrophobicContact CB-CB 4.17Å; A1015-E1019 HydrophobicContact CB-CG 3.92Å; A1015-E1019 CarbonylContact O-C 3.53Å; A1015-E1019 WeakPolarHBondContact O-CA 2.87Å; A1015-E1019 CovalentContact O-CB 1.43Å; A1015-E1019 WeakPolarHBondContact O-CB 2.94Å; A1015-E1019 WeakPolarHBondContact O-CG 2.38Å; A1015-E1019 PolarHBondContact O-N 3.33Å; A1015-R1020 PolarHBondContact O-N 2.44Å | |
| 1016 | E | 58.2 | Low | 57.8 | Low | 67 Ų | 67 | 75.5 Ų | 75.5 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -77.3 | 0 | 164.8 | -101.4 | 178.8 | -180 | 0 | 0 | 110.9 | T1011 S1012 Q1013 E1019 R1020 S1021 | T1011-E1016 PolarHBondContact O-N 2.88Å; S1012-E1016 CarbonylContact O-C 3.12Å; S1012-E1016 WeakPolarHBondContact O-CA 2.33Å; S1012-E1016 CovalentContact O-CB 1.79Å; S1012-E1016 WeakPolarHBondContact O-CB 2.53Å; S1012-E1016 WeakPolarHBondContact O-CG 3.23Å; S1012-E1016 PolarHBondContact O-N 3.28Å; Q1013-E1016 VanDerWaalsContact CA-CB 3.5Å; Q1013-E1016 CarbonylContact O-C 3.11Å; E1016-E1019 CarbonylContact O-C 3.51Å; E1016-R1020 HydrophobicContact CB-CB 4.44Å; E1016-R1020 HydrophobicContact CB-CG 4.01Å; E1016-R1020 CarbonylContact O-C 3.47Å; E1016-R1020 WeakPolarHBondContact O-CA 2.98Å; E1016-R1020 CovalentContact O-CB 1.49Å; E1016-R1020 WeakPolarHBondContact O-CB 3.41Å; E1016-R1020 WeakPolarHBondContact O-CD 2.74Å; E1016-R1020 WeakPolarHBondContact O-CG 2.55Å; E1016-R1020 PolarHBondContact O-N 3.35Å; E1016-R1020 IonicContact OE2-CZ 2.98Å; E1016-R1020 IonicContact OE2-NH1 3.55Å; E1016-R1020 IonicContact OE2-NH2 3.95Å; E1016-S1021 PolarHBondContact O-N 3.1Å |
| 1017 | E | 55.9 | Low | 57.6 | Low | 88 Ų | 88 | 69.8 Ų | 69.8 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | S | Bend | 0 | 0 | 0 | -147.9 | 63.6 | -169.1 | 0 | 0 | 109.5 | Q1013 L1014 R1020 S1021 K1022 | Q1013-E1017 CarbonylContact O-C 3.25Å; Q1013-E1017 VanDerWaalsContact O-C 3.26Å; Q1013-E1017 WeakPolarHBondContact O-CA 2.16Å; Q1013-E1017 WeakPolarHBondContact O-CB 2.12Å; Q1013-E1017 WeakPolarHBondContact O-CG 2.49Å; Q1013-E1017 CovalentContact O-N 1.72Å; Q1013-E1017 PolarHBondContact O-N 3.3Å; L1014-E1017 VanDerWaalsContact C-C 3.44Å; L1014-E1017 CarbonylContact O-C 3.51Å; E1017-R1020 VanDerWaalsContact C-C 3.41Å; E1017-R1020 HydrophobicContact CB-CB 4.47Å; E1017-R1020 CarbonylContact O-C 3.58Å; E1017-S1021 CarbonylContact O-C 3.59Å; E1017-S1021 WeakPolarHBondContact O-CA 3.07Å; E1017-S1021 WeakPolarHBondContact O-CB 3.15Å; E1017-S1021 CovalentContact O-N 1.5Å; E1017-S1021 PolarHBondContact O-N 3.33Å; E1017-S1021 PolarHBondContact O-OG 3.2Å; E1017-K1022 PolarHBondContact O-N 2.91Å | |
| 1018 | E | 58.3 | Low | 57.5 | Low | 57 Ų | 57 | 70.9 Ų | 70.9 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | S | Bend | 0 | 0 | 0 | -95.1 | 179.2 | 174.8 | 0 | 0 | 109 | L1014 A1015 S1021 K1022 Q1023 | L1014-E1018 HydrophobicContact CB-CB 4.13Å; L1014-E1018 HydrophobicContact CB-CG 3.9Å; L1014-E1018 HydrophobicContact CD1-CG 3.86Å; L1014-E1018 HydrophobicContact CD2-CG 3.75Å; L1014-E1018 WeakPolarHBondContact CD2-OE1 3.31Å; L1014-E1018 VanDerWaalsContact CD2-OE2 3.31Å; L1014-E1018 WeakPolarHBondContact CD2-OE2 2.54Å; L1014-E1018 HydrophobicContact CG-CB 3.82Å; L1014-E1018 HydrophobicContact CG-CG 3.03Å; L1014-E1018 WeakPolarHBondContact CG-OE1 3.4Å; L1014-E1018 WeakPolarHBondContact CG-OE2 2.24Å; L1014-E1018 CarbonylContact O-C 3.28Å; L1014-E1018 WeakPolarHBondContact O-CA 3.3Å; L1014-E1018 WeakPolarHBondContact O-CB 2.29Å; L1014-E1018 WeakPolarHBondContact O-CG 2.91Å; L1014-E1018 CovalentContact O-N 1.32Å; L1014-E1018 PolarHBondContact O-N 3.08Å; A1015-E1018 VanDerWaalsContact CA-CB 3.44Å; A1015-E1018 CarbonylContact O-C 3.41Å; E1018-S1021 VanDerWaalsContact C-C 3.41Å; E1018-S1021 VanDerWaalsContact N-CB 3.27Å; E1018-S1021 VanDerWaalsContact N-N 3.18Å; E1018-S1021 CarbonylContact O-C 3.58Å; E1018-K1022 HydrophobicContact CB-CB 4.32Å; E1018-K1022 HydrophobicContact CB-CD 4.08Å; E1018-K1022 HydrophobicContact CB-CG 3.89Å; E1018-K1022 CarbonylContact O-C 3.22Å; E1018-K1022 WeakPolarHBondContact O-CA 2.53Å; E1018-K1022 WeakPolarHBondContact O-CB 3.45Å; E1018-K1022 WeakPolarHBondContact O-CD 3.29Å; E1018-K1022 WeakPolarHBondContact O-CG 3.31Å; E1018-K1022 CovalentContact O-N 1.39Å; E1018-K1022 PolarHBondContact O-N 2.83Å; E1018-Q1023 PolarHBondContact O-N 3.32Å; E1018-Q1023 VanDerWaalsContact O-N 3.14Å | |
| 1019 | E | 56.5 | Low | 57.4 | Low | 78 Ų | 78 | 69.8 Ų | 69.8 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | S | Bend | 0 | 0 | 0 | -89.7 | -128.8 | 163.5 | 0 | 0 | 111.3 | L1014 A1015 E1016 K1022 Q1023 L1024 | L1014-E1019 PolarHBondContact O-N 3.37Å; A1015-E1019 HydrophobicContact CB-CB 4.17Å; A1015-E1019 HydrophobicContact CB-CG 3.92Å; A1015-E1019 CarbonylContact O-C 3.53Å; A1015-E1019 WeakPolarHBondContact O-CA 2.87Å; A1015-E1019 CovalentContact O-CB 1.43Å; A1015-E1019 WeakPolarHBondContact O-CB 2.94Å; A1015-E1019 WeakPolarHBondContact O-CG 2.38Å; A1015-E1019 PolarHBondContact O-N 3.33Å; E1016-E1019 CarbonylContact O-C 3.51Å; E1019-K1022 CarbonylContact O-C 3.55Å; E1019-Q1023 HydrophobicContact CB-CB 4.06Å; E1019-Q1023 HydrophobicContact CB-CG 3.88Å; E1019-Q1023 HydrophobicContact CG-CG 4.49Å; E1019-Q1023 CarbonylContact O-C 3.56Å; E1019-Q1023 WeakPolarHBondContact O-CA 2.5Å; E1019-Q1023 CovalentContact O-CB 1.38Å; E1019-Q1023 WeakPolarHBondContact O-CB 3.43Å; E1019-Q1023 VanDerWaalsContact O-CD 3.31Å; E1019-Q1023 WeakPolarHBondContact O-CG 2.77Å; E1019-Q1023 PolarHBondContact O-N 2.88Å; E1019-Q1023 PolarHBondContact O-OE1 3.34Å; E1019-Q1023 PolarHBondContact OE2-NE2 3.25Å; E1019-L1024 PolarHBondContact O-N 2.96Å | |
| 1020 | R | 55 | Low | 57.3 | Low | 112 Ų | 112 | 72 Ų | 72 | 42% | 0.423 | 36% | 0.356 | S | S | . | . | S | Bend | 0 | 0 | 0 | -89.6 | -176.4 | -166.7 | 144.7 | -0.5 | 110.1 | A1015 E1016 E1017 Q1023 L1024 T1025 | A1015-R1020 PolarHBondContact O-N 2.44Å; E1016-R1020 HydrophobicContact CB-CB 4.44Å; E1016-R1020 HydrophobicContact CB-CG 4.01Å; E1016-R1020 CarbonylContact O-C 3.47Å; E1016-R1020 WeakPolarHBondContact O-CA 2.98Å; E1016-R1020 CovalentContact O-CB 1.49Å; E1016-R1020 WeakPolarHBondContact O-CB 3.41Å; E1016-R1020 WeakPolarHBondContact O-CD 2.74Å; E1016-R1020 WeakPolarHBondContact O-CG 2.55Å; E1016-R1020 PolarHBondContact O-N 3.35Å; E1016-R1020 IonicContact OE2-CZ 2.98Å; E1016-R1020 IonicContact OE2-NH1 3.55Å; E1016-R1020 IonicContact OE2-NH2 3.95Å; E1017-R1020 VanDerWaalsContact C-C 3.41Å; E1017-R1020 HydrophobicContact CB-CB 4.47Å; E1017-R1020 CarbonylContact O-C 3.58Å; R1020-Q1023 CarbonylContact O-C 3.57Å; R1020-L1024 HydrophobicContact CB-CB 4.17Å; R1020-L1024 HydrophobicContact CB-CD1 3.3Å; R1020-L1024 HydrophobicContact CB-CG 3.96Å; R1020-L1024 HydrophobicContact CG-CD1 4.15Å; R1020-L1024 CarbonylContact O-C 3.27Å; R1020-L1024 WeakPolarHBondContact O-CA 3.32Å; R1020-L1024 CovalentContact O-CB 1.35Å; R1020-L1024 WeakPolarHBondContact O-CB 2.75Å; R1020-L1024 WeakPolarHBondContact O-CD1 2.67Å; R1020-L1024 WeakPolarHBondContact O-CG 2.4Å; R1020-L1024 PolarHBondContact O-N 2.8Å; R1020-T1025 PolarHBondContact O-N 3.24Å | |
| 1021 | S | 55.5 | Low | 57.3 | Low | 44 Ų | 44 | 73.3 Ų | 73.3 | 31% | 0.308 | 36% | 0.356 | S | S | . | . | S | Bend | 0 | 0 | 0 | 172.8 | 0 | 0 | 0 | 0 | 109.3 | E1016 E1017 E1018 L1024 T1025 K1026 | E1016-S1021 PolarHBondContact O-N 3.1Å; E1017-S1021 CarbonylContact O-C 3.59Å; E1017-S1021 WeakPolarHBondContact O-CA 3.07Å; E1017-S1021 WeakPolarHBondContact O-CB 3.15Å; E1017-S1021 CovalentContact O-N 1.5Å; E1017-S1021 PolarHBondContact O-N 3.33Å; E1017-S1021 PolarHBondContact O-OG 3.2Å; E1018-S1021 VanDerWaalsContact C-C 3.41Å; E1018-S1021 VanDerWaalsContact N-CB 3.27Å; E1018-S1021 VanDerWaalsContact N-N 3.18Å; E1018-S1021 CarbonylContact O-C 3.58Å; S1021-L1024 VanDerWaalsContact C-C 3.48Å; S1021-L1024 CarbonylContact O-C 3.14Å; S1021-T1025 WeakPolarHBondContact CA-OG1 2.64Å; S1021-T1025 VanDerWaalsContact CB-OG1 3.23Å; S1021-T1025 WeakPolarHBondContact CB-OG1 3.4Å; S1021-T1025 CarbonylContact O-C 3.31Å; S1021-T1025 WeakPolarHBondContact O-CA 2.5Å; S1021-T1025 WeakPolarHBondContact O-CB 2.41Å; S1021-T1025 WeakPolarHBondContact O-CG2 2.86Å; S1021-T1025 PolarHBondContact O-N 2.74Å; S1021-T1025 CovalentContact O-OG1 1.34Å; S1021-T1025 PolarHBondContact O-OG1 2.89Å; S1021-T1025 PolarHBondContact OG-OG1 2.98Å; S1021-K1026 PolarHBondContact O-N 2.28Å | |
| 1022 | K | 56.4 | Low | 57.2 | Low | 107 Ų | 107 | 74.7 Ų | 74.7 | 47% | 0.465 | 36% | 0.36 | S | S | . | . | S | Bend | 0 | 0 | 0 | -81.8 | -178 | -175.5 | 178.4 | 0 | 109 | E1017 E1018 E1019 T1025 K1026 L1027 | E1017-K1022 PolarHBondContact O-N 2.91Å; E1018-K1022 HydrophobicContact CB-CB 4.32Å; E1018-K1022 HydrophobicContact CB-CD 4.08Å; E1018-K1022 HydrophobicContact CB-CG 3.89Å; E1018-K1022 CarbonylContact O-C 3.22Å; E1018-K1022 WeakPolarHBondContact O-CA 2.53Å; E1018-K1022 WeakPolarHBondContact O-CB 3.45Å; E1018-K1022 WeakPolarHBondContact O-CD 3.29Å; E1018-K1022 WeakPolarHBondContact O-CG 3.31Å; E1018-K1022 CovalentContact O-N 1.39Å; E1018-K1022 PolarHBondContact O-N 2.83Å; E1019-K1022 CarbonylContact O-C 3.55Å; K1022-T1025 PolarHBondContact N-OG1 2.35Å; K1022-T1025 CarbonylContact O-C 3.22Å; K1022-K1026 HydrophobicContact CB-CB 4.44Å; K1022-K1026 HydrophobicContact CB-CD 4.3Å; K1022-K1026 HydrophobicContact CB-CG 4.13Å; K1022-K1026 CarbonylContact O-C 3.15Å; K1022-K1026 WeakPolarHBondContact O-CA 2.87Å; K1022-K1026 WeakPolarHBondContact O-CB 3.34Å; K1022-K1026 WeakPolarHBondContact O-CD 3.18Å; K1022-K1026 WeakPolarHBondContact O-CG 2.11Å; K1022-K1026 CovalentContact O-N 1.53Å; K1022-K1026 PolarHBondContact O-N 3.2Å; K1022-L1027 PolarHBondContact O-N 3.32Å | |
| 1023 | Q | 55 | Low | 57.2 | Low | 77 Ų | 77 | 74.6 Ų | 74.6 | 36% | 0.36 | 36% | 0.36 | S | S | . | . | S | Bend | 0 | 0 | 0 | -91.5 | 176.5 | 3.6 | 0 | 0 | 111.2 | E1018 E1019 R1020 K1026 L1027 K1028 | E1018-Q1023 PolarHBondContact O-N 3.32Å; E1018-Q1023 VanDerWaalsContact O-N 3.14Å; E1019-Q1023 HydrophobicContact CB-CB 4.06Å; E1019-Q1023 HydrophobicContact CB-CG 3.88Å; E1019-Q1023 HydrophobicContact CG-CG 4.49Å; E1019-Q1023 CarbonylContact O-C 3.56Å; E1019-Q1023 WeakPolarHBondContact O-CA 2.5Å; E1019-Q1023 CovalentContact O-CB 1.38Å; E1019-Q1023 WeakPolarHBondContact O-CB 3.43Å; E1019-Q1023 VanDerWaalsContact O-CD 3.31Å; E1019-Q1023 WeakPolarHBondContact O-CG 2.77Å; E1019-Q1023 PolarHBondContact O-N 2.88Å; E1019-Q1023 PolarHBondContact O-OE1 3.34Å; E1019-Q1023 PolarHBondContact OE2-NE2 3.25Å; R1020-Q1023 CarbonylContact O-C 3.57Å; Q1023-K1026 VanDerWaalsContact CA-CB 3.48Å; Q1023-K1026 CarbonylContact O-C 3.56Å; Q1023-L1027 HydrophobicContact CB-CB 4.16Å; Q1023-L1027 HydrophobicContact CB-CD1 3.52Å; Q1023-L1027 HydrophobicContact CB-CG 4.48Å; Q1023-L1027 HydrophobicContact CG-CD1 4.07Å; Q1023-L1027 CarbonylContact O-C 3.59Å; Q1023-L1027 WeakPolarHBondContact O-CA 2.64Å; Q1023-L1027 CovalentContact O-CB 1.42Å; Q1023-L1027 WeakPolarHBondContact O-CB 3.47Å; Q1023-L1027 WeakPolarHBondContact O-CD1 2.35Å; Q1023-L1027 WeakPolarHBondContact O-CG 2.62Å; Q1023-L1027 PolarHBondContact O-N 3.36Å; Q1023-K1028 PolarHBondContact O-N 2.23Å; Q1023-K1028 VanDerWaalsContact O-N 3.09Å | |
| 1024 | L | 53.8 | Low | 57.4 | Low | 69 Ų | 69 | 73.6 Ų | 73.6 | 36% | 0.361 | 36% | 0.357 | S | S | . | . | S | Bend | 0 | 0 | 0 | -100.8 | 153.6 | 0 | 0 | 0 | 109.2 | E1019 R1020 S1021 L1027 K1028 S1029 | E1019-L1024 PolarHBondContact O-N 2.96Å; R1020-L1024 HydrophobicContact CB-CB 4.17Å; R1020-L1024 HydrophobicContact CB-CD1 3.3Å; R1020-L1024 HydrophobicContact CB-CG 3.96Å; R1020-L1024 HydrophobicContact CG-CD1 4.15Å; R1020-L1024 CarbonylContact O-C 3.27Å; R1020-L1024 WeakPolarHBondContact O-CA 3.32Å; R1020-L1024 CovalentContact O-CB 1.35Å; R1020-L1024 WeakPolarHBondContact O-CB 2.75Å; R1020-L1024 WeakPolarHBondContact O-CD1 2.67Å; R1020-L1024 WeakPolarHBondContact O-CG 2.4Å; R1020-L1024 PolarHBondContact O-N 2.8Å; S1021-L1024 VanDerWaalsContact C-C 3.48Å; S1021-L1024 CarbonylContact O-C 3.14Å; L1024-L1027 VanDerWaalsContact C-C 3.4Å; L1024-L1027 CarbonylContact O-C 3.49Å; L1024-K1028 HydrophobicContact CB-CB 4.08Å; L1024-K1028 CarbonylContact O-C 3.53Å; L1024-K1028 WeakPolarHBondContact O-CA 3.46Å; L1024-K1028 CovalentContact O-CB 1.3Å; L1024-K1028 WeakPolarHBondContact O-CB 3.02Å; L1024-K1028 WeakPolarHBondContact O-CG 2.68Å; L1024-K1028 PolarHBondContact O-N 2.71Å; L1024-S1029 PolarHBondContact O-N 2.8Å | |
| 1025 | T | 55.6 | Low | 57.6 | Low | 48 Ų | 48 | 73.5 Ų | 73.5 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | S | Bend | 0 | 0 | 0 | -34.5 | 0 | 0 | 0 | 0 | 108.5 | R1020 S1021 K1022 K1028 S1029 K1030 | R1020-T1025 PolarHBondContact O-N 3.24Å; S1021-T1025 WeakPolarHBondContact CA-OG1 2.64Å; S1021-T1025 VanDerWaalsContact CB-OG1 3.23Å; S1021-T1025 WeakPolarHBondContact CB-OG1 3.4Å; S1021-T1025 CarbonylContact O-C 3.31Å; S1021-T1025 WeakPolarHBondContact O-CA 2.5Å; S1021-T1025 WeakPolarHBondContact O-CB 2.41Å; S1021-T1025 WeakPolarHBondContact O-CG2 2.86Å; S1021-T1025 PolarHBondContact O-N 2.74Å; S1021-T1025 CovalentContact O-OG1 1.34Å; S1021-T1025 PolarHBondContact O-OG1 2.89Å; S1021-T1025 PolarHBondContact OG-OG1 2.98Å; K1022-T1025 PolarHBondContact N-OG1 2.35Å; K1022-T1025 CarbonylContact O-C 3.22Å; T1025-K1028 VanDerWaalsContact C-C 3.47Å; T1025-K1028 CarbonylContact O-C 3.58Å; T1025-S1029 CarbonylContact O-C 3.2Å; T1025-S1029 WeakPolarHBondContact O-CA 3Å; T1025-S1029 WeakPolarHBondContact O-CB 2.7Å; T1025-S1029 CovalentContact O-N 1.55Å; T1025-S1029 PolarHBondContact O-N 0.94Å; T1025-S1029 PolarHBondContact O-OG 3.11Å; T1025-K1030 PolarHBondContact O-N 2.91Å | |
| 1026 | K | 56.5 | Low | 58 | Low | 115 Ų | 115 | 76 Ų | 76 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | S | Bend | 0 | 0 | 0 | -85.2 | -177.9 | -177.1 | 176.7 | 0 | 111.3 | S1021 K1022 Q1023 S1029 K1030 | S1021-K1026 PolarHBondContact O-N 2.28Å; K1022-K1026 HydrophobicContact CB-CB 4.44Å; K1022-K1026 HydrophobicContact CB-CD 4.3Å; K1022-K1026 HydrophobicContact CB-CG 4.13Å; K1022-K1026 CarbonylContact O-C 3.15Å; K1022-K1026 WeakPolarHBondContact O-CA 2.87Å; K1022-K1026 WeakPolarHBondContact O-CB 3.34Å; K1022-K1026 WeakPolarHBondContact O-CD 3.18Å; K1022-K1026 WeakPolarHBondContact O-CG 2.11Å; K1022-K1026 CovalentContact O-N 1.53Å; K1022-K1026 PolarHBondContact O-N 3.2Å; Q1023-K1026 VanDerWaalsContact CA-CB 3.48Å; Q1023-K1026 CarbonylContact O-C 3.56Å; K1026-S1029 VanDerWaalsContact C-OG 3.22Å; K1026-S1029 WeakPolarHBondContact CA-OG 2.91Å; K1026-S1029 PolarHBondContact N-OG 2.51Å; K1026-S1029 CarbonylContact O-C 3.6Å; K1026-S1029 PolarHBondContact O-OG 2.11Å; K1026-K1030 CarbonylContact O-C 3.52Å; K1026-K1030 WeakPolarHBondContact O-CA 3.25Å; K1026-K1030 WeakPolarHBondContact O-CB 3.34Å; K1026-K1030 WeakPolarHBondContact O-CG 2.7Å; K1026-K1030 CovalentContact O-N 1.74Å; K1026-K1030 PolarHBondContact O-N 3.31Å | |
| 1027 | L | 55.9 | Low | 58.3 | Low | 44 Ų | 44 | 76.3 Ų | 76.3 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -116.7 | 122.4 | 0 | 0 | 0 | 110 | K1022 Q1023 L1024 K1030 Y1031 E1032 | K1022-L1027 PolarHBondContact O-N 3.32Å; Q1023-L1027 HydrophobicContact CB-CB 4.16Å; Q1023-L1027 HydrophobicContact CB-CD1 3.52Å; Q1023-L1027 HydrophobicContact CB-CG 4.48Å; Q1023-L1027 HydrophobicContact CG-CD1 4.07Å; Q1023-L1027 CarbonylContact O-C 3.59Å; Q1023-L1027 WeakPolarHBondContact O-CA 2.64Å; Q1023-L1027 CovalentContact O-CB 1.42Å; Q1023-L1027 WeakPolarHBondContact O-CB 3.47Å; Q1023-L1027 WeakPolarHBondContact O-CD1 2.35Å; Q1023-L1027 WeakPolarHBondContact O-CG 2.62Å; Q1023-L1027 PolarHBondContact O-N 3.36Å; L1024-L1027 VanDerWaalsContact C-C 3.4Å; L1024-L1027 CarbonylContact O-C 3.49Å; L1027-K1030 CarbonylContact O-C 3.49Å; L1027-Y1031 VanDerWaalsContact CA-N 3.25Å; L1027-Y1031 HydrophobicContact CB-CD2 2.94Å; L1027-Y1031 HydrophobicContact CB-CE2 3.21Å; L1027-Y1031 HydrophobicContact CB-CG 3.99Å; L1027-Y1031 HydrophobicContact CD1-CE2 3.98Å; L1027-Y1031 HydrophobicContact CD2-CD1 3.94Å; L1027-Y1031 HydrophobicContact CD2-CD2 2.45Å; L1027-Y1031 HydrophobicContact CD2-CE1 3.42Å; L1027-Y1031 VanDerWaalsContact CD2-CE1 3.42Å; L1027-Y1031 CovalentContact CD2-CE2 1.48Å; L1027-Y1031 HydrophobicContact CD2-CE2 1.48Å; L1027-Y1031 HydrophobicContact CD2-CG 3.55Å; L1027-Y1031 WeakPolarHBondContact CD2-OH 2.99Å; L1027-Y1031 HydrophobicContact CG-CD2 3.15Å; L1027-Y1031 HydrophobicContact CG-CE2 2.78Å; L1027-Y1031 HydrophobicContact CG-CG 4.17Å; L1027-Y1031 CarbonylContact O-C 3.59Å; L1027-Y1031 WeakPolarHBondContact O-CA 2.71Å; L1027-Y1031 WeakPolarHBondContact O-CB 3.01Å; L1027-Y1031 WeakPolarHBondContact O-CD2 2.6Å; L1027-Y1031 CovalentContact O-N 1.48Å; L1027-Y1031 PolarHBondContact O-N 2.8Å; L1027-E1032 PolarHBondContact O-N 2.84Å | |
| 1028 | K | 56.3 | Low | 58.5 | Low | 102 Ų | 102 | 76 Ų | 76 | 44% | 0.443 | 37% | 0.369 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -152.1 | 179.5 | 175.8 | -178.1 | 0 | 109.4 | Q1023 L1024 T1025 Y1031 E1032 S1033 | Q1023-K1028 PolarHBondContact O-N 2.23Å; Q1023-K1028 VanDerWaalsContact O-N 3.09Å; L1024-K1028 HydrophobicContact CB-CB 4.08Å; L1024-K1028 CarbonylContact O-C 3.53Å; L1024-K1028 WeakPolarHBondContact O-CA 3.46Å; L1024-K1028 CovalentContact O-CB 1.3Å; L1024-K1028 WeakPolarHBondContact O-CB 3.02Å; L1024-K1028 WeakPolarHBondContact O-CG 2.68Å; L1024-K1028 PolarHBondContact O-N 2.71Å; T1025-K1028 VanDerWaalsContact C-C 3.47Å; T1025-K1028 CarbonylContact O-C 3.58Å; K1028-Y1031 CarbonylContact O-C 3.09Å; K1028-E1032 VanDerWaalsContact C-CG 3.43Å; K1028-E1032 HydrophobicContact CB-CB 4.41Å; K1028-E1032 HydrophobicContact CB-CG 4.15Å; K1028-E1032 HydrophobicContact CD-CG 4.37Å; K1028-E1032 WeakPolarHBondContact CE-OE1 2.87Å; K1028-E1032 HydrophobicContact CG-CB 4.25Å; K1028-E1032 VanDerWaalsContact CG-CD 3.46Å; K1028-E1032 HydrophobicContact CG-CG 3.45Å; K1028-E1032 VanDerWaalsContact CG-CG 3.45Å; K1028-E1032 IonicContact NZ-OE1 3.27Å; K1028-E1032 CarbonylContact O-C 3.46Å; K1028-E1032 WeakPolarHBondContact O-CA 2.77Å; K1028-E1032 WeakPolarHBondContact O-CB 3.14Å; K1028-E1032 WeakPolarHBondContact O-CG 3.19Å; K1028-E1032 CovalentContact O-N 1.47Å; K1028-E1032 PolarHBondContact O-N 2.02Å; K1028-S1033 PolarHBondContact O-N 2.09Å; K1028-S1033 VanDerWaalsContact O-N 3.12Å | |
| 1029 | S | 58.1 | Low | 58.8 | Low | 44 Ų | 44 | 76.8 Ų | 76.8 | 31% | 0.308 | 37% | 0.372 | S | S | . | . | H | α-helix | 0 | -35.3 | 0 | 85.3 | 0 | 0 | 0 | 0 | 109 | L1024 T1025 K1026 E1032 S1033 N1034 | L1024-S1029 PolarHBondContact O-N 2.8Å; T1025-S1029 CarbonylContact O-C 3.2Å; T1025-S1029 WeakPolarHBondContact O-CA 3Å; T1025-S1029 WeakPolarHBondContact O-CB 2.7Å; T1025-S1029 CovalentContact O-N 1.55Å; T1025-S1029 PolarHBondContact O-N 0.94Å; T1025-S1029 PolarHBondContact O-OG 3.11Å; K1026-S1029 VanDerWaalsContact C-OG 3.22Å; K1026-S1029 WeakPolarHBondContact CA-OG 2.91Å; K1026-S1029 PolarHBondContact N-OG 2.51Å; K1026-S1029 CarbonylContact O-C 3.6Å; K1026-S1029 PolarHBondContact O-OG 2.11Å; S1029-E1032 VanDerWaalsContact CA-CB 3.43Å; S1029-E1032 CarbonylContact O-C 3.02Å; S1029-S1033 CarbonylContact O-C 3.25Å; S1029-S1033 WeakPolarHBondContact O-CA 3.26Å; S1029-S1033 CovalentContact O-CB 1.63Å; S1029-S1033 WeakPolarHBondContact O-CB 2.86Å; S1029-S1033 PolarHBondContact O-N 2.95Å; S1029-S1033 PolarHBondContact O-OG 2.91Å; S1029-N1034 PolarHBondContact O-N 3.14Å | |
| 1030 | K | 59.4 | Low | 59 | Low | 127 Ų | 127 | 76.4 Ų | 76.4 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -76.8 | 0 | 167.7 | -117.1 | -179.4 | -179.9 | 179.1 | 0 | 111.3 | T1025 K1026 L1027 S1033 N1034 L1035 | T1025-K1030 PolarHBondContact O-N 2.91Å; K1026-K1030 CarbonylContact O-C 3.52Å; K1026-K1030 WeakPolarHBondContact O-CA 3.25Å; K1026-K1030 WeakPolarHBondContact O-CB 3.34Å; K1026-K1030 WeakPolarHBondContact O-CG 2.7Å; K1026-K1030 CovalentContact O-N 1.74Å; K1026-K1030 PolarHBondContact O-N 3.31Å; L1027-K1030 CarbonylContact O-C 3.49Å; K1030-S1033 VanDerWaalsContact CA-CB 3.47Å; K1030-S1033 CarbonylContact O-C 3.16Å; K1030-N1034 CarbonylContact O-C 3.19Å; K1030-N1034 VanDerWaalsContact O-C 3.28Å; K1030-N1034 WeakPolarHBondContact O-CA 2.85Å; K1030-N1034 WeakPolarHBondContact O-CB 3.35Å; K1030-N1034 CovalentContact O-N 1.63Å; K1030-N1034 PolarHBondContact O-N 2.79Å; K1030-N1034 PolarHBondContact O-ND2 2.4Å; K1030-N1034 VanDerWaalsContact O-ND2 3.08Å; K1030-N1034 PolarHBondContact O-OD1 2.41Å; K1030-L1035 PolarHBondContact O-N 3.12Å |
| 1031 | Y | 59.3 | Low | 59.5 | Low | 107 Ų | 107 | 76.3 Ų | 76.3 | 42% | 0.42 | 38% | 0.375 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -79 | -57.6 | 0 | 0 | 0 | 109.7 | L1027 K1028 N1034 L1035 N1036 | L1027-Y1031 VanDerWaalsContact CA-N 3.25Å; L1027-Y1031 HydrophobicContact CB-CD2 2.94Å; L1027-Y1031 HydrophobicContact CB-CE2 3.21Å; L1027-Y1031 HydrophobicContact CB-CG 3.99Å; L1027-Y1031 HydrophobicContact CD1-CE2 3.98Å; L1027-Y1031 HydrophobicContact CD2-CD1 3.94Å; L1027-Y1031 HydrophobicContact CD2-CD2 2.45Å; L1027-Y1031 HydrophobicContact CD2-CE1 3.42Å; L1027-Y1031 VanDerWaalsContact CD2-CE1 3.42Å; L1027-Y1031 CovalentContact CD2-CE2 1.48Å; L1027-Y1031 HydrophobicContact CD2-CE2 1.48Å; L1027-Y1031 HydrophobicContact CD2-CG 3.55Å; L1027-Y1031 WeakPolarHBondContact CD2-OH 2.99Å; L1027-Y1031 HydrophobicContact CG-CD2 3.15Å; L1027-Y1031 HydrophobicContact CG-CE2 2.78Å; L1027-Y1031 HydrophobicContact CG-CG 4.17Å; L1027-Y1031 CarbonylContact O-C 3.59Å; L1027-Y1031 WeakPolarHBondContact O-CA 2.71Å; L1027-Y1031 WeakPolarHBondContact O-CB 3.01Å; L1027-Y1031 WeakPolarHBondContact O-CD2 2.6Å; L1027-Y1031 CovalentContact O-N 1.48Å; L1027-Y1031 PolarHBondContact O-N 2.8Å; K1028-Y1031 CarbonylContact O-C 3.09Å; Y1031-N1034 VanDerWaalsContact C-C 3.48Å; Y1031-N1034 HydrophobicContact CD1-CB 4.34Å; Y1031-N1034 CarbonylContact O-C 3.56Å; Y1031-L1035 CarbonylContact O-C 3.02Å; Y1031-L1035 WeakPolarHBondContact O-CA 2.84Å; Y1031-L1035 WeakPolarHBondContact O-CB 2.88Å; Y1031-L1035 WeakPolarHBondContact O-CD1 3.2Å; Y1031-L1035 WeakPolarHBondContact O-CG 3.12Å; Y1031-L1035 CovalentContact O-N 1.35Å; Y1031-L1035 PolarHBondContact O-N 3.37Å; Y1031-N1036 PolarHBondContact O-N 3.27Å | |
| 1032 | E | 59 | Low | 59.9 | Low | 66 Ų | 66 | 76.9 Ų | 76.9 | 31% | 0.308 | 37% | 0.374 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -95.8 | 178.5 | 176.9 | 0 | 0 | 109.1 | L1027 K1028 S1029 L1035 N1036 | L1027-E1032 PolarHBondContact O-N 2.84Å; K1028-E1032 VanDerWaalsContact C-CG 3.43Å; K1028-E1032 HydrophobicContact CB-CB 4.41Å; K1028-E1032 HydrophobicContact CB-CG 4.15Å; K1028-E1032 HydrophobicContact CD-CG 4.37Å; K1028-E1032 WeakPolarHBondContact CE-OE1 2.87Å; K1028-E1032 HydrophobicContact CG-CB 4.25Å; K1028-E1032 VanDerWaalsContact CG-CD 3.46Å; K1028-E1032 HydrophobicContact CG-CG 3.45Å; K1028-E1032 VanDerWaalsContact CG-CG 3.45Å; K1028-E1032 IonicContact NZ-OE1 3.27Å; K1028-E1032 CarbonylContact O-C 3.46Å; K1028-E1032 WeakPolarHBondContact O-CA 2.77Å; K1028-E1032 WeakPolarHBondContact O-CB 3.14Å; K1028-E1032 WeakPolarHBondContact O-CG 3.19Å; K1028-E1032 CovalentContact O-N 1.47Å; K1028-E1032 PolarHBondContact O-N 2.02Å; S1029-E1032 VanDerWaalsContact CA-CB 3.43Å; S1029-E1032 CarbonylContact O-C 3.02Å; E1032-L1035 VanDerWaalsContact N-CB 3.34Å; E1032-L1035 CarbonylContact O-C 3.2Å; E1032-N1036 VanDerWaalsContact CA-N 3.35Å; E1032-N1036 CarbonylContact O-C 3.35Å; E1032-N1036 WeakPolarHBondContact O-CA 3.23Å; E1032-N1036 WeakPolarHBondContact O-CB 2.97Å; E1032-N1036 CovalentContact O-N 1.61Å; E1032-N1036 PolarHBondContact O-N 2.72Å; E1032-N1036 PolarHBondContact O-ND2 3.28Å; E1032-N1036 PolarHBondContact O-OD1 3.32Å | |
| 1033 | S | 61 | Low | 60.3 | Low | 41 Ų | 41 | 74.2 Ų | 74.2 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | H | α-helix | 0 | -43.3 | 0 | 165.2 | 0 | 0 | 0 | 0 | 110.5 | K1028 S1029 K1030 N1036 E1037 | K1028-S1033 PolarHBondContact O-N 2.09Å; K1028-S1033 VanDerWaalsContact O-N 3.12Å; S1029-S1033 CarbonylContact O-C 3.25Å; S1029-S1033 WeakPolarHBondContact O-CA 3.26Å; S1029-S1033 CovalentContact O-CB 1.63Å; S1029-S1033 WeakPolarHBondContact O-CB 2.86Å; S1029-S1033 PolarHBondContact O-N 2.95Å; S1029-S1033 PolarHBondContact O-OG 2.91Å; K1030-S1033 VanDerWaalsContact CA-CB 3.47Å; K1030-S1033 CarbonylContact O-C 3.16Å; S1033-N1036 CarbonylContact O-C 3.29Å; S1033-N1036 PolarHBondContact O-N 3.4Å; S1033-E1037 CarbonylContact O-C 3.5Å; S1033-E1037 WeakPolarHBondContact O-CA 2.83Å; S1033-E1037 WeakPolarHBondContact O-CB 2.95Å; S1033-E1037 WeakPolarHBondContact O-CG 2.66Å; S1033-E1037 PolarHBondContact O-N 2.67Å | |
| 1034 | N | 65.1 | Low | 60.6 | Low | 53 Ų | 53 | 77.2 Ų | 77.2 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.4 | 0 | 165.2 | -78.3 | -16.2 | 0 | 0 | 0 | 111.8 | S1029 K1030 Y1031 E1037 L1038 | S1029-N1034 PolarHBondContact O-N 3.14Å; K1030-N1034 CarbonylContact O-C 3.19Å; K1030-N1034 VanDerWaalsContact O-C 3.28Å; K1030-N1034 WeakPolarHBondContact O-CA 2.85Å; K1030-N1034 WeakPolarHBondContact O-CB 3.35Å; K1030-N1034 CovalentContact O-N 1.63Å; K1030-N1034 PolarHBondContact O-N 2.79Å; K1030-N1034 PolarHBondContact O-ND2 2.4Å; K1030-N1034 VanDerWaalsContact O-ND2 3.08Å; K1030-N1034 PolarHBondContact O-OD1 2.41Å; Y1031-N1034 VanDerWaalsContact C-C 3.48Å; Y1031-N1034 HydrophobicContact CD1-CB 4.34Å; Y1031-N1034 CarbonylContact O-C 3.56Å; N1034-E1037 VanDerWaalsContact CA-CB 3.45Å; N1034-E1037 CarbonylContact O-C 3.35Å; N1034-E1037 PolarHBondContact O-N 3.32Å; N1034-E1037 PolarHBondContact OD1-OE2 3.33Å; N1034-E1037 VanDerWaalsContact OD1-OE2 3.04Å; N1034-L1038 VanDerWaalsContact C-CA 3.5Å; N1034-L1038 HydrophobicContact CB-CD1 3.97Å; N1034-L1038 HydrophobicContact CB-CG 4.4Å; N1034-L1038 CarbonylContact O-C 3.33Å; N1034-L1038 WeakPolarHBondContact O-CA 2.6Å; N1034-L1038 WeakPolarHBondContact O-CB 3.45Å; N1034-L1038 VanDerWaalsContact O-CD1 3.24Å; N1034-L1038 WeakPolarHBondContact O-CD1 2.85Å; N1034-L1038 WeakPolarHBondContact O-CG 2.67Å; N1034-L1038 CovalentContact O-N 1.67Å; N1034-L1038 PolarHBondContact O-N 2.84Å |
| 1035 | L | 62.2 | Low | 61 | Low | 72 Ų | 72 | 78.3 Ų | 78.3 | 38% | 0.377 | 38% | 0.379 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -125.5 | 137.2 | 0 | 0 | 0 | 109.3 | K1030 Y1031 E1032 L1038 Q1039 D1040 | K1030-L1035 PolarHBondContact O-N 3.12Å; Y1031-L1035 CarbonylContact O-C 3.02Å; Y1031-L1035 WeakPolarHBondContact O-CA 2.84Å; Y1031-L1035 WeakPolarHBondContact O-CB 2.88Å; Y1031-L1035 WeakPolarHBondContact O-CD1 3.2Å; Y1031-L1035 WeakPolarHBondContact O-CG 3.12Å; Y1031-L1035 CovalentContact O-N 1.35Å; Y1031-L1035 PolarHBondContact O-N 3.37Å; E1032-L1035 VanDerWaalsContact N-CB 3.34Å; E1032-L1035 CarbonylContact O-C 3.2Å; L1035-L1038 CarbonylContact O-C 2.85Å; L1035-L1038 PolarHBondContact O-N 2.78Å; L1035-Q1039 HydrophobicContact CD2-CB 4.49Å; L1035-Q1039 VanDerWaalsContact CD2-CD 3.5Å; L1035-Q1039 HydrophobicContact CD2-CG 3.84Å; L1035-Q1039 CarbonylContact O-C 3.33Å; L1035-Q1039 VanDerWaalsContact O-C 3.29Å; L1035-Q1039 WeakPolarHBondContact O-CA 2.81Å; L1035-Q1039 WeakPolarHBondContact O-CB 3.23Å; L1035-Q1039 WeakPolarHBondContact O-CG 3.17Å; L1035-Q1039 CovalentContact O-N 1.51Å; L1035-Q1039 PolarHBondContact O-N 3.5Å; L1035-D1040 PolarHBondContact O-N 3.44Å | |
| 1036 | N | 65.9 | Low | 61.2 | Low | 77 Ų | 77 | 80.1 Ų | 80.1 | 41% | 0.412 | 38% | 0.384 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -91 | -13.6 | 0 | 0 | 0 | 109.9 | Y1031 E1032 S1033 Q1039 D1040 | Y1031-N1036 PolarHBondContact O-N 3.27Å; E1032-N1036 VanDerWaalsContact CA-N 3.35Å; E1032-N1036 CarbonylContact O-C 3.35Å; E1032-N1036 WeakPolarHBondContact O-CA 3.23Å; E1032-N1036 WeakPolarHBondContact O-CB 2.97Å; E1032-N1036 CovalentContact O-N 1.61Å; E1032-N1036 PolarHBondContact O-N 2.72Å; E1032-N1036 PolarHBondContact O-ND2 3.28Å; E1032-N1036 PolarHBondContact O-OD1 3.32Å; S1033-N1036 CarbonylContact O-C 3.29Å; S1033-N1036 PolarHBondContact O-N 3.4Å; N1036-Q1039 VanDerWaalsContact CA-CB 3.42Å; N1036-Q1039 CarbonylContact O-C 3.08Å; N1036-Q1039 PolarHBondContact OD1-OE1 2.95Å; N1036-Q1039 VanDerWaalsContact OD1-OE1 3.13Å; N1036-D1040 CarbonylContact O-C 3.14Å; N1036-D1040 WeakPolarHBondContact O-CA 3.05Å; N1036-D1040 WeakPolarHBondContact O-CB 3.24Å; N1036-D1040 CovalentContact O-N 1.79Å; N1036-D1040 PolarHBondContact O-N 3.41Å | |
| 1037 | E | 63.7 | Low | 61.5 | Low | 75 Ų | 75 | 80 Ų | 80 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | H | α-helix | 0 | -36.2 | 0 | -94.1 | 178.4 | -176.7 | 0 | 0 | 110.9 | S1033 N1034 D1040 K1041 | S1033-E1037 CarbonylContact O-C 3.5Å; S1033-E1037 WeakPolarHBondContact O-CA 2.83Å; S1033-E1037 WeakPolarHBondContact O-CB 2.95Å; S1033-E1037 WeakPolarHBondContact O-CG 2.66Å; S1033-E1037 PolarHBondContact O-N 2.67Å; N1034-E1037 VanDerWaalsContact CA-CB 3.45Å; N1034-E1037 CarbonylContact O-C 3.35Å; N1034-E1037 PolarHBondContact O-N 3.32Å; N1034-E1037 PolarHBondContact OD1-OE2 3.33Å; N1034-E1037 VanDerWaalsContact OD1-OE2 3.04Å; E1037-D1040 CarbonylContact O-C 3.15Å; E1037-K1041 VanDerWaalsContact C-CG 3.5Å; E1037-K1041 WeakPolarHBondContact O-CA 3.28Å; E1037-K1041 WeakPolarHBondContact O-CB 3.45Å; E1037-K1041 WeakPolarHBondContact O-CD 3.31Å; E1037-K1041 WeakPolarHBondContact O-CG 2.72Å; E1037-K1041 PolarHBondContact O-N 3.37Å | |
| 1038 | L | 61 | Low | 61.6 | Low | 82 Ų | 82 | 79.8 Ų | 79.8 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -78.5 | 0 | 169.2 | -85.1 | 159.3 | 0 | 0 | 0 | 110.3 | N1034 L1035 K1041 L1042 V1043 | N1034-L1038 VanDerWaalsContact C-CA 3.5Å; N1034-L1038 HydrophobicContact CB-CD1 3.97Å; N1034-L1038 HydrophobicContact CB-CG 4.4Å; N1034-L1038 CarbonylContact O-C 3.33Å; N1034-L1038 WeakPolarHBondContact O-CA 2.6Å; N1034-L1038 WeakPolarHBondContact O-CB 3.45Å; N1034-L1038 VanDerWaalsContact O-CD1 3.24Å; N1034-L1038 WeakPolarHBondContact O-CD1 2.85Å; N1034-L1038 WeakPolarHBondContact O-CG 2.67Å; N1034-L1038 CovalentContact O-N 1.67Å; N1034-L1038 PolarHBondContact O-N 2.84Å; L1035-L1038 CarbonylContact O-C 2.85Å; L1035-L1038 PolarHBondContact O-N 2.78Å; L1038-K1041 VanDerWaalsContact C-C 3.46Å; L1038-K1041 CarbonylContact O-C 3.5Å; L1038-K1041 VanDerWaalsContact O-CA 3.29Å; L1038-K1041 WeakPolarHBondContact O-CA 3.34Å; L1038-K1041 PolarHBondContact O-N 3.07Å; L1038-L1042 CarbonylContact O-C 2.93Å; L1038-L1042 VanDerWaalsContact O-C 3.29Å; L1038-L1042 WeakPolarHBondContact O-CA 3.04Å; L1038-L1042 WeakPolarHBondContact O-CB 3.46Å; L1038-L1042 CovalentContact O-N 1.34Å; L1038-L1042 PolarHBondContact O-N 3.03Å; L1038-V1043 PolarHBondContact O-N 2.85Å |
| 1039 | Q | 63.3 | Low | 61.9 | Low | 72 Ų | 72 | 82.4 Ų | 82.4 | 34% | 0.336 | 39% | 0.392 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -115.9 | 168.1 | -16.3 | 0 | 0 | 109.8 | L1035 N1036 K1041 L1042 V1043 R1044 | L1035-Q1039 HydrophobicContact CD2-CB 4.49Å; L1035-Q1039 VanDerWaalsContact CD2-CD 3.5Å; L1035-Q1039 HydrophobicContact CD2-CG 3.84Å; L1035-Q1039 CarbonylContact O-C 3.33Å; L1035-Q1039 VanDerWaalsContact O-C 3.29Å; L1035-Q1039 WeakPolarHBondContact O-CA 2.81Å; L1035-Q1039 WeakPolarHBondContact O-CB 3.23Å; L1035-Q1039 WeakPolarHBondContact O-CG 3.17Å; L1035-Q1039 CovalentContact O-N 1.51Å; L1035-Q1039 PolarHBondContact O-N 3.5Å; N1036-Q1039 VanDerWaalsContact CA-CB 3.42Å; N1036-Q1039 CarbonylContact O-C 3.08Å; N1036-Q1039 PolarHBondContact OD1-OE1 2.95Å; N1036-Q1039 VanDerWaalsContact OD1-OE1 3.13Å; Q1039-K1041 VanDerWaalsContact C-N 3.34Å; Q1039-L1042 VanDerWaalsContact C-N 3.35Å; Q1039-L1042 HydrophobicContact CG-CD2 4.44Å; Q1039-L1042 CarbonylContact O-C 3.17Å; Q1039-L1042 PolarHBondContact O-N 3.44Å; Q1039-V1043 HydrophobicContact CB-CG2 4.03Å; Q1039-V1043 HydrophobicContact CG-CG2 4.16Å; Q1039-V1043 CarbonylContact O-C 3.31Å; Q1039-V1043 WeakPolarHBondContact O-CA 3.14Å; Q1039-V1043 WeakPolarHBondContact O-CB 3.07Å; Q1039-V1043 WeakPolarHBondContact O-CG2 2.94Å; Q1039-V1043 CovalentContact O-N 1.69Å; Q1039-V1043 PolarHBondContact O-N 3.44Å; Q1039-R1044 PolarHBondContact O-N 3.16Å | |
| 1040 | D | 61.1 | Low | 62.2 | Low | 70 Ų | 70 | 85.5 Ų | 85.5 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -91.6 | -8.4 | 0 | 0 | 0 | 109.1 | L1035 N1036 E1037 V1043 R1044 | L1035-D1040 PolarHBondContact O-N 3.44Å; N1036-D1040 CarbonylContact O-C 3.14Å; N1036-D1040 WeakPolarHBondContact O-CA 3.05Å; N1036-D1040 WeakPolarHBondContact O-CB 3.24Å; N1036-D1040 CovalentContact O-N 1.79Å; N1036-D1040 PolarHBondContact O-N 3.41Å; E1037-D1040 CarbonylContact O-C 3.15Å; D1040-V1043 CarbonylContact O-C 3.47Å; D1040-V1043 VanDerWaalsContact O-C 3.25Å; D1040-R1044 VanDerWaalsContact C-CA 3.44Å; D1040-R1044 HydrophobicContact CB-CG 4.42Å; D1040-R1044 CarbonylContact O-C 3.45Å; D1040-R1044 WeakPolarHBondContact O-CA 3.35Å; D1040-R1044 WeakPolarHBondContact O-CB 3.1Å; D1040-R1044 WeakPolarHBondContact O-CD 3.21Å; D1040-R1044 WeakPolarHBondContact O-CG 3.26Å; D1040-R1044 PolarHBondContact O-N 2.94Å; D1040-R1044 IonicContact OD2-NH2 3.55Å | |
| 1041 | K | 65.1 | Low | 62.2 | Low | 110 Ų | 110 | 83.2 Ų | 83.2 | 48% | 0.478 | 40% | 0.396 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -85.5 | -177 | -177.1 | 178 | 0 | 111.1 | E1037 L1038 Q1039 R1044 E1045 | E1037-K1041 VanDerWaalsContact C-CG 3.5Å; E1037-K1041 WeakPolarHBondContact O-CA 3.28Å; E1037-K1041 WeakPolarHBondContact O-CB 3.45Å; E1037-K1041 WeakPolarHBondContact O-CD 3.31Å; E1037-K1041 WeakPolarHBondContact O-CG 2.72Å; E1037-K1041 PolarHBondContact O-N 3.37Å; L1038-K1041 VanDerWaalsContact C-C 3.46Å; L1038-K1041 CarbonylContact O-C 3.5Å; L1038-K1041 VanDerWaalsContact O-CA 3.29Å; L1038-K1041 WeakPolarHBondContact O-CA 3.34Å; L1038-K1041 PolarHBondContact O-N 3.07Å; Q1039-K1041 VanDerWaalsContact C-N 3.34Å; K1041-R1044 VanDerWaalsContact CA-CB 3.43Å; K1041-R1044 CarbonylContact O-C 3.41Å; K1041-E1045 VanDerWaalsContact C-CA 3.48Å; K1041-E1045 CarbonylContact O-C 2.95Å; K1041-E1045 WeakPolarHBondContact O-CA 3.47Å; K1041-E1045 WeakPolarHBondContact O-CB 3.19Å; K1041-E1045 CovalentContact O-N 1.71Å; K1041-E1045 PolarHBondContact O-N 3.07Å | |
| 1042 | L | 63.9 | Low | 62.4 | Low | 56 Ų | 56 | 82.4 Ų | 82.4 | 29% | 0.293 | 40% | 0.398 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -178.9 | 73.3 | 0 | 0 | 0 | 109.1 | L1038 Q1039 R1044 E1045 Q1046 K1047 | L1038-L1042 CarbonylContact O-C 2.93Å; L1038-L1042 VanDerWaalsContact O-C 3.29Å; L1038-L1042 WeakPolarHBondContact O-CA 3.04Å; L1038-L1042 WeakPolarHBondContact O-CB 3.46Å; L1038-L1042 CovalentContact O-N 1.34Å; L1038-L1042 PolarHBondContact O-N 3.03Å; Q1039-L1042 VanDerWaalsContact C-N 3.35Å; Q1039-L1042 HydrophobicContact CG-CD2 4.44Å; Q1039-L1042 CarbonylContact O-C 3.17Å; Q1039-L1042 PolarHBondContact O-N 3.44Å; L1042-R1044 VanDerWaalsContact C-N 3.25Å; L1042-E1045 VanDerWaalsContact C-N 3.33Å; L1042-E1045 CarbonylContact O-C 3.26Å; L1042-E1045 WeakPolarHBondContact O-CA 2.77Å; L1042-E1045 PolarHBondContact O-N 3.08Å; L1042-Q1046 HydrophobicContact CB-CG 4.43Å; L1042-Q1046 HydrophobicContact CD1-CG 3.63Å; L1042-Q1046 VanDerWaalsContact CD2-CD 3.42Å; L1042-Q1046 HydrophobicContact CD2-CG 4.17Å; L1042-Q1046 HydrophobicContact CG-CB 4.03Å; L1042-Q1046 HydrophobicContact CG-CG 3.34Å; L1042-Q1046 CarbonylContact O-C 3.38Å; L1042-Q1046 VanDerWaalsContact O-C 3.23Å; L1042-Q1046 WeakPolarHBondContact O-CA 3.37Å; L1042-Q1046 WeakPolarHBondContact O-CB 3.3Å; L1042-Q1046 WeakPolarHBondContact O-CG 3.28Å; L1042-Q1046 CovalentContact O-N 1.42Å; L1042-Q1046 PolarHBondContact O-N 2.58Å; L1042-K1047 PolarHBondContact O-N 3.15Å | |
| 1043 | V | 64.5 | Low | 62.6 | Low | 52 Ų | 52 | 83.9 Ų | 83.9 | 32% | 0.315 | 41% | 0.405 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 169.7 | 0 | 0 | 0 | 0 | 107.6 | L1038 Q1039 D1040 E1045 Q1046 K1047 S1048 | L1038-V1043 PolarHBondContact O-N 2.85Å; Q1039-V1043 HydrophobicContact CB-CG2 4.03Å; Q1039-V1043 HydrophobicContact CG-CG2 4.16Å; Q1039-V1043 CarbonylContact O-C 3.31Å; Q1039-V1043 WeakPolarHBondContact O-CA 3.14Å; Q1039-V1043 WeakPolarHBondContact O-CB 3.07Å; Q1039-V1043 WeakPolarHBondContact O-CG2 2.94Å; Q1039-V1043 CovalentContact O-N 1.69Å; Q1039-V1043 PolarHBondContact O-N 3.44Å; D1040-V1043 CarbonylContact O-C 3.47Å; D1040-V1043 VanDerWaalsContact O-C 3.25Å; V1043-E1045 VanDerWaalsContact C-N 3.35Å; V1043-Q1046 CarbonylContact O-C 3.58Å; V1043-K1047 VanDerWaalsContact CA-N 3.35Å; V1043-K1047 HydrophobicContact CG1-CB 3.84Å; V1043-K1047 HydrophobicContact CG1-CD 3.97Å; V1043-K1047 HydrophobicContact CG1-CG 4.17Å; V1043-K1047 CarbonylContact O-C 3.26Å; V1043-K1047 WeakPolarHBondContact O-CA 3.09Å; V1043-K1047 WeakPolarHBondContact O-CB 2.95Å; V1043-K1047 WeakPolarHBondContact O-CG 3.33Å; V1043-K1047 CovalentContact O-N 1.75Å; V1043-K1047 PolarHBondContact O-N 3.36Å; V1043-S1048 PolarHBondContact O-N 2.83Å | |
| 1044 | R | 62.3 | Low | 63 | Low | 139 Ų | 139 | 84.6 Ų | 84.6 | 53% | 0.525 | 41% | 0.407 | S | S | . | . | H | α-helix | 0 | -39.8 | 0 | -89 | -171.3 | -114.2 | 156.8 | 1.8 | 111.5 | Q1039 D1040 K1041 L1042 K1047 S1048 | Q1039-R1044 PolarHBondContact O-N 3.16Å; D1040-R1044 VanDerWaalsContact C-CA 3.44Å; D1040-R1044 HydrophobicContact CB-CG 4.42Å; D1040-R1044 CarbonylContact O-C 3.45Å; D1040-R1044 WeakPolarHBondContact O-CA 3.35Å; D1040-R1044 WeakPolarHBondContact O-CB 3.1Å; D1040-R1044 WeakPolarHBondContact O-CD 3.21Å; D1040-R1044 WeakPolarHBondContact O-CG 3.26Å; D1040-R1044 PolarHBondContact O-N 2.94Å; D1040-R1044 IonicContact OD2-NH2 3.55Å; K1041-R1044 VanDerWaalsContact CA-CB 3.43Å; K1041-R1044 CarbonylContact O-C 3.41Å; L1042-R1044 VanDerWaalsContact C-N 3.25Å; R1044-K1047 CarbonylContact O-C 3.54Å; R1044-S1048 WeakPolarHBondContact O-CA 3.16Å; R1044-S1048 WeakPolarHBondContact O-CB 2.8Å; R1044-S1048 PolarHBondContact O-N 3.3Å; R1044-S1048 PolarHBondContact O-OG 2.67Å | |
| 1045 | E | 62.4 | Low | 62.8 | Low | 93 Ų | 93 | 83.5 Ų | 83.5 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -77.1 | 0 | 172.3 | -156 | 166.3 | 173.6 | 0 | 0 | 110.4 | K1041 L1042 V1043 S1048 R1049 | K1041-E1045 VanDerWaalsContact C-CA 3.48Å; K1041-E1045 CarbonylContact O-C 2.95Å; K1041-E1045 WeakPolarHBondContact O-CA 3.47Å; K1041-E1045 WeakPolarHBondContact O-CB 3.19Å; K1041-E1045 CovalentContact O-N 1.71Å; K1041-E1045 PolarHBondContact O-N 3.07Å; L1042-E1045 VanDerWaalsContact C-N 3.33Å; L1042-E1045 CarbonylContact O-C 3.26Å; L1042-E1045 WeakPolarHBondContact O-CA 2.77Å; L1042-E1045 PolarHBondContact O-N 3.08Å; V1043-E1045 VanDerWaalsContact C-N 3.35Å; E1045-S1048 WeakPolarHBondContact CA-OG 2.49Å; E1045-S1048 PolarHBondContact N-OG 2.71Å; E1045-S1048 CarbonylContact O-C 3Å; E1045-S1048 VanDerWaalsContact O-CA 3.3Å; E1045-S1048 WeakPolarHBondContact O-CA 3.3Å; E1045-S1048 PolarHBondContact O-N 2.35Å; E1045-S1048 PolarHBondContact O-OG 3.42Å; E1045-R1049 CarbonylContact O-C 3.03Å; E1045-R1049 WeakPolarHBondContact O-CA 3.07Å; E1045-R1049 WeakPolarHBondContact O-CB 3.37Å; E1045-R1049 WeakPolarHBondContact O-CG 3.43Å; E1045-R1049 CovalentContact O-N 1.53Å; E1045-R1049 PolarHBondContact O-N 2.68Å |
| 1046 | Q | 60.4 | Low | 63.1 | Low | 86 Ų | 86 | 85 Ų | 85 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -93.4 | 175.3 | -18.1 | 0 | 0 | 109.9 | L1042 V1043 S1048 R1049 Q1050 D1051 | L1042-Q1046 HydrophobicContact CB-CG 4.43Å; L1042-Q1046 HydrophobicContact CD1-CG 3.63Å; L1042-Q1046 VanDerWaalsContact CD2-CD 3.42Å; L1042-Q1046 HydrophobicContact CD2-CG 4.17Å; L1042-Q1046 HydrophobicContact CG-CB 4.03Å; L1042-Q1046 HydrophobicContact CG-CG 3.34Å; L1042-Q1046 CarbonylContact O-C 3.38Å; L1042-Q1046 VanDerWaalsContact O-C 3.23Å; L1042-Q1046 WeakPolarHBondContact O-CA 3.37Å; L1042-Q1046 WeakPolarHBondContact O-CB 3.3Å; L1042-Q1046 WeakPolarHBondContact O-CG 3.28Å; L1042-Q1046 CovalentContact O-N 1.42Å; L1042-Q1046 PolarHBondContact O-N 2.58Å; V1043-Q1046 CarbonylContact O-C 3.58Å; Q1046-S1048 VanDerWaalsContact C-N 3.26Å; Q1046-R1049 VanDerWaalsContact C-N 3.26Å; Q1046-R1049 VanDerWaalsContact CA-CB 3.47Å; Q1046-R1049 CarbonylContact O-C 3.37Å; Q1046-R1049 WeakPolarHBondContact O-CA 3.08Å; Q1046-R1049 PolarHBondContact O-N 3.22Å; Q1046-Q1050 CarbonylContact O-C 3.03Å; Q1046-Q1050 VanDerWaalsContact O-C 3.3Å; Q1046-Q1050 WeakPolarHBondContact O-CA 3.08Å; Q1046-Q1050 WeakPolarHBondContact O-CB 3.15Å; Q1046-Q1050 WeakPolarHBondContact O-CG 2.29Å; Q1046-Q1050 CovalentContact O-N 1.57Å; Q1046-Q1050 PolarHBondContact O-N 3.46Å; Q1046-D1051 PolarHBondContact O-N 2.89Å | |
| 1047 | K | 60.9 | Low | 63.1 | Low | 113 Ų | 113 | 89.3 Ų | 89.3 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -139.8 | 179.2 | 179.3 | 173.9 | 0 | 109.5 | L1042 V1043 R1044 Q1050 D1051 | L1042-K1047 PolarHBondContact O-N 3.15Å; V1043-K1047 VanDerWaalsContact CA-N 3.35Å; V1043-K1047 HydrophobicContact CG1-CB 3.84Å; V1043-K1047 HydrophobicContact CG1-CD 3.97Å; V1043-K1047 HydrophobicContact CG1-CG 4.17Å; V1043-K1047 CarbonylContact O-C 3.26Å; V1043-K1047 WeakPolarHBondContact O-CA 3.09Å; V1043-K1047 WeakPolarHBondContact O-CB 2.95Å; V1043-K1047 WeakPolarHBondContact O-CG 3.33Å; V1043-K1047 CovalentContact O-N 1.75Å; V1043-K1047 PolarHBondContact O-N 3.36Å; R1044-K1047 CarbonylContact O-C 3.54Å; K1047-Q1050 CarbonylContact O-C 3.54Å; K1047-Q1050 VanDerWaalsContact O-C 3.27Å; K1047-D1051 VanDerWaalsContact C-CA 3.44Å; K1047-D1051 VanDerWaalsContact CG-OD2 3.31Å; K1047-D1051 WeakPolarHBondContact CG-OD2 3.22Å; K1047-D1051 CarbonylContact O-C 3.05Å; K1047-D1051 WeakPolarHBondContact O-CA 3.42Å; K1047-D1051 CovalentContact O-CB 1.85Å; K1047-D1051 WeakPolarHBondContact O-CB 2.36Å; K1047-D1051 PolarHBondContact O-N 2.68Å | |
| 1048 | S | 59.1 | Low | 63.2 | Low | 38 Ų | 38 | 93.4 Ų | 93.4 | 27% | 0.266 | 43% | 0.432 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 97 | 0 | 0 | 0 | 0 | 110.9 | V1043 R1044 E1045 Q1046 D1051 I1052 | V1043-S1048 PolarHBondContact O-N 2.83Å; R1044-S1048 WeakPolarHBondContact O-CA 3.16Å; R1044-S1048 WeakPolarHBondContact O-CB 2.8Å; R1044-S1048 PolarHBondContact O-N 3.3Å; R1044-S1048 PolarHBondContact O-OG 2.67Å; E1045-S1048 WeakPolarHBondContact CA-OG 2.49Å; E1045-S1048 PolarHBondContact N-OG 2.71Å; E1045-S1048 CarbonylContact O-C 3Å; E1045-S1048 VanDerWaalsContact O-CA 3.3Å; E1045-S1048 WeakPolarHBondContact O-CA 3.3Å; E1045-S1048 PolarHBondContact O-N 2.35Å; E1045-S1048 PolarHBondContact O-OG 3.42Å; Q1046-S1048 VanDerWaalsContact C-N 3.26Å; S1048-D1051 CarbonylContact O-C 3.21Å; S1048-I1052 WeakPolarHBondContact O-CA 2.3Å; S1048-I1052 WeakPolarHBondContact O-CB 3.31Å; S1048-I1052 WeakPolarHBondContact O-CD1 3.48Å; S1048-I1052 WeakPolarHBondContact O-CG1 3.32Å; S1048-I1052 PolarHBondContact O-N 3.22Å | |
| 1049 | R | 63 | Low | 63.1 | Low | 157 Ų | 157 | 94.3 Ų | 94.3 | 59% | 0.592 | 44% | 0.436 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -121.2 | -179.7 | 177.2 | 179.5 | -0.4 | 109.4 | E1045 Q1046 D1051 I1052 E1053 | E1045-R1049 CarbonylContact O-C 3.03Å; E1045-R1049 WeakPolarHBondContact O-CA 3.07Å; E1045-R1049 WeakPolarHBondContact O-CB 3.37Å; E1045-R1049 WeakPolarHBondContact O-CG 3.43Å; E1045-R1049 CovalentContact O-N 1.53Å; E1045-R1049 PolarHBondContact O-N 2.68Å; Q1046-R1049 VanDerWaalsContact C-N 3.26Å; Q1046-R1049 VanDerWaalsContact CA-CB 3.47Å; Q1046-R1049 CarbonylContact O-C 3.37Å; Q1046-R1049 WeakPolarHBondContact O-CA 3.08Å; Q1046-R1049 PolarHBondContact O-N 3.22Å; R1049-D1051 VanDerWaalsContact C-N 3.28Å; R1049-I1052 CarbonylContact O-C 3.5Å; R1049-I1052 VanDerWaalsContact O-CA 3.24Å; R1049-I1052 WeakPolarHBondContact O-CA 3.45Å; R1049-I1052 WeakPolarHBondContact O-CB 3.17Å; R1049-I1052 PolarHBondContact O-N 3.09Å; R1049-I1052 VanDerWaalsContact O-N 3.09Å; R1049-E1053 WeakPolarHBondContact O-CA 3.44Å; R1049-E1053 WeakPolarHBondContact O-CB 3.17Å; R1049-E1053 CovalentContact O-N 1.71Å; R1049-E1053 PolarHBondContact O-N 2.85Å | |
| 1050 | Q | 63 | Low | 63.5 | Low | 110 Ų | 110 | 95.4 Ų | 95.4 | 51% | 0.514 | 44% | 0.441 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -119.3 | 171.6 | 3.1 | 0 | 0 | 109.5 | Q1046 K1047 E1053 V1054 A1055 | Q1046-Q1050 CarbonylContact O-C 3.03Å; Q1046-Q1050 VanDerWaalsContact O-C 3.3Å; Q1046-Q1050 WeakPolarHBondContact O-CA 3.08Å; Q1046-Q1050 WeakPolarHBondContact O-CB 3.15Å; Q1046-Q1050 WeakPolarHBondContact O-CG 2.29Å; Q1046-Q1050 CovalentContact O-N 1.57Å; Q1046-Q1050 PolarHBondContact O-N 3.46Å; K1047-Q1050 CarbonylContact O-C 3.54Å; K1047-Q1050 VanDerWaalsContact O-C 3.27Å; Q1050-E1053 VanDerWaalsContact C-N 3.33Å; Q1050-E1053 CarbonylContact O-C 3.56Å; Q1050-E1053 PolarHBondContact O-N 2.79Å; Q1050-V1054 VanDerWaalsContact C-CG2 3.47Å; Q1050-V1054 HydrophobicContact CB-CG2 4.05Å; Q1050-V1054 HydrophobicContact CG-CG2 4.03Å; Q1050-V1054 CarbonylContact O-C 2.81Å; Q1050-V1054 WeakPolarHBondContact O-CA 3.34Å; Q1050-V1054 WeakPolarHBondContact O-CB 3.1Å; Q1050-V1054 WeakPolarHBondContact O-CG2 2.97Å; Q1050-V1054 CovalentContact O-N 1.75Å; Q1050-V1054 PolarHBondContact O-N 2.74Å; Q1050-A1055 PolarHBondContact O-N 2.76Å | |
| 1051 | D | 61.1 | Low | 63.8 | Low | 78 Ų | 78 | 95.2 Ų | 95.2 | 42% | 0.417 | 44% | 0.443 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -73.7 | -17.5 | 0 | 0 | 0 | 110.5 | Q1046 K1047 S1048 R1049 V1054 A1055 | Q1046-D1051 PolarHBondContact O-N 2.89Å; K1047-D1051 VanDerWaalsContact C-CA 3.44Å; K1047-D1051 VanDerWaalsContact CG-OD2 3.31Å; K1047-D1051 WeakPolarHBondContact CG-OD2 3.22Å; K1047-D1051 CarbonylContact O-C 3.05Å; K1047-D1051 WeakPolarHBondContact O-CA 3.42Å; K1047-D1051 CovalentContact O-CB 1.85Å; K1047-D1051 WeakPolarHBondContact O-CB 2.36Å; K1047-D1051 PolarHBondContact O-N 2.68Å; S1048-D1051 CarbonylContact O-C 3.21Å; R1049-D1051 VanDerWaalsContact C-N 3.28Å; D1051-V1054 CarbonylContact O-C 3.17Å; D1051-A1055 VanDerWaalsContact C-CA 3.46Å; D1051-A1055 CarbonylContact O-C 3.35Å; D1051-A1055 WeakPolarHBondContact O-CA 2.99Å; D1051-A1055 CovalentContact O-CB 1.76Å; D1051-A1055 WeakPolarHBondContact O-CB 2.31Å; D1051-A1055 PolarHBondContact O-N 2.73Å | |
| 1052 | I | 62.2 | Low | 63.8 | Low | 91 Ų | 91 | 93.7 Ų | 93.7 | 47% | 0.467 | 44% | 0.438 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -72.3 | 174.4 | 0 | 0 | 0 | 108.9 | S1048 R1049 A1055 K1056 | S1048-I1052 WeakPolarHBondContact O-CA 2.3Å; S1048-I1052 WeakPolarHBondContact O-CB 3.31Å; S1048-I1052 WeakPolarHBondContact O-CD1 3.48Å; S1048-I1052 WeakPolarHBondContact O-CG1 3.32Å; S1048-I1052 PolarHBondContact O-N 3.22Å; R1049-I1052 CarbonylContact O-C 3.5Å; R1049-I1052 VanDerWaalsContact O-CA 3.24Å; R1049-I1052 WeakPolarHBondContact O-CA 3.45Å; R1049-I1052 WeakPolarHBondContact O-CB 3.17Å; R1049-I1052 PolarHBondContact O-N 3.09Å; R1049-I1052 VanDerWaalsContact O-N 3.09Å; I1052-A1055 VanDerWaalsContact CA-CB 3.41Å; I1052-A1055 CarbonylContact O-C 3.51Å; I1052-A1055 WeakPolarHBondContact O-CA 2.14Å; I1052-A1055 PolarHBondContact O-N 2.67Å; I1052-K1056 HydrophobicContact CG2-CB 4.42Å; I1052-K1056 WeakPolarHBondContact O-CA 3.5Å; I1052-K1056 WeakPolarHBondContact O-CB 2.85Å; I1052-K1056 CovalentContact O-N 1.7Å; I1052-K1056 PolarHBondContact O-N 3.35Å | |
| 1053 | E | 64.7 | Low | 63.9 | Low | 97 Ų | 97 | 93.1 Ų | 93.1 | 45% | 0.453 | 44% | 0.441 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -134.4 | 168.9 | -178.7 | 0 | 0 | 109.4 | R1049 Q1050 A1055 K1056 R1057 | R1049-E1053 WeakPolarHBondContact O-CA 3.44Å; R1049-E1053 WeakPolarHBondContact O-CB 3.17Å; R1049-E1053 CovalentContact O-N 1.71Å; R1049-E1053 PolarHBondContact O-N 2.85Å; Q1050-E1053 VanDerWaalsContact C-N 3.33Å; Q1050-E1053 CarbonylContact O-C 3.56Å; Q1050-E1053 PolarHBondContact O-N 2.79Å; E1053-A1055 VanDerWaalsContact C-N 3.31Å; E1053-K1056 HydrophobicContact CB-CB 4.46Å; E1053-K1056 CarbonylContact O-C 3.3Å; E1053-K1056 VanDerWaalsContact O-CA 3.26Å; E1053-K1056 WeakPolarHBondContact O-CA 2.5Å; E1053-K1056 VanDerWaalsContact O-CB 3.3Å; E1053-K1056 WeakPolarHBondContact O-CB 2.46Å; E1053-K1056 PolarHBondContact O-N 2.74Å; E1053-K1056 VanDerWaalsContact O-N 3.12Å; E1053-R1057 WeakPolarHBondContact O-CA 3.19Å; E1053-R1057 WeakPolarHBondContact O-CB 3.34Å; E1053-R1057 WeakPolarHBondContact O-CG 3Å; E1053-R1057 CovalentContact O-N 1.79Å; E1053-R1057 PolarHBondContact O-N 2.69Å | |
| 1054 | V | 67.8 | Low | 64.3 | Low | 55 Ų | 55 | 93.1 Ų | 93.1 | 33% | 0.333 | 44% | 0.443 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 171.7 | 0 | 0 | 0 | 0 | 108.3 | Q1050 D1051 R1057 R1058 | Q1050-V1054 VanDerWaalsContact C-CG2 3.47Å; Q1050-V1054 HydrophobicContact CB-CG2 4.05Å; Q1050-V1054 HydrophobicContact CG-CG2 4.03Å; Q1050-V1054 CarbonylContact O-C 2.81Å; Q1050-V1054 WeakPolarHBondContact O-CA 3.34Å; Q1050-V1054 WeakPolarHBondContact O-CB 3.1Å; Q1050-V1054 WeakPolarHBondContact O-CG2 2.97Å; Q1050-V1054 CovalentContact O-N 1.75Å; Q1050-V1054 PolarHBondContact O-N 2.74Å; D1051-V1054 CarbonylContact O-C 3.17Å; V1054-R1057 CarbonylContact O-C 3.03Å; V1054-R1057 PolarHBondContact O-N 2.86Å; V1054-R1058 HydrophobicContact CG1-CB 4.18Å; V1054-R1058 HydrophobicContact CG1-CG 3.8Å; V1054-R1058 CarbonylContact O-C 3.04Å; V1054-R1058 WeakPolarHBondContact O-CA 2.83Å; V1054-R1058 WeakPolarHBondContact O-CB 3.04Å; V1054-R1058 WeakPolarHBondContact O-CG 3.34Å; V1054-R1058 CovalentContact O-N 1.82Å; V1054-R1058 PolarHBondContact O-N 2.7Å | |
| 1055 | A | 61.6 | Low | 64.6 | Low | 31 Ų | 31 | 91.7 Ų | 91.7 | 26% | 0.256 | 44% | 0.443 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1050 D1051 I1052 E1053 R1058 L1059 | Q1050-A1055 PolarHBondContact O-N 2.76Å; D1051-A1055 VanDerWaalsContact C-CA 3.46Å; D1051-A1055 CarbonylContact O-C 3.35Å; D1051-A1055 WeakPolarHBondContact O-CA 2.99Å; D1051-A1055 CovalentContact O-CB 1.76Å; D1051-A1055 WeakPolarHBondContact O-CB 2.31Å; D1051-A1055 PolarHBondContact O-N 2.73Å; I1052-A1055 VanDerWaalsContact CA-CB 3.41Å; I1052-A1055 CarbonylContact O-C 3.51Å; I1052-A1055 WeakPolarHBondContact O-CA 2.14Å; I1052-A1055 PolarHBondContact O-N 2.67Å; E1053-A1055 VanDerWaalsContact C-N 3.31Å; A1055-R1058 CarbonylContact O-C 3.06Å; A1055-R1058 VanDerWaalsContact O-C 3.22Å; A1055-L1059 HydrophobicContact CB-CD1 4.16Å; A1055-L1059 HydrophobicContact CB-CG 4.4Å; A1055-L1059 WeakPolarHBondContact O-CA 2.77Å; A1055-L1059 WeakPolarHBondContact O-CB 3.18Å; A1055-L1059 WeakPolarHBondContact O-CD1 3.3Å; A1055-L1059 WeakPolarHBondContact O-CG 3.44Å; A1055-L1059 PolarHBondContact O-N 2.73Å | |
| 1056 | K | 68.1 | Low | 64.5 | Low | 104 Ų | 104 | 95.3 Ų | 95.3 | 45% | 0.452 | 45% | 0.452 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -168.1 | -178.3 | 174.2 | -176 | 0 | 110.1 | I1052 E1053 R1058 L1059 E1060 | I1052-K1056 HydrophobicContact CG2-CB 4.42Å; I1052-K1056 WeakPolarHBondContact O-CA 3.5Å; I1052-K1056 WeakPolarHBondContact O-CB 2.85Å; I1052-K1056 CovalentContact O-N 1.7Å; I1052-K1056 PolarHBondContact O-N 3.35Å; E1053-K1056 HydrophobicContact CB-CB 4.46Å; E1053-K1056 CarbonylContact O-C 3.3Å; E1053-K1056 VanDerWaalsContact O-CA 3.26Å; E1053-K1056 WeakPolarHBondContact O-CA 2.5Å; E1053-K1056 VanDerWaalsContact O-CB 3.3Å; E1053-K1056 WeakPolarHBondContact O-CB 2.46Å; E1053-K1056 PolarHBondContact O-N 2.74Å; E1053-K1056 VanDerWaalsContact O-N 3.12Å; K1056-R1058 VanDerWaalsContact C-N 3.31Å; K1056-L1059 VanDerWaalsContact C-N 3.31Å; K1056-L1059 CarbonylContact O-C 2.93Å; K1056-L1059 VanDerWaalsContact O-CA 3.31Å; K1056-L1059 WeakPolarHBondContact O-CA 2.23Å; K1056-L1059 WeakPolarHBondContact O-CB 3.38Å; K1056-L1059 PolarHBondContact O-N 3.2Å; K1056-L1059 VanDerWaalsContact O-N 3.14Å; K1056-E1060 WeakPolarHBondContact CE-OE1 2.96Å; K1056-E1060 HydrophobicContact CG-CG 3.92Å; K1056-E1060 IonicContact NZ-OE1 3.42Å; K1056-E1060 WeakPolarHBondContact O-CA 3.22Å; K1056-E1060 WeakPolarHBondContact O-CB 2.79Å; K1056-E1060 WeakPolarHBondContact O-CG 2.78Å; K1056-E1060 CovalentContact O-N 1.81Å; K1056-E1060 PolarHBondContact O-N 3.46Å | |
| 1057 | R | 66.9 | Low | 65.1 | Low | 167 Ų | 167 | 96.9 Ų | 96.9 | 63% | 0.63 | 46% | 0.463 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -86.6 | -171.3 | -176.1 | 173.6 | -0.7 | 109.3 | E1053 V1054 L1059 E1060 T1061 | E1053-R1057 WeakPolarHBondContact O-CA 3.19Å; E1053-R1057 WeakPolarHBondContact O-CB 3.34Å; E1053-R1057 WeakPolarHBondContact O-CG 3Å; E1053-R1057 CovalentContact O-N 1.79Å; E1053-R1057 PolarHBondContact O-N 2.69Å; V1054-R1057 CarbonylContact O-C 3.03Å; V1054-R1057 PolarHBondContact O-N 2.86Å; R1057-L1059 VanDerWaalsContact C-N 3.34Å; R1057-E1060 CarbonylContact O-C 3.56Å; R1057-E1060 PolarHBondContact O-N 3.39Å; R1057-T1061 WeakPolarHBondContact O-CA 2.29Å; R1057-T1061 WeakPolarHBondContact O-CB 2.67Å; R1057-T1061 PolarHBondContact O-N 2.79Å; R1057-T1061 CovalentContact O-OG1 1.66Å; R1057-T1061 PolarHBondContact O-OG1 2.8Å | |
| 1058 | R | 65.5 | Low | 65.6 | Low | 161 Ų | 161 | 95.7 Ų | 95.7 | 61% | 0.608 | 46% | 0.462 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -106.2 | -178.4 | -177.3 | -178.2 | 1 | 110.8 | V1054 A1055 K1056 T1061 E1062 | V1054-R1058 HydrophobicContact CG1-CB 4.18Å; V1054-R1058 HydrophobicContact CG1-CG 3.8Å; V1054-R1058 CarbonylContact O-C 3.04Å; V1054-R1058 WeakPolarHBondContact O-CA 2.83Å; V1054-R1058 WeakPolarHBondContact O-CB 3.04Å; V1054-R1058 WeakPolarHBondContact O-CG 3.34Å; V1054-R1058 CovalentContact O-N 1.82Å; V1054-R1058 PolarHBondContact O-N 2.7Å; A1055-R1058 CarbonylContact O-C 3.06Å; A1055-R1058 VanDerWaalsContact O-C 3.22Å; K1056-R1058 VanDerWaalsContact C-N 3.31Å; R1058-T1061 WeakPolarHBondContact CA-OG1 2.64Å; R1058-T1061 PolarHBondContact N-OG1 2.81Å; R1058-T1061 CarbonylContact O-C 2.91Å; R1058-T1061 VanDerWaalsContact O-C 3.27Å; R1058-T1061 PolarHBondContact O-N 3.41Å; R1058-E1062 WeakPolarHBondContact O-CA 2.45Å; R1058-E1062 WeakPolarHBondContact O-CB 3.48Å; R1058-E1062 WeakPolarHBondContact O-CG 2.45Å; R1058-E1062 PolarHBondContact O-N 3.38Å | |
| 1059 | L | 59.1 | Low | 65.9 | Low | 100 Ų | 100 | 99.2 Ų | 99.2 | 52% | 0.524 | 47% | 0.474 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -80.4 | 167.1 | 0 | 0 | 0 | 111 | A1055 K1056 R1057 E1062 A1063 | A1055-L1059 HydrophobicContact CB-CD1 4.16Å; A1055-L1059 HydrophobicContact CB-CG 4.4Å; A1055-L1059 WeakPolarHBondContact O-CA 2.77Å; A1055-L1059 WeakPolarHBondContact O-CB 3.18Å; A1055-L1059 WeakPolarHBondContact O-CD1 3.3Å; A1055-L1059 WeakPolarHBondContact O-CG 3.44Å; A1055-L1059 PolarHBondContact O-N 2.73Å; K1056-L1059 VanDerWaalsContact C-N 3.31Å; K1056-L1059 CarbonylContact O-C 2.93Å; K1056-L1059 VanDerWaalsContact O-CA 3.31Å; K1056-L1059 WeakPolarHBondContact O-CA 2.23Å; K1056-L1059 WeakPolarHBondContact O-CB 3.38Å; K1056-L1059 PolarHBondContact O-N 3.2Å; K1056-L1059 VanDerWaalsContact O-N 3.14Å; R1057-L1059 VanDerWaalsContact C-N 3.34Å; L1059-E1062 CarbonylContact O-C 3.03Å; L1059-A1063 WeakPolarHBondContact O-CA 3.1Å; L1059-A1063 WeakPolarHBondContact O-CB 2.41Å; L1059-A1063 PolarHBondContact O-N 3.38Å | |
| 1060 | E | 70.8 | Confident | 65.8 | Low | 95 Ų | 95 | 94 Ų | 94 | 44% | 0.444 | 47% | 0.465 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -82.2 | 176.4 | 172.2 | 0 | 0 | 109.4 | K1056 R1057 A1063 S1064 | K1056-E1060 WeakPolarHBondContact CE-OE1 2.96Å; K1056-E1060 HydrophobicContact CG-CG 3.92Å; K1056-E1060 IonicContact NZ-OE1 3.42Å; K1056-E1060 WeakPolarHBondContact O-CA 3.22Å; K1056-E1060 WeakPolarHBondContact O-CB 2.79Å; K1056-E1060 WeakPolarHBondContact O-CG 2.78Å; K1056-E1060 CovalentContact O-N 1.81Å; K1056-E1060 PolarHBondContact O-N 3.46Å; R1057-E1060 CarbonylContact O-C 3.56Å; R1057-E1060 PolarHBondContact O-N 3.39Å; E1060-A1063 CarbonylContact O-C 3.54Å; E1060-A1063 VanDerWaalsContact O-CA 3.24Å; E1060-A1063 WeakPolarHBondContact O-CA 3.36Å; E1060-A1063 WeakPolarHBondContact O-CB 2.66Å; E1060-A1063 PolarHBondContact O-N 2.65Å; E1060-A1063 VanDerWaalsContact O-N 3.14Å; E1060-S1064 WeakPolarHBondContact O-CA 2.29Å; E1060-S1064 WeakPolarHBondContact O-CB 2.7Å; E1060-S1064 PolarHBondContact O-N 3.48Å | |
| 1061 | T | 68.8 | Low | 66.4 | Low | 67 Ų | 67 | 91.6 Ų | 91.6 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -10.9 | 0 | 0 | 0 | 0 | 108.7 | R1057 R1058 S1064 E1065 | R1057-T1061 WeakPolarHBondContact O-CA 2.29Å; R1057-T1061 WeakPolarHBondContact O-CB 2.67Å; R1057-T1061 PolarHBondContact O-N 2.79Å; R1057-T1061 CovalentContact O-OG1 1.66Å; R1057-T1061 PolarHBondContact O-OG1 2.8Å; R1058-T1061 WeakPolarHBondContact CA-OG1 2.64Å; R1058-T1061 PolarHBondContact N-OG1 2.81Å; R1058-T1061 CarbonylContact O-C 2.91Å; R1058-T1061 VanDerWaalsContact O-C 3.27Å; R1058-T1061 PolarHBondContact O-N 3.41Å; T1061-S1064 CarbonylContact O-C 3.28Å; T1061-S1064 WeakPolarHBondContact O-CA 3.1Å; T1061-S1064 PolarHBondContact O-N 2.98Å; T1061-S1064 VanDerWaalsContact O-N 3.1Å; T1061-E1065 WeakPolarHBondContact O-CA 3.36Å; T1061-E1065 WeakPolarHBondContact O-CB 3.24Å; T1061-E1065 VanDerWaalsContact O-CG 3.28Å; T1061-E1065 WeakPolarHBondContact O-CG 2.67Å; T1061-E1065 PolarHBondContact O-N 3.37Å | |
| 1062 | E | 64.8 | Low | 66.9 | Low | 77 Ų | 77 | 92.2 Ų | 92.2 | 36% | 0.36 | 46% | 0.46 | S | S | . | . | H | α-helix | 0 | -33.5 | 0 | -90.6 | 178 | -179.9 | 0 | 0 | 111.8 | R1058 L1059 E1065 R1066 | R1058-E1062 WeakPolarHBondContact O-CA 2.45Å; R1058-E1062 WeakPolarHBondContact O-CB 3.48Å; R1058-E1062 WeakPolarHBondContact O-CG 2.45Å; R1058-E1062 PolarHBondContact O-N 3.38Å; L1059-E1062 CarbonylContact O-C 3.03Å; E1062-E1065 CarbonylContact O-C 3.4Å; E1062-R1066 HydrophobicContact CB-CG 4.07Å; E1062-R1066 WeakPolarHBondContact O-CA 2.65Å; E1062-R1066 WeakPolarHBondContact O-CB 2.31Å; E1062-R1066 WeakPolarHBondContact O-CG 2.21Å; E1062-R1066 PolarHBondContact O-N 3.19Å | |
| 1063 | A | 64.7 | Low | 66.9 | Low | 45 Ų | 45 | 90.4 Ų | 90.4 | 37% | 0.372 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.2 | 0 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1059 E1060 R1066 L1067 | L1059-A1063 WeakPolarHBondContact O-CA 3.1Å; L1059-A1063 WeakPolarHBondContact O-CB 2.41Å; L1059-A1063 PolarHBondContact O-N 3.38Å; E1060-A1063 CarbonylContact O-C 3.54Å; E1060-A1063 VanDerWaalsContact O-CA 3.24Å; E1060-A1063 WeakPolarHBondContact O-CA 3.36Å; E1060-A1063 WeakPolarHBondContact O-CB 2.66Å; E1060-A1063 PolarHBondContact O-N 2.65Å; E1060-A1063 VanDerWaalsContact O-N 3.14Å; A1063-R1066 CarbonylContact O-C 3.39Å; A1063-R1066 PolarHBondContact O-N 2.93Å; A1063-L1067 WeakPolarHBondContact O-CA 2.07Å; A1063-L1067 WeakPolarHBondContact O-CB 2.38Å; A1063-L1067 PolarHBondContact O-N 3.33Å |
| 1064 | S | 74 | Confident | 67.1 | Low | 51 Ų | 51 | 88.2 Ų | 88.2 | 36% | 0.357 | 45% | 0.451 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 167.5 | 0 | 0 | 0 | 0 | 109.4 | E1060 T1061 R1066 L1067 D1068 | E1060-S1064 WeakPolarHBondContact O-CA 2.29Å; E1060-S1064 WeakPolarHBondContact O-CB 2.7Å; E1060-S1064 PolarHBondContact O-N 3.48Å; T1061-S1064 CarbonylContact O-C 3.28Å; T1061-S1064 WeakPolarHBondContact O-CA 3.1Å; T1061-S1064 PolarHBondContact O-N 2.98Å; T1061-S1064 VanDerWaalsContact O-N 3.1Å; S1064-R1066 VanDerWaalsContact C-N 3.26Å; S1064-L1067 VanDerWaalsContact CA-CB 3.41Å; S1064-L1067 CarbonylContact O-C 3.49Å; S1064-L1067 WeakPolarHBondContact O-CA 3.36Å; S1064-L1067 WeakPolarHBondContact O-CB 2.35Å; S1064-L1067 PolarHBondContact O-N 2.94Å; S1064-D1068 WeakPolarHBondContact O-CA 2.29Å; S1064-D1068 WeakPolarHBondContact O-CB 2.95Å; S1064-D1068 PolarHBondContact O-N 2.94Å | |
| 1065 | E | 67.3 | Low | 67.3 | Low | 110 Ų | 110 | 92.1 Ų | 92.1 | 51% | 0.514 | 46% | 0.46 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -91.8 | 178 | -179.8 | 0 | 0 | 109.3 | T1061 E1062 L1067 D1068 Q1069 | T1061-E1065 WeakPolarHBondContact O-CA 3.36Å; T1061-E1065 WeakPolarHBondContact O-CB 3.24Å; T1061-E1065 VanDerWaalsContact O-CG 3.28Å; T1061-E1065 WeakPolarHBondContact O-CG 2.67Å; T1061-E1065 PolarHBondContact O-N 3.37Å; E1062-E1065 CarbonylContact O-C 3.4Å; E1065-L1067 VanDerWaalsContact C-N 3.25Å; E1065-D1068 CarbonylContact O-C 3.15Å; E1065-D1068 PolarHBondContact O-N 3.23Å; E1065-Q1069 VanDerWaalsContact C-CB 3.41Å; E1065-Q1069 WeakPolarHBondContact O-CA 2.15Å; E1065-Q1069 WeakPolarHBondContact O-CB 2.07Å; E1065-Q1069 PolarHBondContact O-N 3.45Å | |
| 1066 | R | 61.5 | Low | 67.7 | Low | 168 Ų | 168 | 93.2 Ų | 93.2 | 63% | 0.634 | 46% | 0.464 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -73.1 | -105.9 | -176.3 | 152.9 | 0.7 | 111.4 | E1062 A1063 S1064 Q1069 A1070 | E1062-R1066 HydrophobicContact CB-CG 4.07Å; E1062-R1066 WeakPolarHBondContact O-CA 2.65Å; E1062-R1066 WeakPolarHBondContact O-CB 2.31Å; E1062-R1066 WeakPolarHBondContact O-CG 2.21Å; E1062-R1066 PolarHBondContact O-N 3.19Å; A1063-R1066 CarbonylContact O-C 3.39Å; A1063-R1066 PolarHBondContact O-N 2.93Å; S1064-R1066 VanDerWaalsContact C-N 3.26Å; R1066-Q1069 CarbonylContact O-C 3.12Å; R1066-Q1069 VanDerWaalsContact O-C 3.25Å; R1066-A1070 WeakPolarHBondContact O-CA 2.48Å; R1066-A1070 WeakPolarHBondContact O-CB 2.59Å; R1066-A1070 PolarHBondContact O-N 3.34Å | |
| 1067 | L | 72.1 | Confident | 67.5 | Low | 120 Ų | 120 | 90.6 Ų | 90.6 | 63% | 0.628 | 46% | 0.456 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -148 | 105.7 | 0 | 0 | 0 | 109.7 | A1063 S1064 E1065 A1070 S1071 | A1063-L1067 WeakPolarHBondContact O-CA 2.07Å; A1063-L1067 WeakPolarHBondContact O-CB 2.38Å; A1063-L1067 PolarHBondContact O-N 3.33Å; S1064-L1067 VanDerWaalsContact CA-CB 3.41Å; S1064-L1067 CarbonylContact O-C 3.49Å; S1064-L1067 WeakPolarHBondContact O-CA 3.36Å; S1064-L1067 WeakPolarHBondContact O-CB 2.35Å; S1064-L1067 PolarHBondContact O-N 2.94Å; E1065-L1067 VanDerWaalsContact C-N 3.25Å; L1067-A1070 CarbonylContact O-C 3.19Å; L1067-A1070 WeakPolarHBondContact O-CA 2.17Å; L1067-A1070 WeakPolarHBondContact O-CB 3.3Å; L1067-A1070 PolarHBondContact O-N 3.1Å; L1067-S1071 VanDerWaalsContact C-N 3.27Å; L1067-S1071 WeakPolarHBondContact O-CA 2.57Å; L1067-S1071 WeakPolarHBondContact O-CB 3.45Å; L1067-S1071 PolarHBondContact O-N 2.68Å | |
| 1068 | D | 72.5 | Confident | 67.7 | Low | 88 Ų | 88 | 88 Ų | 88 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -78.4 | -18.3 | 0 | 0 | 0 | 109.7 | S1064 E1065 S1071 E1072 | S1064-D1068 WeakPolarHBondContact O-CA 2.29Å; S1064-D1068 WeakPolarHBondContact O-CB 2.95Å; S1064-D1068 PolarHBondContact O-N 2.94Å; E1065-D1068 CarbonylContact O-C 3.15Å; E1065-D1068 PolarHBondContact O-N 3.23Å; D1068-S1071 WeakPolarHBondContact CA-OG 3.4Å; D1068-S1071 CarbonylContact O-C 3.29Å; D1068-S1071 VanDerWaalsContact O-CA 3.27Å; D1068-S1071 WeakPolarHBondContact O-CA 2.66Å; D1068-S1071 WeakPolarHBondContact O-CB 3.3Å; D1068-S1071 PolarHBondContact O-N 2.89Å; D1068-S1071 PolarHBondContact O-OG 3.31Å; D1068-E1072 VanDerWaalsContact C-N 3.33Å; D1068-E1072 WeakPolarHBondContact O-CA 2.44Å; D1068-E1072 WeakPolarHBondContact O-CB 2.54Å; D1068-E1072 PolarHBondContact O-N 3.27Å | |
| 1069 | Q | 65 | Low | 68 | Low | 111 Ų | 111 | 86 Ų | 86 | 52% | 0.519 | 45% | 0.449 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -122.6 | 172.5 | 8.4 | 0 | 0 | 109.2 | E1065 R1066 S1071 E1072 S1073 | E1065-Q1069 VanDerWaalsContact C-CB 3.41Å; E1065-Q1069 WeakPolarHBondContact O-CA 2.15Å; E1065-Q1069 WeakPolarHBondContact O-CB 2.07Å; E1065-Q1069 PolarHBondContact O-N 3.45Å; R1066-Q1069 CarbonylContact O-C 3.12Å; R1066-Q1069 VanDerWaalsContact O-C 3.25Å; Q1069-S1071 VanDerWaalsContact C-N 3.32Å; Q1069-E1072 CarbonylContact O-C 3.2Å; Q1069-E1072 VanDerWaalsContact O-C 3.31Å; Q1069-E1072 PolarHBondContact O-N 3.45Å; Q1069-S1073 WeakPolarHBondContact O-CA 3.34Å; Q1069-S1073 WeakPolarHBondContact O-CB 2.29Å; Q1069-S1073 PolarHBondContact O-N 2.81Å; Q1069-S1073 PolarHBondContact O-OG 3.47Å | |
| 1070 | A | 61.4 | Low | 68.2 | Low | 48 Ų | 48 | 85.8 Ų | 85.8 | 40% | 0.397 | 45% | 0.447 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1066 L1067 S1073 S1074 | R1066-A1070 WeakPolarHBondContact O-CA 2.48Å; R1066-A1070 WeakPolarHBondContact O-CB 2.59Å; R1066-A1070 PolarHBondContact O-N 3.34Å; L1067-A1070 CarbonylContact O-C 3.19Å; L1067-A1070 WeakPolarHBondContact O-CA 2.17Å; L1067-A1070 WeakPolarHBondContact O-CB 3.3Å; L1067-A1070 PolarHBondContact O-N 3.1Å; A1070-S1073 CarbonylContact O-C 3.12Å; A1070-S1074 WeakPolarHBondContact O-CA 1.76Å; A1070-S1074 WeakPolarHBondContact O-CB 2.35Å; A1070-S1074 PolarHBondContact O-N 3.41Å | |
| 1071 | S | 74.8 | Confident | 68.1 | Low | 60 Ų | 60 | 85 Ų | 85 | 42% | 0.42 | 44% | 0.441 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 85.3 | 0 | 0 | 0 | 0 | 109.8 | L1067 D1068 Q1069 S1074 R1075 | L1067-S1071 VanDerWaalsContact C-N 3.27Å; L1067-S1071 WeakPolarHBondContact O-CA 2.57Å; L1067-S1071 WeakPolarHBondContact O-CB 3.45Å; L1067-S1071 PolarHBondContact O-N 2.68Å; D1068-S1071 WeakPolarHBondContact CA-OG 3.4Å; D1068-S1071 CarbonylContact O-C 3.29Å; D1068-S1071 VanDerWaalsContact O-CA 3.27Å; D1068-S1071 WeakPolarHBondContact O-CA 2.66Å; D1068-S1071 WeakPolarHBondContact O-CB 3.3Å; D1068-S1071 PolarHBondContact O-N 2.89Å; D1068-S1071 PolarHBondContact O-OG 3.31Å; Q1069-S1071 VanDerWaalsContact C-N 3.32Å; S1071-S1074 VanDerWaalsContact C-CB 3.42Å; S1071-S1074 VanDerWaalsContact C-N 3.27Å; S1071-S1074 VanDerWaalsContact CA-CB 3.44Å; S1071-S1074 CarbonylContact O-C 3.51Å; S1071-S1074 VanDerWaalsContact O-C 3.25Å; S1071-S1074 VanDerWaalsContact O-CA 3.28Å; S1071-S1074 WeakPolarHBondContact O-CA 3.25Å; S1071-S1074 WeakPolarHBondContact O-CB 3.42Å; S1071-S1074 PolarHBondContact O-N 2.81Å; S1071-S1074 VanDerWaalsContact O-N 3.14Å; S1071-R1075 PolarHBondContact O-N 3.07Å | |
| 1072 | E | 71.7 | Confident | 68.3 | Low | 90 Ų | 90 | 84.8 Ų | 84.8 | 42% | 0.421 | 45% | 0.445 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -161.3 | 92.4 | -163.4 | 0 | 0 | 109.5 | D1068 Q1069 S1074 R1075 V1076 | D1068-E1072 VanDerWaalsContact C-N 3.33Å; D1068-E1072 WeakPolarHBondContact O-CA 2.44Å; D1068-E1072 WeakPolarHBondContact O-CB 2.54Å; D1068-E1072 PolarHBondContact O-N 3.27Å; Q1069-E1072 CarbonylContact O-C 3.2Å; Q1069-E1072 VanDerWaalsContact O-C 3.31Å; Q1069-E1072 PolarHBondContact O-N 3.45Å; E1072-S1074 PolarHBondContact O-N 2.95Å; E1072-R1075 CarbonylContact O-C 3.16Å; E1072-R1075 VanDerWaalsContact O-CA 3.27Å; E1072-R1075 WeakPolarHBondContact O-CA 3.14Å; E1072-R1075 WeakPolarHBondContact O-CB 3.48Å; E1072-R1075 PolarHBondContact O-N 3.2Å; E1072-R1075 IonicContact OE1-CZ 3.49Å; E1072-R1075 IonicContact OE1-NE 3.33Å; E1072-R1075 IonicContact OE1-NH2 3.26Å; E1072-R1075 PolarHBondContact OE1-NH2 3.13Å; E1072-V1076 HydrophobicContact CG-CG2 4.26Å; E1072-V1076 VanDerWaalsContact O-CA 3.23Å; E1072-V1076 WeakPolarHBondContact O-CA 3.48Å; E1072-V1076 WeakPolarHBondContact O-CB 2.43Å; E1072-V1076 WeakPolarHBondContact O-CG2 2.88Å; E1072-V1076 PolarHBondContact O-N 2.85Å | |
| 1073 | S | 61.1 | Low | 68.5 | Low | 54 Ų | 54 | 84.4 Ų | 84.4 | 38% | 0.378 | 45% | 0.448 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -77.6 | 0 | 0 | 0 | 0 | 111.7 | Q1069 A1070 V1076 V1077 | Q1069-S1073 WeakPolarHBondContact O-CA 3.34Å; Q1069-S1073 WeakPolarHBondContact O-CB 2.29Å; Q1069-S1073 PolarHBondContact O-N 2.81Å; Q1069-S1073 PolarHBondContact O-OG 3.47Å; A1070-S1073 CarbonylContact O-C 3.12Å; S1073-V1076 CarbonylContact O-C 3.33Å; S1073-V1077 WeakPolarHBondContact O-CA 3.48Å; S1073-V1077 WeakPolarHBondContact O-CB 2.8Å; S1073-V1077 WeakPolarHBondContact O-CG2 3.31Å; S1073-V1077 PolarHBondContact O-N 3.37Å | |
| 1074 | S | 69.5 | Low | 68.3 | Low | 50 Ų | 50 | 84.8 Ų | 84.8 | 35% | 0.35 | 45% | 0.446 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -149.9 | 0 | 0 | 0 | 0 | 110.4 | A1070 S1071 E1072 V1077 E1078 | A1070-S1074 WeakPolarHBondContact O-CA 1.76Å; A1070-S1074 WeakPolarHBondContact O-CB 2.35Å; A1070-S1074 PolarHBondContact O-N 3.41Å; S1071-S1074 VanDerWaalsContact C-CB 3.42Å; S1071-S1074 VanDerWaalsContact C-N 3.27Å; S1071-S1074 VanDerWaalsContact CA-CB 3.44Å; S1071-S1074 CarbonylContact O-C 3.51Å; S1071-S1074 VanDerWaalsContact O-C 3.25Å; S1071-S1074 VanDerWaalsContact O-CA 3.28Å; S1071-S1074 WeakPolarHBondContact O-CA 3.25Å; S1071-S1074 WeakPolarHBondContact O-CB 3.42Å; S1071-S1074 PolarHBondContact O-N 2.81Å; S1071-S1074 VanDerWaalsContact O-N 3.14Å; E1072-S1074 PolarHBondContact O-N 2.95Å; S1074-V1077 CarbonylContact O-C 3.24Å; S1074-E1078 WeakPolarHBondContact O-CA 3.48Å; S1074-E1078 WeakPolarHBondContact O-CB 3.34Å; S1074-E1078 PolarHBondContact O-N 3.46Å | |
| 1075 | R | 73.1 | Confident | 68.2 | Low | 138 Ų | 138 | 84.6 Ų | 84.6 | 52% | 0.521 | 45% | 0.447 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -161.7 | 178.5 | 86.1 | 152.5 | -1.4 | 109.9 | S1071 E1072 E1078 E1079 | S1071-R1075 PolarHBondContact O-N 3.07Å; E1072-R1075 CarbonylContact O-C 3.16Å; E1072-R1075 VanDerWaalsContact O-CA 3.27Å; E1072-R1075 WeakPolarHBondContact O-CA 3.14Å; E1072-R1075 WeakPolarHBondContact O-CB 3.48Å; E1072-R1075 PolarHBondContact O-N 3.2Å; E1072-R1075 IonicContact OE1-CZ 3.49Å; E1072-R1075 IonicContact OE1-NE 3.33Å; E1072-R1075 IonicContact OE1-NH2 3.26Å; E1072-R1075 PolarHBondContact OE1-NH2 3.13Å; R1075-E1078 CarbonylContact O-C 3.01Å; R1075-E1078 WeakPolarHBondContact O-CA 2.8Å; R1075-E1078 WeakPolarHBondContact O-CB 2.77Å; R1075-E1078 PolarHBondContact O-N 3.2Å; R1075-E1079 WeakPolarHBondContact O-CB 3.18Å; R1075-E1079 PolarHBondContact O-N 2.91Å | |
| 1076 | V | 70 | Confident | 68.4 | Low | 54 Ų | 54 | 86.8 Ų | 86.8 | 33% | 0.327 | 46% | 0.455 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 172.3 | 0 | 0 | 0 | 0 | 109.6 | E1072 S1073 E1078 E1079 L1080 | E1072-V1076 HydrophobicContact CG-CG2 4.26Å; E1072-V1076 VanDerWaalsContact O-CA 3.23Å; E1072-V1076 WeakPolarHBondContact O-CA 3.48Å; E1072-V1076 WeakPolarHBondContact O-CB 2.43Å; E1072-V1076 WeakPolarHBondContact O-CG2 2.88Å; E1072-V1076 PolarHBondContact O-N 2.85Å; S1073-V1076 CarbonylContact O-C 3.33Å; V1076-E1078 PolarHBondContact O-N 3.03Å; V1076-E1079 CarbonylContact O-C 3Å; V1076-E1079 VanDerWaalsContact O-C 3.26Å; V1076-E1079 PolarHBondContact O-N 3.3Å; V1076-E1079 VanDerWaalsContact O-N 3.11Å; V1076-L1080 HydrophobicContact CG1-CB 4.48Å; V1076-L1080 HydrophobicContact CG1-CD1 3.23Å; V1076-L1080 HydrophobicContact CG1-CG 3.57Å; V1076-L1080 WeakPolarHBondContact O-CA 2.61Å; V1076-L1080 WeakPolarHBondContact O-CB 3.19Å; V1076-L1080 WeakPolarHBondContact O-CG 2.52Å; V1076-L1080 PolarHBondContact O-N 3.38Å | |
| 1077 | V | 62.4 | Low | 68.8 | Low | 49 Ų | 49 | 83.4 Ų | 83.4 | 30% | 0.297 | 45% | 0.449 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 171.6 | 0 | 0 | 0 | 0 | 110.1 | S1073 S1074 L1080 R1081 | S1073-V1077 WeakPolarHBondContact O-CA 3.48Å; S1073-V1077 WeakPolarHBondContact O-CB 2.8Å; S1073-V1077 WeakPolarHBondContact O-CG2 3.31Å; S1073-V1077 PolarHBondContact O-N 3.37Å; S1074-V1077 CarbonylContact O-C 3.24Å; V1077-L1080 CarbonylContact O-C 3.23Å; V1077-R1081 VanDerWaalsContact C-CB 3.43Å; V1077-R1081 HydrophobicContact CB-CG 4.45Å; V1077-R1081 VanDerWaalsContact CG1-CD 3.45Å; V1077-R1081 HydrophobicContact CG1-CG 3.42Å; V1077-R1081 VanDerWaalsContact CG1-CG 3.42Å; V1077-R1081 WeakPolarHBondContact O-CA 2.51Å; V1077-R1081 WeakPolarHBondContact O-CB 2.74Å; V1077-R1081 VanDerWaalsContact O-CD 3.28Å; V1077-R1081 WeakPolarHBondContact O-CD 2.55Å; V1077-R1081 WeakPolarHBondContact O-CG 3.03Å; V1077-R1081 PolarHBondContact O-N 3.45Å | |
| 1078 | E | 71.8 | Confident | 68.6 | Low | 113 Ų | 113 | 80.9 Ų | 80.9 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | H | α-helix | 0 | -38.8 | 0 | -119.3 | 165.3 | -175.6 | 0 | 0 | 110.4 | S1074 R1075 V1076 R1081 A1082 | S1074-E1078 WeakPolarHBondContact O-CA 3.48Å; S1074-E1078 WeakPolarHBondContact O-CB 3.34Å; S1074-E1078 PolarHBondContact O-N 3.46Å; R1075-E1078 CarbonylContact O-C 3.01Å; R1075-E1078 WeakPolarHBondContact O-CA 2.8Å; R1075-E1078 WeakPolarHBondContact O-CB 2.77Å; R1075-E1078 PolarHBondContact O-N 3.2Å; V1076-E1078 PolarHBondContact O-N 3.03Å; E1078-R1081 CarbonylContact O-C 1.83Å; E1078-R1081 WeakPolarHBondContact O-CB 2.94Å; E1078-R1081 PolarHBondContact O-N 2.76Å; E1078-A1082 WeakPolarHBondContact O-CB 3.12Å; E1078-A1082 PolarHBondContact O-N 3.46Å | |
| 1079 | E | 71 | Confident | 68.7 | Low | 118 Ų | 118 | 79.5 Ų | 79.5 | 55% | 0.551 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -73.6 | 0 | 176.7 | -100.5 | 178.9 | 179.7 | 0 | 0 | 110.1 | R1075 V1076 A1082 T1083 | R1075-E1079 WeakPolarHBondContact O-CB 3.18Å; R1075-E1079 PolarHBondContact O-N 2.91Å; V1076-E1079 CarbonylContact O-C 3Å; V1076-E1079 VanDerWaalsContact O-C 3.26Å; V1076-E1079 PolarHBondContact O-N 3.3Å; V1076-E1079 VanDerWaalsContact O-N 3.11Å; E1079-A1082 CarbonylContact O-C 3.02Å; E1079-A1082 WeakPolarHBondContact O-CA 2.79Å; E1079-A1082 VanDerWaalsContact O-CB 3.27Å; E1079-A1082 WeakPolarHBondContact O-CB 2.34Å; E1079-A1082 PolarHBondContact O-N 2.85Å; E1079-T1083 VanDerWaalsContact C-OG1 3.22Å; E1079-T1083 PolarHBondContact O-N 3.13Å; E1079-T1083 PolarHBondContact O-OG1 2.97Å |
| 1080 | L | 64.4 | Low | 68.9 | Low | 95 Ų | 95 | 79.1 Ų | 79.1 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -76 | 170.9 | 0 | 0 | 0 | 111.5 | V1076 V1077 A1082 T1083 V1084 | V1076-L1080 HydrophobicContact CG1-CB 4.48Å; V1076-L1080 HydrophobicContact CG1-CD1 3.23Å; V1076-L1080 HydrophobicContact CG1-CG 3.57Å; V1076-L1080 WeakPolarHBondContact O-CA 2.61Å; V1076-L1080 WeakPolarHBondContact O-CB 3.19Å; V1076-L1080 WeakPolarHBondContact O-CG 2.52Å; V1076-L1080 PolarHBondContact O-N 3.38Å; V1077-L1080 CarbonylContact O-C 3.23Å; L1080-A1082 VanDerWaalsContact C-N 3.3Å; L1080-T1083 WeakPolarHBondContact CA-OG1 2.95Å; L1080-T1083 PolarHBondContact N-OG1 3.01Å; L1080-T1083 CarbonylContact O-C 3.47Å; L1080-T1083 VanDerWaalsContact O-C 3.28Å; L1080-T1083 PolarHBondContact O-N 3.45Å; L1080-T1083 PolarHBondContact O-OG1 3.23Å; L1080-V1084 VanDerWaalsContact C-CG2 3.43Å; L1080-V1084 HydrophobicContact CB-CG2 4.35Å; L1080-V1084 WeakPolarHBondContact O-CA 3.45Å; L1080-V1084 WeakPolarHBondContact O-CB 2.81Å; L1080-V1084 WeakPolarHBondContact O-CG2 2.95Å; L1080-V1084 PolarHBondContact O-N 2.92Å | |
| 1081 | R | 67.7 | Low | 69.1 | Low | 80 Ų | 80 | 80 Ų | 80 | 30% | 0.302 | 43% | 0.433 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -85.5 | -174.1 | -177.5 | 173 | 0.5 | 110.3 | V1077 E1078 V1084 A1085 Q1258 E1262 | V1077-R1081 VanDerWaalsContact C-CB 3.43Å; V1077-R1081 HydrophobicContact CB-CG 4.45Å; V1077-R1081 VanDerWaalsContact CG1-CD 3.45Å; V1077-R1081 HydrophobicContact CG1-CG 3.42Å; V1077-R1081 VanDerWaalsContact CG1-CG 3.42Å; V1077-R1081 WeakPolarHBondContact O-CA 2.51Å; V1077-R1081 WeakPolarHBondContact O-CB 2.74Å; V1077-R1081 VanDerWaalsContact O-CD 3.28Å; V1077-R1081 WeakPolarHBondContact O-CD 2.55Å; V1077-R1081 WeakPolarHBondContact O-CG 3.03Å; V1077-R1081 PolarHBondContact O-N 3.45Å; E1078-R1081 CarbonylContact O-C 1.83Å; E1078-R1081 WeakPolarHBondContact O-CB 2.94Å; E1078-R1081 PolarHBondContact O-N 2.76Å; R1081-V1084 CarbonylContact O-C 3Å; R1081-V1084 PolarHBondContact O-N 2.86Å; R1081-A1085 WeakPolarHBondContact O-CA 3.38Å; R1081-A1085 WeakPolarHBondContact O-CB 2.98Å; R1081-A1085 PolarHBondContact O-N 3.15Å; R1081-Q1258 VanDerWaalsContact CZ-NE2 3.34Å; R1081-Q1258 VanDerWaalsContact NH1-CD 3.27Å; R1081-E1262 IonicContact CZ-OE1 2.73Å; R1081-E1262 IonicContact NH2-OE1 3.21Å; R1081-E1262 PolarHBondContact NH2-OE1 3.01Å | |
| 1082 | A | 72.8 | Confident | 69 | Low | 61 Ų | 61 | 79.1 Ų | 79.1 | 50% | 0.504 | 43% | 0.429 | S | S | . | . | H | α-helix | 0 | -40.5 | 0 | 0 | 0 | 0 | 0 | 0 | 110.2 | E1078 E1079 L1080 V1084 A1085 K1086 | E1078-A1082 WeakPolarHBondContact O-CB 3.12Å; E1078-A1082 PolarHBondContact O-N 3.46Å; E1079-A1082 CarbonylContact O-C 3.02Å; E1079-A1082 WeakPolarHBondContact O-CA 2.79Å; E1079-A1082 VanDerWaalsContact O-CB 3.27Å; E1079-A1082 WeakPolarHBondContact O-CB 2.34Å; E1079-A1082 PolarHBondContact O-N 2.85Å; L1080-A1082 VanDerWaalsContact C-N 3.3Å; A1082-V1084 VanDerWaalsContact C-N 3.33Å; A1082-A1085 WeakPolarHBondContact O-CB 3.21Å; A1082-A1085 PolarHBondContact O-N 3.36Å; A1082-K1086 PolarHBondContact O-N 3.35Å | |
| 1083 | T | 69.5 | Low | 69 | Low | 69 Ų | 69 | 81.5 Ų | 81.5 | 42% | 0.423 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -73.9 | -34.5 | 177.3 | 12.1 | 0 | 0 | 0 | 0 | 110.2 | E1079 L1080 A1085 K1086 L1087 | E1079-T1083 VanDerWaalsContact C-OG1 3.22Å; E1079-T1083 PolarHBondContact O-N 3.13Å; E1079-T1083 PolarHBondContact O-OG1 2.97Å; L1080-T1083 WeakPolarHBondContact CA-OG1 2.95Å; L1080-T1083 PolarHBondContact N-OG1 3.01Å; L1080-T1083 CarbonylContact O-C 3.47Å; L1080-T1083 VanDerWaalsContact O-C 3.28Å; L1080-T1083 PolarHBondContact O-N 3.45Å; L1080-T1083 PolarHBondContact O-OG1 3.23Å; T1083-A1085 PolarHBondContact O-N 2.1Å; T1083-K1086 CarbonylContact O-C 2.98Å; T1083-K1086 WeakPolarHBondContact O-CA 2.47Å; T1083-K1086 WeakPolarHBondContact O-CB 2.62Å; T1083-K1086 PolarHBondContact O-N 2.86Å; T1083-K1086 VanDerWaalsContact O-N 3.08Å; T1083-L1087 WeakPolarHBondContact O-CA 2.89Å; T1083-L1087 VanDerWaalsContact O-CB 3.28Å; T1083-L1087 WeakPolarHBondContact O-CB 3.41Å; T1083-L1087 WeakPolarHBondContact O-CG 3.3Å; T1083-L1087 PolarHBondContact O-N 3.43Å |
| 1084 | V | 61.2 | Low | 69.4 | Low | 54 Ų | 54 | 83.9 Ų | 83.9 | 33% | 0.327 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -71.4 | -30.1 | 175.3 | 170.7 | 0 | 0 | 0 | 0 | 109.5 | L1080 R1081 A1082 K1086 L1087 E1088 | L1080-V1084 VanDerWaalsContact C-CG2 3.43Å; L1080-V1084 HydrophobicContact CB-CG2 4.35Å; L1080-V1084 WeakPolarHBondContact O-CA 3.45Å; L1080-V1084 WeakPolarHBondContact O-CB 2.81Å; L1080-V1084 WeakPolarHBondContact O-CG2 2.95Å; L1080-V1084 PolarHBondContact O-N 2.92Å; R1081-V1084 CarbonylContact O-C 3Å; R1081-V1084 PolarHBondContact O-N 2.86Å; A1082-V1084 VanDerWaalsContact C-N 3.33Å; V1084-K1086 VanDerWaalsContact C-N 3.27Å; V1084-K1086 PolarHBondContact O-N 2.23Å; V1084-L1087 CarbonylContact O-C 2.17Å; V1084-L1087 VanDerWaalsContact O-C 3.22Å; V1084-L1087 PolarHBondContact O-N 2.34Å; V1084-L1087 VanDerWaalsContact O-N 3.14Å; V1084-E1088 HydrophobicContact CB-CG 4.45Å; V1084-E1088 HydrophobicContact CG1-CB 4.43Å; V1084-E1088 HydrophobicContact CG1-CG 3.25Å; V1084-E1088 WeakPolarHBondContact CG1-OE1 3.35Å; V1084-E1088 WeakPolarHBondContact O-CA 3.4Å; V1084-E1088 WeakPolarHBondContact O-CB 2.99Å; V1084-E1088 WeakPolarHBondContact O-CG 3.31Å; V1084-E1088 PolarHBondContact O-N 2.76Å |
| 1085 | A | 70.9 | Confident | 69.4 | Low | 46 Ų | 46 | 85.2 Ų | 85.2 | 38% | 0.38 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | R1081 A1082 T1083 L1087 E1088 A1089 | R1081-A1085 WeakPolarHBondContact O-CA 3.38Å; R1081-A1085 WeakPolarHBondContact O-CB 2.98Å; R1081-A1085 PolarHBondContact O-N 3.15Å; A1082-A1085 WeakPolarHBondContact O-CB 3.21Å; A1082-A1085 PolarHBondContact O-N 3.36Å; T1083-A1085 PolarHBondContact O-N 2.1Å; A1085-L1087 VanDerWaalsContact C-N 3.31Å; A1085-E1088 CarbonylContact O-C 3.53Å; A1085-E1088 PolarHBondContact O-N 2.27Å; A1085-A1089 WeakPolarHBondContact O-CA 2.94Å; A1085-A1089 WeakPolarHBondContact O-CB 3.37Å; A1085-A1089 PolarHBondContact O-N 3.2Å |
| 1086 | K | 72.9 | Confident | 69.4 | Low | 157 Ų | 157 | 83.5 Ų | 83.5 | 68% | 0.683 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.5 | -38.4 | 176.7 | -153.3 | -180 | 178 | -177.6 | 0 | 110.4 | A1082 T1083 V1084 E1088 A1089 E1090 | A1082-K1086 PolarHBondContact O-N 3.35Å; T1083-K1086 CarbonylContact O-C 2.98Å; T1083-K1086 WeakPolarHBondContact O-CA 2.47Å; T1083-K1086 WeakPolarHBondContact O-CB 2.62Å; T1083-K1086 PolarHBondContact O-N 2.86Å; T1083-K1086 VanDerWaalsContact O-N 3.08Å; V1084-K1086 VanDerWaalsContact C-N 3.27Å; V1084-K1086 PolarHBondContact O-N 2.23Å; K1086-E1088 VanDerWaalsContact C-N 3.31Å; K1086-A1089 WeakPolarHBondContact O-CB 3.34Å; K1086-A1089 PolarHBondContact O-N 3.14Å; K1086-E1090 WeakPolarHBondContact O-CB 3.18Å; K1086-E1090 PolarHBondContact O-N 3.32Å |
| 1087 | L | 69.4 | Low | 69.6 | Low | 96 Ų | 96 | 89.4 Ų | 89.4 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -77 | 0 | 177.9 | -75.9 | 170.5 | 0 | 0 | 0 | 111.1 | T1083 V1084 A1085 A1089 E1090 V1091 | T1083-L1087 WeakPolarHBondContact O-CA 2.89Å; T1083-L1087 VanDerWaalsContact O-CB 3.28Å; T1083-L1087 WeakPolarHBondContact O-CB 3.41Å; T1083-L1087 WeakPolarHBondContact O-CG 3.3Å; T1083-L1087 PolarHBondContact O-N 3.43Å; V1084-L1087 CarbonylContact O-C 2.17Å; V1084-L1087 VanDerWaalsContact O-C 3.22Å; V1084-L1087 PolarHBondContact O-N 2.34Å; V1084-L1087 VanDerWaalsContact O-N 3.14Å; A1085-L1087 VanDerWaalsContact C-N 3.31Å; L1087-A1089 VanDerWaalsContact C-N 3.28Å; L1087-E1090 CarbonylContact O-C 3.43Å; L1087-E1090 VanDerWaalsContact O-C 3.28Å; L1087-E1090 WeakPolarHBondContact O-CA 3.1Å; L1087-E1090 WeakPolarHBondContact O-CB 2.8Å; L1087-E1090 PolarHBondContact O-N 2.07Å; L1087-E1090 VanDerWaalsContact O-N 3.14Å; L1087-V1091 WeakPolarHBondContact O-CA 3.14Å; L1087-V1091 WeakPolarHBondContact O-CB 2.62Å; L1087-V1091 WeakPolarHBondContact O-CG2 3.01Å; L1087-V1091 PolarHBondContact O-N 2.75Å |
| 1088 | E | 68.4 | Low | 69.9 | Low | 68 Ų | 68 | 91.2 Ų | 91.2 | 32% | 0.318 | 47% | 0.474 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -79.8 | 177.4 | 168.6 | 0 | 0 | 110.7 | V1084 A1085 K1086 E1090 V1091 A1092 N1261 | V1084-E1088 HydrophobicContact CB-CG 4.45Å; V1084-E1088 HydrophobicContact CG1-CB 4.43Å; V1084-E1088 HydrophobicContact CG1-CG 3.25Å; V1084-E1088 WeakPolarHBondContact CG1-OE1 3.35Å; V1084-E1088 WeakPolarHBondContact O-CA 3.4Å; V1084-E1088 WeakPolarHBondContact O-CB 2.99Å; V1084-E1088 WeakPolarHBondContact O-CG 3.31Å; V1084-E1088 PolarHBondContact O-N 2.76Å; A1085-E1088 CarbonylContact O-C 3.53Å; A1085-E1088 PolarHBondContact O-N 2.27Å; K1086-E1088 VanDerWaalsContact C-N 3.31Å; E1088-E1090 VanDerWaalsContact C-N 3.31Å; E1088-V1091 CarbonylContact O-C 3.29Å; E1088-V1091 PolarHBondContact O-N 3.44Å; E1088-A1092 WeakPolarHBondContact O-CA 2.85Å; E1088-A1092 WeakPolarHBondContact O-CB 3.5Å; E1088-A1092 PolarHBondContact O-N 2.89Å; E1088-N1261 PolarHBondContact OE2-ND2 3.34Å | |
| 1089 | A | 72.9 | Confident | 69.9 | Low | 58 Ų | 58 | 89.4 Ų | 89.4 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | H | α-helix | 0 | -38.5 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | A1085 K1086 L1087 V1091 A1092 Q1093 | A1085-A1089 WeakPolarHBondContact O-CA 2.94Å; A1085-A1089 WeakPolarHBondContact O-CB 3.37Å; A1085-A1089 PolarHBondContact O-N 3.2Å; K1086-A1089 WeakPolarHBondContact O-CB 3.34Å; K1086-A1089 PolarHBondContact O-N 3.14Å; L1087-A1089 VanDerWaalsContact C-N 3.28Å; A1089-V1091 VanDerWaalsContact C-N 3.34Å; A1089-A1092 PolarHBondContact O-N 2.78Å; A1089-Q1093 WeakPolarHBondContact O-CB 2.96Å; A1089-Q1093 PolarHBondContact O-N 3.09Å | |
| 1090 | E | 69.8 | Low | 70 | Confident | 104 Ų | 104 | 90.3 Ų | 90.3 | 49% | 0.486 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -73.2 | -33 | 177.4 | -100.4 | -179.3 | -179.2 | 0 | 0 | 110.6 | K1086 L1087 E1088 Q1093 L1094 | K1086-E1090 WeakPolarHBondContact O-CB 3.18Å; K1086-E1090 PolarHBondContact O-N 3.32Å; L1087-E1090 CarbonylContact O-C 3.43Å; L1087-E1090 VanDerWaalsContact O-C 3.28Å; L1087-E1090 WeakPolarHBondContact O-CA 3.1Å; L1087-E1090 WeakPolarHBondContact O-CB 2.8Å; L1087-E1090 PolarHBondContact O-N 2.07Å; L1087-E1090 VanDerWaalsContact O-N 3.14Å; E1088-E1090 VanDerWaalsContact C-N 3.31Å; E1090-Q1093 CarbonylContact O-C 3.12Å; E1090-Q1093 PolarHBondContact O-N 2.33Å; E1090-L1094 WeakPolarHBondContact O-CA 3.39Å; E1090-L1094 WeakPolarHBondContact O-CB 3.49Å; E1090-L1094 WeakPolarHBondContact O-CG 3.43Å; E1090-L1094 PolarHBondContact O-N 3.4Å |
| 1091 | V | 65.5 | Low | 70.2 | Confident | 65 Ų | 65 | 92.2 Ų | 92.2 | 39% | 0.394 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -75.2 | 0 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | L1087 E1088 A1089 Q1093 L1094 Q1095 | L1087-V1091 WeakPolarHBondContact O-CA 3.14Å; L1087-V1091 WeakPolarHBondContact O-CB 2.62Å; L1087-V1091 WeakPolarHBondContact O-CG2 3.01Å; L1087-V1091 PolarHBondContact O-N 2.75Å; E1088-V1091 CarbonylContact O-C 3.29Å; E1088-V1091 PolarHBondContact O-N 3.44Å; A1089-V1091 VanDerWaalsContact C-N 3.34Å; V1091-Q1093 VanDerWaalsContact C-N 3.33Å; V1091-L1094 CarbonylContact O-C 2.29Å; V1091-L1094 WeakPolarHBondContact O-CA 2.34Å; V1091-L1094 PolarHBondContact O-N 3.42Å; V1091-Q1095 VanDerWaalsContact C-N 3.33Å; V1091-Q1095 HydrophobicContact CG1-CG 4.05Å; V1091-Q1095 WeakPolarHBondContact O-CA 2.72Å; V1091-Q1095 WeakPolarHBondContact O-CB 3.08Å; V1091-Q1095 WeakPolarHBondContact O-CG 2.41Å; V1091-Q1095 PolarHBondContact O-N 2.82Å |
| 1092 | A | 72.9 | Confident | 70.2 | Confident | 42 Ų | 42 | 92.2 Ų | 92.2 | 35% | 0.347 | 48% | 0.484 | S | S | . | . | H | α-helix | 0 | -39.1 | 0 | 0 | 0 | 0 | 0 | 0 | 109.8 | E1088 A1089 L1094 Q1095 N1096 | E1088-A1092 WeakPolarHBondContact O-CA 2.85Å; E1088-A1092 WeakPolarHBondContact O-CB 3.5Å; E1088-A1092 PolarHBondContact O-N 2.89Å; A1089-A1092 PolarHBondContact O-N 2.78Å; A1092-L1094 VanDerWaalsContact C-N 3.29Å; A1092-Q1095 CarbonylContact O-C 3.47Å; A1092-Q1095 PolarHBondContact O-N 3.31Å; A1092-N1096 WeakPolarHBondContact O-CA 2.79Å; A1092-N1096 WeakPolarHBondContact O-CB 2.85Å; A1092-N1096 PolarHBondContact O-N 3.3Å | |
| 1093 | Q | 72.7 | Confident | 70.3 | Confident | 140 Ų | 140 | 93.4 Ų | 93.4 | 65% | 0.654 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.5 | 0 | 175.6 | -128.7 | -179.7 | -8.6 | 0 | 0 | 110.2 | A1089 E1090 V1091 Q1095 N1096 R1097 | A1089-Q1093 WeakPolarHBondContact O-CB 2.96Å; A1089-Q1093 PolarHBondContact O-N 3.09Å; E1090-Q1093 CarbonylContact O-C 3.12Å; E1090-Q1093 PolarHBondContact O-N 2.33Å; V1091-Q1093 VanDerWaalsContact C-N 3.33Å; Q1093-Q1095 VanDerWaalsContact C-N 3.34Å; Q1093-N1096 PolarHBondContact O-N 3.08Å; Q1093-R1097 VanDerWaalsContact O-CB 3.28Å; Q1093-R1097 WeakPolarHBondContact O-CB 2.55Å; Q1093-R1097 PolarHBondContact O-N 3.39Å |
| 1094 | L | 68.6 | Low | 70.4 | Confident | 104 Ų | 104 | 92.7 Ų | 92.7 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -77.2 | 172 | 0 | 0 | 0 | 110.2 | E1090 V1091 A1092 R1097 L1098 | E1090-L1094 WeakPolarHBondContact O-CA 3.39Å; E1090-L1094 WeakPolarHBondContact O-CB 3.49Å; E1090-L1094 WeakPolarHBondContact O-CG 3.43Å; E1090-L1094 PolarHBondContact O-N 3.4Å; V1091-L1094 CarbonylContact O-C 2.29Å; V1091-L1094 WeakPolarHBondContact O-CA 2.34Å; V1091-L1094 PolarHBondContact O-N 3.42Å; A1092-L1094 VanDerWaalsContact C-N 3.29Å; L1094-R1097 CarbonylContact O-C 3.48Å; L1094-R1097 PolarHBondContact O-N 3.41Å; L1094-L1098 VanDerWaalsContact O-CA 3.22Å; L1094-L1098 WeakPolarHBondContact O-CA 3.15Å; L1094-L1098 WeakPolarHBondContact O-CB 2.8Å; L1094-L1098 PolarHBondContact O-N 2.18Å | |
| 1095 | Q | 69.4 | Low | 70.8 | Confident | 78 Ų | 78 | 96.1 Ų | 96.1 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -102.6 | 164.9 | -21.1 | 0 | 0 | 110.1 | V1091 A1092 Q1093 R1097 L1098 D1099 | V1091-Q1095 VanDerWaalsContact C-N 3.33Å; V1091-Q1095 HydrophobicContact CG1-CG 4.05Å; V1091-Q1095 WeakPolarHBondContact O-CA 2.72Å; V1091-Q1095 WeakPolarHBondContact O-CB 3.08Å; V1091-Q1095 WeakPolarHBondContact O-CG 2.41Å; V1091-Q1095 PolarHBondContact O-N 2.82Å; A1092-Q1095 CarbonylContact O-C 3.47Å; A1092-Q1095 PolarHBondContact O-N 3.31Å; Q1093-Q1095 VanDerWaalsContact C-N 3.34Å; Q1095-R1097 PolarHBondContact O-N 2.76Å; Q1095-L1098 CarbonylContact O-C 3.48Å; Q1095-L1098 VanDerWaalsContact O-C 3.24Å; Q1095-L1098 WeakPolarHBondContact O-CA 3.39Å; Q1095-L1098 PolarHBondContact O-N 3.5Å; Q1095-L1098 VanDerWaalsContact O-N 3.07Å; Q1095-D1099 WeakPolarHBondContact O-CA 3.29Å; Q1095-D1099 WeakPolarHBondContact O-CB 3.29Å; Q1095-D1099 PolarHBondContact O-N 2.86Å | |
| 1096 | N | 73.5 | Confident | 70.7 | Confident | 102 Ų | 102 | 96.2 Ų | 96.2 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | 0 | -36.1 | 0 | -94.8 | -14.7 | 0 | 0 | 0 | 110.2 | A1092 Q1093 L1098 D1099 E1100 | A1092-N1096 WeakPolarHBondContact O-CA 2.79Å; A1092-N1096 WeakPolarHBondContact O-CB 2.85Å; A1092-N1096 PolarHBondContact O-N 3.3Å; Q1093-N1096 PolarHBondContact O-N 3.08Å; N1096-L1098 VanDerWaalsContact C-N 3.26Å; N1096-D1099 PolarHBondContact O-N 3.02Å; N1096-E1100 WeakPolarHBondContact O-CA 2.64Å; N1096-E1100 WeakPolarHBondContact O-CB 3.01Å; N1096-E1100 WeakPolarHBondContact O-CG 3.06Å; N1096-E1100 PolarHBondContact O-N 2.8Å | |
| 1097 | R | 73.4 | Confident | 70.7 | Confident | 178 Ų | 178 | 93 Ų | 93 | 67% | 0.672 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.7 | 0 | 174.5 | -104 | -178.4 | 178.7 | 162.8 | 0.7 | 110.8 | Q1093 L1094 Q1095 E1100 E1101 | Q1093-R1097 VanDerWaalsContact O-CB 3.28Å; Q1093-R1097 WeakPolarHBondContact O-CB 2.55Å; Q1093-R1097 PolarHBondContact O-N 3.39Å; L1094-R1097 CarbonylContact O-C 3.48Å; L1094-R1097 PolarHBondContact O-N 3.41Å; Q1095-R1097 PolarHBondContact O-N 2.76Å; R1097-E1100 CarbonylContact O-C 3.47Å; R1097-E1100 PolarHBondContact O-N 3.36Å; R1097-E1101 VanDerWaalsContact O-CA 3.32Å; R1097-E1101 WeakPolarHBondContact O-CA 3.04Å; R1097-E1101 WeakPolarHBondContact O-CB 3.47Å; R1097-E1101 WeakPolarHBondContact O-CG 3.42Å; R1097-E1101 PolarHBondContact O-N 3.25Å |
| 1098 | L | 69.2 | Low | 70.7 | Confident | 87 Ų | 87 | 90.4 Ų | 90.4 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -178.2 | 70 | 0 | 0 | 0 | 110.3 | L1094 Q1095 N1096 E1100 E1101 I1102 | L1094-L1098 VanDerWaalsContact O-CA 3.22Å; L1094-L1098 WeakPolarHBondContact O-CA 3.15Å; L1094-L1098 WeakPolarHBondContact O-CB 2.8Å; L1094-L1098 PolarHBondContact O-N 2.18Å; Q1095-L1098 CarbonylContact O-C 3.48Å; Q1095-L1098 VanDerWaalsContact O-C 3.24Å; Q1095-L1098 WeakPolarHBondContact O-CA 3.39Å; Q1095-L1098 PolarHBondContact O-N 3.5Å; Q1095-L1098 VanDerWaalsContact O-N 3.07Å; N1096-L1098 VanDerWaalsContact C-N 3.26Å; L1098-E1100 VanDerWaalsContact C-N 3.33Å; L1098-E1101 CarbonylContact O-C 3.31Å; L1098-E1101 WeakPolarHBondContact O-CA 3.25Å; L1098-E1101 WeakPolarHBondContact O-CB 3.42Å; L1098-E1101 PolarHBondContact O-N 3.01Å; L1098-I1102 HydrophobicContact CD1-CD1 4.47Å; L1098-I1102 HydrophobicContact CD1-CG1 4.25Å; L1098-I1102 HydrophobicContact CD2-CD1 4.05Å; L1098-I1102 HydrophobicContact CG-CD1 3.66Å; L1098-I1102 HydrophobicContact CG-CG1 3.87Å; L1098-I1102 WeakPolarHBondContact O-CA 3.33Å; L1098-I1102 WeakPolarHBondContact O-CB 3.37Å; L1098-I1102 WeakPolarHBondContact O-CG1 3.34Å; L1098-I1102 PolarHBondContact O-N 3.33Å | |
| 1099 | D | 71.6 | Confident | 70.5 | Confident | 76 Ų | 76 | 91.2 Ų | 91.2 | 41% | 0.406 | 49% | 0.487 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -76.6 | -18.7 | 0 | 0 | 0 | 110 | Q1095 N1096 E1101 I1102 V1103 | Q1095-D1099 WeakPolarHBondContact O-CA 3.29Å; Q1095-D1099 WeakPolarHBondContact O-CB 3.29Å; Q1095-D1099 PolarHBondContact O-N 2.86Å; N1096-D1099 PolarHBondContact O-N 3.02Å; D1099-E1101 PolarHBondContact O-N 3.12Å; D1099-I1102 CarbonylContact O-C 3.4Å; D1099-I1102 PolarHBondContact O-N 3.39Å; D1099-I1102 VanDerWaalsContact O-N 3.14Å; D1099-V1103 VanDerWaalsContact O-CA 3.32Å; D1099-V1103 WeakPolarHBondContact O-CA 3.27Å; D1099-V1103 WeakPolarHBondContact O-CB 3.45Å; D1099-V1103 WeakPolarHBondContact O-CG2 3.31Å; D1099-V1103 PolarHBondContact O-N 3.06Å | |
| 1100 | E | 73.1 | Confident | 70.5 | Confident | 136 Ų | 136 | 95 Ų | 95 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -83.4 | 179.1 | -178.2 | 0 | 0 | 110 | N1096 R1097 L1098 A1104 | N1096-E1100 WeakPolarHBondContact O-CA 2.64Å; N1096-E1100 WeakPolarHBondContact O-CB 3.01Å; N1096-E1100 WeakPolarHBondContact O-CG 3.06Å; N1096-E1100 PolarHBondContact O-N 2.8Å; R1097-E1100 CarbonylContact O-C 3.47Å; R1097-E1100 PolarHBondContact O-N 3.36Å; L1098-E1100 VanDerWaalsContact C-N 3.33Å; E1100-A1104 WeakPolarHBondContact O-CA 3.32Å; E1100-A1104 WeakPolarHBondContact O-CB 3.13Å; E1100-A1104 PolarHBondContact O-N 2.92Å | |
| 1101 | E | 69.2 | Low | 70.6 | Confident | 135 Ų | 135 | 91.5 Ų | 91.5 | 63% | 0.631 | 48% | 0.48 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -101.5 | -139.2 | 170.8 | 0 | 0 | 110.7 | R1097 L1098 D1099 A1104 K1105 | R1097-E1101 VanDerWaalsContact O-CA 3.32Å; R1097-E1101 WeakPolarHBondContact O-CA 3.04Å; R1097-E1101 WeakPolarHBondContact O-CB 3.47Å; R1097-E1101 WeakPolarHBondContact O-CG 3.42Å; R1097-E1101 PolarHBondContact O-N 3.25Å; L1098-E1101 CarbonylContact O-C 3.31Å; L1098-E1101 WeakPolarHBondContact O-CA 3.25Å; L1098-E1101 WeakPolarHBondContact O-CB 3.42Å; L1098-E1101 PolarHBondContact O-N 3.01Å; D1099-E1101 PolarHBondContact O-N 3.12Å; E1101-A1104 CarbonylContact O-C 3.19Å; E1101-A1104 VanDerWaalsContact O-C 3.3Å; E1101-A1104 PolarHBondContact O-N 3.32Å; E1101-K1105 WeakPolarHBondContact O-CA 3.32Å; E1101-K1105 WeakPolarHBondContact O-CB 3.09Å; E1101-K1105 PolarHBondContact O-N 2.92Å | |
| 1102 | I | 67.8 | Low | 70.7 | Confident | 80 Ų | 80 | 91.6 Ų | 91.6 | 41% | 0.41 | 48% | 0.48 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -71.7 | 175 | 0 | 0 | 0 | 108.8 | L1098 D1099 A1104 K1105 A1106 | L1098-I1102 HydrophobicContact CD1-CD1 4.47Å; L1098-I1102 HydrophobicContact CD1-CG1 4.25Å; L1098-I1102 HydrophobicContact CD2-CD1 4.05Å; L1098-I1102 HydrophobicContact CG-CD1 3.66Å; L1098-I1102 HydrophobicContact CG-CG1 3.87Å; L1098-I1102 WeakPolarHBondContact O-CA 3.33Å; L1098-I1102 WeakPolarHBondContact O-CB 3.37Å; L1098-I1102 WeakPolarHBondContact O-CG1 3.34Å; L1098-I1102 PolarHBondContact O-N 3.33Å; D1099-I1102 CarbonylContact O-C 3.4Å; D1099-I1102 PolarHBondContact O-N 3.39Å; D1099-I1102 VanDerWaalsContact O-N 3.14Å; I1102-A1104 VanDerWaalsContact C-N 3.25Å; I1102-K1105 CarbonylContact O-C 3.58Å; I1102-K1105 WeakPolarHBondContact O-CA 3.35Å; I1102-K1105 WeakPolarHBondContact O-CB 3.13Å; I1102-K1105 PolarHBondContact O-N 3.42Å; I1102-A1106 WeakPolarHBondContact O-CA 3.45Å; I1102-A1106 WeakPolarHBondContact O-CB 2.89Å; I1102-A1106 PolarHBondContact O-N 2.97Å | |
| 1103 | V | 74.1 | Confident | 70.5 | Confident | 86 Ų | 86 | 97.8 Ų | 97.8 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 171.5 | 0 | 0 | 0 | 0 | 108.3 | D1099 K1105 A1106 V1107 | D1099-V1103 VanDerWaalsContact O-CA 3.32Å; D1099-V1103 WeakPolarHBondContact O-CA 3.27Å; D1099-V1103 WeakPolarHBondContact O-CB 3.45Å; D1099-V1103 WeakPolarHBondContact O-CG2 3.31Å; D1099-V1103 PolarHBondContact O-N 3.06Å; V1103-K1105 PolarHBondContact O-N 3.12Å; V1103-A1106 CarbonylContact O-C 3.6Å; V1103-A1106 PolarHBondContact O-N 2.85Å; V1103-V1107 HydrophobicContact CG1-CG2 3.87Å; V1103-V1107 VanDerWaalsContact O-CA 3.31Å; V1103-V1107 WeakPolarHBondContact O-CA 3.43Å; V1103-V1107 WeakPolarHBondContact O-CB 3.2Å; V1103-V1107 WeakPolarHBondContact O-CG2 3.1Å; V1103-V1107 PolarHBondContact O-N 2.65Å | |
| 1104 | A | 71.2 | Confident | 70.5 | Confident | 55 Ų | 55 | 96.5 Ų | 96.5 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.8 | E1100 E1101 I1102 A1108 | E1100-A1104 WeakPolarHBondContact O-CA 3.32Å; E1100-A1104 WeakPolarHBondContact O-CB 3.13Å; E1100-A1104 PolarHBondContact O-N 2.92Å; E1101-A1104 CarbonylContact O-C 3.19Å; E1101-A1104 VanDerWaalsContact O-C 3.3Å; E1101-A1104 PolarHBondContact O-N 3.32Å; I1102-A1104 VanDerWaalsContact C-N 3.25Å; A1104-A1108 WeakPolarHBondContact O-CA 3.36Å; A1104-A1108 WeakPolarHBondContact O-CB 2.82Å; A1104-A1108 PolarHBondContact O-N 3.47Å | |
| 1105 | K | 70.2 | Confident | 70.4 | Confident | 126 Ų | 126 | 99 Ų | 99 | 55% | 0.548 | 49% | 0.492 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -172.6 | -179.7 | 173.3 | -179.3 | 0 | 111.1 | E1101 I1102 V1103 A1108 Q1109 | E1101-K1105 WeakPolarHBondContact O-CA 3.32Å; E1101-K1105 WeakPolarHBondContact O-CB 3.09Å; E1101-K1105 PolarHBondContact O-N 2.92Å; I1102-K1105 CarbonylContact O-C 3.58Å; I1102-K1105 WeakPolarHBondContact O-CA 3.35Å; I1102-K1105 WeakPolarHBondContact O-CB 3.13Å; I1102-K1105 PolarHBondContact O-N 3.42Å; V1103-K1105 PolarHBondContact O-N 3.12Å; K1105-A1108 CarbonylContact O-C 3.58Å; K1105-A1108 VanDerWaalsContact O-C 3.26Å; K1105-A1108 PolarHBondContact O-N 2.96Å; K1105-Q1109 HydrophobicContact CG-CG 4.34Å; K1105-Q1109 WeakPolarHBondContact O-CA 3.07Å; K1105-Q1109 WeakPolarHBondContact O-CB 3.45Å; K1105-Q1109 WeakPolarHBondContact O-CG 3.16Å; K1105-Q1109 PolarHBondContact O-N 3.29Å | |
| 1106 | A | 70 | Confident | 70.2 | Confident | 47 Ų | 47 | 101.7 Ų | 101.7 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.5 | I1102 V1103 A1108 Q1109 K1110 | I1102-A1106 WeakPolarHBondContact O-CA 3.45Å; I1102-A1106 WeakPolarHBondContact O-CB 2.89Å; I1102-A1106 PolarHBondContact O-N 2.97Å; V1103-A1106 CarbonylContact O-C 3.6Å; V1103-A1106 PolarHBondContact O-N 2.85Å; A1106-A1108 VanDerWaalsContact C-N 3.31Å; A1106-Q1109 CarbonylContact O-C 3.43Å; A1106-Q1109 PolarHBondContact O-N 3.31Å; A1106-K1110 WeakPolarHBondContact O-CA 3.46Å; A1106-K1110 WeakPolarHBondContact O-CB 3.14Å; A1106-K1110 PolarHBondContact O-N 2.7Å | |
| 1107 | V | 71.9 | Confident | 70.2 | Confident | 89 Ų | 89 | 99.7 Ų | 99.7 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 170.3 | 0 | 0 | 0 | 0 | 108.5 | V1103 K1110 S1111 | V1103-V1107 HydrophobicContact CG1-CG2 3.87Å; V1103-V1107 VanDerWaalsContact O-CA 3.31Å; V1103-V1107 WeakPolarHBondContact O-CA 3.43Å; V1103-V1107 WeakPolarHBondContact O-CB 3.2Å; V1103-V1107 WeakPolarHBondContact O-CG2 3.1Å; V1103-V1107 PolarHBondContact O-N 2.65Å; V1107-K1110 PolarHBondContact O-N 3.32Å; V1107-S1111 VanDerWaalsContact C-OG 3.31Å; V1107-S1111 WeakPolarHBondContact O-CA 3.48Å; V1107-S1111 WeakPolarHBondContact O-CB 3.47Å; V1107-S1111 PolarHBondContact O-N 3.31Å; V1107-S1111 PolarHBondContact O-OG 2.96Å | |
| 1108 | A | 69.8 | Low | 69.9 | Low | 42 Ų | 42 | 96 Ų | 96 | 35% | 0.347 | 49% | 0.487 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | A1104 K1105 A1106 S1111 V1112 | A1104-A1108 WeakPolarHBondContact O-CA 3.36Å; A1104-A1108 WeakPolarHBondContact O-CB 2.82Å; A1104-A1108 PolarHBondContact O-N 3.47Å; K1105-A1108 CarbonylContact O-C 3.58Å; K1105-A1108 VanDerWaalsContact O-C 3.26Å; K1105-A1108 PolarHBondContact O-N 2.96Å; A1106-A1108 VanDerWaalsContact C-N 3.31Å; A1108-S1111 WeakPolarHBondContact CA-OG 3.49Å; A1108-S1111 PolarHBondContact N-OG 3.38Å; A1108-S1111 CarbonylContact O-C 3.46Å; A1108-S1111 PolarHBondContact O-N 2.91Å; A1108-S1111 PolarHBondContact O-OG 2.94Å; A1108-V1112 VanDerWaalsContact O-CA 3.27Å; A1108-V1112 WeakPolarHBondContact O-CA 3.46Å; A1108-V1112 WeakPolarHBondContact O-CB 3.48Å; A1108-V1112 WeakPolarHBondContact O-CG2 3.42Å; A1108-V1112 PolarHBondContact O-N 3.14Å | |
| 1109 | Q | 64.8 | Low | 69.9 | Low | 86 Ų | 86 | 96 Ų | 96 | 40% | 0.402 | 49% | 0.486 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -105 | 178.2 | -19.1 | 0 | 0 | 109.9 | K1105 A1106 S1111 V1112 R1113 | K1105-Q1109 HydrophobicContact CG-CG 4.34Å; K1105-Q1109 WeakPolarHBondContact O-CA 3.07Å; K1105-Q1109 WeakPolarHBondContact O-CB 3.45Å; K1105-Q1109 WeakPolarHBondContact O-CG 3.16Å; K1105-Q1109 PolarHBondContact O-N 3.29Å; A1106-Q1109 CarbonylContact O-C 3.43Å; A1106-Q1109 PolarHBondContact O-N 3.31Å; Q1109-S1111 VanDerWaalsContact C-N 3.34Å; Q1109-V1112 CarbonylContact O-C 3.57Å; Q1109-V1112 PolarHBondContact O-N 3.04Å; Q1109-R1113 WeakPolarHBondContact O-CA 3.32Å; Q1109-R1113 WeakPolarHBondContact O-CB 3.42Å; Q1109-R1113 WeakPolarHBondContact O-CG 3.2Å; Q1109-R1113 PolarHBondContact O-N 3.47Å | |
| 1110 | K | 72.4 | Confident | 69.8 | Low | 138 Ų | 138 | 98.1 Ų | 98.1 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -149.7 | 179.9 | 179 | -179.6 | 0 | 110.3 | A1106 V1107 V1112 R1113 E1114 | A1106-K1110 WeakPolarHBondContact O-CA 3.46Å; A1106-K1110 WeakPolarHBondContact O-CB 3.14Å; A1106-K1110 PolarHBondContact O-N 2.7Å; V1107-K1110 PolarHBondContact O-N 3.32Å; K1110-V1112 VanDerWaalsContact C-N 3.32Å; K1110-R1113 CarbonylContact O-C 3.55Å; K1110-R1113 PolarHBondContact O-N 3.35Å; K1110-E1114 VanDerWaalsContact O-CA 3.31Å; K1110-E1114 WeakPolarHBondContact O-CA 3.36Å; K1110-E1114 WeakPolarHBondContact O-CB 3.42Å; K1110-E1114 WeakPolarHBondContact O-CG 3.28Å; K1110-E1114 PolarHBondContact O-N 3.35Å | |
| 1111 | S | 70.7 | Confident | 69.7 | Low | 30 Ų | 30 | 96.5 Ų | 96.5 | 21% | 0.21 | 49% | 0.486 | C | S | . | . | H | α-helix | 0 | 0 | 0 | 43.2 | 0 | 0 | 0 | 0 | 110 | V1107 A1108 Q1109 E1114 Y1115 | V1107-S1111 VanDerWaalsContact C-OG 3.31Å; V1107-S1111 WeakPolarHBondContact O-CA 3.48Å; V1107-S1111 WeakPolarHBondContact O-CB 3.47Å; V1107-S1111 PolarHBondContact O-N 3.31Å; V1107-S1111 PolarHBondContact O-OG 2.96Å; A1108-S1111 WeakPolarHBondContact CA-OG 3.49Å; A1108-S1111 PolarHBondContact N-OG 3.38Å; A1108-S1111 CarbonylContact O-C 3.46Å; A1108-S1111 PolarHBondContact O-N 2.91Å; A1108-S1111 PolarHBondContact O-OG 2.94Å; Q1109-S1111 VanDerWaalsContact C-N 3.34Å; S1111-E1114 CarbonylContact O-C 3.19Å; S1111-E1114 PolarHBondContact O-N 2.71Å; S1111-Y1115 WeakPolarHBondContact O-CA 3.07Å; S1111-Y1115 WeakPolarHBondContact O-CB 3.43Å; S1111-Y1115 WeakPolarHBondContact O-CD2 3.21Å; S1111-Y1115 PolarHBondContact O-N 2.72Å | |
| 1112 | V | 67.6 | Low | 69.6 | Low | 67 Ų | 67 | 95.2 Ų | 95.2 | 41% | 0.406 | 48% | 0.483 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 169.7 | 0 | 0 | 0 | 0 | 109.8 | A1108 Q1109 K1110 Y1115 K1116 | A1108-V1112 VanDerWaalsContact O-CA 3.27Å; A1108-V1112 WeakPolarHBondContact O-CA 3.46Å; A1108-V1112 WeakPolarHBondContact O-CB 3.48Å; A1108-V1112 WeakPolarHBondContact O-CG2 3.42Å; A1108-V1112 PolarHBondContact O-N 3.14Å; Q1109-V1112 CarbonylContact O-C 3.57Å; Q1109-V1112 PolarHBondContact O-N 3.04Å; K1110-V1112 VanDerWaalsContact C-N 3.32Å; V1112-Y1115 CarbonylContact O-C 3.36Å; V1112-Y1115 VanDerWaalsContact O-C 3.31Å; V1112-Y1115 PolarHBondContact O-N 3.15Å; V1112-K1116 VanDerWaalsContact C-N 3.33Å; V1112-K1116 HydrophobicContact CG1-CD 3.99Å; V1112-K1116 HydrophobicContact CG1-CG 4Å; V1112-K1116 WeakPolarHBondContact O-CA 3.22Å; V1112-K1116 WeakPolarHBondContact O-CB 2.76Å; V1112-K1116 WeakPolarHBondContact O-CG 2.11Å; V1112-K1116 PolarHBondContact O-N 3.08Å | |
| 1113 | R | 70 | Confident | 69.5 | Low | 171 Ų | 171 | 97.8 Ų | 97.8 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -89.8 | -173.6 | -134.2 | 160.8 | -0.5 | 110.7 | Q1109 K1110 Y1115 K1116 S1117 | Q1109-R1113 WeakPolarHBondContact O-CA 3.32Å; Q1109-R1113 WeakPolarHBondContact O-CB 3.42Å; Q1109-R1113 WeakPolarHBondContact O-CG 3.2Å; Q1109-R1113 PolarHBondContact O-N 3.47Å; K1110-R1113 CarbonylContact O-C 3.55Å; K1110-R1113 PolarHBondContact O-N 3.35Å; R1113-Y1115 VanDerWaalsContact C-N 3.33Å; R1113-K1116 CarbonylContact O-C 1.76Å; R1113-K1116 PolarHBondContact O-N 3.03Å; R1113-S1117 WeakPolarHBondContact O-CA 3.36Å; R1113-S1117 WeakPolarHBondContact O-CB 3.48Å; R1113-S1117 PolarHBondContact O-N 3.02Å | |
| 1114 | E | 71.2 | Confident | 69.3 | Low | 114 Ų | 114 | 99.2 Ų | 99.2 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -89.4 | -179.9 | 178 | 0 | 0 | 109.9 | K1110 S1111 S1117 H1118 | K1110-E1114 VanDerWaalsContact O-CA 3.31Å; K1110-E1114 WeakPolarHBondContact O-CA 3.36Å; K1110-E1114 WeakPolarHBondContact O-CB 3.42Å; K1110-E1114 WeakPolarHBondContact O-CG 3.28Å; K1110-E1114 PolarHBondContact O-N 3.35Å; S1111-E1114 CarbonylContact O-C 3.19Å; S1111-E1114 PolarHBondContact O-N 2.71Å; E1114-S1117 CarbonylContact O-C 3.57Å; E1114-S1117 PolarHBondContact O-N 3.01Å; E1114-H1118 VanDerWaalsContact O-CA 3.29Å; E1114-H1118 WeakPolarHBondContact O-CA 3.24Å; E1114-H1118 WeakPolarHBondContact O-CB 2.56Å; E1114-H1118 PolarHBondContact O-N 3.5Å; E1114-H1118 PolarHBondContact O-ND1 3.45Å | |
| 1115 | Y | 67.6 | Low | 69.1 | Low | 156 Ų | 156 | 101.4 Ų | 101.4 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -77.6 | -51.4 | 0 | 0 | 0 | 109.6 | S1111 V1112 R1113 H1118 I1119 | S1111-Y1115 WeakPolarHBondContact O-CA 3.07Å; S1111-Y1115 WeakPolarHBondContact O-CB 3.43Å; S1111-Y1115 WeakPolarHBondContact O-CD2 3.21Å; S1111-Y1115 PolarHBondContact O-N 2.72Å; V1112-Y1115 CarbonylContact O-C 3.36Å; V1112-Y1115 VanDerWaalsContact O-C 3.31Å; V1112-Y1115 PolarHBondContact O-N 3.15Å; R1113-Y1115 VanDerWaalsContact C-N 3.33Å; Y1115-H1118 CarbonylContact O-C 3.4Å; Y1115-H1118 PolarHBondContact O-N 3.23Å; Y1115-I1119 WeakPolarHBondContact O-CA 3.25Å; Y1115-I1119 WeakPolarHBondContact O-CB 3.42Å; Y1115-I1119 WeakPolarHBondContact O-CD1 3.37Å; Y1115-I1119 WeakPolarHBondContact O-CG1 3.41Å; Y1115-I1119 PolarHBondContact O-N 3.4Å | |
| 1116 | K | 64.9 | Low | 69 | Low | 134 Ų | 134 | 99.2 Ų | 99.2 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -94.9 | -175.6 | -178.7 | 178.1 | 0 | 110.7 | V1112 R1113 I1119 Q1120 | V1112-K1116 VanDerWaalsContact C-N 3.33Å; V1112-K1116 HydrophobicContact CG1-CD 3.99Å; V1112-K1116 HydrophobicContact CG1-CG 4Å; V1112-K1116 WeakPolarHBondContact O-CA 3.22Å; V1112-K1116 WeakPolarHBondContact O-CB 2.76Å; V1112-K1116 WeakPolarHBondContact O-CG 2.11Å; V1112-K1116 PolarHBondContact O-N 3.08Å; R1113-K1116 CarbonylContact O-C 1.76Å; R1113-K1116 PolarHBondContact O-N 3.03Å; K1116-I1119 CarbonylContact O-C 3.32Å; K1116-I1119 PolarHBondContact O-N 3.45Å; K1116-Q1120 WeakPolarHBondContact O-CA 2.7Å; K1116-Q1120 WeakPolarHBondContact O-CB 2.68Å; K1116-Q1120 PolarHBondContact O-N 3.35Å | |
| 1117 | S | 72.7 | Confident | 68.9 | Low | 60 Ų | 60 | 102.7 Ų | 102.7 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 164 | 0 | 0 | 0 | 0 | 109.9 | R1113 E1114 I1119 Q1120 E1121 | R1113-S1117 WeakPolarHBondContact O-CA 3.36Å; R1113-S1117 WeakPolarHBondContact O-CB 3.48Å; R1113-S1117 PolarHBondContact O-N 3.02Å; E1114-S1117 CarbonylContact O-C 3.57Å; E1114-S1117 PolarHBondContact O-N 3.01Å; S1117-I1119 VanDerWaalsContact C-N 3.33Å; S1117-Q1120 CarbonylContact O-C 3.59Å; S1117-Q1120 PolarHBondContact O-N 3.23Å; S1117-E1121 WeakPolarHBondContact O-CA 3.27Å; S1117-E1121 WeakPolarHBondContact O-CB 3.29Å; S1117-E1121 PolarHBondContact O-N 3.46Å | |
| 1118 | H | 68.8 | Low | 68.9 | Low | 102 Ų | 102 | 101.2 Ų | 101.2 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -102.9 | 45.6 | 0 | 0 | 0 | 109.9 | E1114 Y1115 E1121 L1122 | E1114-H1118 VanDerWaalsContact O-CA 3.29Å; E1114-H1118 WeakPolarHBondContact O-CA 3.24Å; E1114-H1118 WeakPolarHBondContact O-CB 2.56Å; E1114-H1118 PolarHBondContact O-N 3.5Å; E1114-H1118 PolarHBondContact O-ND1 3.45Å; Y1115-H1118 CarbonylContact O-C 3.4Å; Y1115-H1118 PolarHBondContact O-N 3.23Å; H1118-E1121 CarbonylContact O-C 3.13Å; H1118-E1121 PolarHBondContact O-N 2.8Å; H1118-L1122 WeakPolarHBondContact O-CA 3.18Å; H1118-L1122 WeakPolarHBondContact O-CB 2.92Å; H1118-L1122 WeakPolarHBondContact O-CD1 3.28Å; H1118-L1122 WeakPolarHBondContact O-CG 2.61Å; H1118-L1122 PolarHBondContact O-N 3.31Å | |
| 1119 | I | 68 | Low | 68.8 | Low | 86 Ų | 86 | 104.4 Ų | 104.4 | 44% | 0.441 | 50% | 0.503 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -74.6 | 176.2 | 0 | 0 | 0 | 108.3 | Y1115 K1116 S1117 L1122 K1123 | Y1115-I1119 WeakPolarHBondContact O-CA 3.25Å; Y1115-I1119 WeakPolarHBondContact O-CB 3.42Å; Y1115-I1119 WeakPolarHBondContact O-CD1 3.37Å; Y1115-I1119 WeakPolarHBondContact O-CG1 3.41Å; Y1115-I1119 PolarHBondContact O-N 3.4Å; K1116-I1119 CarbonylContact O-C 3.32Å; K1116-I1119 PolarHBondContact O-N 3.45Å; S1117-I1119 VanDerWaalsContact C-N 3.33Å; I1119-L1122 CarbonylContact O-C 3.6Å; I1119-L1122 PolarHBondContact O-N 3.43Å; I1119-K1123 HydrophobicContact CG2-CD 4.15Å; I1119-K1123 HydrophobicContact CG2-CG 4.15Å; I1119-K1123 WeakPolarHBondContact O-CA 2.4Å; I1119-K1123 WeakPolarHBondContact O-CB 2.94Å; I1119-K1123 VanDerWaalsContact O-CG 3.26Å; I1119-K1123 WeakPolarHBondContact O-CG 2.67Å; I1119-K1123 PolarHBondContact O-N 3.25Å | |
| 1120 | Q | 70.9 | Confident | 68.9 | Low | 120 Ų | 120 | 107.7 Ų | 107.7 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -162 | 124.1 | 3.9 | 0 | 0 | 111.5 | K1116 S1117 L1122 K1123 E1124 | K1116-Q1120 WeakPolarHBondContact O-CA 2.7Å; K1116-Q1120 WeakPolarHBondContact O-CB 2.68Å; K1116-Q1120 PolarHBondContact O-N 3.35Å; S1117-Q1120 CarbonylContact O-C 3.59Å; S1117-Q1120 PolarHBondContact O-N 3.23Å; Q1120-L1122 VanDerWaalsContact C-N 3.34Å; Q1120-K1123 CarbonylContact O-C 3.58Å; Q1120-K1123 PolarHBondContact O-N 3.34Å; Q1120-E1124 VanDerWaalsContact O-CB 3.31Å; Q1120-E1124 WeakPolarHBondContact O-CB 2.73Å; Q1120-E1124 WeakPolarHBondContact O-CG 3.19Å; Q1120-E1124 PolarHBondContact O-N 2.63Å | |
| 1121 | E | 70.1 | Confident | 68.8 | Low | 102 Ų | 102 | 107.4 Ų | 107.4 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -99.6 | -179.4 | -177.8 | 0 | 0 | 110.1 | S1117 H1118 K1123 E1124 D1125 | S1117-E1121 WeakPolarHBondContact O-CA 3.27Å; S1117-E1121 WeakPolarHBondContact O-CB 3.29Å; S1117-E1121 PolarHBondContact O-N 3.46Å; H1118-E1121 CarbonylContact O-C 3.13Å; H1118-E1121 PolarHBondContact O-N 2.8Å; E1121-K1123 VanDerWaalsContact C-N 3.31Å; E1121-E1124 CarbonylContact O-C 3.56Å; E1121-E1124 PolarHBondContact O-N 3.43Å; E1121-D1125 WeakPolarHBondContact O-CA 3.04Å; E1121-D1125 WeakPolarHBondContact O-CB 3.01Å; E1121-D1125 PolarHBondContact O-N 3.22Å | |
| 1122 | L | 66 | Low | 68.7 | Low | 109 Ų | 109 | 108.7 Ų | 108.7 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -85.8 | 160 | 0 | 0 | 0 | 109.7 | H1118 I1119 Q1120 D1125 L1126 | H1118-L1122 WeakPolarHBondContact O-CA 3.18Å; H1118-L1122 WeakPolarHBondContact O-CB 2.92Å; H1118-L1122 WeakPolarHBondContact O-CD1 3.28Å; H1118-L1122 WeakPolarHBondContact O-CG 2.61Å; H1118-L1122 PolarHBondContact O-N 3.31Å; I1119-L1122 CarbonylContact O-C 3.6Å; I1119-L1122 PolarHBondContact O-N 3.43Å; Q1120-L1122 VanDerWaalsContact C-N 3.34Å; L1122-D1125 CarbonylContact O-C 3.27Å; L1122-D1125 PolarHBondContact O-N 3.43Å; L1122-L1126 WeakPolarHBondContact O-CA 3.39Å; L1122-L1126 WeakPolarHBondContact O-CB 3.26Å; L1122-L1126 PolarHBondContact O-N 3.23Å | |
| 1123 | K | 66.5 | Low | 68.8 | Low | 133 Ų | 133 | 112.9 Ų | 112.9 | 58% | 0.578 | 54% | 0.535 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -99.1 | -175.7 | 178.7 | 178.7 | 0 | 110.2 | I1119 Q1120 E1121 D1125 L1126 E1127 | I1119-K1123 HydrophobicContact CG2-CD 4.15Å; I1119-K1123 HydrophobicContact CG2-CG 4.15Å; I1119-K1123 WeakPolarHBondContact O-CA 2.4Å; I1119-K1123 WeakPolarHBondContact O-CB 2.94Å; I1119-K1123 VanDerWaalsContact O-CG 3.26Å; I1119-K1123 WeakPolarHBondContact O-CG 2.67Å; I1119-K1123 PolarHBondContact O-N 3.25Å; Q1120-K1123 CarbonylContact O-C 3.58Å; Q1120-K1123 PolarHBondContact O-N 3.34Å; E1121-K1123 VanDerWaalsContact C-N 3.31Å; K1123-D1125 VanDerWaalsContact C-N 3.26Å; K1123-L1126 CarbonylContact O-C 3.52Å; K1123-L1126 PolarHBondContact O-N 2.95Å; K1123-E1127 WeakPolarHBondContact O-CA 2.95Å; K1123-E1127 WeakPolarHBondContact O-CB 3.39Å; K1123-E1127 PolarHBondContact O-N 2.82Å | |
| 1124 | E | 69.4 | Low | 68.7 | Low | 117 Ų | 117 | 109.5 Ų | 109.5 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -83.2 | 177.1 | 179.9 | 0 | 0 | 111 | Q1120 E1121 L1126 E1127 A1128 | Q1120-E1124 VanDerWaalsContact O-CB 3.31Å; Q1120-E1124 WeakPolarHBondContact O-CB 2.73Å; Q1120-E1124 WeakPolarHBondContact O-CG 3.19Å; Q1120-E1124 PolarHBondContact O-N 2.63Å; E1121-E1124 CarbonylContact O-C 3.56Å; E1121-E1124 PolarHBondContact O-N 3.43Å; E1124-L1126 VanDerWaalsContact C-N 3.34Å; E1124-E1127 PolarHBondContact O-N 3.3Å; E1124-A1128 WeakPolarHBondContact O-CA 3.49Å; E1124-A1128 WeakPolarHBondContact O-CB 2.95Å; E1124-A1128 PolarHBondContact O-N 3.33Å | |
| 1125 | D | 68 | Low | 68.6 | Low | 100 Ų | 100 | 111.8 Ų | 111.8 | 54% | 0.535 | 54% | 0.538 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -78.1 | -12.4 | 0 | 0 | 0 | 109.8 | E1121 L1122 K1123 A1128 E1129 | E1121-D1125 WeakPolarHBondContact O-CA 3.04Å; E1121-D1125 WeakPolarHBondContact O-CB 3.01Å; E1121-D1125 PolarHBondContact O-N 3.22Å; L1122-D1125 CarbonylContact O-C 3.27Å; L1122-D1125 PolarHBondContact O-N 3.43Å; K1123-D1125 VanDerWaalsContact C-N 3.26Å; D1125-A1128 CarbonylContact O-C 3.29Å; D1125-A1128 PolarHBondContact O-N 3.01Å; D1125-E1129 VanDerWaalsContact O-CA 3.22Å; D1125-E1129 WeakPolarHBondContact O-CA 2.67Å; D1125-E1129 WeakPolarHBondContact O-CB 2.78Å; D1125-E1129 PolarHBondContact O-N 2.77Å | |
| 1126 | L | 67 | Low | 68.8 | Low | 80 Ų | 80 | 106.9 Ų | 106.9 | 42% | 0.419 | 53% | 0.53 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -173.5 | 81.3 | 0 | 0 | 0 | 109.7 | L1122 K1123 E1124 E1129 R1130 | L1122-L1126 WeakPolarHBondContact O-CA 3.39Å; L1122-L1126 WeakPolarHBondContact O-CB 3.26Å; L1122-L1126 PolarHBondContact O-N 3.23Å; K1123-L1126 CarbonylContact O-C 3.52Å; K1123-L1126 PolarHBondContact O-N 2.95Å; E1124-L1126 VanDerWaalsContact C-N 3.34Å; L1126-E1129 CarbonylContact O-C 3.37Å; L1126-E1129 PolarHBondContact O-N 2.49Å; L1126-R1130 HydrophobicContact CG-CG 4.33Å; L1126-R1130 WeakPolarHBondContact O-CA 3.44Å; L1126-R1130 WeakPolarHBondContact O-CB 3.47Å; L1126-R1130 WeakPolarHBondContact O-CG 3.48Å; L1126-R1130 PolarHBondContact O-N 2.77Å | |
| 1127 | E | 69.6 | Low | 68.9 | Low | 120 Ų | 120 | 104 Ų | 104 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -99.9 | 174.6 | -178.4 | 0 | 0 | 110.5 | K1123 E1124 E1129 R1130 M1131 | K1123-E1127 WeakPolarHBondContact O-CA 2.95Å; K1123-E1127 WeakPolarHBondContact O-CB 3.39Å; K1123-E1127 PolarHBondContact O-N 2.82Å; E1124-E1127 PolarHBondContact O-N 3.3Å; E1127-E1129 VanDerWaalsContact C-N 3.29Å; E1127-R1130 CarbonylContact O-C 3.55Å; E1127-R1130 PolarHBondContact O-N 3.44Å; E1127-M1131 WeakPolarHBondContact O-CA 2.19Å; E1127-M1131 WeakPolarHBondContact O-CB 3.42Å; E1127-M1131 WeakPolarHBondContact O-CG 2.22Å; E1127-M1131 PolarHBondContact O-N 2.98Å | |
| 1128 | A | 71.2 | Confident | 68.8 | Low | 59 Ų | 59 | 107 Ų | 107 | 49% | 0.488 | 53% | 0.529 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.1 | E1124 D1125 A1132 | E1124-A1128 WeakPolarHBondContact O-CA 3.49Å; E1124-A1128 WeakPolarHBondContact O-CB 2.95Å; E1124-A1128 PolarHBondContact O-N 3.33Å; D1125-A1128 CarbonylContact O-C 3.29Å; D1125-A1128 PolarHBondContact O-N 3.01Å; A1128-A1132 WeakPolarHBondContact O-CA 2.24Å; A1128-A1132 WeakPolarHBondContact O-CB 3.44Å; A1128-A1132 PolarHBondContact O-N 3.19Å | |
| 1129 | E | 68.5 | Low | 68.8 | Low | 109 Ų | 109 | 104.5 Ų | 104.5 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -144.7 | -162.3 | 174.1 | 0 | 0 | 109.9 | D1125 L1126 E1127 A1132 R1133 | D1125-E1129 VanDerWaalsContact O-CA 3.22Å; D1125-E1129 WeakPolarHBondContact O-CA 2.67Å; D1125-E1129 WeakPolarHBondContact O-CB 2.78Å; D1125-E1129 PolarHBondContact O-N 2.77Å; L1126-E1129 CarbonylContact O-C 3.37Å; L1126-E1129 PolarHBondContact O-N 2.49Å; E1127-E1129 VanDerWaalsContact C-N 3.29Å; E1129-A1132 CarbonylContact O-C 3.52Å; E1129-A1132 PolarHBondContact O-N 3.35Å; E1129-R1133 WeakPolarHBondContact O-CA 2.96Å; E1129-R1133 WeakPolarHBondContact O-CB 1.77Å; E1129-R1133 PolarHBondContact O-N 2.79Å | |
| 1130 | R | 66.7 | Low | 68.9 | Low | 154 Ų | 154 | 107.2 Ų | 107.2 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -94.9 | -176.3 | -178 | -168.1 | 1.6 | 109.9 | L1126 E1127 A1132 R1133 D1134 | L1126-R1130 HydrophobicContact CG-CG 4.33Å; L1126-R1130 WeakPolarHBondContact O-CA 3.44Å; L1126-R1130 WeakPolarHBondContact O-CB 3.47Å; L1126-R1130 WeakPolarHBondContact O-CG 3.48Å; L1126-R1130 PolarHBondContact O-N 2.77Å; E1127-R1130 CarbonylContact O-C 3.55Å; E1127-R1130 PolarHBondContact O-N 3.44Å; R1130-A1132 VanDerWaalsContact C-N 3.29Å; R1130-R1133 CarbonylContact O-C 3.54Å; R1130-R1133 PolarHBondContact O-N 3.43Å; R1130-D1134 VanDerWaalsContact O-CA 3.27Å; R1130-D1134 WeakPolarHBondContact O-CA 2.3Å; R1130-D1134 WeakPolarHBondContact O-CB 2.13Å; R1130-D1134 PolarHBondContact O-N 3.2Å | |
| 1131 | M | 69.3 | Low | 68.9 | Low | 132 Ų | 132 | 110.4 Ų | 110.4 | 65% | 0.65 | 54% | 0.541 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -83.2 | -158.9 | -134.1 | 0 | 0 | 111.3 | E1127 K1135 | E1127-M1131 WeakPolarHBondContact O-CA 2.19Å; E1127-M1131 WeakPolarHBondContact O-CB 3.42Å; E1127-M1131 WeakPolarHBondContact O-CG 2.22Å; E1127-M1131 PolarHBondContact O-N 2.98Å; M1131-K1135 WeakPolarHBondContact O-CB 3.01Å; M1131-K1135 PolarHBondContact O-N 3.34Å | |
| 1132 | A | 69.6 | Low | 69 | Low | 58 Ų | 58 | 109.9 Ų | 109.9 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | A1128 E1129 R1130 K1135 A1136 | A1128-A1132 WeakPolarHBondContact O-CA 2.24Å; A1128-A1132 WeakPolarHBondContact O-CB 3.44Å; A1128-A1132 PolarHBondContact O-N 3.19Å; E1129-A1132 CarbonylContact O-C 3.52Å; E1129-A1132 PolarHBondContact O-N 3.35Å; R1130-A1132 VanDerWaalsContact C-N 3.29Å; A1132-K1135 PolarHBondContact O-N 3.25Å; A1132-A1136 WeakPolarHBondContact O-CA 2.1Å; A1132-A1136 WeakPolarHBondContact O-CB 1.99Å; A1132-A1136 PolarHBondContact O-N 2.89Å | |
| 1133 | R | 68.3 | Low | 69.1 | Low | 155 Ų | 155 | 109.7 Ų | 109.7 | 59% | 0.585 | 54% | 0.54 | S | S | * | . | H | α-helix | 0 | -39.3 | 0 | -146.1 | 180 | 179.7 | 131.1 | 0.1 | 109.9 | E1129 R1130 K1135 A1136 D1137 | E1129-R1133 WeakPolarHBondContact O-CA 2.96Å; E1129-R1133 WeakPolarHBondContact O-CB 1.77Å; E1129-R1133 PolarHBondContact O-N 2.79Å; R1130-R1133 CarbonylContact O-C 3.54Å; R1130-R1133 PolarHBondContact O-N 3.43Å; R1133-K1135 VanDerWaalsContact C-N 3.3Å; R1133-A1136 CarbonylContact O-C 3.58Å; R1133-A1136 PolarHBondContact O-N 3.37Å; R1133-A1136 VanDerWaalsContact O-N 3.14Å; R1133-D1137 WeakPolarHBondContact O-CA 1.81Å; R1133-D1137 WeakPolarHBondContact O-CB 2.39Å; R1133-D1137 VanDerWaalsContact O-CG 3.26Å; R1133-D1137 PolarHBondContact O-N 2.79Å | |
| 1134 | D | 67.5 | Low | 69.2 | Low | 99 Ų | 99 | 106.7 Ų | 106.7 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | 0 | 175.9 | -77.7 | -14 | 0 | 0 | 0 | 110.8 | R1130 A1136 D1137 E1138 | R1130-D1134 VanDerWaalsContact O-CA 3.27Å; R1130-D1134 WeakPolarHBondContact O-CA 2.3Å; R1130-D1134 WeakPolarHBondContact O-CB 2.13Å; R1130-D1134 PolarHBondContact O-N 3.2Å; D1134-A1136 VanDerWaalsContact C-N 3.34Å; D1134-D1137 PolarHBondContact O-N 2.9Å; D1134-E1138 WeakPolarHBondContact O-CA 2.09Å; D1134-E1138 WeakPolarHBondContact O-CB 2.38Å; D1134-E1138 PolarHBondContact O-N 3.4Å |
| 1135 | K | 71 | Confident | 69.3 | Low | 162 Ų | 162 | 107 Ų | 107 | 70% | 0.704 | 54% | 0.535 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -106.7 | -178.7 | -177.3 | 179.6 | 0 | 111.4 | M1131 A1132 R1133 A1139 | M1131-K1135 WeakPolarHBondContact O-CB 3.01Å; M1131-K1135 PolarHBondContact O-N 3.34Å; A1132-K1135 PolarHBondContact O-N 3.25Å; R1133-K1135 VanDerWaalsContact C-N 3.3Å; K1135-A1139 WeakPolarHBondContact O-CB 1.83Å; K1135-A1139 PolarHBondContact O-N 2.89Å | |
| 1136 | A | 70.5 | Confident | 69.4 | Low | 54 Ų | 54 | 107.9 Ų | 107.9 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | A1132 R1133 D1134 A1139 K1140 | A1132-A1136 WeakPolarHBondContact O-CA 2.1Å; A1132-A1136 WeakPolarHBondContact O-CB 1.99Å; A1132-A1136 PolarHBondContact O-N 2.89Å; R1133-A1136 CarbonylContact O-C 3.58Å; R1133-A1136 PolarHBondContact O-N 3.37Å; R1133-A1136 VanDerWaalsContact O-N 3.14Å; D1134-A1136 VanDerWaalsContact C-N 3.34Å; A1136-A1139 CarbonylContact O-C 3.4Å; A1136-A1139 PolarHBondContact O-N 3.47Å; A1136-K1140 WeakPolarHBondContact O-CA 2.12Å; A1136-K1140 WeakPolarHBondContact O-CB 3.29Å; A1136-K1140 PolarHBondContact O-N 3.25Å | |
| 1137 | D | 68 | Low | 69.4 | Low | 73 Ų | 73 | 107.6 Ų | 107.6 | 39% | 0.39 | 54% | 0.537 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -88.6 | -12.1 | 0 | 0 | 0 | 109.5 | R1133 D1134 K1140 R1141 | R1133-D1137 WeakPolarHBondContact O-CA 1.81Å; R1133-D1137 WeakPolarHBondContact O-CB 2.39Å; R1133-D1137 VanDerWaalsContact O-CG 3.26Å; R1133-D1137 PolarHBondContact O-N 2.79Å; D1134-D1137 PolarHBondContact O-N 2.9Å; D1137-K1140 CarbonylContact O-C 3.43Å; D1137-K1140 PolarHBondContact O-N 2.9Å; D1137-R1141 WeakPolarHBondContact O-CA 3.22Å; D1137-R1141 WeakPolarHBondContact O-CB 3.31Å; D1137-R1141 PolarHBondContact O-N 2.93Å | |
| 1138 | E | 70 | Confident | 69.4 | Low | 124 Ų | 124 | 107.6 Ų | 107.6 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | 0 | -37.1 | 0 | -149 | 163.9 | -174.9 | 0 | 0 | 111.1 | D1134 D1142 | D1134-E1138 WeakPolarHBondContact O-CA 2.09Å; D1134-E1138 WeakPolarHBondContact O-CB 2.38Å; D1134-E1138 PolarHBondContact O-N 3.4Å; E1138-D1142 VanDerWaalsContact O-CB 3.23Å; E1138-D1142 WeakPolarHBondContact O-CB 3.11Å; E1138-D1142 PolarHBondContact O-N 3.43Å | |
| 1139 | A | 69.2 | Low | 69.5 | Low | 48 Ų | 48 | 107.4 Ų | 107.4 | 40% | 0.397 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.7 | 0 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K1135 A1136 L1143 | K1135-A1139 WeakPolarHBondContact O-CB 1.83Å; K1135-A1139 PolarHBondContact O-N 2.89Å; A1136-A1139 CarbonylContact O-C 3.4Å; A1136-A1139 PolarHBondContact O-N 3.47Å; A1139-L1143 WeakPolarHBondContact O-CB 2.68Å; A1139-L1143 VanDerWaalsContact O-CD1 3.3Å; A1139-L1143 WeakPolarHBondContact O-CD1 2.62Å; A1139-L1143 PolarHBondContact O-N 3.27Å |
| 1140 | K | 70.1 | Confident | 69.1 | Low | 144 Ų | 144 | 106.1 Ų | 106.1 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -147.7 | -176 | 168.7 | -178.8 | 0 | 109.9 | A1136 D1137 L1143 T1144 | A1136-K1140 WeakPolarHBondContact O-CA 2.12Å; A1136-K1140 WeakPolarHBondContact O-CB 3.29Å; A1136-K1140 PolarHBondContact O-N 3.25Å; D1137-K1140 CarbonylContact O-C 3.43Å; D1137-K1140 PolarHBondContact O-N 2.9Å; K1140-L1143 CarbonylContact O-C 3.51Å; K1140-L1143 PolarHBondContact O-N 3.43Å; K1140-T1144 WeakPolarHBondContact O-CA 2.15Å; K1140-T1144 WeakPolarHBondContact O-CB 2.04Å; K1140-T1144 PolarHBondContact O-N 3.31Å; K1140-T1144 PolarHBondContact O-OG1 2.83Å | |
| 1141 | R | 71.1 | Confident | 69 | Low | 187 Ų | 187 | 107.1 Ų | 107.1 | 71% | 0.706 | 53% | 0.534 | S | S | * | . | H | α-helix | 0 | -40.6 | 0 | -108.5 | -179.6 | -179.1 | 152.9 | 0.6 | 111.1 | D1137 L1143 T1144 E1145 | D1137-R1141 WeakPolarHBondContact O-CA 3.22Å; D1137-R1141 WeakPolarHBondContact O-CB 3.31Å; D1137-R1141 PolarHBondContact O-N 2.93Å; R1141-L1143 VanDerWaalsContact C-N 3.33Å; R1141-T1144 PolarHBondContact O-N 3.49Å; R1141-E1145 WeakPolarHBondContact O-CA 2.28Å; R1141-E1145 WeakPolarHBondContact O-CB 1.85Å; R1141-E1145 WeakPolarHBondContact O-CG 2.25Å; R1141-E1145 PolarHBondContact O-N 3.2Å | |
| 1142 | D | 72.3 | Confident | 68.7 | Low | 90 Ų | 90 | 106.3 Ų | 106.3 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67 | 0 | 176.7 | -74.5 | -13.8 | 0 | 0 | 0 | 111.3 | E1138 E1146 | E1138-D1142 VanDerWaalsContact O-CB 3.23Å; E1138-D1142 WeakPolarHBondContact O-CB 3.11Å; E1138-D1142 PolarHBondContact O-N 3.43Å; D1142-E1146 VanDerWaalsContact O-CB 3.22Å; D1142-E1146 WeakPolarHBondContact O-CB 2.06Å; D1142-E1146 PolarHBondContact O-N 2.98Å |
| 1143 | L | 66.7 | Low | 68.6 | Low | 106 Ų | 106 | 110.2 Ų | 110.2 | 56% | 0.555 | 54% | 0.54 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -103.5 | 138.2 | 0 | 0 | 0 | 110 | A1139 K1140 R1141 E1146 V1147 | A1139-L1143 WeakPolarHBondContact O-CB 2.68Å; A1139-L1143 VanDerWaalsContact O-CD1 3.3Å; A1139-L1143 WeakPolarHBondContact O-CD1 2.62Å; A1139-L1143 PolarHBondContact O-N 3.27Å; K1140-L1143 CarbonylContact O-C 3.51Å; K1140-L1143 PolarHBondContact O-N 3.43Å; R1141-L1143 VanDerWaalsContact C-N 3.33Å; L1143-E1146 PolarHBondContact O-N 2.96Å; L1143-V1147 WeakPolarHBondContact O-CA 1.9Å; L1143-V1147 WeakPolarHBondContact O-CB 2.01Å; L1143-V1147 WeakPolarHBondContact O-CG2 3.24Å; L1143-V1147 PolarHBondContact O-N 3.15Å | |
| 1144 | T | 69.1 | Low | 67.9 | Low | 69 Ų | 69 | 108.3 Ų | 108.3 | 42% | 0.423 | 54% | 0.541 | S | S | . | . | H | α-helix | 0 | -38.3 | 0 | -26.9 | 0 | 0 | 0 | 0 | 109.5 | K1140 R1141 E1146 V1147 E1148 | K1140-T1144 WeakPolarHBondContact O-CA 2.15Å; K1140-T1144 WeakPolarHBondContact O-CB 2.04Å; K1140-T1144 PolarHBondContact O-N 3.31Å; K1140-T1144 PolarHBondContact O-OG1 2.83Å; R1141-T1144 PolarHBondContact O-N 3.49Å; T1144-E1146 PolarHBondContact O-N 3.16Å; T1144-V1147 CarbonylContact O-C 3.48Å; T1144-V1147 PolarHBondContact O-N 3.33Å; T1144-E1148 VanDerWaalsContact O-CB 3.23Å; T1144-E1148 WeakPolarHBondContact O-CB 1.42Å; T1144-E1148 PolarHBondContact O-N 3.04Å | |
| 1145 | E | 71.3 | Confident | 67.7 | Low | 125 Ų | 125 | 110.1 Ų | 110.1 | 58% | 0.584 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.5 | -32.1 | 174.5 | -93.2 | 178.5 | -177.7 | 0 | 0 | 111.2 | R1141 V1147 A1149 | R1141-E1145 WeakPolarHBondContact O-CA 2.28Å; R1141-E1145 WeakPolarHBondContact O-CB 1.85Å; R1141-E1145 WeakPolarHBondContact O-CG 2.25Å; R1141-E1145 PolarHBondContact O-N 3.2Å; E1145-V1147 VanDerWaalsContact C-N 3.32Å; E1145-A1149 WeakPolarHBondContact O-CA 2.64Å; E1145-A1149 WeakPolarHBondContact O-CB 2.15Å; E1145-A1149 PolarHBondContact O-N 3.24Å |
| 1146 | E | 70.8 | Confident | 67 | Low | 118 Ų | 118 | 109 Ų | 109 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -74.8 | 0 | 176.3 | -110.3 | -179.5 | -177.4 | 0 | 0 | 110.7 | D1142 L1143 T1144 M1150 | D1142-E1146 VanDerWaalsContact O-CB 3.22Å; D1142-E1146 WeakPolarHBondContact O-CB 2.06Å; D1142-E1146 PolarHBondContact O-N 2.98Å; L1143-E1146 PolarHBondContact O-N 2.96Å; T1144-E1146 PolarHBondContact O-N 3.16Å; E1146-M1150 WeakPolarHBondContact O-CB 1.93Å; E1146-M1150 WeakPolarHBondContact O-CG 2.47Å; E1146-M1150 PolarHBondContact O-N 3.38Å |
| 1147 | V | 66.3 | Low | 66.2 | Low | 73 Ų | 73 | 109.9 Ų | 109.9 | 44% | 0.442 | 55% | 0.553 | S | S | . | * | H | α-helix | 0 | -32.6 | 0 | 169.4 | 0 | 0 | 0 | 0 | 108.7 | L1143 T1144 E1145 M1150 R1151 | L1143-V1147 WeakPolarHBondContact O-CA 1.9Å; L1143-V1147 WeakPolarHBondContact O-CB 2.01Å; L1143-V1147 WeakPolarHBondContact O-CG2 3.24Å; L1143-V1147 PolarHBondContact O-N 3.15Å; T1144-V1147 CarbonylContact O-C 3.48Å; T1144-V1147 PolarHBondContact O-N 3.33Å; E1145-V1147 VanDerWaalsContact C-N 3.32Å; V1147-M1150 PolarHBondContact O-N 3.07Å; V1147-R1151 WeakPolarHBondContact O-CA 2.13Å; V1147-R1151 WeakPolarHBondContact O-CB 2.42Å; V1147-R1151 PolarHBondContact O-N 2.99Å | |
| 1148 | E | 69.3 | Low | 65 | Low | 120 Ų | 120 | 109.2 Ų | 109.2 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -79.2 | 0 | 177.8 | -90.2 | -164 | 172.7 | 0 | 0 | 110.3 | T1144 M1150 R1151 L1152 | T1144-E1148 VanDerWaalsContact O-CB 3.23Å; T1144-E1148 WeakPolarHBondContact O-CB 1.42Å; T1144-E1148 PolarHBondContact O-N 3.04Å; E1148-M1150 VanDerWaalsContact C-N 3.29Å; E1148-R1151 PolarHBondContact O-N 2.87Å; E1148-L1152 VanDerWaalsContact O-CB 3.22Å; E1148-L1152 WeakPolarHBondContact O-CB 1.88Å; E1148-L1152 PolarHBondContact O-N 3.49Å |
| 1149 | A | 73 | Confident | 64 | Low | 55 Ų | 55 | 109.4 Ų | 109.4 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1145 E1153 | E1145-A1149 WeakPolarHBondContact O-CA 2.64Å; E1145-A1149 WeakPolarHBondContact O-CB 2.15Å; E1145-A1149 PolarHBondContact O-N 3.24Å; A1149-E1153 WeakPolarHBondContact O-CB 2.31Å; A1149-E1153 PolarHBondContact O-N 3.23Å | |
| 1150 | M | 60.4 | Low | 63.1 | Low | 83 Ų | 83 | 114.1 Ų | 114.1 | 41% | 0.409 | 59% | 0.593 | S | S | . | * | H | α-helix | 0 | 0 | 0 | -81.9 | -152.7 | -84.4 | 0 | 0 | 110.1 | E1146 V1147 E1148 E1153 L1154 Y1171 | E1146-M1150 WeakPolarHBondContact O-CB 1.93Å; E1146-M1150 WeakPolarHBondContact O-CG 2.47Å; E1146-M1150 PolarHBondContact O-N 3.38Å; V1147-M1150 PolarHBondContact O-N 3.07Å; E1148-M1150 VanDerWaalsContact C-N 3.29Å; M1150-E1153 CarbonylContact O-C 3.23Å; M1150-E1153 PolarHBondContact O-N 3.48Å; M1150-L1154 WeakPolarHBondContact O-CB 2.13Å; M1150-L1154 PolarHBondContact O-N 3.39Å; M1150-Y1171 WeakPolarHBondContact CE-OH 3.42Å | |
| 1151 | R | 65.2 | Low | 62.4 | Low | 174 Ų | 174 | 112 Ų | 112 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | H | α-helix | 0 | -31.1 | 0 | -119.7 | -174 | -179.1 | 174.1 | 0.9 | 110.2 | V1147 E1148 L1154 I1155 | V1147-R1151 WeakPolarHBondContact O-CA 2.13Å; V1147-R1151 WeakPolarHBondContact O-CB 2.42Å; V1147-R1151 PolarHBondContact O-N 2.99Å; E1148-R1151 PolarHBondContact O-N 2.87Å; R1151-L1154 PolarHBondContact O-N 2.31Å; R1151-I1155 WeakPolarHBondContact O-CB 3.36Å; R1151-I1155 WeakPolarHBondContact O-CG1 2.39Å; R1151-I1155 PolarHBondContact O-N 3.14Å | |
| 1152 | L | 62.6 | Low | 62 | Low | 116 Ų | 116 | 111 Ų | 111 | 61% | 0.607 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -80.7 | 0 | 176.5 | -108.3 | 135.6 | 0 | 0 | 0 | 110.1 | E1148 D1156 | E1148-L1152 VanDerWaalsContact O-CB 3.22Å; E1148-L1152 WeakPolarHBondContact O-CB 1.88Å; E1148-L1152 PolarHBondContact O-N 3.49Å; L1152-D1156 WeakPolarHBondContact O-CB 3.39Å; L1152-D1156 PolarHBondContact O-N 2.94Å |
| 1153 | E | 67.3 | Low | 61.4 | Low | 140 Ų | 140 | 110.4 Ų | 110.4 | 65% | 0.654 | 61% | 0.607 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -94.9 | -177.8 | -178.2 | 0 | 0 | 110.8 | A1149 M1150 D1156 S1157 | A1149-E1153 WeakPolarHBondContact O-CB 2.31Å; A1149-E1153 PolarHBondContact O-N 3.23Å; M1150-E1153 CarbonylContact O-C 3.23Å; M1150-E1153 PolarHBondContact O-N 3.48Å; E1153-D1156 PolarHBondContact O-N 2.97Å; E1153-S1157 PolarHBondContact O-N 2.9Å; E1153-S1157 PolarHBondContact O-OG 3.39Å | |
| 1154 | L | 54.4 | Low | 60.8 | Low | 115 Ų | 115 | 109.1 Ų | 109.1 | 60% | 0.602 | 60% | 0.598 | S | S | * | * | H | α-helix | 0 | -18 | 0 | -150.8 | 97.8 | 0 | 0 | 0 | 109.8 | M1150 R1151 | M1150-L1154 WeakPolarHBondContact O-CB 2.13Å; M1150-L1154 PolarHBondContact O-N 3.39Å; R1151-L1154 PolarHBondContact O-N 2.31Å | |
| 1155 | I | 62.6 | Low | 60.6 | Low | 136 Ų | 136 | 109.1 Ų | 109.1 | 70% | 0.697 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -94.3 | 0 | 177.4 | -71.2 | 174.2 | 0 | 0 | 0 | 108.7 | R1151 | R1151-I1155 WeakPolarHBondContact O-CB 3.36Å; R1151-I1155 WeakPolarHBondContact O-CG1 2.39Å; R1151-I1155 PolarHBondContact O-N 3.14Å |
| 1156 | D | 56.8 | Low | 60.4 | Low | 140 Ų | 140 | 110.1 Ų | 110.1 | 75% | 0.749 | 60% | 0.603 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -106.8 | -1.1 | 0 | 0 | 0 | 109.8 | L1152 E1153 | L1152-D1156 WeakPolarHBondContact O-CB 3.39Å; L1152-D1156 PolarHBondContact O-N 2.94Å; E1153-D1156 PolarHBondContact O-N 2.97Å | |
| 1157 | S | 53.1 | Low | 60 | Low | 71 Ų | 71 | 107 Ų | 107 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | 0 | 54.2 | 0 | 49.8 | 0 | 0 | 0 | 0 | 109.2 | E1153 T1159 | E1153-S1157 PolarHBondContact O-N 2.9Å; E1153-S1157 PolarHBondContact O-OG 3.39Å; S1157-T1159 PolarHBondContact O-N 3.16Å | |||
| 1158 | G | 43.2 | Very low | 59.7 | Low | 60 Ų | 60 | 107.9 Ų | 107.9 | 62% | 0.619 | 60% | 0.599 | S | S | * | * | trans | -68.9 | 0 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1159 | T | 48.6 | Very low | 59.8 | Low | 127 Ų | 127 | 110.7 Ų | 110.7 | 78% | 0.779 | 60% | 0.604 | S | S | * | * | 0 | 0 | 0 | 45.8 | 0 | 0 | 0 | 0 | 109 | S1157 | S1157-T1159 PolarHBondContact O-N 3.16Š| |||
| 1160 | N | 51 | Low | 59.8 | Low | 148 Ų | 148 | 115.7 Ų | 115.7 | 79% | 0.791 | 62% | 0.615 | S | S | * | * | 0 | 88.7 | 0 | -99.7 | -8.6 | 0 | 0 | 0 | 109.6 | |||||
| 1161 | S | 55.7 | Low | 59.8 | Low | 99 Ų | 99 | 117.9 Ų | 117.9 | 69% | 0.692 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | 30.3 | -179.5 | 165.4 | 0 | 0 | 0 | 0 | 111 | T1165 | S1161-T1165 PolarHBondContact O-OG1 2.83Š|
| 1162 | E | 63.1 | Low | 60.1 | Low | 167 Ų | 167 | 115.6 Ų | 115.6 | 78% | 0.78 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.9 | 0 | 161.7 | -103.4 | 177.4 | 179.9 | 0 | 0 | 109.9 | T1165 | E1162-T1165 VanDerWaalsContact CA-OG1 3.26Å; E1162-T1165 WeakPolarHBondContact CA-OG1 3.44Å; E1162-T1165 PolarHBondContact O-N 3.09Å; E1162-T1165 PolarHBondContact O-OG1 3.49Å |
| 1163 | A | 58.5 | Low | 60.8 | Low | 77 Ų | 77 | 112.9 Ų | 112.9 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1167 | A1163-A1167 VanDerWaalsContact O-CB 3.3Å; A1163-A1167 WeakPolarHBondContact O-CB 3.23Å; A1163-A1167 PolarHBondContact O-N 3.2Å | |
| 1164 | Q | 54.5 | Low | 61.2 | Low | 78 Ų | 78 | 110.5 Ų | 110.5 | 36% | 0.364 | 60% | 0.6 | S | S | . | * | H | α-helix | 0 | -20 | 0 | -122.3 | -179.7 | 0.6 | 0 | 0 | 110.9 | L1168 | Q1164-L1168 WeakPolarHBondContact O-CA 3.16Å; Q1164-L1168 WeakPolarHBondContact O-CB 3.37Å; Q1164-L1168 WeakPolarHBondContact O-CD1 3.39Å; Q1164-L1168 WeakPolarHBondContact O-CG 3.36Å; Q1164-L1168 PolarHBondContact O-N 3.02Å | |
| 1165 | T | 63.9 | Low | 61.7 | Low | 70 Ų | 70 | 109.1 Ų | 109.1 | 43% | 0.429 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -86.4 | -25.6 | 178.7 | -1 | 0 | 0 | 0 | 0 | 110.1 | S1161 E1162 L1168 R1169 | S1161-T1165 PolarHBondContact O-OG1 2.83Å; E1162-T1165 VanDerWaalsContact CA-OG1 3.26Å; E1162-T1165 WeakPolarHBondContact CA-OG1 3.44Å; E1162-T1165 PolarHBondContact O-N 3.09Å; E1162-T1165 PolarHBondContact O-OG1 3.49Å; T1165-L1168 PolarHBondContact O-N 3.47Å; T1165-R1169 WeakPolarHBondContact O-CB 3.34Å; T1165-R1169 VanDerWaalsContact O-CG 3.3Å; T1165-R1169 WeakPolarHBondContact O-CG 3.42Å; T1165-R1169 PolarHBondContact O-N 3.28Å |
| 1166 | Q | 68.9 | Low | 62.3 | Low | 146 Ų | 146 | 105.5 Ų | 105.5 | 68% | 0.682 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -87 | -28 | 178.5 | -112 | 178.7 | 7.4 | 0 | 0 | 110.8 | L1168 R1169 K1170 | Q1166-L1168 VanDerWaalsContact C-N 3.28Å; Q1166-R1169 PolarHBondContact O-N 3.02Å; Q1166-K1170 PolarHBondContact O-N 3.46Å |
| 1167 | A | 61.5 | Low | 63.2 | Low | 52 Ų | 52 | 103.1 Ų | 103.1 | 43% | 0.43 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -78 | 0 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A1163 K1170 Y1171 | A1163-A1167 VanDerWaalsContact O-CB 3.3Å; A1163-A1167 WeakPolarHBondContact O-CB 3.23Å; A1163-A1167 PolarHBondContact O-N 3.2Å; A1167-K1170 PolarHBondContact O-N 2.89Å; A1167-Y1171 WeakPolarHBondContact O-CA 2.7Å; A1167-Y1171 WeakPolarHBondContact O-CB 3.42Å; A1167-Y1171 WeakPolarHBondContact O-CD2 2.94Å; A1167-Y1171 PolarHBondContact O-N 3.19Å |
| 1168 | L | 61 | Low | 63.9 | Low | 92 Ų | 92 | 104.8 Ų | 104.8 | 48% | 0.482 | 57% | 0.569 | S | S | . | * | H | α-helix | 0 | -28.4 | 0 | -93.4 | 157.6 | 0 | 0 | 0 | 110.6 | Q1164 T1165 Q1166 Y1171 E1172 | Q1164-L1168 WeakPolarHBondContact O-CA 3.16Å; Q1164-L1168 WeakPolarHBondContact O-CB 3.37Å; Q1164-L1168 WeakPolarHBondContact O-CD1 3.39Å; Q1164-L1168 WeakPolarHBondContact O-CG 3.36Å; Q1164-L1168 PolarHBondContact O-N 3.02Å; T1165-L1168 PolarHBondContact O-N 3.47Å; Q1166-L1168 VanDerWaalsContact C-N 3.28Å; L1168-Y1171 CarbonylContact O-C 3.27Å; L1168-Y1171 PolarHBondContact O-N 3.42Å; L1168-E1172 WeakPolarHBondContact O-CA 3.41Å; L1168-E1172 WeakPolarHBondContact O-CB 3.04Å; L1168-E1172 VanDerWaalsContact O-CG 3.24Å; L1168-E1172 WeakPolarHBondContact O-CG 2.79Å; L1168-E1172 PolarHBondContact O-N 3.44Å | |
| 1169 | R | 70.2 | Confident | 65.3 | Low | 179 Ų | 179 | 110.3 Ų | 110.3 | 68% | 0.675 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -78.2 | -34 | 177.4 | -84.1 | -174.2 | -176 | 168.1 | -1.1 | 110.6 | T1165 Q1166 E1172 S1173 | T1165-R1169 WeakPolarHBondContact O-CB 3.34Å; T1165-R1169 VanDerWaalsContact O-CG 3.3Å; T1165-R1169 WeakPolarHBondContact O-CG 3.42Å; T1165-R1169 PolarHBondContact O-N 3.28Å; Q1166-R1169 PolarHBondContact O-N 3.02Å; R1169-E1172 PolarHBondContact O-N 3.2Å; R1169-S1173 VanDerWaalsContact O-CB 3.26Å; R1169-S1173 WeakPolarHBondContact O-CB 2.77Å; R1169-S1173 PolarHBondContact O-N 3.36Å |
| 1170 | K | 73.5 | Confident | 66.5 | Low | 159 Ų | 159 | 110 Ų | 110 | 69% | 0.691 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -76.8 | -28.5 | 176.3 | -123.7 | -177.6 | 178.2 | -178.9 | 0 | 110.6 | Q1166 A1167 E1172 S1173 D1174 | Q1166-K1170 PolarHBondContact O-N 3.46Å; A1167-K1170 PolarHBondContact O-N 2.89Å; K1170-E1172 VanDerWaalsContact C-N 3.32Å; K1170-S1173 PolarHBondContact O-N 3.05Å; K1170-D1174 WeakPolarHBondContact O-CB 3.37Å; K1170-D1174 VanDerWaalsContact O-CG 3.32Å; K1170-D1174 PolarHBondContact O-N 2.37Å |
| 1171 | Y | 60.2 | Low | 67.6 | Low | 129 Ų | 129 | 109.5 Ų | 109.5 | 51% | 0.506 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -75.3 | 0 | 175.5 | -121.1 | -83.2 | 0 | 0 | 0 | 110.2 | M1150 A1167 L1168 L1175 | M1150-Y1171 WeakPolarHBondContact CE-OH 3.42Å; A1167-Y1171 WeakPolarHBondContact O-CA 2.7Å; A1167-Y1171 WeakPolarHBondContact O-CB 3.42Å; A1167-Y1171 WeakPolarHBondContact O-CD2 2.94Å; A1167-Y1171 PolarHBondContact O-N 3.19Å; L1168-Y1171 CarbonylContact O-C 3.27Å; L1168-Y1171 PolarHBondContact O-N 3.42Å; Y1171-L1175 HydrophobicContact CD1-CD1 4.29Å; Y1171-L1175 WeakPolarHBondContact O-CA 2.61Å; Y1171-L1175 WeakPolarHBondContact O-CB 3.42Å; Y1171-L1175 PolarHBondContact O-N 3.18Å |
| 1172 | E | 72.4 | Confident | 68.1 | Low | 126 Ų | 126 | 110.4 Ų | 110.4 | 59% | 0.589 | 55% | 0.55 | S | S | * | . | H | α-helix | 0 | -28.6 | 0 | -94.2 | 178.1 | 178.7 | 0 | 0 | 110.3 | L1168 R1169 K1170 S1176 | L1168-E1172 WeakPolarHBondContact O-CA 3.41Å; L1168-E1172 WeakPolarHBondContact O-CB 3.04Å; L1168-E1172 VanDerWaalsContact O-CG 3.24Å; L1168-E1172 WeakPolarHBondContact O-CG 2.79Å; L1168-E1172 PolarHBondContact O-N 3.44Å; R1169-E1172 PolarHBondContact O-N 3.2Å; K1170-E1172 VanDerWaalsContact C-N 3.32Å; E1172-S1176 WeakPolarHBondContact O-CA 2.77Å; E1172-S1176 WeakPolarHBondContact O-CB 3.23Å; E1172-S1176 PolarHBondContact O-N 3.31Å | |
| 1173 | S | 77.2 | Confident | 68.6 | Low | 59 Ų | 59 | 107.9 Ų | 107.9 | 41% | 0.413 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -78.9 | -37.1 | 178.1 | 159.8 | 0 | 0 | 0 | 0 | 110.2 | R1169 K1170 S1176 N1177 | R1169-S1173 VanDerWaalsContact O-CB 3.26Å; R1169-S1173 WeakPolarHBondContact O-CB 2.77Å; R1169-S1173 PolarHBondContact O-N 3.36Å; K1170-S1173 PolarHBondContact O-N 3.05Å; S1173-S1176 PolarHBondContact O-N 2.78Å; S1173-N1177 WeakPolarHBondContact O-CB 3.23Å; S1173-N1177 PolarHBondContact O-N 2.56Å |
| 1174 | D | 74.6 | Confident | 69.5 | Low | 91 Ų | 91 | 106.7 Ų | 106.7 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75.9 | 0 | 177.6 | -76.7 | -13.2 | 0 | 0 | 0 | 110.3 | K1170 S1176 N1177 L1178 | K1170-D1174 WeakPolarHBondContact O-CB 3.37Å; K1170-D1174 VanDerWaalsContact O-CG 3.32Å; K1170-D1174 PolarHBondContact O-N 2.37Å; D1174-S1176 VanDerWaalsContact C-N 3.3Å; D1174-N1177 PolarHBondContact O-N 2.92Å; D1174-L1178 WeakPolarHBondContact O-CB 3.22Å; D1174-L1178 PolarHBondContact O-N 2.82Å |
| 1175 | L | 66.1 | Low | 70.4 | Confident | 85 Ų | 85 | 109.8 Ų | 109.8 | 45% | 0.445 | 54% | 0.543 | S | S | . | . | H | α-helix | 0 | -31.8 | 0 | -113.3 | 152.3 | 0 | 0 | 0 | 111 | Y1171 R1179 | Y1171-L1175 HydrophobicContact CD1-CD1 4.29Å; Y1171-L1175 WeakPolarHBondContact O-CA 2.61Å; Y1171-L1175 WeakPolarHBondContact O-CB 3.42Å; Y1171-L1175 PolarHBondContact O-N 3.18Å; L1175-R1179 WeakPolarHBondContact O-CA 3.29Å; L1175-R1179 WeakPolarHBondContact O-CB 2.61Å; L1175-R1179 WeakPolarHBondContact O-CG 3.5Å; L1175-R1179 PolarHBondContact O-N 3.01Å | |
| 1176 | S | 74.6 | Confident | 70.8 | Confident | 61 Ų | 61 | 109.1 Ų | 109.1 | 43% | 0.427 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74.8 | -34.2 | 176.4 | 162.8 | 0 | 0 | 0 | 0 | 110.3 | E1172 S1173 D1174 R1179 H1180 | E1172-S1176 WeakPolarHBondContact O-CA 2.77Å; E1172-S1176 WeakPolarHBondContact O-CB 3.23Å; E1172-S1176 PolarHBondContact O-N 3.31Å; S1173-S1176 PolarHBondContact O-N 2.78Å; D1174-S1176 VanDerWaalsContact C-N 3.3Å; S1176-R1179 PolarHBondContact O-N 3.29Å; S1176-H1180 WeakPolarHBondContact O-CB 2.73Å; S1176-H1180 PolarHBondContact O-N 3.32Å |
| 1177 | N | 75.3 | Confident | 71.2 | Confident | 89 Ų | 89 | 106.7 Ų | 106.7 | 48% | 0.476 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -75.6 | -34.5 | 177.8 | -82.5 | -15.6 | 0 | 0 | 0 | 110.9 | S1173 D1174 R1179 H1180 Q1181 | S1173-N1177 WeakPolarHBondContact O-CB 3.23Å; S1173-N1177 PolarHBondContact O-N 2.56Å; D1174-N1177 PolarHBondContact O-N 2.92Å; N1177-R1179 VanDerWaalsContact C-N 3.26Å; N1177-H1180 PolarHBondContact O-N 3.22Å; N1177-Q1181 WeakPolarHBondContact O-CB 2.49Å; N1177-Q1181 PolarHBondContact O-N 3.41Å |
| 1178 | L | 67.9 | Low | 71.8 | Confident | 107 Ų | 107 | 108.2 Ų | 108.2 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -76.1 | -25.2 | 176.7 | -114.3 | 109.9 | 0 | 0 | 0 | 110.2 | D1174 Q1181 L1182 | D1174-L1178 WeakPolarHBondContact O-CB 3.22Å; D1174-L1178 PolarHBondContact O-N 2.82Å; L1178-Q1181 PolarHBondContact O-N 3.15Å; L1178-L1182 WeakPolarHBondContact O-CB 2.75Å; L1178-L1182 PolarHBondContact O-N 3.37Å |
| 1179 | R | 71.8 | Confident | 72.3 | Confident | 176 Ų | 176 | 110 Ų | 110 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -74.1 | -34.7 | 173.5 | -98.5 | -176.6 | -179.7 | 167.4 | -0.8 | 110.8 | L1175 S1176 N1177 L1182 E1183 | L1175-R1179 WeakPolarHBondContact O-CA 3.29Å; L1175-R1179 WeakPolarHBondContact O-CB 2.61Å; L1175-R1179 WeakPolarHBondContact O-CG 3.5Å; L1175-R1179 PolarHBondContact O-N 3.01Å; S1176-R1179 PolarHBondContact O-N 3.29Å; N1177-R1179 VanDerWaalsContact C-N 3.26Å; R1179-L1182 PolarHBondContact O-N 2.87Å; R1179-E1183 WeakPolarHBondContact O-CA 3.4Å; R1179-E1183 WeakPolarHBondContact O-CB 3.36Å; R1179-E1183 PolarHBondContact O-N 2.83Å |
| 1180 | H | 75 | Confident | 72.4 | Confident | 121 Ų | 121 | 106.6 Ų | 106.6 | 56% | 0.56 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73.8 | -30.4 | 177 | -133.4 | -32 | 0 | 0 | 0 | 110.4 | S1176 N1177 E1183 A1184 | S1176-H1180 WeakPolarHBondContact O-CB 2.73Å; S1176-H1180 PolarHBondContact O-N 3.32Å; N1177-H1180 PolarHBondContact O-N 3.22Å; H1180-E1183 PolarHBondContact O-N 3.18Å; H1180-A1184 WeakPolarHBondContact O-CB 2.79Å; H1180-A1184 PolarHBondContact O-N 3.11Å |
| 1181 | Q | 73.9 | Confident | 72.6 | Confident | 137 Ų | 137 | 101.3 Ų | 101.3 | 64% | 0.64 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -79 | 0 | 177.6 | -89.3 | 180 | 5.6 | 0 | 0 | 110.4 | N1177 L1178 A1184 Q1185 | N1177-Q1181 WeakPolarHBondContact O-CB 2.49Å; N1177-Q1181 PolarHBondContact O-N 3.41Å; L1178-Q1181 PolarHBondContact O-N 3.15Å; Q1181-A1184 PolarHBondContact O-N 2.81Å; Q1181-Q1185 VanDerWaalsContact O-CB 3.27Å; Q1181-Q1185 WeakPolarHBondContact O-CB 2.88Å; Q1181-Q1185 PolarHBondContact O-N 3.1Å |
| 1182 | L | 66 | Low | 73.2 | Confident | 117 Ų | 117 | 98.4 Ų | 98.4 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | 0 | -30.3 | 0 | -131.3 | 118.5 | 0 | 0 | 0 | 110.5 | L1178 R1179 Q1185 S1186 | L1178-L1182 WeakPolarHBondContact O-CB 2.75Å; L1178-L1182 PolarHBondContact O-N 3.37Å; R1179-L1182 PolarHBondContact O-N 2.87Å; L1182-Q1185 PolarHBondContact O-N 3Å; L1182-S1186 WeakPolarHBondContact O-CA 3.21Å; L1182-S1186 WeakPolarHBondContact O-CB 3.17Å; L1182-S1186 PolarHBondContact O-N 2.82Å | |
| 1183 | E | 74.4 | Confident | 73.3 | Confident | 115 Ų | 115 | 96.1 Ų | 96.1 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76.2 | 0 | 175.7 | -118.1 | 177 | -178.6 | 0 | 0 | 110.5 | R1179 H1180 S1186 N1187 | R1179-E1183 WeakPolarHBondContact O-CA 3.4Å; R1179-E1183 WeakPolarHBondContact O-CB 3.36Å; R1179-E1183 PolarHBondContact O-N 2.83Å; H1180-E1183 PolarHBondContact O-N 3.18Å; E1183-S1186 CarbonylContact O-C 3.56Å; E1183-S1186 PolarHBondContact O-N 3.27Å; E1183-N1187 WeakPolarHBondContact O-CA 3.37Å; E1183-N1187 WeakPolarHBondContact O-CB 3.32Å; E1183-N1187 PolarHBondContact O-N 3.47Å; E1183-N1187 PolarHBondContact O-ND2 2.88Å |
| 1184 | A | 76.4 | Confident | 73.1 | Confident | 51 Ų | 51 | 99.6 Ų | 99.6 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | 0 | -34.8 | 0 | 0 | 0 | 0 | 0 | 0 | 110.2 | H1180 Q1181 S1186 N1187 T1188 | H1180-A1184 WeakPolarHBondContact O-CB 2.79Å; H1180-A1184 PolarHBondContact O-N 3.11Å; Q1181-A1184 PolarHBondContact O-N 2.81Å; A1184-S1186 VanDerWaalsContact C-N 3.31Å; A1184-N1187 PolarHBondContact O-N 3.2Å; A1184-T1188 WeakPolarHBondContact O-CB 3.11Å; A1184-T1188 WeakPolarHBondContact O-CG2 3.31Å; A1184-T1188 PolarHBondContact O-N 3.46Å; A1184-T1188 PolarHBondContact O-OG1 2.84Å | |
| 1185 | Q | 74.1 | Confident | 73.1 | Confident | 143 Ų | 143 | 101.9 Ų | 101.9 | 67% | 0.668 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -78.4 | 0 | 177.4 | -92.8 | -162.8 | -17.8 | 0 | 0 | 110.1 | Q1181 L1182 T1188 H1189 | Q1181-Q1185 VanDerWaalsContact O-CB 3.27Å; Q1181-Q1185 WeakPolarHBondContact O-CB 2.88Å; Q1181-Q1185 PolarHBondContact O-N 3.1Å; L1182-Q1185 PolarHBondContact O-N 3Å; Q1185-T1188 WeakPolarHBondContact CA-OG1 3.25Å; Q1185-T1188 PolarHBondContact O-OG1 3.3Å; Q1185-H1189 WeakPolarHBondContact O-CB 3.48Å; Q1185-H1189 PolarHBondContact O-N 3.14Å |
| 1186 | S | 72.6 | Confident | 73.2 | Confident | 57 Ų | 57 | 103.2 Ų | 103.2 | 40% | 0.399 | 53% | 0.53 | S | S | . | . | H | α-helix | 0 | -36.2 | 0 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | L1182 E1183 A1184 H1189 E1190 | L1182-S1186 WeakPolarHBondContact O-CA 3.21Å; L1182-S1186 WeakPolarHBondContact O-CB 3.17Å; L1182-S1186 PolarHBondContact O-N 2.82Å; E1183-S1186 CarbonylContact O-C 3.56Å; E1183-S1186 PolarHBondContact O-N 3.27Å; A1184-S1186 VanDerWaalsContact C-N 3.31Å; S1186-H1189 CarbonylContact O-C 3.37Å; S1186-H1189 PolarHBondContact O-N 2.92Å; S1186-E1190 WeakPolarHBondContact O-CA 3.35Å; S1186-E1190 WeakPolarHBondContact O-CB 3.33Å; S1186-E1190 PolarHBondContact O-N 3.13Å | |
| 1187 | N | 76 | Confident | 73.1 | Confident | 94 Ų | 94 | 108.7 Ų | 108.7 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.1 | -34.9 | 177.1 | -80.7 | -14.5 | 0 | 0 | 0 | 111.1 | E1183 A1184 H1189 E1190 A1191 | E1183-N1187 WeakPolarHBondContact O-CA 3.37Å; E1183-N1187 WeakPolarHBondContact O-CB 3.32Å; E1183-N1187 PolarHBondContact O-N 3.47Å; E1183-N1187 PolarHBondContact O-ND2 2.88Å; A1184-N1187 PolarHBondContact O-N 3.2Å; N1187-H1189 VanDerWaalsContact C-N 3.27Å; N1187-E1190 CarbonylContact O-C 3.34Å; N1187-E1190 PolarHBondContact O-N 2.98Å; N1187-A1191 WeakPolarHBondContact O-CA 2.71Å; N1187-A1191 WeakPolarHBondContact O-CB 2.93Å; N1187-A1191 PolarHBondContact O-N 3.19Å |
| 1188 | T | 73.9 | Confident | 73.1 | Confident | 85 Ų | 85 | 112.5 Ų | 112.5 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.8 | 0 | 175.2 | 31.8 | 0 | 0 | 0 | 0 | 110.5 | A1184 Q1185 A1191 T1192 | A1184-T1188 WeakPolarHBondContact O-CB 3.11Å; A1184-T1188 WeakPolarHBondContact O-CG2 3.31Å; A1184-T1188 PolarHBondContact O-N 3.46Å; A1184-T1188 PolarHBondContact O-OG1 2.84Å; Q1185-T1188 WeakPolarHBondContact CA-OG1 3.25Å; Q1185-T1188 PolarHBondContact O-OG1 3.3Å; T1188-A1191 PolarHBondContact O-N 2.18Å; T1188-T1192 WeakPolarHBondContact O-CB 3.02Å; T1188-T1192 PolarHBondContact O-N 3.27Å; T1188-T1192 PolarHBondContact O-OG1 3.21Å |
| 1189 | H | 71.4 | Confident | 73.4 | Confident | 129 Ų | 129 | 110.6 Ų | 110.6 | 60% | 0.597 | 55% | 0.549 | S | S | * | . | H | α-helix | 0 | -33.5 | 0 | -119 | -15.9 | 0 | 0 | 0 | 110.2 | Q1185 S1186 N1187 A1191 T1192 I1193 | Q1185-H1189 WeakPolarHBondContact O-CB 3.48Å; Q1185-H1189 PolarHBondContact O-N 3.14Å; S1186-H1189 CarbonylContact O-C 3.37Å; S1186-H1189 PolarHBondContact O-N 2.92Å; N1187-H1189 VanDerWaalsContact C-N 3.27Å; H1189-A1191 VanDerWaalsContact C-N 3.33Å; H1189-T1192 WeakPolarHBondContact CA-OG1 3.17Å; H1189-T1192 PolarHBondContact O-N 2.84Å; H1189-T1192 PolarHBondContact O-OG1 3.32Å; H1189-I1193 VanDerWaalsContact O-CB 3.22Å; H1189-I1193 WeakPolarHBondContact O-CB 3.23Å; H1189-I1193 WeakPolarHBondContact O-CG1 3.29Å; H1189-I1193 PolarHBondContact O-N 3.41Å | |
| 1190 | E | 73.8 | Confident | 73.4 | Confident | 107 Ų | 107 | 107 Ų | 107 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -74.1 | -34 | 176.2 | -124.6 | 174.8 | -177.9 | 0 | 0 | 110.6 | S1186 N1187 T1192 I1193 Q1194 | S1186-E1190 WeakPolarHBondContact O-CA 3.35Å; S1186-E1190 WeakPolarHBondContact O-CB 3.33Å; S1186-E1190 PolarHBondContact O-N 3.13Å; N1187-E1190 CarbonylContact O-C 3.34Å; N1187-E1190 PolarHBondContact O-N 2.98Å; E1190-T1192 VanDerWaalsContact C-N 3.31Å; E1190-I1193 CarbonylContact O-C 3.53Å; E1190-I1193 PolarHBondContact O-N 2.84Å; E1190-Q1194 WeakPolarHBondContact O-CA 2.93Å; E1190-Q1194 WeakPolarHBondContact O-CB 3.16Å; E1190-Q1194 PolarHBondContact O-N 2.88Å |
| 1191 | A | 76.4 | Confident | 73.3 | Confident | 48 Ų | 48 | 103.6 Ų | 103.6 | 40% | 0.397 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.6 | -33.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | N1187 T1188 H1189 I1193 Q1194 E1195 | N1187-A1191 WeakPolarHBondContact O-CA 2.71Å; N1187-A1191 WeakPolarHBondContact O-CB 2.93Å; N1187-A1191 PolarHBondContact O-N 3.19Å; T1188-A1191 PolarHBondContact O-N 2.18Å; H1189-A1191 VanDerWaalsContact C-N 3.33Å; A1191-I1193 VanDerWaalsContact C-N 3.3Å; A1191-Q1194 PolarHBondContact O-N 3.48Å; A1191-E1195 WeakPolarHBondContact O-CB 2.38Å; A1191-E1195 PolarHBondContact O-N 2.77Å |
| 1192 | T | 73.9 | Confident | 73.5 | Confident | 69 Ų | 69 | 99.4 Ų | 99.4 | 42% | 0.423 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -76 | 0 | 177.6 | -0.6 | 0 | 0 | 0 | 0 | 109.8 | T1188 H1189 E1190 E1195 M1196 | T1188-T1192 WeakPolarHBondContact O-CB 3.02Å; T1188-T1192 PolarHBondContact O-N 3.27Å; T1188-T1192 PolarHBondContact O-OG1 3.21Å; H1189-T1192 WeakPolarHBondContact CA-OG1 3.17Å; H1189-T1192 PolarHBondContact O-N 2.84Å; H1189-T1192 PolarHBondContact O-OG1 3.32Å; E1190-T1192 VanDerWaalsContact C-N 3.31Å; T1192-E1195 PolarHBondContact O-N 3.35Å; T1192-M1196 WeakPolarHBondContact O-CB 2.76Å; T1192-M1196 WeakPolarHBondContact O-CG 2.77Å; T1192-M1196 PolarHBondContact O-N 2.73Å |
| 1193 | I | 73.2 | Confident | 73.7 | Confident | 78 Ų | 78 | 96.6 Ų | 96.6 | 40% | 0.4 | 51% | 0.509 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -73.4 | -179.8 | 0 | 0 | 0 | 109 | H1189 E1190 A1191 E1195 M1196 R1197 | H1189-I1193 VanDerWaalsContact O-CB 3.22Å; H1189-I1193 WeakPolarHBondContact O-CB 3.23Å; H1189-I1193 WeakPolarHBondContact O-CG1 3.29Å; H1189-I1193 PolarHBondContact O-N 3.41Å; E1190-I1193 CarbonylContact O-C 3.53Å; E1190-I1193 PolarHBondContact O-N 2.84Å; A1191-I1193 VanDerWaalsContact C-N 3.3Å; I1193-E1195 VanDerWaalsContact C-N 3.33Å; I1193-M1196 CarbonylContact O-C 3.5Å; I1193-M1196 PolarHBondContact O-N 3.22Å; I1193-M1196 VanDerWaalsContact O-N 3.17Å; I1193-R1197 HydrophobicContact CG2-CG 4.09Å; I1193-R1197 WeakPolarHBondContact O-CA 3.45Å; I1193-R1197 WeakPolarHBondContact O-CB 3.1Å; I1193-R1197 WeakPolarHBondContact O-CG 2.87Å; I1193-R1197 PolarHBondContact O-N 2.88Å | |
| 1194 | Q | 74.6 | Confident | 73.5 | Confident | 131 Ų | 131 | 96.7 Ų | 96.7 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -103.4 | -179.1 | -7.5 | 0 | 0 | 110.9 | E1190 A1191 M1196 R1197 K1198 | E1190-Q1194 WeakPolarHBondContact O-CA 2.93Å; E1190-Q1194 WeakPolarHBondContact O-CB 3.16Å; E1190-Q1194 PolarHBondContact O-N 2.88Å; A1191-Q1194 PolarHBondContact O-N 3.48Å; Q1194-M1196 VanDerWaalsContact C-N 3.26Å; Q1194-R1197 CarbonylContact O-C 3.16Å; Q1194-R1197 PolarHBondContact O-N 2.71Å; Q1194-K1198 WeakPolarHBondContact O-CA 3.21Å; Q1194-K1198 WeakPolarHBondContact O-CB 2.86Å; Q1194-K1198 PolarHBondContact O-N 3.35Å | |
| 1195 | E | 74.2 | Confident | 73.5 | Confident | 140 Ų | 140 | 100.4 Ų | 100.4 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | H | α-helix | 0 | -29.8 | 0 | -140.5 | 163 | -174 | 0 | 0 | 110.4 | A1191 T1192 I1193 S1199 | A1191-E1195 WeakPolarHBondContact O-CB 2.38Å; A1191-E1195 PolarHBondContact O-N 2.77Å; T1192-E1195 PolarHBondContact O-N 3.35Å; I1193-E1195 VanDerWaalsContact C-N 3.33Å; E1195-S1199 WeakPolarHBondContact O-CB 3.18Å; E1195-S1199 PolarHBondContact O-N 3.23Å | |
| 1196 | M | 68.7 | Low | 73.5 | Confident | 112 Ų | 112 | 96.9 Ų | 96.9 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -79.3 | 0 | 176.2 | -84.8 | -117.8 | -59.2 | 0 | 0 | 110 | T1192 I1193 Q1194 S1199 H1200 | T1192-M1196 WeakPolarHBondContact O-CB 2.76Å; T1192-M1196 WeakPolarHBondContact O-CG 2.77Å; T1192-M1196 PolarHBondContact O-N 2.73Å; I1193-M1196 CarbonylContact O-C 3.5Å; I1193-M1196 PolarHBondContact O-N 3.22Å; I1193-M1196 VanDerWaalsContact O-N 3.17Å; Q1194-M1196 VanDerWaalsContact C-N 3.26Å; M1196-S1199 CarbonylContact O-C 3.31Å; M1196-S1199 PolarHBondContact O-N 3.39Å; M1196-H1200 VanDerWaalsContact O-CA 3.32Å; M1196-H1200 WeakPolarHBondContact O-CA 3.25Å; M1196-H1200 WeakPolarHBondContact O-CB 2.98Å; M1196-H1200 PolarHBondContact O-CD2 3.18Å; M1196-H1200 PolarHBondContact O-N 3.34Å |
| 1197 | R | 72.4 | Confident | 73.3 | Confident | 177 Ų | 177 | 98.3 Ų | 98.3 | 67% | 0.668 | 51% | 0.512 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -83.7 | -174.3 | 176.9 | 173.5 | 0.1 | 110.2 | I1193 Q1194 S1199 H1200 A1201 | I1193-R1197 HydrophobicContact CG2-CG 4.09Å; I1193-R1197 WeakPolarHBondContact O-CA 3.45Å; I1193-R1197 WeakPolarHBondContact O-CB 3.1Å; I1193-R1197 WeakPolarHBondContact O-CG 2.87Å; I1193-R1197 PolarHBondContact O-N 2.88Å; Q1194-R1197 CarbonylContact O-C 3.16Å; Q1194-R1197 PolarHBondContact O-N 2.71Å; R1197-S1199 VanDerWaalsContact C-N 3.27Å; R1197-H1200 CarbonylContact O-C 3.37Å; R1197-H1200 PolarHBondContact O-N 3.48Å; R1197-A1201 WeakPolarHBondContact O-CA 3.14Å; R1197-A1201 WeakPolarHBondContact O-CB 3.3Å; R1197-A1201 PolarHBondContact O-N 2.99Å | |
| 1198 | K | 74.9 | Confident | 73.1 | Confident | 169 Ų | 169 | 98.5 Ų | 98.5 | 74% | 0.735 | 51% | 0.514 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -119.1 | -178.4 | 180 | -179.7 | 0 | 110.6 | Q1194 H1200 A1201 A1202 | Q1194-K1198 WeakPolarHBondContact O-CA 3.21Å; Q1194-K1198 WeakPolarHBondContact O-CB 2.86Å; Q1194-K1198 PolarHBondContact O-N 3.35Å; K1198-H1200 VanDerWaalsContact C-N 3.33Å; K1198-A1201 PolarHBondContact O-N 3.14Å; K1198-A1202 WeakPolarHBondContact O-CA 3.48Å; K1198-A1202 WeakPolarHBondContact O-CB 3.33Å; K1198-A1202 PolarHBondContact O-N 3.25Å | |
| 1199 | S | 73.3 | Confident | 73.1 | Confident | 67 Ų | 67 | 98.5 Ų | 98.5 | 47% | 0.469 | 51% | 0.51 | S | S | . | . | H | α-helix | 0 | -30.8 | 0 | 167.6 | 0 | 0 | 0 | 0 | 110.2 | E1195 M1196 R1197 A1202 T1203 | E1195-S1199 WeakPolarHBondContact O-CB 3.18Å; E1195-S1199 PolarHBondContact O-N 3.23Å; M1196-S1199 CarbonylContact O-C 3.31Å; M1196-S1199 PolarHBondContact O-N 3.39Å; R1197-S1199 VanDerWaalsContact C-N 3.27Å; S1199-A1202 CarbonylContact O-C 3.1Å; S1199-A1202 PolarHBondContact O-N 2.55Å; S1199-T1203 VanDerWaalsContact O-CB 3.3Å; S1199-T1203 WeakPolarHBondContact O-CB 3.49Å; S1199-T1203 PolarHBondContact O-N 3.05Å; S1199-T1203 PolarHBondContact O-OG1 3.17Å | |
| 1200 | H | 72.7 | Confident | 73 | Confident | 99 Ų | 99 | 97.4 Ų | 97.4 | 46% | 0.458 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -79.6 | -31.4 | 177.4 | -81.8 | -59.4 | 0 | 0 | 0 | 110.2 | M1196 R1197 K1198 A1202 T1203 L1204 | M1196-H1200 VanDerWaalsContact O-CA 3.32Å; M1196-H1200 WeakPolarHBondContact O-CA 3.25Å; M1196-H1200 WeakPolarHBondContact O-CB 2.98Å; M1196-H1200 PolarHBondContact O-CD2 3.18Å; M1196-H1200 PolarHBondContact O-N 3.34Å; R1197-H1200 CarbonylContact O-C 3.37Å; R1197-H1200 PolarHBondContact O-N 3.48Å; K1198-H1200 VanDerWaalsContact C-N 3.33Å; H1200-A1202 VanDerWaalsContact C-N 3.29Å; H1200-T1203 WeakPolarHBondContact CA-OG1 3.46Å; H1200-T1203 PolarHBondContact N-OG1 3.5Å; H1200-T1203 CarbonylContact O-C 3.33Å; H1200-T1203 PolarHBondContact O-N 3.33Å; H1200-T1203 PolarHBondContact O-OG1 3.37Å; H1200-L1204 WeakPolarHBondContact O-CA 3.14Å; H1200-L1204 WeakPolarHBondContact O-CB 3.48Å; H1200-L1204 WeakPolarHBondContact O-CG 2.8Å; H1200-L1204 PolarHBondContact O-N 3.06Å |
| 1201 | A | 73.1 | Confident | 72.8 | Confident | 50 Ų | 50 | 95.8 Ų | 95.8 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.2 | 0 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | R1197 K1198 T1203 L1204 E1205 | R1197-A1201 WeakPolarHBondContact O-CA 3.14Å; R1197-A1201 WeakPolarHBondContact O-CB 3.3Å; R1197-A1201 PolarHBondContact O-N 2.99Å; K1198-A1201 PolarHBondContact O-N 3.14Å; A1201-T1203 VanDerWaalsContact C-N 3.31Å; A1201-L1204 CarbonylContact O-C 3.01Å; A1201-L1204 PolarHBondContact O-N 3.3Å; A1201-E1205 WeakPolarHBondContact O-CA 3.35Å; A1201-E1205 WeakPolarHBondContact O-CB 3.34Å; A1201-E1205 PolarHBondContact O-N 2.89Å |
| 1202 | A | 76.5 | Confident | 72.7 | Confident | 50 Ų | 50 | 99.3 Ų | 99.3 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | 0 | -31.2 | 0 | 0 | 0 | 0 | 0 | 0 | 110.2 | K1198 S1199 H1200 E1205 T1206 | K1198-A1202 WeakPolarHBondContact O-CA 3.48Å; K1198-A1202 WeakPolarHBondContact O-CB 3.33Å; K1198-A1202 PolarHBondContact O-N 3.25Å; S1199-A1202 CarbonylContact O-C 3.1Å; S1199-A1202 PolarHBondContact O-N 2.55Å; H1200-A1202 VanDerWaalsContact C-N 3.29Å; A1202-E1205 PolarHBondContact O-N 2.65Å; A1202-T1206 VanDerWaalsContact O-CB 3.25Å; A1202-T1206 WeakPolarHBondContact O-CB 2.78Å; A1202-T1206 VanDerWaalsContact O-CG2 3.26Å; A1202-T1206 WeakPolarHBondContact O-CG2 3.1Å; A1202-T1206 PolarHBondContact O-N 3.38Å; A1202-T1206 PolarHBondContact O-OG1 2.99Å | |
| 1203 | T | 71.3 | Confident | 72.5 | Confident | 58 Ų | 58 | 102.6 Ų | 102.6 | 36% | 0.356 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -79.1 | 0 | 176.4 | 26.7 | 0 | 0 | 0 | 0 | 109.9 | S1199 H1200 A1201 T1206 L1207 | S1199-T1203 VanDerWaalsContact O-CB 3.3Å; S1199-T1203 WeakPolarHBondContact O-CB 3.49Å; S1199-T1203 PolarHBondContact O-N 3.05Å; S1199-T1203 PolarHBondContact O-OG1 3.17Å; H1200-T1203 WeakPolarHBondContact CA-OG1 3.46Å; H1200-T1203 PolarHBondContact N-OG1 3.5Å; H1200-T1203 CarbonylContact O-C 3.33Å; H1200-T1203 PolarHBondContact O-N 3.33Å; H1200-T1203 PolarHBondContact O-OG1 3.37Å; A1201-T1203 VanDerWaalsContact C-N 3.31Å; T1203-T1206 WeakPolarHBondContact CA-OG1 2.81Å; T1203-T1206 CarbonylContact O-C 3.54Å; T1203-T1206 PolarHBondContact O-N 2.46Å; T1203-T1206 PolarHBondContact O-OG1 3.31Å; T1203-L1207 WeakPolarHBondContact O-CA 3.17Å; T1203-L1207 WeakPolarHBondContact O-CB 3.41Å; T1203-L1207 WeakPolarHBondContact O-CD1 3.46Å; T1203-L1207 WeakPolarHBondContact O-CG 3.4Å; T1203-L1207 PolarHBondContact O-N 3.29Å |
| 1204 | L | 70.9 | Confident | 72.1 | Confident | 116 Ų | 116 | 104 Ų | 104 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -95 | 164.4 | 0 | 0 | 0 | 109.8 | H1200 A1201 T1206 L1207 N1208 | H1200-L1204 WeakPolarHBondContact O-CA 3.14Å; H1200-L1204 WeakPolarHBondContact O-CB 3.48Å; H1200-L1204 WeakPolarHBondContact O-CG 2.8Å; H1200-L1204 PolarHBondContact O-N 3.06Å; A1201-L1204 CarbonylContact O-C 3.01Å; A1201-L1204 PolarHBondContact O-N 3.3Å; L1204-T1206 VanDerWaalsContact C-N 3.31Å; L1204-L1207 CarbonylContact O-C 3.26Å; L1204-L1207 PolarHBondContact O-N 2.34Å; L1204-L1207 VanDerWaalsContact O-N 3.16Å; L1204-N1208 WeakPolarHBondContact O-CA 3.23Å; L1204-N1208 WeakPolarHBondContact O-CB 3.37Å; L1204-N1208 PolarHBondContact O-N 2.29Å | |
| 1205 | E | 76.6 | Confident | 71.9 | Confident | 129 Ų | 129 | 104.3 Ų | 104.3 | 60% | 0.603 | 53% | 0.526 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -147.9 | 170.2 | -174.9 | 0 | 0 | 110.9 | A1201 A1202 N1208 D1209 | A1201-E1205 WeakPolarHBondContact O-CA 3.35Å; A1201-E1205 WeakPolarHBondContact O-CB 3.34Å; A1201-E1205 PolarHBondContact O-N 2.89Å; A1202-E1205 PolarHBondContact O-N 2.65Å; E1205-N1208 CarbonylContact O-C 3.09Å; E1205-N1208 PolarHBondContact O-N 3.43Å; E1205-D1209 WeakPolarHBondContact O-CA 3.49Å; E1205-D1209 WeakPolarHBondContact O-CB 3.48Å; E1205-D1209 PolarHBondContact O-N 3.4Å | |
| 1206 | T | 73.2 | Confident | 71.8 | Confident | 69 Ų | 69 | 105.4 Ų | 105.4 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | H | α-helix | 0 | -28.4 | 0 | 37.5 | 0 | 0 | 0 | 0 | 110.1 | A1202 T1203 L1204 D1209 Q1210 | A1202-T1206 VanDerWaalsContact O-CB 3.25Å; A1202-T1206 WeakPolarHBondContact O-CB 2.78Å; A1202-T1206 VanDerWaalsContact O-CG2 3.26Å; A1202-T1206 WeakPolarHBondContact O-CG2 3.1Å; A1202-T1206 PolarHBondContact O-N 3.38Å; A1202-T1206 PolarHBondContact O-OG1 2.99Å; T1203-T1206 WeakPolarHBondContact CA-OG1 2.81Å; T1203-T1206 CarbonylContact O-C 3.54Å; T1203-T1206 PolarHBondContact O-N 2.46Å; T1203-T1206 PolarHBondContact O-OG1 3.31Å; L1204-T1206 VanDerWaalsContact C-N 3.31Å; T1206-D1209 CarbonylContact O-C 3.2Å; T1206-D1209 PolarHBondContact O-N 3.26Å; T1206-Q1210 WeakPolarHBondContact O-CA 3.41Å; T1206-Q1210 WeakPolarHBondContact O-CB 3.1Å; T1206-Q1210 WeakPolarHBondContact O-CG 3.46Å; T1206-Q1210 PolarHBondContact O-N 2.2Å | |
| 1207 | L | 68.3 | Low | 71.7 | Confident | 87 Ų | 87 | 101.8 Ų | 101.8 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -81.7 | -31.1 | 177.4 | -93.5 | 156.5 | 0 | 0 | 0 | 109.7 | T1203 L1204 D1209 Q1210 I1211 | T1203-L1207 WeakPolarHBondContact O-CA 3.17Å; T1203-L1207 WeakPolarHBondContact O-CB 3.41Å; T1203-L1207 WeakPolarHBondContact O-CD1 3.46Å; T1203-L1207 WeakPolarHBondContact O-CG 3.4Å; T1203-L1207 PolarHBondContact O-N 3.29Å; L1204-L1207 CarbonylContact O-C 3.26Å; L1204-L1207 PolarHBondContact O-N 2.34Å; L1204-L1207 VanDerWaalsContact O-N 3.16Å; L1207-D1209 VanDerWaalsContact C-N 3.32Å; L1207-Q1210 CarbonylContact O-C 2.94Å; L1207-Q1210 VanDerWaalsContact O-C 3.24Å; L1207-Q1210 WeakPolarHBondContact O-CA 3.38Å; L1207-Q1210 WeakPolarHBondContact O-CB 3.36Å; L1207-Q1210 PolarHBondContact O-N 3.37Å; L1207-I1211 VanDerWaalsContact O-CA 3.27Å; L1207-I1211 WeakPolarHBondContact O-CA 2.93Å; L1207-I1211 WeakPolarHBondContact O-CB 3.04Å; L1207-I1211 WeakPolarHBondContact O-CG1 3.43Å; L1207-I1211 PolarHBondContact O-N 2.82Å |
| 1208 | N | 72.7 | Confident | 71.4 | Confident | 99 Ų | 99 | 99.4 Ų | 99.4 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.9 | 0 | 174.6 | -132.3 | 8.9 | 0 | 0 | 0 | 110.8 | L1204 E1205 I1211 E1212 | L1204-N1208 WeakPolarHBondContact O-CA 3.23Å; L1204-N1208 WeakPolarHBondContact O-CB 3.37Å; L1204-N1208 PolarHBondContact O-N 2.29Å; E1205-N1208 CarbonylContact O-C 3.09Å; E1205-N1208 PolarHBondContact O-N 3.43Å; N1208-I1211 CarbonylContact O-C 2.91Å; N1208-I1211 PolarHBondContact O-N 2.87Å; N1208-I1211 VanDerWaalsContact O-N 3.13Å; N1208-E1212 WeakPolarHBondContact O-CA 3.16Å; N1208-E1212 WeakPolarHBondContact O-CB 3.29Å; N1208-E1212 PolarHBondContact O-N 3.41Å |
| 1209 | D | 74 | Confident | 71.1 | Confident | 84 Ų | 84 | 94.8 Ų | 94.8 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -83.2 | -12.7 | 0 | 0 | 0 | 110.4 | E1205 T1206 L1207 I1211 Q1213 | E1205-D1209 WeakPolarHBondContact O-CA 3.49Å; E1205-D1209 WeakPolarHBondContact O-CB 3.48Å; E1205-D1209 PolarHBondContact O-N 3.4Å; T1206-D1209 CarbonylContact O-C 3.2Å; T1206-D1209 PolarHBondContact O-N 3.26Å; L1207-D1209 VanDerWaalsContact C-N 3.32Å; D1209-I1211 VanDerWaalsContact C-N 3.3Å; D1209-Q1213 VanDerWaalsContact O-CA 3.3Å; D1209-Q1213 WeakPolarHBondContact O-CA 3.39Å; D1209-Q1213 WeakPolarHBondContact O-CB 3.41Å; D1209-Q1213 PolarHBondContact O-N 2.34Å | |
| 1210 | Q | 68.5 | Low | 71 | Confident | 106 Ų | 106 | 95 Ų | 95 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -79.5 | -179.5 | -4.9 | 0 | 0 | 110 | T1206 L1207 Q1213 L1214 | T1206-Q1210 WeakPolarHBondContact O-CA 3.41Å; T1206-Q1210 WeakPolarHBondContact O-CB 3.1Å; T1206-Q1210 WeakPolarHBondContact O-CG 3.46Å; T1206-Q1210 PolarHBondContact O-N 2.2Å; L1207-Q1210 CarbonylContact O-C 2.94Å; L1207-Q1210 VanDerWaalsContact O-C 3.24Å; L1207-Q1210 WeakPolarHBondContact O-CA 3.38Å; L1207-Q1210 WeakPolarHBondContact O-CB 3.36Å; L1207-Q1210 PolarHBondContact O-N 3.37Å; Q1210-Q1213 CarbonylContact O-C 3.15Å; Q1210-L1214 VanDerWaalsContact O-CA 3.3Å; Q1210-L1214 WeakPolarHBondContact O-CA 3.48Å; Q1210-L1214 WeakPolarHBondContact O-CB 3.4Å; Q1210-L1214 VanDerWaalsContact O-CD1 3.3Å; Q1210-L1214 WeakPolarHBondContact O-CD1 2.85Å; Q1210-L1214 WeakPolarHBondContact O-CG 2.58Å; Q1210-L1214 PolarHBondContact O-N 2.14Å | |
| 1211 | I | 69.6 | Low | 70.4 | Confident | 74 Ų | 74 | 95.6 Ų | 95.6 | 38% | 0.379 | 50% | 0.502 | S | S | . | . | H | α-helix | 0 | -37.5 | 0 | -73.5 | 176.6 | 0 | 0 | 0 | 108.5 | L1207 N1208 D1209 Q1213 L1214 K1215 | L1207-I1211 VanDerWaalsContact O-CA 3.27Å; L1207-I1211 WeakPolarHBondContact O-CA 2.93Å; L1207-I1211 WeakPolarHBondContact O-CB 3.04Å; L1207-I1211 WeakPolarHBondContact O-CG1 3.43Å; L1207-I1211 PolarHBondContact O-N 2.82Å; N1208-I1211 CarbonylContact O-C 2.91Å; N1208-I1211 PolarHBondContact O-N 2.87Å; N1208-I1211 VanDerWaalsContact O-N 3.13Å; D1209-I1211 VanDerWaalsContact C-N 3.3Å; I1211-Q1213 VanDerWaalsContact C-N 3.31Å; I1211-L1214 CarbonylContact O-C 3.51Å; I1211-L1214 VanDerWaalsContact O-C 3.29Å; I1211-L1214 WeakPolarHBondContact O-CA 2.86Å; I1211-L1214 WeakPolarHBondContact O-CB 3.2Å; I1211-L1214 PolarHBondContact O-N 2.93Å; I1211-K1215 HydrophobicContact CG2-CG 4.45Å; I1211-K1215 WeakPolarHBondContact O-CA 2.77Å; I1211-K1215 WeakPolarHBondContact O-CB 2.68Å; I1211-K1215 WeakPolarHBondContact O-CG 3.35Å; I1211-K1215 PolarHBondContact O-N 3.36Å | |
| 1212 | E | 73.4 | Confident | 69.9 | Low | 122 Ų | 122 | 97.2 Ų | 97.2 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -71 | 0 | 174.2 | -118.6 | -174.7 | 177.8 | 0 | 0 | 111.5 | N1208 K1215 K1216 | N1208-E1212 WeakPolarHBondContact O-CA 3.16Å; N1208-E1212 WeakPolarHBondContact O-CB 3.29Å; N1208-E1212 PolarHBondContact O-N 3.41Å; E1212-K1215 CarbonylContact O-C 3.26Å; E1212-K1215 PolarHBondContact O-N 3.33Å; E1212-K1216 VanDerWaalsContact O-CB 3.28Å; E1212-K1216 WeakPolarHBondContact O-CB 3.21Å; E1212-K1216 PolarHBondContact O-N 3.37Å |
| 1213 | Q | 70.8 | Confident | 69.6 | Low | 137 Ų | 137 | 100.8 Ų | 100.8 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -121 | 177.7 | -1.5 | 0 | 0 | 110.5 | D1209 Q1210 I1211 S1217 | D1209-Q1213 VanDerWaalsContact O-CA 3.3Å; D1209-Q1213 WeakPolarHBondContact O-CA 3.39Å; D1209-Q1213 WeakPolarHBondContact O-CB 3.41Å; D1209-Q1213 PolarHBondContact O-N 2.34Å; Q1210-Q1213 CarbonylContact O-C 3.15Å; I1211-Q1213 VanDerWaalsContact C-N 3.31Å; Q1213-S1217 VanDerWaalsContact O-CA 3.24Å; Q1213-S1217 WeakPolarHBondContact O-CA 3.28Å; Q1213-S1217 WeakPolarHBondContact O-CB 3.32Å; Q1213-S1217 PolarHBondContact O-N 3.43Å; Q1213-S1217 PolarHBondContact O-OG 3.04Å | |
| 1214 | L | 65.3 | Low | 69.2 | Low | 108 Ų | 108 | 100.8 Ų | 100.8 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -84.4 | 167.1 | 0 | 0 | 0 | 109.9 | Q1210 I1211 S1217 K1218 | Q1210-L1214 VanDerWaalsContact O-CA 3.3Å; Q1210-L1214 WeakPolarHBondContact O-CA 3.48Å; Q1210-L1214 WeakPolarHBondContact O-CB 3.4Å; Q1210-L1214 VanDerWaalsContact O-CD1 3.3Å; Q1210-L1214 WeakPolarHBondContact O-CD1 2.85Å; Q1210-L1214 WeakPolarHBondContact O-CG 2.58Å; Q1210-L1214 PolarHBondContact O-N 2.14Å; I1211-L1214 CarbonylContact O-C 3.51Å; I1211-L1214 VanDerWaalsContact O-C 3.29Å; I1211-L1214 WeakPolarHBondContact O-CA 2.86Å; I1211-L1214 WeakPolarHBondContact O-CB 3.2Å; I1211-L1214 PolarHBondContact O-N 2.93Å; L1214-S1217 VanDerWaalsContact C-OG 3.26Å; L1214-S1217 WeakPolarHBondContact CA-OG 2.63Å; L1214-S1217 CarbonylContact O-C 3.25Å; L1214-S1217 PolarHBondContact O-N 3.19Å; L1214-S1217 PolarHBondContact O-OG 3.24Å; L1214-K1218 WeakPolarHBondContact O-CA 2.36Å; L1214-K1218 WeakPolarHBondContact O-CB 2.63Å; L1214-K1218 PolarHBondContact O-N 2.93Å | |
| 1215 | K | 68.9 | Low | 68.8 | Low | 138 Ų | 138 | 98.4 Ų | 98.4 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | 0 | -32.1 | 0 | -93.4 | -175.9 | 179.4 | 179.9 | 0 | 110.2 | I1211 E1212 S1217 K1218 V1219 | I1211-K1215 HydrophobicContact CG2-CG 4.45Å; I1211-K1215 WeakPolarHBondContact O-CA 2.77Å; I1211-K1215 WeakPolarHBondContact O-CB 2.68Å; I1211-K1215 WeakPolarHBondContact O-CG 3.35Å; I1211-K1215 PolarHBondContact O-N 3.36Å; E1212-K1215 CarbonylContact O-C 3.26Å; E1212-K1215 PolarHBondContact O-N 3.33Å; K1215-S1217 VanDerWaalsContact C-N 3.33Å; K1215-K1218 CarbonylContact O-C 3.58Å; K1215-K1218 WeakPolarHBondContact O-CB 3.18Å; K1215-K1218 PolarHBondContact O-N 3.4Å; K1215-V1219 VanDerWaalsContact O-CG2 3.25Å; K1215-V1219 WeakPolarHBondContact O-CG2 3.31Å; K1215-V1219 PolarHBondContact O-N 2.77Å | |
| 1216 | K | 72.2 | Confident | 68.5 | Low | 163 Ų | 163 | 94.2 Ų | 94.2 | 71% | 0.709 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -77.3 | 0 | 174.3 | -95 | -177.9 | -178.8 | 179.3 | 0 | 110.9 | E1212 V1219 S1220 | E1212-K1216 VanDerWaalsContact O-CB 3.28Å; E1212-K1216 WeakPolarHBondContact O-CB 3.21Å; E1212-K1216 PolarHBondContact O-N 3.37Å; K1216-V1219 PolarHBondContact O-N 3.16Å; K1216-S1220 WeakPolarHBondContact O-CA 2.48Å; K1216-S1220 WeakPolarHBondContact O-CB 2.76Å; K1216-S1220 PolarHBondContact O-N 2.59Å; K1216-S1220 PolarHBondContact O-OG 3.25Å |
| 1217 | S | 66.7 | Low | 68.4 | Low | 36 Ų | 36 | 96.7 Ų | 96.7 | 25% | 0.252 | 48% | 0.48 | S | S | . | . | H | α-helix | 0 | -18.9 | 0 | 78.1 | 0 | 0 | 0 | 0 | 110.4 | Q1213 L1214 K1215 S1220 L1221 | Q1213-S1217 VanDerWaalsContact O-CA 3.24Å; Q1213-S1217 WeakPolarHBondContact O-CA 3.28Å; Q1213-S1217 WeakPolarHBondContact O-CB 3.32Å; Q1213-S1217 PolarHBondContact O-N 3.43Å; Q1213-S1217 PolarHBondContact O-OG 3.04Å; L1214-S1217 VanDerWaalsContact C-OG 3.26Å; L1214-S1217 WeakPolarHBondContact CA-OG 2.63Å; L1214-S1217 CarbonylContact O-C 3.25Å; L1214-S1217 PolarHBondContact O-N 3.19Å; L1214-S1217 PolarHBondContact O-OG 3.24Å; K1215-S1217 VanDerWaalsContact C-N 3.33Å; S1217-S1220 WeakPolarHBondContact CA-OG 2.24Å; S1217-S1220 CarbonylContact O-C 3.31Å; S1217-S1220 PolarHBondContact O-OG 3.09Å; S1217-S1220 VanDerWaalsContact O-OG 3.08Å; S1217-L1221 WeakPolarHBondContact O-CA 2.63Å; S1217-L1221 WeakPolarHBondContact O-CB 3.36Å; S1217-L1221 WeakPolarHBondContact O-CD1 3.05Å; S1217-L1221 WeakPolarHBondContact O-CG 3.27Å; S1217-L1221 PolarHBondContact O-N 3.48Å | |
| 1218 | K | 65.8 | Low | 67.9 | Low | 126 Ų | 126 | 97.1 Ų | 97.1 | 55% | 0.548 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -80 | -37.9 | 174.5 | -173.7 | -177.3 | 173.6 | -178.2 | 0 | 110 | L1214 K1215 S1220 L1221 E1222 | L1214-K1218 WeakPolarHBondContact O-CA 2.36Å; L1214-K1218 WeakPolarHBondContact O-CB 2.63Å; L1214-K1218 PolarHBondContact O-N 2.93Å; K1215-K1218 CarbonylContact O-C 3.58Å; K1215-K1218 WeakPolarHBondContact O-CB 3.18Å; K1215-K1218 PolarHBondContact O-N 3.4Å; K1218-S1220 VanDerWaalsContact C-N 3.34Å; K1218-L1221 CarbonylContact O-C 2.75Å; K1218-L1221 PolarHBondContact O-N 2.73Å; K1218-E1222 WeakPolarHBondContact O-CA 2.57Å; K1218-E1222 VanDerWaalsContact O-CB 3.25Å; K1218-E1222 WeakPolarHBondContact O-CB 2.64Å; K1218-E1222 WeakPolarHBondContact O-CG 2.72Å; K1218-E1222 PolarHBondContact O-N 2.8Å |
| 1219 | V | 70.6 | Confident | 67.6 | Low | 73 Ų | 73 | 94 Ų | 94 | 44% | 0.442 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -75.6 | 0 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 109.3 | K1215 K1216 L1221 E1222 R1223 | K1215-V1219 VanDerWaalsContact O-CG2 3.25Å; K1215-V1219 WeakPolarHBondContact O-CG2 3.31Å; K1215-V1219 PolarHBondContact O-N 2.77Å; K1216-V1219 PolarHBondContact O-N 3.16Å; V1219-L1221 VanDerWaalsContact C-N 3.29Å; V1219-E1222 CarbonylContact O-C 3.55Å; V1219-E1222 PolarHBondContact O-N 3.26Å; V1219-E1222 VanDerWaalsContact O-N 3.16Å; V1219-R1223 PolarHBondContact O-N 2.82Å |
| 1220 | S | 70.4 | Confident | 67.5 | Low | 70 Ų | 70 | 93.5 Ų | 93.5 | 49% | 0.49 | 47% | 0.466 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 87.7 | 0 | 0 | 0 | 0 | 110.5 | K1216 S1217 K1218 E1222 S1224 | K1216-S1220 WeakPolarHBondContact O-CA 2.48Å; K1216-S1220 WeakPolarHBondContact O-CB 2.76Å; K1216-S1220 PolarHBondContact O-N 2.59Å; K1216-S1220 PolarHBondContact O-OG 3.25Å; S1217-S1220 WeakPolarHBondContact CA-OG 2.24Å; S1217-S1220 CarbonylContact O-C 3.31Å; S1217-S1220 PolarHBondContact O-OG 3.09Å; S1217-S1220 VanDerWaalsContact O-OG 3.08Å; K1218-S1220 VanDerWaalsContact C-N 3.34Å; S1220-E1222 VanDerWaalsContact C-N 3.33Å; S1220-S1224 WeakPolarHBondContact O-CA 3.28Å; S1220-S1224 WeakPolarHBondContact O-CB 2.7Å; S1220-S1224 PolarHBondContact O-N 2.97Å | |
| 1221 | L | 59.6 | Low | 67.5 | Low | 113 Ų | 113 | 91.2 Ų | 91.2 | 59% | 0.592 | 46% | 0.46 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -102.4 | 146.3 | 0 | 0 | 0 | 109.8 | S1217 K1218 V1219 S1224 K1225 | S1217-L1221 WeakPolarHBondContact O-CA 2.63Å; S1217-L1221 WeakPolarHBondContact O-CB 3.36Å; S1217-L1221 WeakPolarHBondContact O-CD1 3.05Å; S1217-L1221 WeakPolarHBondContact O-CG 3.27Å; S1217-L1221 PolarHBondContact O-N 3.48Å; K1218-L1221 CarbonylContact O-C 2.75Å; K1218-L1221 PolarHBondContact O-N 2.73Å; V1219-L1221 VanDerWaalsContact C-N 3.29Å; L1221-S1224 CarbonylContact O-C 3.24Å; L1221-S1224 PolarHBondContact O-N 3.48Å; L1221-K1225 VanDerWaalsContact O-CA 3.28Å; L1221-K1225 WeakPolarHBondContact O-CA 3.26Å; L1221-K1225 WeakPolarHBondContact O-CB 2.28Å; L1221-K1225 PolarHBondContact O-N 3.35Å | |
| 1222 | E | 62.6 | Low | 67 | Low | 84 Ų | 84 | 87.8 Ų | 87.8 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | H | α-helix | 0 | -27.7 | 0 | -95.5 | 178.8 | 175.2 | 0 | 0 | 110.4 | K1218 V1219 S1220 K1225 V1226 | K1218-E1222 WeakPolarHBondContact O-CA 2.57Å; K1218-E1222 VanDerWaalsContact O-CB 3.25Å; K1218-E1222 WeakPolarHBondContact O-CB 2.64Å; K1218-E1222 WeakPolarHBondContact O-CG 2.72Å; K1218-E1222 PolarHBondContact O-N 2.8Å; V1219-E1222 CarbonylContact O-C 3.55Å; V1219-E1222 PolarHBondContact O-N 3.26Å; V1219-E1222 VanDerWaalsContact O-N 3.16Å; S1220-E1222 VanDerWaalsContact C-N 3.33Å; E1222-K1225 WeakPolarHBondContact O-CB 2.7Å; E1222-K1225 PolarHBondContact O-N 3.08Å; E1222-V1226 WeakPolarHBondContact O-CG2 3.46Å; E1222-V1226 PolarHBondContact O-N 3.23Å; E1222-V1226 VanDerWaalsContact O-N 3.08Å | |
| 1223 | R | 69.9 | Low | 66.9 | Low | 124 Ų | 124 | 82.7 Ų | 82.7 | 47% | 0.468 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -81.4 | 0 | 173 | -88.1 | -176.7 | -166.9 | 171.1 | -2.2 | 110.8 | V1219 K1225 V1226 Q1227 G1966 S1967 | V1219-R1223 PolarHBondContact O-N 2.82Å; R1223-K1225 PolarHBondContact O-N 3.3Å; R1223-V1226 PolarHBondContact O-N 3.38Å; R1223-Q1227 WeakPolarHBondContact O-CB 3.43Å; R1223-Q1227 PolarHBondContact O-N 3.15Å; R1223-G1966 WeakPolarHBondContact CB-O 3.44Å; R1223-G1966 WeakPolarHBondContact CD-O 3.34Å; R1223-G1966 WeakPolarHBondContact CG-O 3.06Å; R1223-G1966 PolarHBondContact NE-O 3.2Å; R1223-S1967 WeakPolarHBondContact CG-O 3.43Å |
| 1224 | S | 63.4 | Low | 67.1 | Low | 59 Ų | 59 | 79 Ų | 79 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | H | α-helix | 0 | -16.7 | 0 | -155.4 | 0 | 0 | 0 | 0 | 110.4 | S1220 L1221 Q1228 | S1220-S1224 WeakPolarHBondContact O-CA 3.28Å; S1220-S1224 WeakPolarHBondContact O-CB 2.7Å; S1220-S1224 PolarHBondContact O-N 2.97Å; L1221-S1224 CarbonylContact O-C 3.24Å; L1221-S1224 PolarHBondContact O-N 3.48Å; S1224-Q1228 WeakPolarHBondContact O-CA 3.49Å; S1224-Q1228 WeakPolarHBondContact O-CB 3.39Å; S1224-Q1228 WeakPolarHBondContact O-CG 3.12Å; S1224-Q1228 PolarHBondContact O-N 2.82Å | |
| 1225 | K | 61.8 | Low | 66.8 | Low | 66 Ų | 66 | 74.9 Ų | 74.9 | 29% | 0.287 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -79.9 | -33.4 | 173.7 | -166.8 | -177.6 | 173.4 | -179 | 0 | 110.3 | L1221 E1222 R1223 Q1228 D1229 S1970 V1971 V1972 | L1221-K1225 VanDerWaalsContact O-CA 3.28Å; L1221-K1225 WeakPolarHBondContact O-CA 3.26Å; L1221-K1225 WeakPolarHBondContact O-CB 2.28Å; L1221-K1225 PolarHBondContact O-N 3.35Å; E1222-K1225 WeakPolarHBondContact O-CB 2.7Å; E1222-K1225 PolarHBondContact O-N 3.08Å; R1223-K1225 PolarHBondContact O-N 3.3Å; K1225-Q1228 CarbonylContact O-C 3.45Å; K1225-Q1228 PolarHBondContact O-N 3.42Å; K1225-D1229 WeakPolarHBondContact O-CA 1.73Å; K1225-D1229 WeakPolarHBondContact O-CB 2.86Å; K1225-D1229 PolarHBondContact O-N 3.24Å; K1225-S1970 VanDerWaalsContact CG-C 3.48Å; K1225-V1971 HydrophobicContact CD-CB 4.1Å; K1225-V1971 HydrophobicContact CD-CG2 4.23Å; K1225-V1971 CovalentContact CE-CA 1.66Å; K1225-V1971 CovalentContact CE-N 1.76Å; K1225-V1972 VanDerWaalsContact CE-N 3.27Å |
| 1226 | V | 71.8 | Confident | 66.6 | Low | 41 Ų | 41 | 72.1 Ų | 72.1 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -81 | -29.7 | 177.5 | 171.1 | 0 | 0 | 0 | 0 | 109.6 | E1222 R1223 D1229 S1230 S1968 G1969 | E1222-V1226 WeakPolarHBondContact O-CG2 3.46Å; E1222-V1226 PolarHBondContact O-N 3.23Å; E1222-V1226 VanDerWaalsContact O-N 3.08Å; R1223-V1226 PolarHBondContact O-N 3.38Å; V1226-D1229 PolarHBondContact O-N 3.15Å; V1226-S1230 PolarHBondContact O-N 3.41Å; V1226-S1968 WeakPolarHBondContact CB-O 3.39Å; V1226-S1968 WeakPolarHBondContact CG1-O 3.48Å; V1226-S1968 CovalentContact CG2-O 1.51Å; V1226-S1968 WeakPolarHBondContact CG2-O 3.45Å; V1226-G1969 WeakPolarHBondContact CG2-O 3.4Å |
| 1227 | Q | 69.6 | Low | 66.7 | Low | 121 Ų | 121 | 71 Ų | 71 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -79.8 | 0 | 172.6 | -149.6 | 152.8 | 4.5 | 0 | 0 | 110.8 | R1223 D1229 S1230 T1231 | R1223-Q1227 WeakPolarHBondContact O-CB 3.43Å; R1223-Q1227 PolarHBondContact O-N 3.15Å; Q1227-D1229 VanDerWaalsContact C-N 3.29Å; Q1227-S1230 PolarHBondContact O-N 2.75Å; Q1227-S1230 PolarHBondContact O-OG 3.3Å; Q1227-S1230 VanDerWaalsContact O-OG 3.04Å; Q1227-T1231 WeakPolarHBondContact O-CB 1.3Å; Q1227-T1231 WeakPolarHBondContact O-CG2 1.35Å; Q1227-T1231 PolarHBondContact O-N 2.87Å; Q1227-T1231 PolarHBondContact O-OG1 3.4Å |
| 1228 | Q | 57.6 | Low | 66.8 | Low | 95 Ų | 95 | 74.6 Ų | 74.6 | 44% | 0.444 | 39% | 0.388 | S | S | . | . | H | α-helix | 0 | -19 | 0 | -84.7 | -119.1 | -29.8 | 0 | 0 | 109.9 | S1224 K1225 T1231 T1232 | S1224-Q1228 WeakPolarHBondContact O-CA 3.49Å; S1224-Q1228 WeakPolarHBondContact O-CB 3.39Å; S1224-Q1228 WeakPolarHBondContact O-CG 3.12Å; S1224-Q1228 PolarHBondContact O-N 2.82Å; K1225-Q1228 CarbonylContact O-C 3.45Å; K1225-Q1228 PolarHBondContact O-N 3.42Å; Q1228-T1231 VanDerWaalsContact C-OG1 3.28Å; Q1228-T1231 WeakPolarHBondContact CA-OG1 2.6Å; Q1228-T1231 CarbonylContact O-C 3.45Å; Q1228-T1231 PolarHBondContact O-OG1 3.38Å; Q1228-T1232 WeakPolarHBondContact O-CA 1.77Å; Q1228-T1232 WeakPolarHBondContact O-CB 1.9Å; Q1228-T1232 PolarHBondContact O-N 2.59Å; Q1228-T1232 CovalentContact O-OG1 1.41Å; Q1228-T1232 PolarHBondContact O-OG1 3.23Å | |
| 1229 | D | 66.8 | Low | 66.4 | Low | 35 Ų | 35 | 69.1 Ų | 69.1 | 19% | 0.187 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -82.1 | -31.2 | 175 | -83.5 | -15.9 | 0 | 0 | 0 | 110.2 | K1225 V1226 Q1227 T1232 D1233 V1971 V1972 | K1225-D1229 WeakPolarHBondContact O-CA 1.73Å; K1225-D1229 WeakPolarHBondContact O-CB 2.86Å; K1225-D1229 PolarHBondContact O-N 3.24Å; V1226-D1229 PolarHBondContact O-N 3.15Å; Q1227-D1229 VanDerWaalsContact C-N 3.29Å; D1229-T1232 WeakPolarHBondContact CA-OG1 3.11Å; D1229-T1232 PolarHBondContact N-OG1 3.49Å; D1229-T1232 VanDerWaalsContact N-OG1 3.16Å; D1229-T1232 CarbonylContact O-C 3.52Å; D1229-T1232 WeakPolarHBondContact O-CB 2.71Å; D1229-T1232 PolarHBondContact O-N 2.9Å; D1229-D1233 PolarHBondContact O-N 3.41Å; D1229-V1971 WeakPolarHBondContact CB-O 3.41Å; D1229-V1971 WeakPolarHBondContact OD2-CA 3.23Å; D1229-V1971 PolarHBondContact OD2-N 2.87Å; D1229-V1971 CovalentContact OD2-O 1.57Å; D1229-V1972 VanDerWaalsContact CG-O 3.25Å; D1229-V1972 WeakPolarHBondContact OD1-CA 3.36Å; D1229-V1972 PolarHBondContact OD1-N 3.48Å |
| 1230 | S | 73 | Confident | 66.4 | Low | 72 Ų | 72 | 71.6 Ų | 71.6 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -78.6 | 0 | 173.6 | 76.4 | 0 | 0 | 0 | 0 | 111.1 | V1226 Q1227 D1233 A1234 | V1226-S1230 PolarHBondContact O-N 3.41Å; Q1227-S1230 PolarHBondContact O-N 2.75Å; Q1227-S1230 PolarHBondContact O-OG 3.3Å; Q1227-S1230 VanDerWaalsContact O-OG 3.04Å; S1230-D1233 PolarHBondContact O-N 2.91Å; S1230-A1234 PolarHBondContact O-N 3.12Å |
| 1231 | T | 68.2 | Low | 66.4 | Low | 58 Ų | 58 | 71.2 Ų | 71.2 | 36% | 0.356 | 37% | 0.369 | S | S | . | . | H | α-helix | 0 | -20.7 | 0 | 49.5 | 0 | 0 | 0 | 0 | 110 | Q1227 Q1228 A1234 L1235 | Q1227-T1231 WeakPolarHBondContact O-CB 1.3Å; Q1227-T1231 WeakPolarHBondContact O-CG2 1.35Å; Q1227-T1231 PolarHBondContact O-N 2.87Å; Q1227-T1231 PolarHBondContact O-OG1 3.4Å; Q1228-T1231 VanDerWaalsContact C-OG1 3.28Å; Q1228-T1231 WeakPolarHBondContact CA-OG1 2.6Å; Q1228-T1231 CarbonylContact O-C 3.45Å; Q1228-T1231 PolarHBondContact O-OG1 3.38Å; T1231-A1234 CarbonylContact O-C 3.37Å; T1231-L1235 WeakPolarHBondContact O-CA 2.19Å; T1231-L1235 WeakPolarHBondContact O-CB 2.33Å; T1231-L1235 VanDerWaalsContact O-CD1 3.24Å; T1231-L1235 WeakPolarHBondContact O-CD1 2.06Å; T1231-L1235 WeakPolarHBondContact O-CG 3.46Å; T1231-L1235 PolarHBondContact O-N 2.59Å | |
| 1232 | T | 58.9 | Low | 66.5 | Low | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -78.8 | -28.9 | 173.9 | -28.8 | 0 | 0 | 0 | 0 | 109.7 | Q1228 D1229 L1235 Q1236 V1972 T1973 N1974 S1981 T1982 | Q1228-T1232 WeakPolarHBondContact O-CA 1.77Å; Q1228-T1232 WeakPolarHBondContact O-CB 1.9Å; Q1228-T1232 PolarHBondContact O-N 2.59Å; Q1228-T1232 CovalentContact O-OG1 1.41Å; Q1228-T1232 PolarHBondContact O-OG1 3.23Å; D1229-T1232 WeakPolarHBondContact CA-OG1 3.11Å; D1229-T1232 PolarHBondContact N-OG1 3.49Å; D1229-T1232 VanDerWaalsContact N-OG1 3.16Å; D1229-T1232 CarbonylContact O-C 3.52Å; D1229-T1232 WeakPolarHBondContact O-CB 2.71Å; D1229-T1232 PolarHBondContact O-N 2.9Å; T1232-L1235 CarbonylContact O-C 2.89Å; T1232-L1235 PolarHBondContact O-N 3.06Å; T1232-Q1236 VanDerWaalsContact O-CA 3.22Å; T1232-Q1236 WeakPolarHBondContact O-CA 2.39Å; T1232-Q1236 WeakPolarHBondContact O-CB 1.79Å; T1232-Q1236 PolarHBondContact O-N 3.42Å; T1232-V1972 PolarHBondContact OG1-O 3.42Å; T1232-T1973 WeakPolarHBondContact CB-O 2.03Å; T1232-T1973 WeakPolarHBondContact CG2-O 3.39Å; T1232-T1973 WeakPolarHBondContact CG2-OG1 3.41Å; T1232-T1973 PolarHBondContact OG1-O 3.3Å; T1232-N1974 HydrophobicContact CG2-CB 2.47Å; T1232-N1974 WeakPolarHBondContact CG2-ND2 3.32Å; T1232-S1981 CarbonylContact O-C 3.47Å; T1232-T1982 PolarHBondContact O-N 2.81Å |
| 1233 | D | 71.8 | Confident | 66.4 | Low | 15 Ų | 15 | 67.6 Ų | 67.6 | 8% | 0.08 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -79 | -38.1 | 173.2 | -106.3 | 3 | 0 | 0 | 0 | 110.7 | D1229 S1230 L1235 Q1236 K1237 S1981 T1982 P1983 | D1229-D1233 PolarHBondContact O-N 3.41Å; S1230-D1233 PolarHBondContact O-N 2.91Å; D1233-L1235 VanDerWaalsContact C-N 3.34Å; D1233-Q1236 CarbonylContact O-C 3.22Å; D1233-Q1236 VanDerWaalsContact O-CB 3.28Å; D1233-Q1236 WeakPolarHBondContact O-CB 2.23Å; D1233-Q1236 PolarHBondContact O-N 3.08Å; D1233-Q1236 PolarHBondContact OD1-OE1 3.22Å; D1233-Q1236 VanDerWaalsContact OD1-OE1 3.12Å; D1233-K1237 PolarHBondContact O-N 3.1Å; D1233-S1981 VanDerWaalsContact C-CA 3.44Å; D1233-S1981 CarbonylContact C-O 3.09Å; D1233-S1981 WeakPolarHBondContact CA-O 3.21Å; D1233-S1981 CarbonylContact O-C 3.55Å; D1233-S1981 WeakPolarHBondContact O-CA 3.25Å; D1233-S1981 PolarHBondContact O-N 3.42Å; D1233-T1982 VanDerWaalsContact CA-O 3.25Å; D1233-T1982 WeakPolarHBondContact CA-O 3.43Å; D1233-T1982 HydrophobicContact CB-CG2 4.24Å; D1233-T1982 WeakPolarHBondContact CB-O 3.24Å; D1233-T1982 WeakPolarHBondContact O-CA 3.04Å; D1233-T1982 CovalentContact O-N 1.78Å; D1233-T1982 PolarHBondContact O-N 3.07Å; D1233-T1982 CovalentContact OD1-C 0.55Å; D1233-T1982 WeakPolarHBondContact OD1-CA 3.33Å; D1233-T1982 WeakPolarHBondContact OD1-CB 3.37Å; D1233-T1982 PolarHBondContact OD1-N 3.1Å; D1233-T1982 WeakPolarHBondContact OD2-CA 3.29Å; D1233-P1983 HydrophobicContact CB-CB 3.61Å; D1233-P1983 VanDerWaalsContact CB-CD 3.45Å; D1233-P1983 HydrophobicContact CB-CG 3.58Å; D1233-P1983 CovalentContact CG-N 1.22Å; D1233-P1983 WeakPolarHBondContact OD1-CA 3.41Å; D1233-P1983 WeakPolarHBondContact OD1-CB 3.16Å; D1233-P1983 WeakPolarHBondContact OD1-CD 3.16Å; D1233-P1983 WeakPolarHBondContact OD1-CG 3.17Å; D1233-P1983 CovalentContact OD1-N 1.1Å; D1233-P1983 WeakPolarHBondContact OD2-CA 3.32Å; D1233-P1983 CovalentContact OD2-CB 1.34Å; D1233-P1983 WeakPolarHBondContact OD2-CB 3.17Å; D1233-P1983 WeakPolarHBondContact OD2-CD 3.25Å; D1233-P1983 WeakPolarHBondContact OD2-CG 3.35Å |
| 1234 | A | 73.7 | Confident | 66.5 | Low | 61 Ų | 61 | 68.5 Ų | 68.5 | 50% | 0.504 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -73.5 | 0 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S1230 T1231 Q1236 K1237 Q1238 S1981 | S1230-A1234 PolarHBondContact O-N 3.12Å; T1231-A1234 CarbonylContact O-C 3.37Å; A1234-Q1236 VanDerWaalsContact C-N 3.27Å; A1234-K1237 PolarHBondContact O-N 3.45Å; A1234-Q1238 WeakPolarHBondContact O-CB 1.49Å; A1234-Q1238 PolarHBondContact O-N 3.48Å; A1234-S1981 PolarHBondContact O-N 2.82Å |
| 1235 | L | 59.3 | Low | 66.7 | Low | 21 Ų | 21 | 69.9 Ų | 69.9 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | H | α-helix | 0 | -20.5 | 0 | -84.9 | 162.1 | 0 | 0 | 0 | 110.4 | T1231 T1232 D1233 Q1238 I1239 N1974 N1975 T1976 N1979 A1980 S1981 | T1231-L1235 WeakPolarHBondContact O-CA 2.19Å; T1231-L1235 WeakPolarHBondContact O-CB 2.33Å; T1231-L1235 VanDerWaalsContact O-CD1 3.24Å; T1231-L1235 WeakPolarHBondContact O-CD1 2.06Å; T1231-L1235 WeakPolarHBondContact O-CG 3.46Å; T1231-L1235 PolarHBondContact O-N 2.59Å; T1232-L1235 CarbonylContact O-C 2.89Å; T1232-L1235 PolarHBondContact O-N 3.06Å; D1233-L1235 VanDerWaalsContact C-N 3.34Å; L1235-Q1238 CarbonylContact O-C 3.09Å; L1235-Q1238 PolarHBondContact O-N 2.81Å; L1235-I1239 VanDerWaalsContact C-CD1 3.43Å; L1235-I1239 HydrophobicContact CB-CD1 4.06Å; L1235-I1239 HydrophobicContact CB-CG1 4.26Å; L1235-I1239 WeakPolarHBondContact O-CA 1.51Å; L1235-I1239 WeakPolarHBondContact O-CB 3.45Å; L1235-I1239 WeakPolarHBondContact O-CD1 3.47Å; L1235-I1239 WeakPolarHBondContact O-CG1 3.45Å; L1235-I1239 PolarHBondContact O-N 3.5Å; L1235-N1974 WeakPolarHBondContact CD1-O 2.39Å; L1235-N1975 WeakPolarHBondContact CD1-O 2.3Å; L1235-N1975 WeakPolarHBondContact CD2-O 2.06Å; L1235-T1976 HydrophobicContact CB-CG2 3.87Å; L1235-T1976 HydrophobicContact CD1-CG2 3.08Å; L1235-T1976 CovalentContact CD2-CG2 1.56Å; L1235-T1976 HydrophobicContact CD2-CG2 1.56Å; L1235-T1976 HydrophobicContact CG-CG2 2.77Å; L1235-N1979 CarbonylContact C-O 3.11Å; L1235-N1979 CarbonylContact O-C 3.45Å; L1235-N1979 WeakPolarHBondContact O-CA 3.49Å; L1235-A1980 CarbonylContact C-O 3.55Å; L1235-A1980 CarbonylContact O-C 3.27Å; L1235-A1980 WeakPolarHBondContact O-CA 3.42Å; L1235-A1980 VanDerWaalsContact O-CB 3.3Å; L1235-A1980 WeakPolarHBondContact O-CB 2.85Å; L1235-A1980 CovalentContact O-N 1.23Å; L1235-A1980 PolarHBondContact O-N 2.95Å; L1235-S1981 PolarHBondContact O-N 3.34Å | |
| 1236 | Q | 66 | Low | 66.5 | Low | 80 Ų | 80 | 69.7 Ų | 69.7 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -74.7 | -31.3 | 172.3 | -156.1 | 162.7 | -15.4 | 0 | 0 | 110.8 | T1232 D1233 A1234 I1239 Q1240 A1980 S1981 T1982 | T1232-Q1236 VanDerWaalsContact O-CA 3.22Å; T1232-Q1236 WeakPolarHBondContact O-CA 2.39Å; T1232-Q1236 WeakPolarHBondContact O-CB 1.79Å; T1232-Q1236 PolarHBondContact O-N 3.42Å; D1233-Q1236 CarbonylContact O-C 3.22Å; D1233-Q1236 VanDerWaalsContact O-CB 3.28Å; D1233-Q1236 WeakPolarHBondContact O-CB 2.23Å; D1233-Q1236 PolarHBondContact O-N 3.08Å; D1233-Q1236 PolarHBondContact OD1-OE1 3.22Å; D1233-Q1236 VanDerWaalsContact OD1-OE1 3.12Å; A1234-Q1236 VanDerWaalsContact C-N 3.27Å; Q1236-I1239 CarbonylContact O-C 2.9Å; Q1236-I1239 PolarHBondContact O-N 2.92Å; Q1236-Q1240 PolarHBondContact O-N 3.23Å; Q1236-A1980 CovalentContact C-C 1.03Å; Q1236-A1980 CarbonylContact C-O 3.48Å; Q1236-A1980 CovalentContact CA-O 1.4Å; Q1236-A1980 WeakPolarHBondContact CA-O 3.49Å; Q1236-A1980 WeakPolarHBondContact CB-O 3.28Å; Q1236-A1980 VanDerWaalsContact CG-O 3.24Å; Q1236-A1980 WeakPolarHBondContact CG-O 3.45Å; Q1236-A1980 PolarHBondContact N-O 2.25Å; Q1236-A1980 CarbonylContact O-C 3.39Å; Q1236-A1980 WeakPolarHBondContact O-CA 3.27Å; Q1236-A1980 WeakPolarHBondContact O-CB 3.3Å; Q1236-S1981 CovalentContact C-N 1.15Å; Q1236-S1981 CarbonylContact C-O 3.3Å; Q1236-S1981 CovalentContact CA-N 1.34Å; Q1236-S1981 WeakPolarHBondContact CA-O 2.08Å; Q1236-S1981 WeakPolarHBondContact CA-OG 3.45Å; Q1236-S1981 CovalentContact CB-O 0.75Å; Q1236-S1981 WeakPolarHBondContact CB-O 3.49Å; Q1236-S1981 WeakPolarHBondContact CB-OG 3.33Å; Q1236-S1981 WeakPolarHBondContact CG-O 3.44Å; Q1236-S1981 WeakPolarHBondContact CG-OG 3.34Å; Q1236-S1981 PolarHBondContact N-O 2.98Å; Q1236-S1981 PolarHBondContact NE2-O 3.42Å; Q1236-S1981 WeakPolarHBondContact O-CA 2.65Å; Q1236-S1981 WeakPolarHBondContact O-CB 1.78Å; Q1236-S1981 PolarHBondContact O-N 2.94Å; Q1236-S1981 CovalentContact O-OG 1.05Å; Q1236-S1981 PolarHBondContact O-OG 2.94Å; Q1236-S1981 VanDerWaalsContact OE1-C 3.27Å; Q1236-S1981 PolarHBondContact OE1-O 2.83Å; Q1236-T1982 PolarHBondContact OE1-O 3.29Å |
| 1237 | K | 72.7 | Confident | 66.3 | Low | 139 Ų | 139 | 74 Ų | 74 | 60% | 0.604 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -83 | -30.8 | 174.2 | -85.6 | -176.5 | -177.5 | 176.9 | 0 | 109.5 | D1233 A1234 I1239 Q1240 S1241 A1980 S1981 T1982 | D1233-K1237 PolarHBondContact O-N 3.1Å; A1234-K1237 PolarHBondContact O-N 3.45Å; K1237-I1239 VanDerWaalsContact C-N 3.28Å; K1237-Q1240 PolarHBondContact O-N 3.3Å; K1237-S1241 PolarHBondContact O-N 2.87Å; K1237-A1980 VanDerWaalsContact N-CB 3.3Å; K1237-A1980 PolarHBondContact N-O 1.9Å; K1237-A1980 WeakPolarHBondContact O-CA 3.45Å; K1237-A1980 WeakPolarHBondContact O-CB 1.69Å; K1237-S1981 WeakPolarHBondContact CA-OG 3.32Å; K1237-S1981 VanDerWaalsContact CG-CA 3.42Å; K1237-S1981 CovalentContact N-CA 1.49Å; K1237-S1981 CovalentContact N-N 1.35Å; K1237-S1981 PolarHBondContact N-OG 2.8Å; K1237-T1982 HydrophobicContact CD-CG2 4.16Å; K1237-T1982 VanDerWaalsContact CE-CG2 3.41Å; K1237-T1982 HydrophobicContact CG-CG2 4.09Å |
| 1238 | Q | 70.1 | Confident | 66.3 | Low | 111 Ų | 111 | 74.8 Ų | 74.8 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -76.1 | 0 | 169.5 | -121.2 | 179.3 | 3.4 | 0 | 0 | 111.7 | A1234 L1235 S1241 L1242 N1979 A1980 | A1234-Q1238 WeakPolarHBondContact O-CB 1.49Å; A1234-Q1238 PolarHBondContact O-N 3.48Å; L1235-Q1238 CarbonylContact O-C 3.09Å; L1235-Q1238 PolarHBondContact O-N 2.81Å; Q1238-S1241 CarbonylContact O-C 3.41Å; Q1238-S1241 PolarHBondContact O-N 3.46Å; Q1238-L1242 HydrophobicContact CB-CD1 4.46Å; Q1238-L1242 WeakPolarHBondContact O-CA 2.44Å; Q1238-L1242 WeakPolarHBondContact O-CB 2.15Å; Q1238-L1242 WeakPolarHBondContact O-CD1 1.86Å; Q1238-L1242 WeakPolarHBondContact O-CG 1.81Å; Q1238-L1242 PolarHBondContact O-N 3.32Å; Q1238-N1979 CovalentContact C-CA 1.81Å; Q1238-N1979 VanDerWaalsContact CA-C 3.45Å; Q1238-N1979 VanDerWaalsContact CA-OD1 3.23Å; Q1238-N1979 WeakPolarHBondContact CA-OD1 3.29Å; Q1238-N1979 CarbonylContact O-C 3.56Å; Q1238-N1979 WeakPolarHBondContact O-CA 2.44Å; Q1238-N1979 WeakPolarHBondContact O-CB 1.38Å; Q1238-N1979 PolarHBondContact O-N 3.42Å; Q1238-N1979 VanDerWaalsContact O-N 3.14Å; Q1238-N1979 PolarHBondContact O-ND2 2.54Å; Q1238-N1979 CovalentContact O-OD1 1.05Å; Q1238-N1979 PolarHBondContact O-OD1 3.43Å; Q1238-A1980 HydrophobicContact CB-CB 4.01Å; Q1238-A1980 CovalentContact N-CA 1.85Å; Q1238-A1980 WeakPolarHBondContact O-CB 1.71Å; Q1238-A1980 PolarHBondContact O-N 3.19Å |
| 1239 | I | 56.7 | Low | 66.6 | Low | 12 Ų | 12 | 74.6 Ų | 74.6 | 6% | 0.062 | 38% | 0.382 | C | S | . | . | H | α-helix | 0 | -25.7 | 0 | -73.7 | 177.5 | 0 | 0 | 0 | 108.1 | L1235 Q1236 K1237 L1242 K1243 N1975 N1978 N1979 A1980 | L1235-I1239 VanDerWaalsContact C-CD1 3.43Å; L1235-I1239 HydrophobicContact CB-CD1 4.06Å; L1235-I1239 HydrophobicContact CB-CG1 4.26Å; L1235-I1239 WeakPolarHBondContact O-CA 1.51Å; L1235-I1239 WeakPolarHBondContact O-CB 3.45Å; L1235-I1239 WeakPolarHBondContact O-CD1 3.47Å; L1235-I1239 WeakPolarHBondContact O-CG1 3.45Å; L1235-I1239 PolarHBondContact O-N 3.5Å; Q1236-I1239 CarbonylContact O-C 2.9Å; Q1236-I1239 PolarHBondContact O-N 2.92Å; K1237-I1239 VanDerWaalsContact C-N 3.28Å; I1239-L1242 CarbonylContact O-C 3.57Å; I1239-K1243 HydrophobicContact CG2-CD 4.07Å; I1239-K1243 HydrophobicContact CG2-CG 3.87Å; I1239-K1243 WeakPolarHBondContact O-CA 3.42Å; I1239-K1243 WeakPolarHBondContact O-CB 3.4Å; I1239-K1243 WeakPolarHBondContact O-CD 2.54Å; I1239-K1243 WeakPolarHBondContact O-CG 3.41Å; I1239-K1243 PolarHBondContact O-N 2.83Å; I1239-N1975 HydrophobicContact CD1-CB 3.24Å; I1239-N1975 WeakPolarHBondContact CD1-ND2 3.22Å; I1239-N1975 HydrophobicContact CG1-CB 3.71Å; I1239-N1975 VanDerWaalsContact CG1-ND2 3.33Å; I1239-N1975 WeakPolarHBondContact CG1-ND2 3.13Å; I1239-N1978 WeakPolarHBondContact CA-O 1.68Å; I1239-N1978 VanDerWaalsContact CG1-C 3.46Å; I1239-N1978 VanDerWaalsContact CG1-O 3.26Å; I1239-N1978 WeakPolarHBondContact CG1-O 3.48Å; I1239-N1978 WeakPolarHBondContact CG2-O 3.44Å; I1239-N1979 CovalentContact C-CB 1.88Å; I1239-N1979 VanDerWaalsContact C-ND2 3.33Å; I1239-N1979 CarbonylContact C-O 3.03Å; I1239-N1979 CovalentContact CA-C 1.3Å; I1239-N1979 WeakPolarHBondContact CA-O 1.86Å; I1239-N1979 HydrophobicContact CB-CB 3.05Å; I1239-N1979 VanDerWaalsContact CB-N 3.28Å; I1239-N1979 CovalentContact CB-O 0.76Å; I1239-N1979 WeakPolarHBondContact CB-O 3.42Å; I1239-N1979 WeakPolarHBondContact CD1-O 3.21Å; I1239-N1979 HydrophobicContact CG1-CB 3.75Å; I1239-N1979 CovalentContact CG1-O 0.95Å; I1239-N1979 WeakPolarHBondContact CG1-O 3.36Å; I1239-N1979 HydrophobicContact CG2-CB 3.65Å; I1239-N1979 WeakPolarHBondContact CG2-O 3.11Å; I1239-N1979 CovalentContact N-C 1.18Å; I1239-N1979 PolarHBondContact N-O 3.39Å; I1239-N1979 PolarHBondContact N-OD1 3.3Å; I1239-N1979 WeakPolarHBondContact O-CA 3.35Å; I1239-N1979 WeakPolarHBondContact O-CB 3.27Å; I1239-N1979 PolarHBondContact O-ND2 3.14Å; I1239-A1980 VanDerWaalsContact C-CA 3.4Å; I1239-A1980 VanDerWaalsContact CA-O 3.22Å; I1239-A1980 WeakPolarHBondContact CA-O 3.14Å; I1239-A1980 HydrophobicContact CB-CB 3.29Å; I1239-A1980 WeakPolarHBondContact CB-O 2.83Å; I1239-A1980 WeakPolarHBondContact CD1-O 3Å; I1239-A1980 HydrophobicContact CG1-CB 4.32Å; I1239-A1980 WeakPolarHBondContact CG1-O 3.32Å; I1239-A1980 HydrophobicContact CG2-CB 4.42Å; I1239-A1980 WeakPolarHBondContact CG2-O 3.33Å; I1239-A1980 CovalentContact N-N 1.33Å; I1239-A1980 PolarHBondContact N-O 3.42Å; I1239-A1980 VanDerWaalsContact N-O 3.09Å; I1239-A1980 WeakPolarHBondContact O-CB 1.89Å | |
| 1240 | Q | 70.3 | Confident | 66.1 | Low | 125 Ų | 125 | 73.8 Ų | 73.8 | 58% | 0.584 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -75.4 | -38.2 | 172.1 | -109.5 | -179 | 2 | 0 | 0 | 111.7 | Q1236 K1237 K1243 Q1244 N1979 A1980 | Q1236-Q1240 PolarHBondContact O-N 3.23Å; K1237-Q1240 PolarHBondContact O-N 3.3Å; Q1240-K1243 VanDerWaalsContact CA-CB 3.49Å; Q1240-K1243 HydrophobicContact CG-CD 4.45Å; Q1240-K1243 WeakPolarHBondContact O-CB 3.06Å; Q1240-K1243 PolarHBondContact O-N 2.84Å; Q1240-Q1244 PolarHBondContact O-N 3.44Å; Q1240-Q1244 VanDerWaalsContact O-N 3.12Å; Q1240-N1979 PolarHBondContact O-ND2 3.3Å; Q1240-A1980 HydrophobicContact CB-CB 3.52Å; Q1240-A1980 CovalentContact N-CB 1.77Å |
| 1241 | S | 71.4 | Confident | 65.8 | Low | 62 Ų | 62 | 77.7 Ų | 77.7 | 43% | 0.434 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -77.3 | 0 | 173.2 | 119.5 | 0 | 0 | 0 | 0 | 111.3 | K1237 Q1238 Q1244 D1245 N1979 | K1237-S1241 PolarHBondContact O-N 2.87Å; Q1238-S1241 CarbonylContact O-C 3.41Å; Q1238-S1241 PolarHBondContact O-N 3.46Å; S1241-Q1244 PolarHBondContact O-N 2.69Å; S1241-D1245 PolarHBondContact O-N 3.18Å; S1241-N1979 VanDerWaalsContact CA-CG 3.43Å; S1241-N1979 WeakPolarHBondContact CA-ND2 3.43Å; S1241-N1979 PolarHBondContact N-ND2 2.76Å; S1241-N1979 PolarHBondContact O-ND2 2.9Å; S1241-N1979 PolarHBondContact OG-OD1 3.42Å |
| 1242 | L | 60.1 | Low | 65.8 | Low | 9 Ų | 9 | 84.2 Ų | 84.2 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -88.6 | 160.1 | 0 | 0 | 0 | 109.3 | Q1238 I1239 D1245 K1246 N1977 N1978 N1979 | Q1238-L1242 HydrophobicContact CB-CD1 4.46Å; Q1238-L1242 WeakPolarHBondContact O-CA 2.44Å; Q1238-L1242 WeakPolarHBondContact O-CB 2.15Å; Q1238-L1242 WeakPolarHBondContact O-CD1 1.86Å; Q1238-L1242 WeakPolarHBondContact O-CG 1.81Å; Q1238-L1242 PolarHBondContact O-N 3.32Å; I1239-L1242 CarbonylContact O-C 3.57Å; L1242-D1245 CarbonylContact O-C 2.9Å; L1242-D1245 VanDerWaalsContact O-C 3.31Å; L1242-D1245 PolarHBondContact O-N 3.35Å; L1242-K1246 VanDerWaalsContact C-N 3.27Å; L1242-K1246 WeakPolarHBondContact O-CA 3.07Å; L1242-K1246 WeakPolarHBondContact O-CB 2.85Å; L1242-K1246 PolarHBondContact O-N 3.31Å; L1242-N1977 VanDerWaalsContact CD1-C 3.45Å; L1242-N1977 HydrophobicContact CD1-CB 4.13Å; L1242-N1977 WeakPolarHBondContact CD1-OD1 3.22Å; L1242-N1977 HydrophobicContact CD2-CB 3.29Å; L1242-N1977 WeakPolarHBondContact CD2-OD1 2.05Å; L1242-N1977 HydrophobicContact CG-CB 4.3Å; L1242-N1977 WeakPolarHBondContact CG-OD1 2.79Å; L1242-N1978 VanDerWaalsContact CA-CB 3.44Å; L1242-N1978 HydrophobicContact CB-CB 2.31Å; L1242-N1978 WeakPolarHBondContact CB-O 1.63Å; L1242-N1978 WeakPolarHBondContact CB-OD1 2.05Å; L1242-N1978 HydrophobicContact CD1-CB 3.07Å; L1242-N1978 WeakPolarHBondContact CD1-OD1 3.24Å; L1242-N1978 HydrophobicContact CD2-CB 2.61Å; L1242-N1978 WeakPolarHBondContact CD2-ND2 3.42Å; L1242-N1978 CovalentContact CD2-OD1 0.89Å; L1242-N1978 WeakPolarHBondContact CD2-OD1 3.48Å; L1242-N1978 HydrophobicContact CG-CB 2.69Å; L1242-N1978 WeakPolarHBondContact CG-ND2 2.15Å; L1242-N1978 WeakPolarHBondContact CG-OD1 2.42Å; L1242-N1979 WeakPolarHBondContact CA-ND2 1.67Å; L1242-N1979 WeakPolarHBondContact CA-OD1 3.07Å; L1242-N1979 HydrophobicContact CB-CB 2.61Å; L1242-N1979 WeakPolarHBondContact CB-ND2 1.99Å; L1242-N1979 WeakPolarHBondContact CB-OD1 3.45Å; L1242-N1979 HydrophobicContact CD1-CB 4Å; L1242-N1979 WeakPolarHBondContact CD1-OD1 3.39Å; L1242-N1979 HydrophobicContact CG-CB 3.73Å; L1242-N1979 WeakPolarHBondContact CG-OD1 3.49Å; L1242-N1979 CovalentContact N-ND2 0.87Å; L1242-N1979 PolarHBondContact N-ND2 2.75Å; L1242-N1979 PolarHBondContact N-OD1 3.24Å; L1242-N1979 PolarHBondContact O-ND2 2.92Å; L1242-N1979 VanDerWaalsContact O-ND2 3.12Å | |
| 1243 | K | 60.8 | Low | 65.7 | Low | 112 Ų | 112 | 89.2 Ų | 89.2 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | H | α-helix | 0 | -28.3 | 0 | -101.8 | -175.3 | 179.1 | 179.4 | 0 | 110.3 | I1239 Q1240 K1246 M1247 N1979 | I1239-K1243 HydrophobicContact CG2-CD 4.07Å; I1239-K1243 HydrophobicContact CG2-CG 3.87Å; I1239-K1243 WeakPolarHBondContact O-CA 3.42Å; I1239-K1243 WeakPolarHBondContact O-CB 3.4Å; I1239-K1243 WeakPolarHBondContact O-CD 2.54Å; I1239-K1243 WeakPolarHBondContact O-CG 3.41Å; I1239-K1243 PolarHBondContact O-N 2.83Å; Q1240-K1243 VanDerWaalsContact CA-CB 3.49Å; Q1240-K1243 HydrophobicContact CG-CD 4.45Å; Q1240-K1243 WeakPolarHBondContact O-CB 3.06Å; Q1240-K1243 PolarHBondContact O-N 2.84Å; K1243-K1246 CarbonylContact O-C 2.82Å; K1243-M1247 VanDerWaalsContact O-CB 3.3Å; K1243-M1247 WeakPolarHBondContact O-CB 3.45Å; K1243-M1247 VanDerWaalsContact O-CG 3.22Å; K1243-M1247 WeakPolarHBondContact O-CG 3.44Å; K1243-M1247 PolarHBondContact O-N 3.42Å; K1243-N1979 VanDerWaalsContact CA-ND2 3.25Å; K1243-N1979 WeakPolarHBondContact CA-ND2 3.46Å; K1243-N1979 HydrophobicContact CB-CB 4.44Å; K1243-N1979 CovalentContact N-ND2 1.82Å; K1243-N1979 PolarHBondContact N-ND2 0.99Å | |
| 1244 | Q | 72 | Confident | 65.1 | Low | 142 Ų | 142 | 96.1 Ų | 96.1 | 66% | 0.664 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -81.1 | -36.5 | 171.3 | -118.6 | 176.4 | -2.6 | 0 | 0 | 111.3 | Q1240 S1241 K1246 M1247 E1248 | Q1240-Q1244 PolarHBondContact O-N 3.44Å; Q1240-Q1244 VanDerWaalsContact O-N 3.12Å; S1241-Q1244 PolarHBondContact O-N 2.69Å; Q1244-K1246 VanDerWaalsContact C-N 3.29Å; Q1244-M1247 WeakPolarHBondContact O-CB 3.45Å; Q1244-M1247 PolarHBondContact O-N 3.03Å; Q1244-M1247 VanDerWaalsContact O-N 3.08Å; Q1244-E1248 PolarHBondContact O-N 3.45Å |
| 1245 | D | 67.8 | Low | 64.8 | Low | 88 Ų | 88 | 99.1 Ų | 99.1 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -80.2 | 0 | 174.2 | -78.7 | -12.7 | 0 | 0 | 0 | 110.4 | S1241 L1242 M1247 E1248 I1249 | S1241-D1245 PolarHBondContact O-N 3.18Å; L1242-D1245 CarbonylContact O-C 2.9Å; L1242-D1245 VanDerWaalsContact O-C 3.31Å; L1242-D1245 PolarHBondContact O-N 3.35Å; D1245-M1247 PolarHBondContact O-N 3.33Å; D1245-E1248 PolarHBondContact O-N 2.89Å; D1245-I1249 VanDerWaalsContact O-CB 3.28Å; D1245-I1249 WeakPolarHBondContact O-CB 3.44Å; D1245-I1249 VanDerWaalsContact O-CG1 3.32Å; D1245-I1249 WeakPolarHBondContact O-CG1 3.2Å; D1245-I1249 PolarHBondContact O-N 2.98Å |
| 1246 | K | 58.4 | Low | 65.2 | Low | 62 Ų | 62 | 102.3 Ų | 102.3 | 27% | 0.27 | 47% | 0.471 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -168.5 | -178.1 | 171.8 | -178.4 | 0 | 109.8 | L1242 K1243 Q1244 I1249 D1250 N1978 | L1242-K1246 VanDerWaalsContact C-N 3.27Å; L1242-K1246 WeakPolarHBondContact O-CA 3.07Å; L1242-K1246 WeakPolarHBondContact O-CB 2.85Å; L1242-K1246 PolarHBondContact O-N 3.31Å; K1243-K1246 CarbonylContact O-C 2.82Å; Q1244-K1246 VanDerWaalsContact C-N 3.29Å; K1246-I1249 CarbonylContact O-C 2.72Å; K1246-D1250 VanDerWaalsContact C-CG 3.41Å; K1246-D1250 VanDerWaalsContact CG-CG 3.49Å; K1246-D1250 WeakPolarHBondContact CG-OD2 3.28Å; K1246-D1250 WeakPolarHBondContact O-CA 3.32Å; K1246-D1250 WeakPolarHBondContact O-CB 3.27Å; K1246-D1250 PolarHBondContact O-N 3.3Å; K1246-N1978 HydrophobicContact CB-CB 4.49Å | |
| 1247 | M | 66.7 | Low | 64.7 | Low | 131 Ų | 131 | 101.7 Ų | 101.7 | 65% | 0.645 | 47% | 0.468 | S | S | * | . | H | α-helix | 0 | -24.9 | 0 | -97.7 | -177.6 | 103.1 | 0 | 0 | 110.6 | K1243 Q1244 D1245 K1251 | K1243-M1247 VanDerWaalsContact O-CB 3.3Å; K1243-M1247 WeakPolarHBondContact O-CB 3.45Å; K1243-M1247 VanDerWaalsContact O-CG 3.22Å; K1243-M1247 WeakPolarHBondContact O-CG 3.44Å; K1243-M1247 PolarHBondContact O-N 3.42Å; Q1244-M1247 WeakPolarHBondContact O-CB 3.45Å; Q1244-M1247 PolarHBondContact O-N 3.03Å; Q1244-M1247 VanDerWaalsContact O-N 3.08Å; D1245-M1247 PolarHBondContact O-N 3.33Å; M1247-K1251 PolarHBondContact O-N 3.06Å | |
| 1248 | E | 69.9 | Low | 64.4 | Low | 139 Ų | 139 | 98 Ų | 98 | 65% | 0.65 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -91.6 | 0 | 176.4 | -110.1 | -178.9 | 176.7 | 0 | 0 | 110.9 | Q1244 D1245 K1251 R1252 | Q1244-E1248 PolarHBondContact O-N 3.45Å; D1245-E1248 PolarHBondContact O-N 2.89Å; E1248-K1251 WeakPolarHBondContact O-CB 3.2Å; E1248-K1251 PolarHBondContact O-N 3.41Å; E1248-R1252 PolarHBondContact O-N 2.99Å; E1248-R1252 VanDerWaalsContact O-N 3.09Å |
| 1249 | I | 63.7 | Low | 64.3 | Low | 90 Ų | 90 | 99.2 Ų | 99.2 | 46% | 0.462 | 46% | 0.459 | S | S | . | . | H | α-helix | 0 | -19.9 | 0 | -72.9 | 175.5 | 0 | 0 | 0 | 109 | D1245 K1246 K1251 R1252 R1253 | D1245-I1249 VanDerWaalsContact O-CB 3.28Å; D1245-I1249 WeakPolarHBondContact O-CB 3.44Å; D1245-I1249 VanDerWaalsContact O-CG1 3.32Å; D1245-I1249 WeakPolarHBondContact O-CG1 3.2Å; D1245-I1249 PolarHBondContact O-N 2.98Å; K1246-I1249 CarbonylContact O-C 2.72Å; I1249-K1251 VanDerWaalsContact C-N 3.3Å; I1249-R1252 CarbonylContact O-C 3.4Å; I1249-R1252 PolarHBondContact O-N 3.42Å; I1249-R1252 VanDerWaalsContact O-N 3.16Å; I1249-R1253 HydrophobicContact CG2-CB 4.5Å; I1249-R1253 WeakPolarHBondContact O-CA 3.34Å; I1249-R1253 WeakPolarHBondContact O-CB 3.29Å; I1249-R1253 PolarHBondContact O-N 3.45Å | |
| 1250 | D | 56.7 | Low | 64.6 | Low | 18 Ų | 18 | 101.7 Ų | 101.7 | 10% | 0.096 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -75.5 | -29.3 | 170.6 | -93.3 | -13.8 | 0 | 0 | 0 | 110.5 | K1246 R1252 R1253 R1254 | K1246-D1250 VanDerWaalsContact C-CG 3.41Å; K1246-D1250 VanDerWaalsContact CG-CG 3.49Å; K1246-D1250 WeakPolarHBondContact CG-OD2 3.28Å; K1246-D1250 WeakPolarHBondContact O-CA 3.32Å; K1246-D1250 WeakPolarHBondContact O-CB 3.27Å; K1246-D1250 PolarHBondContact O-N 3.3Å; D1250-R1252 VanDerWaalsContact C-N 3.29Å; D1250-R1253 CarbonylContact O-C 3.44Å; D1250-R1253 PolarHBondContact O-N 2.92Å; D1250-R1253 IonicContact OD1-CZ 3.81Å; D1250-R1253 IonicContact OD1-NE 3.23Å; D1250-R1253 PolarHBondContact OD1-NE 3.26Å; D1250-R1253 IonicContact OD1-NH1 3.51Å; D1250-R1253 PolarHBondContact OD1-NH1 2.86Å; D1250-R1253 IonicContact OD1-NH2 3.03Å; D1250-R1254 WeakPolarHBondContact O-CA 1.43Å; D1250-R1254 WeakPolarHBondContact O-CB 1.78Å; D1250-R1254 WeakPolarHBondContact O-CD 3.35Å; D1250-R1254 WeakPolarHBondContact O-CG 3.37Å; D1250-R1254 PolarHBondContact O-N 2.9Å |
| 1251 | K | 65.6 | Low | 64.3 | Low | 155 Ų | 155 | 98.8 Ų | 98.8 | 67% | 0.674 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -71.3 | -33.4 | 172.3 | -138.1 | -180 | 179.8 | -179.9 | 0 | 111.1 | M1247 E1248 I1249 R1254 Q1255 | M1247-K1251 PolarHBondContact O-N 3.06Å; E1248-K1251 WeakPolarHBondContact O-CB 3.2Å; E1248-K1251 PolarHBondContact O-N 3.41Å; I1249-K1251 VanDerWaalsContact C-N 3.3Å; K1251-R1254 WeakPolarHBondContact O-CB 2.44Å; K1251-R1254 PolarHBondContact O-N 3.13Å; K1251-Q1255 PolarHBondContact O-N 3.43Å |
| 1252 | R | 68.6 | Low | 64.1 | Low | 194 Ų | 194 | 100.4 Ų | 100.4 | 73% | 0.732 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -87.1 | 0 | 179.5 | -86.7 | -175.2 | -172.6 | 168.8 | -0.6 | 110.2 | E1248 I1249 D1250 R1254 Q1255 V1256 | E1248-R1252 PolarHBondContact O-N 2.99Å; E1248-R1252 VanDerWaalsContact O-N 3.09Å; I1249-R1252 CarbonylContact O-C 3.4Å; I1249-R1252 PolarHBondContact O-N 3.42Å; I1249-R1252 VanDerWaalsContact O-N 3.16Å; D1250-R1252 VanDerWaalsContact C-N 3.29Å; R1252-R1254 PolarHBondContact O-N 2.85Å; R1252-Q1255 WeakPolarHBondContact O-CB 3.44Å; R1252-Q1255 PolarHBondContact O-N 3.13Å; R1252-Q1255 VanDerWaalsContact O-N 3.15Å; R1252-V1256 WeakPolarHBondContact O-CB 3.26Å; R1252-V1256 WeakPolarHBondContact O-CG2 2.95Å; R1252-V1256 PolarHBondContact O-N 3.2Å |
| 1253 | R | 57.3 | Low | 64.3 | Low | 108 Ų | 108 | 100.5 Ų | 100.5 | 41% | 0.408 | 46% | 0.463 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -170 | -176.8 | 94.9 | -173.8 | 0.7 | 109.5 | I1249 D1250 V1256 E1257 | I1249-R1253 HydrophobicContact CG2-CB 4.5Å; I1249-R1253 WeakPolarHBondContact O-CA 3.34Å; I1249-R1253 WeakPolarHBondContact O-CB 3.29Å; I1249-R1253 PolarHBondContact O-N 3.45Å; D1250-R1253 CarbonylContact O-C 3.44Å; D1250-R1253 PolarHBondContact O-N 2.92Å; D1250-R1253 IonicContact OD1-CZ 3.81Å; D1250-R1253 IonicContact OD1-NE 3.23Å; D1250-R1253 PolarHBondContact OD1-NE 3.26Å; D1250-R1253 IonicContact OD1-NH1 3.51Å; D1250-R1253 PolarHBondContact OD1-NH1 2.86Å; D1250-R1253 IonicContact OD1-NH2 3.03Å; R1253-V1256 CarbonylContact O-C 2.8Å; R1253-V1256 VanDerWaalsContact O-C 3.31Å; R1253-V1256 PolarHBondContact O-N 2.88Å; R1253-E1257 WeakPolarHBondContact CD-OE1 3.33Å; R1253-E1257 VanDerWaalsContact CG-CD 3.4Å; R1253-E1257 HydrophobicContact CG-CG 3.73Å; R1253-E1257 VanDerWaalsContact CG-OE1 3.29Å; R1253-E1257 WeakPolarHBondContact CG-OE1 3.25Å; R1253-E1257 IonicContact CZ-OE1 3.3Å; R1253-E1257 VanDerWaalsContact CZ-OE1 3.26Å; R1253-E1257 IonicContact NE-OE1 3.21Å; R1253-E1257 PolarHBondContact NE-OE1 3.3Å; R1253-E1257 IonicContact NE-OE2 3.9Å; R1253-E1257 PolarHBondContact NE-OE2 3.37Å; R1253-E1257 IonicContact NH2-OE1 3.2Å; R1253-E1257 PolarHBondContact NH2-OE1 3.34Å; R1253-E1257 IonicContact NH2-OE2 2.75Å; R1253-E1257 WeakPolarHBondContact O-CA 3.12Å; R1253-E1257 WeakPolarHBondContact O-CB 1.56Å; R1253-E1257 WeakPolarHBondContact O-CG 2.09Å; R1253-E1257 PolarHBondContact O-N 2.84Å | |
| 1254 | R | 59.5 | Low | 64.4 | Low | 159 Ų | 159 | 97.1 Ų | 97.1 | 60% | 0.6 | 45% | 0.45 | S | S | * | . | H | α-helix | 0 | -28.7 | 0 | -84.1 | -176.5 | -170.2 | 173.9 | 1.1 | 110.3 | D1250 K1251 R1252 V1256 Q1258 | D1250-R1254 WeakPolarHBondContact O-CA 1.43Å; D1250-R1254 WeakPolarHBondContact O-CB 1.78Å; D1250-R1254 WeakPolarHBondContact O-CD 3.35Å; D1250-R1254 WeakPolarHBondContact O-CG 3.37Å; D1250-R1254 PolarHBondContact O-N 2.9Å; K1251-R1254 WeakPolarHBondContact O-CB 2.44Å; K1251-R1254 PolarHBondContact O-N 3.13Å; R1252-R1254 PolarHBondContact O-N 2.85Å; R1254-V1256 VanDerWaalsContact C-N 3.29Å; R1254-Q1258 WeakPolarHBondContact O-CA 3.5Å; R1254-Q1258 WeakPolarHBondContact O-CB 3.37Å; R1254-Q1258 PolarHBondContact O-N 3.04Å | |
| 1255 | Q | 68.2 | Low | 64.3 | Low | 125 Ų | 125 | 93 Ų | 93 | 58% | 0.584 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -77.7 | -32.8 | 175.3 | -109 | 176.6 | 0.1 | 0 | 0 | 110.5 | K1251 R1252 E1257 Q1258 Q1259 | K1251-Q1255 PolarHBondContact O-N 3.43Å; R1252-Q1255 WeakPolarHBondContact O-CB 3.44Å; R1252-Q1255 PolarHBondContact O-N 3.13Å; R1252-Q1255 VanDerWaalsContact O-N 3.15Å; Q1255-E1257 VanDerWaalsContact C-N 3.34Å; Q1255-Q1258 PolarHBondContact O-N 2.99Å; Q1255-Q1259 VanDerWaalsContact O-CB 3.28Å; Q1255-Q1259 WeakPolarHBondContact O-CB 3.44Å; Q1255-Q1259 WeakPolarHBondContact O-CG 3.13Å; Q1255-Q1259 PolarHBondContact O-N 3.32Å |
| 1256 | V | 65.9 | Low | 64.4 | Low | 88 Ų | 88 | 94.6 Ų | 94.6 | 53% | 0.533 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -87.7 | -24.2 | 180 | 170.9 | 0 | 0 | 0 | 0 | 108.6 | R1252 R1253 R1254 Q1258 Q1259 L1260 | R1252-V1256 WeakPolarHBondContact O-CB 3.26Å; R1252-V1256 WeakPolarHBondContact O-CG2 2.95Å; R1252-V1256 PolarHBondContact O-N 3.2Å; R1253-V1256 CarbonylContact O-C 2.8Å; R1253-V1256 VanDerWaalsContact O-C 3.31Å; R1253-V1256 PolarHBondContact O-N 2.88Å; R1254-V1256 VanDerWaalsContact C-N 3.29Å; V1256-Q1258 VanDerWaalsContact C-N 3.29Å; V1256-Q1259 CarbonylContact O-C 3.32Å; V1256-Q1259 PolarHBondContact O-N 3.48Å; V1256-L1260 VanDerWaalsContact O-CA 3.28Å; V1256-L1260 WeakPolarHBondContact O-CA 3.34Å; V1256-L1260 WeakPolarHBondContact O-CB 3.34Å; V1256-L1260 PolarHBondContact O-N 2.9Å |
| 1257 | E | 56.5 | Low | 64.6 | Low | 66 Ų | 66 | 91.7 Ų | 91.7 | 31% | 0.308 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -80.3 | 0 | 175.3 | -93.7 | 177.9 | 176.9 | 0 | 0 | 109.6 | R1253 Q1255 Q1259 L1260 N1261 | R1253-E1257 WeakPolarHBondContact CD-OE1 3.33Å; R1253-E1257 VanDerWaalsContact CG-CD 3.4Å; R1253-E1257 HydrophobicContact CG-CG 3.73Å; R1253-E1257 VanDerWaalsContact CG-OE1 3.29Å; R1253-E1257 WeakPolarHBondContact CG-OE1 3.25Å; R1253-E1257 IonicContact CZ-OE1 3.3Å; R1253-E1257 VanDerWaalsContact CZ-OE1 3.26Å; R1253-E1257 IonicContact NE-OE1 3.21Å; R1253-E1257 PolarHBondContact NE-OE1 3.3Å; R1253-E1257 IonicContact NE-OE2 3.9Å; R1253-E1257 PolarHBondContact NE-OE2 3.37Å; R1253-E1257 IonicContact NH2-OE1 3.2Å; R1253-E1257 PolarHBondContact NH2-OE1 3.34Å; R1253-E1257 IonicContact NH2-OE2 2.75Å; R1253-E1257 WeakPolarHBondContact O-CA 3.12Å; R1253-E1257 WeakPolarHBondContact O-CB 1.56Å; R1253-E1257 WeakPolarHBondContact O-CG 2.09Å; R1253-E1257 PolarHBondContact O-N 2.84Å; Q1255-E1257 VanDerWaalsContact C-N 3.34Å; E1257-Q1259 VanDerWaalsContact C-N 3.25Å; E1257-L1260 CarbonylContact O-C 3.19Å; E1257-L1260 WeakPolarHBondContact O-CA 3.22Å; E1257-L1260 PolarHBondContact O-N 2.81Å; E1257-L1260 VanDerWaalsContact O-N 3.1Å; E1257-N1261 VanDerWaalsContact C-N 3.33Å; E1257-N1261 WeakPolarHBondContact O-CA 3.1Å; E1257-N1261 WeakPolarHBondContact O-CB 3.33Å; E1257-N1261 PolarHBondContact O-N 2.76Å |
| 1258 | Q | 67 | Low | 64.7 | Low | 63 Ų | 63 | 88 Ų | 88 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | H | α-helix | 0 | -30.2 | 0 | -146.3 | 173.4 | -0 | 0 | 0 | 111.5 | R1081 R1254 Q1255 V1256 L1260 N1261 E1262 | R1081-Q1258 VanDerWaalsContact CZ-NE2 3.34Å; R1081-Q1258 VanDerWaalsContact NH1-CD 3.27Å; R1254-Q1258 WeakPolarHBondContact O-CA 3.5Å; R1254-Q1258 WeakPolarHBondContact O-CB 3.37Å; R1254-Q1258 PolarHBondContact O-N 3.04Å; Q1255-Q1258 PolarHBondContact O-N 2.99Å; V1256-Q1258 VanDerWaalsContact C-N 3.29Å; Q1258-L1260 VanDerWaalsContact C-N 3.26Å; Q1258-N1261 PolarHBondContact O-N 3.06Å; Q1258-E1262 WeakPolarHBondContact O-CB 3.04Å; Q1258-E1262 PolarHBondContact O-N 2.75Å | |
| 1259 | Q | 67.7 | Low | 64.6 | Low | 135 Ų | 135 | 85.1 Ų | 85.1 | 63% | 0.631 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -81.8 | -23.3 | 175.1 | -81.4 | -178.3 | -4.5 | 0 | 0 | 110.3 | Q1255 V1256 E1257 S1263 | Q1255-Q1259 VanDerWaalsContact O-CB 3.28Å; Q1255-Q1259 WeakPolarHBondContact O-CB 3.44Å; Q1255-Q1259 WeakPolarHBondContact O-CG 3.13Å; Q1255-Q1259 PolarHBondContact O-N 3.32Å; V1256-Q1259 CarbonylContact O-C 3.32Å; V1256-Q1259 PolarHBondContact O-N 3.48Å; E1257-Q1259 VanDerWaalsContact C-N 3.25Å; Q1259-S1263 WeakPolarHBondContact O-CB 3.04Å; Q1259-S1263 PolarHBondContact O-N 2.9Å |
| 1260 | L | 61.8 | Low | 64.6 | Low | 65 Ų | 65 | 82.4 Ų | 82.4 | 34% | 0.34 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -87.4 | -23.6 | 178.7 | -173.2 | 73.1 | 0 | 0 | 0 | 109.7 | V1256 E1257 Q1258 S1263 L1264 K1791 E1795 | V1256-L1260 VanDerWaalsContact O-CA 3.28Å; V1256-L1260 WeakPolarHBondContact O-CA 3.34Å; V1256-L1260 WeakPolarHBondContact O-CB 3.34Å; V1256-L1260 PolarHBondContact O-N 2.9Å; E1257-L1260 CarbonylContact O-C 3.19Å; E1257-L1260 WeakPolarHBondContact O-CA 3.22Å; E1257-L1260 PolarHBondContact O-N 2.81Å; E1257-L1260 VanDerWaalsContact O-N 3.1Å; Q1258-L1260 VanDerWaalsContact C-N 3.26Å; L1260-S1263 CarbonylContact O-C 3.57Å; L1260-S1263 VanDerWaalsContact O-C 3.23Å; L1260-S1263 WeakPolarHBondContact O-CA 3.06Å; L1260-S1263 PolarHBondContact O-N 3.08Å; L1260-S1263 VanDerWaalsContact O-N 3.12Å; L1260-L1264 HydrophobicContact CD2-CD1 4.15Å; L1260-L1264 HydrophobicContact CG-CD1 3.79Å; L1260-L1264 WeakPolarHBondContact O-CA 3.18Å; L1260-L1264 WeakPolarHBondContact O-CB 3.16Å; L1260-L1264 PolarHBondContact O-N 3.21Å; L1260-K1791 WeakPolarHBondContact O-CE 3.32Å; L1260-K1791 PolarHBondContact O-NZ 3.26Å; L1260-E1795 HydrophobicContact CD1-CG 4.34Å |
| 1261 | N | 64.1 | Low | 64.9 | Low | 63 Ų | 63 | 81.8 Ų | 81.8 | 34% | 0.337 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -82.1 | 0 | 177.2 | -112.1 | -2.2 | 0 | 0 | 0 | 109.8 | E1088 E1257 Q1258 S1263 L1264 V1265 K1791 | E1088-N1261 PolarHBondContact OE2-ND2 3.34Å; E1257-N1261 VanDerWaalsContact C-N 3.33Å; E1257-N1261 WeakPolarHBondContact O-CA 3.1Å; E1257-N1261 WeakPolarHBondContact O-CB 3.33Å; E1257-N1261 PolarHBondContact O-N 2.76Å; Q1258-N1261 PolarHBondContact O-N 3.06Å; N1261-S1263 PolarHBondContact O-N 3.49Å; N1261-L1264 CarbonylContact O-C 3.58Å; N1261-L1264 PolarHBondContact O-N 3.32Å; N1261-V1265 WeakPolarHBondContact O-CA 3.29Å; N1261-V1265 WeakPolarHBondContact O-CB 3.21Å; N1261-V1265 WeakPolarHBondContact O-CG2 3.31Å; N1261-V1265 PolarHBondContact O-N 2.5Å; N1261-K1791 WeakPolarHBondContact O-CE 3.25Å; N1261-K1791 CovalentContact O-NZ 1.78Å; N1261-K1791 PolarHBondContact O-NZ 3.06Å; N1261-K1791 PolarHBondContact OD1-NZ 2.85Å |
| 1262 | E | 68.3 | Low | 65.1 | Low | 96 Ų | 96 | 74.4 Ų | 74.4 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -98.6 | 175.4 | -177.8 | 0 | 0 | 111.2 | R1081 Q1258 K1266 | R1081-E1262 IonicContact CZ-OE1 2.73Å; R1081-E1262 IonicContact NH2-OE1 3.21Å; R1081-E1262 PolarHBondContact NH2-OE1 3.01Å; Q1258-E1262 WeakPolarHBondContact O-CB 3.04Å; Q1258-E1262 PolarHBondContact O-N 2.75Å; E1262-K1266 WeakPolarHBondContact O-CB 3.29Å; E1262-K1266 WeakPolarHBondContact O-CG 3.24Å; E1262-K1266 PolarHBondContact O-N 2.68Å | |
| 1263 | S | 63.3 | Low | 65.2 | Low | 12 Ų | 12 | 67.1 Ų | 67.1 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | H | α-helix | 0 | -21.1 | 0 | -159.9 | 0 | 0 | 0 | 0 | 110.7 | Q1259 L1260 N1261 K1266 M1267 K1791 K1794 | Q1259-S1263 WeakPolarHBondContact O-CB 3.04Å; Q1259-S1263 PolarHBondContact O-N 2.9Å; L1260-S1263 CarbonylContact O-C 3.57Å; L1260-S1263 VanDerWaalsContact O-C 3.23Å; L1260-S1263 WeakPolarHBondContact O-CA 3.06Å; L1260-S1263 PolarHBondContact O-N 3.08Å; L1260-S1263 VanDerWaalsContact O-N 3.12Å; N1261-S1263 PolarHBondContact O-N 3.49Å; S1263-K1266 CarbonylContact O-C 3.47Å; S1263-K1266 PolarHBondContact O-N 3.45Å; S1263-M1267 WeakPolarHBondContact O-CA 3.35Å; S1263-M1267 WeakPolarHBondContact O-CB 3.26Å; S1263-M1267 PolarHBondContact O-N 3.39Å; S1263-K1791 VanDerWaalsContact O-CA 3.26Å; S1263-K1791 WeakPolarHBondContact O-CA 3.07Å; S1263-K1791 WeakPolarHBondContact O-CB 3.48Å; S1263-K1791 WeakPolarHBondContact O-CD 3.49Å; S1263-K1791 WeakPolarHBondContact O-CE 3.06Å; S1263-K1791 WeakPolarHBondContact O-CG 3.37Å; S1263-K1794 WeakPolarHBondContact OG-CD 3.14Å | |
| 1264 | L | 64 | Low | 65.7 | Low | 41 Ų | 41 | 67.2 Ų | 67.2 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -86.6 | 0 | -179.9 | -119.9 | 133 | 0 | 0 | 0 | 108.6 | L1260 N1261 K1266 M1267 Q1268 K1791 E1795 | L1260-L1264 HydrophobicContact CD2-CD1 4.15Å; L1260-L1264 HydrophobicContact CG-CD1 3.79Å; L1260-L1264 WeakPolarHBondContact O-CA 3.18Å; L1260-L1264 WeakPolarHBondContact O-CB 3.16Å; L1260-L1264 PolarHBondContact O-N 3.21Å; N1261-L1264 CarbonylContact O-C 3.58Å; N1261-L1264 PolarHBondContact O-N 3.32Å; L1264-K1266 PolarHBondContact O-N 3.48Å; L1264-M1267 VanDerWaalsContact C-N 3.32Å; L1264-M1267 HydrophobicContact CD2-CE 4Å; L1264-M1267 HydrophobicContact CG-CE 3.88Å; L1264-M1267 CarbonylContact O-C 3.37Å; L1264-M1267 VanDerWaalsContact O-C 3.25Å; L1264-M1267 WeakPolarHBondContact O-CA 3.16Å; L1264-M1267 WeakPolarHBondContact O-CB 3.33Å; L1264-M1267 PolarHBondContact O-N 3.05Å; L1264-Q1268 WeakPolarHBondContact O-CA 3.39Å; L1264-Q1268 WeakPolarHBondContact O-CB 3.26Å; L1264-Q1268 WeakPolarHBondContact O-CG 3.15Å; L1264-Q1268 PolarHBondContact O-N 2.93Å; L1264-K1791 CovalentContact C-CD 0.66Å; L1264-K1791 CovalentContact CA-CD 1.05Å; L1264-K1791 CovalentContact CA-CE 1.41Å; L1264-K1791 CovalentContact CA-CG 1.37Å; L1264-K1791 HydrophobicContact CB-CB 3.82Å; L1264-K1791 CovalentContact CB-CD 1.88Å; L1264-K1791 HydrophobicContact CB-CD 1.88Å; L1264-K1791 HydrophobicContact CB-CG 2.81Å; L1264-K1791 HydrophobicContact CD1-CD 4.34Å; L1264-K1791 HydrophobicContact CD2-CB 4.35Å; L1264-K1791 HydrophobicContact CD2-CD 3.58Å; L1264-K1791 HydrophobicContact CD2-CG 4.19Å; L1264-K1791 HydrophobicContact CG-CB 4.12Å; L1264-K1791 HydrophobicContact CG-CD 3.02Å; L1264-K1791 HydrophobicContact CG-CG 3.47Å; L1264-K1791 VanDerWaalsContact CG-CG 3.47Å; L1264-K1791 CovalentContact N-CE 1.38Å; L1264-K1791 VanDerWaalsContact O-CA 3.23Å; L1264-K1791 WeakPolarHBondContact O-CA 3.33Å; L1264-K1791 WeakPolarHBondContact O-CB 3.42Å; L1264-K1791 WeakPolarHBondContact O-CD 3.31Å; L1264-K1791 WeakPolarHBondContact O-CE 3.41Å; L1264-K1791 WeakPolarHBondContact O-CG 3.47Å; L1264-E1795 WeakPolarHBondContact CD1-OE1 3.34Å |
| 1265 | V | 68.5 | Low | 66.1 | Low | 56 Ų | 56 | 62.2 Ų | 62.2 | 34% | 0.339 | 30% | 0.304 | S | S | . | . | H | α-helix | 0 | -30.1 | 0 | 169.9 | 0 | 0 | 0 | 0 | 109.2 | N1261 M1267 Q1268 E1269 V1787 K1791 | N1261-V1265 WeakPolarHBondContact O-CA 3.29Å; N1261-V1265 WeakPolarHBondContact O-CB 3.21Å; N1261-V1265 WeakPolarHBondContact O-CG2 3.31Å; N1261-V1265 PolarHBondContact O-N 2.5Å; V1265-M1267 PolarHBondContact O-N 3.46Å; V1265-Q1268 PolarHBondContact O-N 3.42Å; V1265-E1269 WeakPolarHBondContact O-CA 3.33Å; V1265-E1269 WeakPolarHBondContact O-CB 3.45Å; V1265-E1269 PolarHBondContact O-N 2.66Å; V1265-V1787 CarbonylContact C-O 3.47Å; V1265-V1787 HydrophobicContact CB-CG1 4.21Å; V1265-V1787 HydrophobicContact CG1-CG1 3.44Å; V1265-V1787 VanDerWaalsContact CG1-CG1 3.44Å; V1265-V1787 CarbonylContact O-C 3.54Å; V1265-V1787 WeakPolarHBondContact O-CA 3.35Å; V1265-V1787 WeakPolarHBondContact O-CB 3.37Å; V1265-V1787 CovalentContact O-CG1 1.7Å; V1265-V1787 WeakPolarHBondContact O-CG1 3.34Å; V1265-K1791 VanDerWaalsContact CA-CE 3.49Å; V1265-K1791 HydrophobicContact CB-CD 4.25Å | |
| 1266 | K | 69.8 | Low | 66.2 | Low | 121 Ų | 121 | 57 Ų | 57 | 53% | 0.526 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -77.7 | 0 | 175.4 | -92 | -176.1 | -178.5 | 178.1 | 0 | 111 | E1262 S1263 L1264 Q1268 E1269 T1270 V1787 E1790 K1791 | E1262-K1266 WeakPolarHBondContact O-CB 3.29Å; E1262-K1266 WeakPolarHBondContact O-CG 3.24Å; E1262-K1266 PolarHBondContact O-N 2.68Å; S1263-K1266 CarbonylContact O-C 3.47Å; S1263-K1266 PolarHBondContact O-N 3.45Å; L1264-K1266 PolarHBondContact O-N 3.48Å; K1266-Q1268 VanDerWaalsContact C-N 3.33Å; K1266-E1269 PolarHBondContact O-N 3.03Å; K1266-T1270 VanDerWaalsContact C-OG1 3.26Å; K1266-T1270 WeakPolarHBondContact O-CA 2.72Å; K1266-T1270 WeakPolarHBondContact O-CB 2.64Å; K1266-T1270 WeakPolarHBondContact O-CG2 2.69Å; K1266-T1270 PolarHBondContact O-N 3.01Å; K1266-T1270 PolarHBondContact O-OG1 3.33Å; K1266-V1787 CarbonylContact C-O 3.49Å; K1266-E1790 CarbonylContact O-C 3.42Å; K1266-E1790 VanDerWaalsContact O-C 3.24Å; K1266-E1790 WeakPolarHBondContact O-CB 3.31Å; K1266-K1791 PolarHBondContact O-N 3.18Å |
| 1267 | M | 64.1 | Low | 66.4 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | 0 | -24.4 | 0 | -164 | 179.9 | 62.8 | 0 | 0 | 109.4 | S1263 L1264 V1265 T1270 E1271 V1787 S1788 L1789 E1790 K1791 Q1792 V1793 K1794 E1795 | S1263-M1267 WeakPolarHBondContact O-CA 3.35Å; S1263-M1267 WeakPolarHBondContact O-CB 3.26Å; S1263-M1267 PolarHBondContact O-N 3.39Å; L1264-M1267 VanDerWaalsContact C-N 3.32Å; L1264-M1267 HydrophobicContact CD2-CE 4Å; L1264-M1267 HydrophobicContact CG-CE 3.88Å; L1264-M1267 CarbonylContact O-C 3.37Å; L1264-M1267 VanDerWaalsContact O-C 3.25Å; L1264-M1267 WeakPolarHBondContact O-CA 3.16Å; L1264-M1267 WeakPolarHBondContact O-CB 3.33Å; L1264-M1267 PolarHBondContact O-N 3.05Å; V1265-M1267 PolarHBondContact O-N 3.46Å; M1267-T1270 WeakPolarHBondContact CA-OG1 2.55Å; M1267-T1270 PolarHBondContact N-OG1 3.25Å; M1267-T1270 CarbonylContact O-C 3.44Å; M1267-T1270 PolarHBondContact O-N 3.48Å; M1267-T1270 PolarHBondContact O-OG1 3.13Å; M1267-E1271 WeakPolarHBondContact O-CA 3.09Å; M1267-E1271 WeakPolarHBondContact O-CB 2.8Å; M1267-E1271 PolarHBondContact O-N 3.4Å; M1267-V1787 CarbonylContact C-O 3.35Å; M1267-V1787 WeakPolarHBondContact CA-O 2.75Å; M1267-V1787 PolarHBondContact N-O 2.79Å; M1267-V1787 CarbonylContact O-C 3.56Å; M1267-S1788 CarbonylContact C-O 3.5Å; M1267-S1788 CarbonylContact O-C 3.5Å; M1267-L1789 CarbonylContact O-C 3.54Å; M1267-L1789 WeakPolarHBondContact O-CA 3.06Å; M1267-L1789 PolarHBondContact O-N 2.87Å; M1267-E1790 CarbonylContact C-O 3.4Å; M1267-E1790 WeakPolarHBondContact CA-O 3.38Å; M1267-E1790 WeakPolarHBondContact CB-O 3.38Å; M1267-E1790 WeakPolarHBondContact CG-O 3.47Å; M1267-E1790 CarbonylContact O-C 2.91Å; M1267-E1790 WeakPolarHBondContact O-CA 3.42Å; M1267-E1790 WeakPolarHBondContact O-CB 3.32Å; M1267-E1790 PolarHBondContact O-N 3.09Å; M1267-K1791 CovalentContact C-N 1.04Å; M1267-K1791 CovalentContact CA-CA 1.22Å; M1267-K1791 CovalentContact CA-N 1.01Å; M1267-K1791 CovalentContact CB-C 1.41Å; M1267-K1791 CovalentContact CB-CA 0.56Å; M1267-K1791 HydrophobicContact CB-CB 1.8Å; M1267-K1791 HydrophobicContact CB-CD 3.96Å; M1267-K1791 HydrophobicContact CB-CG 2.49Å; M1267-K1791 WeakPolarHBondContact CB-O 3.26Å; M1267-K1791 VanDerWaalsContact CE-CA 3.45Å; M1267-K1791 HydrophobicContact CE-CB 3.62Å; M1267-K1791 HydrophobicContact CE-CG 4.11Å; M1267-K1791 WeakPolarHBondContact CE-O 3.41Å; M1267-K1791 CovalentContact CG-C 0.92Å; M1267-K1791 CovalentContact CG-CA 1.73Å; M1267-K1791 HydrophobicContact CG-CB 3.1Å; M1267-K1791 HydrophobicContact CG-CG 3.95Å; M1267-K1791 WeakPolarHBondContact CG-O 3.26Å; M1267-K1791 CarbonylContact O-C 3.12Å; M1267-K1791 WeakPolarHBondContact O-CA 3.32Å; M1267-K1791 WeakPolarHBondContact O-CB 3.22Å; M1267-K1791 PolarHBondContact O-N 2.9Å; M1267-K1791 WeakPolarHBondContact SD-CA 3.31Å; M1267-K1791 HydrophobicContact SD-CB 4.02Å; M1267-K1791 HydrophobicContact SD-CG 4.48Å; M1267-K1791 CovalentContact SD-O 0.81Å; M1267-Q1792 VanDerWaalsContact CA-N 3.34Å; M1267-Q1792 HydrophobicContact CE-CB 3.64Å; M1267-Q1792 HydrophobicContact CE-CG 3.55Å; M1267-Q1792 HydrophobicContact CG-CB 3.92Å; M1267-Q1792 PolarHBondContact O-N 3.11Å; M1267-Q1792 VanDerWaalsContact O-N 3.14Å; M1267-Q1792 WeakPolarHBondContact SD-CA 2.41Å; M1267-Q1792 HydrophobicContact SD-CB 3.93Å; M1267-Q1792 HydrophobicContact SD-CG 4.5Å; M1267-Q1792 PolarHBondContact SD-N 3.3Å; M1267-V1793 PolarHBondContact SD-N 3.4Å; M1267-V1793 VanDerWaalsContact SD-N 3.41Å; M1267-K1794 HydrophobicContact CB-CB 4.03Å; M1267-K1794 HydrophobicContact CG-CB 3.85Å; M1267-K1794 HydrophobicContact SD-CB 4.23Å; M1267-K1794 PolarHBondContact SD-N 3.18Å; M1267-E1795 HydrophobicContact CE-CB 3.59Å; M1267-E1795 HydrophobicContact CE-CG 3.84Å; M1267-E1795 WeakPolarHBondContact CE-OE2 3.44Å; M1267-E1795 WeakPolarHBondContact SD-CA 3.48Å; M1267-E1795 HydrophobicContact SD-CB 3.03Å; M1267-E1795 WeakPolarHBondContact SD-CB 3.09Å; M1267-E1795 HydrophobicContact SD-CG 3.71Å; M1267-E1795 PolarHBondContact SD-N 2.88Å | |
| 1268 | Q | 67.2 | Low | 67 | Low | 53 Ų | 53 | 59.2 Ų | 59.2 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -83.1 | 0 | 175.5 | -89.3 | -175.7 | -15.7 | 0 | 0 | 110.8 | L1264 V1265 K1266 T1270 E1271 M1272 Q1785 R1786 V1787 S1788 L1789 K1791 | L1264-Q1268 WeakPolarHBondContact O-CA 3.39Å; L1264-Q1268 WeakPolarHBondContact O-CB 3.26Å; L1264-Q1268 WeakPolarHBondContact O-CG 3.15Å; L1264-Q1268 PolarHBondContact O-N 2.93Å; V1265-Q1268 PolarHBondContact O-N 3.42Å; K1266-Q1268 VanDerWaalsContact C-N 3.33Å; Q1268-T1270 PolarHBondContact O-N 2.8Å; Q1268-E1271 CarbonylContact O-C 3.59Å; Q1268-E1271 PolarHBondContact O-N 3.49Å; Q1268-M1272 WeakPolarHBondContact O-CA 3.27Å; Q1268-M1272 WeakPolarHBondContact O-CB 3.04Å; Q1268-M1272 WeakPolarHBondContact O-CG 3.31Å; Q1268-M1272 PolarHBondContact O-N 3.21Å; Q1268-Q1785 CarbonylContact O-C 3.51Å; Q1268-Q1785 VanDerWaalsContact O-O 3.05Å; Q1268-R1786 CarbonylContact C-O 3.56Å; Q1268-R1786 CarbonylContact O-C 3.59Å; Q1268-R1786 VanDerWaalsContact O-CA 3.24Å; Q1268-R1786 WeakPolarHBondContact O-CA 3.44Å; Q1268-V1787 CovalentContact C-C 0.51Å; Q1268-V1787 VanDerWaalsContact C-CG1 3.4Å; Q1268-V1787 CarbonylContact C-O 3.56Å; Q1268-V1787 CovalentContact CA-O 1.27Å; Q1268-V1787 WeakPolarHBondContact CA-O 3.17Å; Q1268-V1787 HydrophobicContact CB-CB 4.27Å; Q1268-V1787 HydrophobicContact CB-CG1 4.06Å; Q1268-V1787 WeakPolarHBondContact CB-O 3.45Å; Q1268-V1787 PolarHBondContact N-O 3.24Å; Q1268-V1787 CarbonylContact O-C 3.35Å; Q1268-V1787 WeakPolarHBondContact O-CA 2.88Å; Q1268-V1787 WeakPolarHBondContact O-CB 3.41Å; Q1268-V1787 PolarHBondContact O-N 3.37Å; Q1268-S1788 CovalentContact C-N 1.16Å; Q1268-S1788 WeakPolarHBondContact CA-O 3.26Å; Q1268-S1788 CovalentContact CB-CA 1.65Å; Q1268-S1788 VanDerWaalsContact CB-O 3.25Å; Q1268-S1788 WeakPolarHBondContact CB-O 3.28Å; Q1268-S1788 WeakPolarHBondContact CB-OG 2.96Å; Q1268-S1788 VanDerWaalsContact CG-N 3.32Å; Q1268-S1788 WeakPolarHBondContact CG-O 3.4Å; Q1268-S1788 WeakPolarHBondContact CG-OG 3.33Å; Q1268-S1788 VanDerWaalsContact N-N 3.11Å; Q1268-S1788 PolarHBondContact N-O 3.42Å; Q1268-S1788 PolarHBondContact NE2-OG 3.06Å; Q1268-S1788 CarbonylContact O-C 3.23Å; Q1268-S1788 WeakPolarHBondContact O-CA 3.07Å; Q1268-S1788 WeakPolarHBondContact O-CB 3.17Å; Q1268-S1788 CovalentContact O-N 1.2Å; Q1268-S1788 PolarHBondContact O-N 3.42Å; Q1268-L1789 PolarHBondContact O-N 3.13Å; Q1268-K1791 HydrophobicContact CB-CB 3.99Å; Q1268-K1791 HydrophobicContact CG-CB 4.07Å |
| 1269 | E | 69.1 | Low | 67.2 | Low | 80 Ų | 80 | 58.6 Ų | 58.6 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -100.9 | 179.3 | 178.3 | 0 | 0 | 109.8 | V1265 K1266 M1272 Q1273 R1786 V1787 S1788 | V1265-E1269 WeakPolarHBondContact O-CA 3.33Å; V1265-E1269 WeakPolarHBondContact O-CB 3.45Å; V1265-E1269 PolarHBondContact O-N 2.66Å; K1266-E1269 PolarHBondContact O-N 3.03Å; E1269-M1272 PolarHBondContact O-N 3.17Å; E1269-Q1273 WeakPolarHBondContact O-CA 3.28Å; E1269-Q1273 WeakPolarHBondContact O-CB 3.02Å; E1269-Q1273 WeakPolarHBondContact O-CG 3.09Å; E1269-Q1273 PolarHBondContact O-N 3.3Å; E1269-R1786 CarbonylContact C-O 3.55Å; E1269-R1786 WeakPolarHBondContact CA-O 3.49Å; E1269-R1786 PolarHBondContact N-O 3.33Å; E1269-R1786 CarbonylContact O-C 3.54Å; E1269-R1786 WeakPolarHBondContact O-CA 3.37Å; E1269-R1786 WeakPolarHBondContact O-CB 3.18Å; E1269-R1786 WeakPolarHBondContact O-CG 3.4Å; E1269-R1786 PolarHBondContact O-NE 2.65Å; E1269-V1787 CarbonylContact C-O 3.34Å; E1269-V1787 CovalentContact CA-CA 0.87Å; E1269-V1787 CovalentContact CA-CB 1.54Å; E1269-V1787 WeakPolarHBondContact CA-O 3.21Å; E1269-V1787 VanDerWaalsContact CB-C 3.47Å; E1269-V1787 HydrophobicContact CB-CB 1.79Å; E1269-V1787 HydrophobicContact CB-CG1 2.1Å; E1269-V1787 CovalentContact CB-CG2 1.51Å; E1269-V1787 HydrophobicContact CB-CG2 1.51Å; E1269-V1787 VanDerWaalsContact CB-N 3.27Å; E1269-V1787 HydrophobicContact CG-CB 1.74Å; E1269-V1787 HydrophobicContact CG-CG1 2.15Å; E1269-V1787 CovalentContact CG-CG2 0.97Å; E1269-V1787 HydrophobicContact CG-CG2 0.97Å; E1269-V1787 CovalentContact N-C 1.1Å; E1269-V1787 CovalentContact N-CA 1.11Å; E1269-V1787 PolarHBondContact N-O 3.42Å; E1269-V1787 WeakPolarHBondContact O-CA 3.44Å; E1269-V1787 WeakPolarHBondContact O-CG2 2.63Å; E1269-V1787 PolarHBondContact O-N 3.03Å; E1269-V1787 WeakPolarHBondContact OE1-CG2 2.87Å; E1269-V1787 WeakPolarHBondContact OE2-CG1 3.31Å; E1269-V1787 WeakPolarHBondContact OE2-CG2 2.61Å; E1269-S1788 VanDerWaalsContact CA-N 3.27Å | |
| 1270 | T | 63.2 | Low | 67.3 | Low | 32 Ų | 32 | 57.6 Ų | 57.6 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | H | α-helix | 0 | -25.2 | 0 | 39 | 0 | 0 | 0 | 0 | 111.6 | K1266 M1267 Q1268 Q1273 R1274 R1786 V1787 L1789 E1790 K1791 | K1266-T1270 VanDerWaalsContact C-OG1 3.26Å; K1266-T1270 WeakPolarHBondContact O-CA 2.72Å; K1266-T1270 WeakPolarHBondContact O-CB 2.64Å; K1266-T1270 WeakPolarHBondContact O-CG2 2.69Å; K1266-T1270 PolarHBondContact O-N 3.01Å; K1266-T1270 PolarHBondContact O-OG1 3.33Å; M1267-T1270 WeakPolarHBondContact CA-OG1 2.55Å; M1267-T1270 PolarHBondContact N-OG1 3.25Å; M1267-T1270 CarbonylContact O-C 3.44Å; M1267-T1270 PolarHBondContact O-N 3.48Å; M1267-T1270 PolarHBondContact O-OG1 3.13Å; Q1268-T1270 PolarHBondContact O-N 2.8Å; T1270-Q1273 CarbonylContact O-C 3.53Å; T1270-Q1273 PolarHBondContact O-N 3.15Å; T1270-R1274 WeakPolarHBondContact O-CA 2.62Å; T1270-R1274 WeakPolarHBondContact O-CB 3.35Å; T1270-R1274 PolarHBondContact O-N 2.62Å; T1270-R1786 CarbonylContact C-O 3.4Å; T1270-R1786 WeakPolarHBondContact CA-O 3.47Å; T1270-R1786 PolarHBondContact N-O 2.93Å; T1270-V1787 VanDerWaalsContact N-C 3.26Å; T1270-V1787 PolarHBondContact N-O 3.28Å; T1270-V1787 VanDerWaalsContact N-O 3.16Å; T1270-L1789 CarbonylContact C-O 3.51Å; T1270-L1789 CarbonylContact O-C 3.26Å; T1270-E1790 CovalentContact CA-CB 1.25Å; T1270-E1790 CovalentContact CA-CG 1.19Å; T1270-E1790 WeakPolarHBondContact CA-OE1 2.35Å; T1270-E1790 WeakPolarHBondContact CA-OE2 3.42Å; T1270-E1790 CovalentContact CB-CB 1.04Å; T1270-E1790 CovalentContact CB-CG 1.06Å; T1270-E1790 VanDerWaalsContact CB-O 3.29Å; T1270-E1790 WeakPolarHBondContact CB-O 3.3Å; T1270-E1790 WeakPolarHBondContact CB-OE1 2.44Å; T1270-E1790 WeakPolarHBondContact CB-OE2 3.39Å; T1270-E1790 VanDerWaalsContact CG2-CA 3.42Å; T1270-E1790 HydrophobicContact CG2-CB 2.24Å; T1270-E1790 CovalentContact CG2-CD 1.88Å; T1270-E1790 HydrophobicContact CG2-CG 1.9Å; T1270-E1790 WeakPolarHBondContact CG2-OE1 3.41Å; T1270-E1790 WeakPolarHBondContact CG2-OE2 2.72Å; T1270-E1790 PolarHBondContact N-OE2 2.93Å; T1270-E1790 VanDerWaalsContact O-CA 3.29Å; T1270-E1790 WeakPolarHBondContact O-CA 3.49Å; T1270-E1790 VanDerWaalsContact O-CB 3.27Å; T1270-E1790 WeakPolarHBondContact O-CB 3.32Å; T1270-E1790 WeakPolarHBondContact O-CG 3.45Å; T1270-E1790 PolarHBondContact O-N 3.18Å; T1270-E1790 CovalentContact OG1-CA 1.41Å; T1270-E1790 WeakPolarHBondContact OG1-CA 3.37Å; T1270-E1790 CovalentContact OG1-CB 1.28Å; T1270-E1790 WeakPolarHBondContact OG1-CB 3.13Å; T1270-E1790 WeakPolarHBondContact OG1-CG 2.48Å; T1270-E1790 PolarHBondContact OG1-N 2.91Å; T1270-E1790 PolarHBondContact OG1-O 2.44Å; T1270-K1791 PolarHBondContact OG1-N 3.23Å | |
| 1271 | E | 63.1 | Low | 67.8 | Low | 6 Ų | 6 | 59.1 Ų | 59.1 | 3% | 0.028 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -80.1 | 0 | 175.2 | -128.6 | 178.9 | 177.5 | 0 | 0 | 110.3 | M1267 Q1268 R1274 N1275 Q1785 R1786 S1788 L1789 E1790 Q1792 | M1267-E1271 WeakPolarHBondContact O-CA 3.09Å; M1267-E1271 WeakPolarHBondContact O-CB 2.8Å; M1267-E1271 PolarHBondContact O-N 3.4Å; Q1268-E1271 CarbonylContact O-C 3.59Å; Q1268-E1271 PolarHBondContact O-N 3.49Å; E1271-R1274 CarbonylContact O-C 3.02Å; E1271-R1274 PolarHBondContact O-N 3.2Å; E1271-R1274 VanDerWaalsContact O-N 3.12Å; E1271-N1275 WeakPolarHBondContact O-CA 3.06Å; E1271-N1275 VanDerWaalsContact O-CB 3.26Å; E1271-N1275 WeakPolarHBondContact O-CB 3.02Å; E1271-N1275 VanDerWaalsContact O-CG 3.28Å; E1271-N1275 PolarHBondContact O-N 3.21Å; E1271-Q1785 CarbonylContact C-O 3.43Å; E1271-R1786 CarbonylContact C-O 3.51Å; E1271-R1786 WeakPolarHBondContact CA-O 3.44Å; E1271-R1786 PolarHBondContact N-O 3.36Å; E1271-R1786 VanDerWaalsContact O-CA 3.31Å; E1271-R1786 WeakPolarHBondContact O-CA 2.53Å; E1271-S1788 WeakPolarHBondContact CB-O 3.38Å; E1271-L1789 CovalentContact CA-CA 1.59Å; E1271-L1789 CovalentContact CA-CB 1.39Å; E1271-L1789 WeakPolarHBondContact CA-O 3.24Å; E1271-L1789 CovalentContact CB-C 1.55Å; E1271-L1789 HydrophobicContact CB-CB 1.57Å; E1271-L1789 HydrophobicContact CB-CD1 3.88Å; E1271-L1789 HydrophobicContact CB-CD2 3.2Å; E1271-L1789 HydrophobicContact CB-CG 2.58Å; E1271-L1789 WeakPolarHBondContact CB-O 3.26Å; E1271-L1789 VanDerWaalsContact CD-CG 3.41Å; E1271-L1789 HydrophobicContact CG-CB 2.03Å; E1271-L1789 HydrophobicContact CG-CD1 3.95Å; E1271-L1789 HydrophobicContact CG-CD2 2.38Å; E1271-L1789 HydrophobicContact CG-CG 2.59Å; E1271-L1789 WeakPolarHBondContact CG-O 3.32Å; E1271-L1789 PolarHBondContact N-O 3.25Å; E1271-L1789 VanDerWaalsContact O-CA 3.29Å; E1271-L1789 WeakPolarHBondContact O-CA 3.07Å; E1271-L1789 WeakPolarHBondContact O-CB 2.73Å; E1271-L1789 CovalentContact O-CD1 1.86Å; E1271-L1789 WeakPolarHBondContact O-CD1 3.45Å; E1271-L1789 WeakPolarHBondContact O-CG 3.11Å; E1271-L1789 WeakPolarHBondContact OE1-CD2 3.3Å; E1271-L1789 WeakPolarHBondContact OE2-CA 3.11Å; E1271-L1789 PolarHBondContact OE2-N 3.47Å; E1271-L1789 VanDerWaalsContact OE2-N 3.09Å; E1271-E1790 VanDerWaalsContact C-N 3.34Å; E1271-E1790 CovalentContact N-N 1.1Å; E1271-Q1792 HydrophobicContact CB-CB 4.37Å; E1271-Q1792 HydrophobicContact CG-CB 3.53Å; E1271-Q1792 HydrophobicContact CG-CG 4.43Å; E1271-Q1792 WeakPolarHBondContact OE1-CB 3.33Å; E1271-Q1792 WeakPolarHBondContact OE1-CG 3.04Å; E1271-Q1792 CovalentContact OE1-OE1 1.37Å; E1271-Q1792 PolarHBondContact OE1-OE1 3.41Å; E1271-Q1792 WeakPolarHBondContact OE2-CB 3.3Å; E1271-Q1792 WeakPolarHBondContact OE2-CG 3.47Å; E1271-Q1792 PolarHBondContact OE2-NE2 2.93Å; E1271-Q1792 PolarHBondContact OE2-OE1 3.34Å |
| 1272 | M | 70.5 | Confident | 68.1 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | 0 | -37.4 | 0 | -94.6 | -152.7 | -54.4 | 0 | 0 | 111.8 | Q1268 E1269 R1274 N1275 D1276 R1781 S1782 E1783 C1784 Q1785 R1786 V1787 L1789 | Q1268-M1272 WeakPolarHBondContact O-CA 3.27Å; Q1268-M1272 WeakPolarHBondContact O-CB 3.04Å; Q1268-M1272 WeakPolarHBondContact O-CG 3.31Å; Q1268-M1272 PolarHBondContact O-N 3.21Å; E1269-M1272 PolarHBondContact O-N 3.17Å; M1272-R1274 VanDerWaalsContact C-N 3.29Å; M1272-N1275 PolarHBondContact O-N 2.86Å; M1272-D1276 WeakPolarHBondContact O-CB 3.2Å; M1272-D1276 PolarHBondContact O-N 2.78Å; M1272-R1781 VanDerWaalsContact SD-O 3.32Å; M1272-S1782 CarbonylContact C-O 3.06Å; M1272-S1782 WeakPolarHBondContact CB-O 3.39Å; M1272-S1782 VanDerWaalsContact CG-O 3.31Å; M1272-S1782 WeakPolarHBondContact CG-O 3.33Å; M1272-S1782 VanDerWaalsContact O-O 3.13Å; M1272-S1782 VanDerWaalsContact SD-C 3.56Å; M1272-E1783 WeakPolarHBondContact CB-O 3.28Å; M1272-E1783 HydrophobicContact CE-CB 4.26Å; M1272-E1783 CovalentContact CE-O 1.7Å; M1272-E1783 WeakPolarHBondContact CE-O 3.45Å; M1272-E1783 WeakPolarHBondContact CG-O 3.46Å; M1272-C1784 CovalentContact CE-C 1.44Å; M1272-C1784 CovalentContact CE-CA 1.27Å; M1272-C1784 HydrophobicContact CE-CB 2.81Å; M1272-C1784 CovalentContact CE-N 1.71Å; M1272-C1784 WeakPolarHBondContact CE-O 3.33Å; M1272-C1784 WeakPolarHBondContact CG-O 3.13Å; M1272-C1784 CovalentContact SD-C 1.22Å; M1272-C1784 WeakPolarHBondContact SD-CA 3.26Å; M1272-C1784 HydrophobicContact SD-CB 3.1Å; M1272-C1784 WeakPolarHBondContact SD-CB 3.4Å; M1272-C1784 PolarHBondContact SD-N 3.39Å; M1272-Q1785 CarbonylContact C-O 3.45Å; M1272-Q1785 WeakPolarHBondContact CA-O 3.45Å; M1272-Q1785 HydrophobicContact CB-CB 3.61Å; M1272-Q1785 WeakPolarHBondContact CB-O 3.27Å; M1272-Q1785 VanDerWaalsContact CE-CA 3.44Å; M1272-Q1785 CovalentContact CG-C 1.01Å; M1272-Q1785 CovalentContact CG-CA 1.17Å; M1272-Q1785 HydrophobicContact CG-CB 2.54Å; M1272-Q1785 HydrophobicContact CG-CG 3.71Å; M1272-Q1785 WeakPolarHBondContact CG-O 3.4Å; M1272-Q1785 PolarHBondContact N-O 3.41Å; M1272-Q1785 WeakPolarHBondContact SD-CA 3.4Å; M1272-Q1785 HydrophobicContact SD-CB 2.87Å; M1272-Q1785 WeakPolarHBondContact SD-CB 3.36Å; M1272-Q1785 HydrophobicContact SD-CG 3.72Å; M1272-Q1785 CovalentContact SD-N 0.42Å; M1272-Q1785 PolarHBondContact SD-N 3.33Å; M1272-R1786 CovalentContact C-CA 1.29Å; M1272-R1786 CovalentContact C-CB 1.4Å; M1272-R1786 CarbonylContact C-O 3.48Å; M1272-R1786 CovalentContact CA-CA 1.01Å; M1272-R1786 CovalentContact CA-N 1.23Å; M1272-R1786 WeakPolarHBondContact CA-O 3.41Å; M1272-R1786 HydrophobicContact CB-CB 2.57Å; M1272-R1786 HydrophobicContact CB-CG 3.94Å; M1272-R1786 CovalentContact CB-N 0.62Å; M1272-R1786 WeakPolarHBondContact CB-O 3.13Å; M1272-R1786 VanDerWaalsContact CG-C 3.46Å; M1272-R1786 HydrophobicContact CG-CB 4.08Å; M1272-R1786 CovalentContact N-C 1.67Å; M1272-R1786 PolarHBondContact N-O 3.34Å; M1272-R1786 WeakPolarHBondContact O-CA 3.46Å; M1272-R1786 WeakPolarHBondContact O-CB 2.48Å; M1272-R1786 WeakPolarHBondContact O-CG 3.47Å; M1272-R1786 PolarHBondContact O-N 3.19Å; M1272-R1786 PolarHBondContact SD-N 2.75Å; M1272-V1787 HydrophobicContact CE-CB 3.84Å; M1272-V1787 HydrophobicContact CE-CG2 4.14Å; M1272-L1789 VanDerWaalsContact N-CA 3.27Å | |
| 1273 | Q | 70 | Confident | 68.2 | Low | 41 Ų | 41 | 61.2 Ų | 61.2 | 19% | 0.192 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.1 | 0 | 172.3 | -81.9 | -179.9 | -8.3 | 0 | 0 | 111.4 | E1269 T1270 L1277 E1783 R1786 E1790 | E1269-Q1273 WeakPolarHBondContact O-CA 3.28Å; E1269-Q1273 WeakPolarHBondContact O-CB 3.02Å; E1269-Q1273 WeakPolarHBondContact O-CG 3.09Å; E1269-Q1273 PolarHBondContact O-N 3.3Å; T1270-Q1273 CarbonylContact O-C 3.53Å; T1270-Q1273 PolarHBondContact O-N 3.15Å; Q1273-L1277 WeakPolarHBondContact O-CA 3.38Å; Q1273-L1277 WeakPolarHBondContact O-CB 3.48Å; Q1273-L1277 WeakPolarHBondContact O-CG 3.31Å; Q1273-L1277 PolarHBondContact O-N 3.42Å; Q1273-E1783 HydrophobicContact CG-CG 4.3Å; Q1273-R1786 CovalentContact CA-CD 1.35Å; Q1273-R1786 CovalentContact CA-CG 0.78Å; Q1273-R1786 HydrophobicContact CB-CB 2.95Å; Q1273-R1786 CovalentContact CB-CD 1.2Å; Q1273-R1786 CovalentContact CB-CG 1.57Å; Q1273-R1786 HydrophobicContact CB-CG 1.57Å; Q1273-R1786 CovalentContact CD-CZ 0.49Å; Q1273-R1786 CovalentContact CD-NH1 1.15Å; Q1273-R1786 HydrophobicContact CG-CB 3.15Å; Q1273-R1786 CovalentContact CG-CD 1.44Å; Q1273-R1786 HydrophobicContact CG-CG 2.42Å; Q1273-R1786 CovalentContact CG-CZ 1.09Å; Q1273-R1786 CovalentContact CG-NE 0.48Å; Q1273-R1786 CovalentContact N-CB 1.1Å; Q1273-R1786 CovalentContact N-CG 0.95Å; Q1273-R1786 PolarHBondContact N-O 3.02Å; Q1273-R1786 CovalentContact NE2-NH2 0.9Å; Q1273-R1786 WeakPolarHBondContact O-CD 3.2Å; Q1273-R1786 WeakPolarHBondContact O-CG 3.4Å; Q1273-R1786 CovalentContact OE1-NH1 0.63Å; Q1273-E1790 HydrophobicContact CB-CG 4.44Å; Q1273-E1790 PolarHBondContact OE1-OE1 3.04Å; Q1273-E1790 PolarHBondContact OE1-OE2 3.17Å |
| 1274 | R | 67.8 | Low | 68.4 | Low | 109 Ų | 109 | 62.3 Ų | 62.3 | 41% | 0.411 | 31% | 0.309 | S | S | . | . | H | α-helix | 0 | -28.3 | 0 | -167.5 | -173.1 | 63.7 | 116.5 | -2.3 | 109.8 | T1270 E1271 M1272 L1277 E1278 L1789 V1793 | T1270-R1274 WeakPolarHBondContact O-CA 2.62Å; T1270-R1274 WeakPolarHBondContact O-CB 3.35Å; T1270-R1274 PolarHBondContact O-N 2.62Å; E1271-R1274 CarbonylContact O-C 3.02Å; E1271-R1274 PolarHBondContact O-N 3.2Å; E1271-R1274 VanDerWaalsContact O-N 3.12Å; M1272-R1274 VanDerWaalsContact C-N 3.29Å; R1274-L1277 CarbonylContact O-C 3.21Å; R1274-L1277 PolarHBondContact O-N 3.35Å; R1274-E1278 WeakPolarHBondContact O-CA 3.39Å; R1274-E1278 WeakPolarHBondContact O-CB 3.38Å; R1274-E1278 PolarHBondContact O-N 3.29Å; R1274-L1789 HydrophobicContact CB-CB 3.99Å; R1274-V1793 VanDerWaalsContact CD-CG2 3.49Å | |
| 1275 | N | 68.7 | Low | 68.7 | Low | 54 Ų | 54 | 64.2 Ų | 64.2 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -81.7 | -36.6 | 177.9 | -80.5 | -17.7 | 0 | 0 | 0 | 109.9 | E1271 M1272 L1277 E1278 S1279 L1789 | E1271-N1275 WeakPolarHBondContact O-CA 3.06Å; E1271-N1275 VanDerWaalsContact O-CB 3.26Å; E1271-N1275 WeakPolarHBondContact O-CB 3.02Å; E1271-N1275 VanDerWaalsContact O-CG 3.28Å; E1271-N1275 PolarHBondContact O-N 3.21Å; M1272-N1275 PolarHBondContact O-N 2.86Å; N1275-L1277 PolarHBondContact O-N 2.7Å; N1275-E1278 CarbonylContact O-C 1.68Å; N1275-E1278 PolarHBondContact O-N 2.5Å; N1275-S1279 WeakPolarHBondContact O-CA 3.42Å; N1275-S1279 WeakPolarHBondContact O-CB 3.43Å; N1275-S1279 PolarHBondContact O-N 2.9Å; N1275-L1789 HydrophobicContact CB-CD1 2.38Å; N1275-L1789 HydrophobicContact CB-CG 3.86Å; N1275-L1789 CovalentContact CG-CD1 1.66Å; N1275-L1789 VanDerWaalsContact CG-CD2 3.46Å; N1275-L1789 WeakPolarHBondContact ND2-CD1 3.24Å; N1275-L1789 WeakPolarHBondContact ND2-CD2 2.29Å; N1275-L1789 WeakPolarHBondContact ND2-CG 3.45Å; N1275-L1789 WeakPolarHBondContact OD1-CD1 3.11Å; N1275-L1789 WeakPolarHBondContact OD1-CD2 3.3Å; N1275-L1789 VanDerWaalsContact OD1-CG 3.32Å; N1275-L1789 WeakPolarHBondContact OD1-CG 3.3Å |
| 1276 | D | 70.7 | Confident | 68.7 | Low | 16 Ų | 16 | 65.9 Ų | 65.9 | 9% | 0.086 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.8 | 0 | 172 | -145.9 | 28.7 | 0 | 0 | 0 | 111.3 | M1272 S1279 R1280 F1779 S1782 | M1272-D1276 WeakPolarHBondContact O-CB 3.2Å; M1272-D1276 PolarHBondContact O-N 2.78Å; D1276-S1279 PolarHBondContact O-N 3.37Å; D1276-R1280 WeakPolarHBondContact O-CA 3.47Å; D1276-R1280 WeakPolarHBondContact O-CB 3.47Å; D1276-R1280 WeakPolarHBondContact O-CG 3.49Å; D1276-R1280 PolarHBondContact O-N 3.4Å; D1276-R1280 IonicContact OD2-CZ 2.13Å; D1276-R1280 IonicContact OD2-NE 2.48Å; D1276-R1280 IonicContact OD2-NH2 3.25Å; D1276-R1280 PolarHBondContact OD2-NH2 3.28Å; D1276-F1779 WeakPolarHBondContact OD2-CD2 3.48Å; D1276-S1782 WeakPolarHBondContact OD1-CB 3.26Å; D1276-S1782 PolarHBondContact OD1-OG 2.89Å |
| 1277 | L | 69.1 | Low | 68.4 | Low | 110 Ų | 110 | 66 Ų | 66 | 58% | 0.576 | 33% | 0.328 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -84.7 | 165.9 | 0 | 0 | 0 | 110.1 | Q1273 R1274 N1275 S1279 R1280 L1281 | Q1273-L1277 WeakPolarHBondContact O-CA 3.38Å; Q1273-L1277 WeakPolarHBondContact O-CB 3.48Å; Q1273-L1277 WeakPolarHBondContact O-CG 3.31Å; Q1273-L1277 PolarHBondContact O-N 3.42Å; R1274-L1277 CarbonylContact O-C 3.21Å; R1274-L1277 PolarHBondContact O-N 3.35Å; N1275-L1277 PolarHBondContact O-N 2.7Å; L1277-S1279 VanDerWaalsContact C-N 3.34Å; L1277-R1280 CarbonylContact O-C 2.53Å; L1277-R1280 PolarHBondContact O-N 2.96Å; L1277-L1281 VanDerWaalsContact C-N 3.33Å; L1277-L1281 WeakPolarHBondContact O-CA 3.31Å; L1277-L1281 WeakPolarHBondContact O-CB 3.17Å; L1277-L1281 PolarHBondContact O-N 3.45Å | |
| 1278 | E | 70.1 | Confident | 68.7 | Low | 90 Ų | 90 | 69.9 Ų | 69.9 | 42% | 0.421 | 35% | 0.348 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -153.2 | 172.6 | -177.4 | 0 | 0 | 109.7 | R1274 N1275 L1281 T1282 | R1274-E1278 WeakPolarHBondContact O-CA 3.39Å; R1274-E1278 WeakPolarHBondContact O-CB 3.38Å; R1274-E1278 PolarHBondContact O-N 3.29Å; N1275-E1278 CarbonylContact O-C 1.68Å; N1275-E1278 PolarHBondContact O-N 2.5Å; E1278-L1281 CarbonylContact O-C 3.59Å; E1278-L1281 PolarHBondContact O-N 2.83Å; E1278-T1282 WeakPolarHBondContact O-CA 3.3Å; E1278-T1282 WeakPolarHBondContact O-CB 3.48Å; E1278-T1282 PolarHBondContact O-N 2.9Å; E1278-T1282 PolarHBondContact O-OG1 3.07Å | |
| 1279 | S | 69.6 | Low | 68.6 | Low | 51 Ų | 51 | 69.8 Ų | 69.8 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 143.6 | 0 | 0 | 0 | 0 | 109.7 | N1275 D1276 L1277 L1281 T1282 K1283 | N1275-S1279 WeakPolarHBondContact O-CA 3.42Å; N1275-S1279 WeakPolarHBondContact O-CB 3.43Å; N1275-S1279 PolarHBondContact O-N 2.9Å; D1276-S1279 PolarHBondContact O-N 3.37Å; L1277-S1279 VanDerWaalsContact C-N 3.34Å; S1279-L1281 VanDerWaalsContact C-N 3.25Å; S1279-T1282 WeakPolarHBondContact CA-OG1 1.59Å; S1279-T1282 PolarHBondContact N-OG1 2.83Å; S1279-T1282 CarbonylContact O-C 3.49Å; S1279-T1282 PolarHBondContact O-N 2.76Å; S1279-T1282 PolarHBondContact O-OG1 2.84Å; S1279-K1283 VanDerWaalsContact O-CA 3.28Å; S1279-K1283 WeakPolarHBondContact O-CA 3.26Å; S1279-K1283 WeakPolarHBondContact O-CB 2.55Å; S1279-K1283 PolarHBondContact O-N 3.18Å | |
| 1280 | R | 70.6 | Confident | 68.6 | Low | 113 Ų | 113 | 67.4 Ų | 67.4 | 43% | 0.426 | 35% | 0.345 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -76.8 | -175.7 | -160.7 | 179.1 | 0.5 | 111.5 | D1276 L1277 T1282 K1283 A1284 E1775 | D1276-R1280 WeakPolarHBondContact O-CA 3.47Å; D1276-R1280 WeakPolarHBondContact O-CB 3.47Å; D1276-R1280 WeakPolarHBondContact O-CG 3.49Å; D1276-R1280 PolarHBondContact O-N 3.4Å; D1276-R1280 IonicContact OD2-CZ 2.13Å; D1276-R1280 IonicContact OD2-NE 2.48Å; D1276-R1280 IonicContact OD2-NH2 3.25Å; D1276-R1280 PolarHBondContact OD2-NH2 3.28Å; L1277-R1280 CarbonylContact O-C 2.53Å; L1277-R1280 PolarHBondContact O-N 2.96Å; R1280-T1282 VanDerWaalsContact C-N 3.32Å; R1280-K1283 CarbonylContact O-C 3.54Å; R1280-K1283 PolarHBondContact O-N 3.22Å; R1280-A1284 WeakPolarHBondContact O-CA 2.09Å; R1280-A1284 WeakPolarHBondContact O-CB 2.78Å; R1280-A1284 PolarHBondContact O-N 2.77Å; R1280-E1775 IonicContact NH2-OE2 3.11Å | |
| 1281 | L | 71.8 | Confident | 68.6 | Low | 97 Ų | 97 | 70.9 Ų | 70.9 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | H | α-helix | 0 | -29.5 | 0 | -172.3 | 79.5 | 0 | 0 | 0 | 109.7 | L1277 E1278 S1279 A1284 L1285 | L1277-L1281 VanDerWaalsContact C-N 3.33Å; L1277-L1281 WeakPolarHBondContact O-CA 3.31Å; L1277-L1281 WeakPolarHBondContact O-CB 3.17Å; L1277-L1281 PolarHBondContact O-N 3.45Å; E1278-L1281 CarbonylContact O-C 3.59Å; E1278-L1281 PolarHBondContact O-N 2.83Å; S1279-L1281 VanDerWaalsContact C-N 3.25Å; L1281-A1284 CarbonylContact O-C 1.58Å; L1281-A1284 VanDerWaalsContact O-C 3.31Å; L1281-A1284 PolarHBondContact O-N 3.36Å; L1281-L1285 VanDerWaalsContact C-N 3.28Å; L1281-L1285 HydrophobicContact CB-CD1 4.35Å; L1281-L1285 HydrophobicContact CD1-CD1 4.27Å; L1281-L1285 HydrophobicContact CD1-CG 4.23Å; L1281-L1285 HydrophobicContact CD2-CD1 3.58Å; L1281-L1285 HydrophobicContact CD2-CG 4.47Å; L1281-L1285 HydrophobicContact CG-CD1 3.33Å; L1281-L1285 HydrophobicContact CG-CG 3.69Å; L1281-L1285 WeakPolarHBondContact O-CA 3.42Å; L1281-L1285 WeakPolarHBondContact O-CB 3.4Å; L1281-L1285 WeakPolarHBondContact O-CD1 3.02Å; L1281-L1285 WeakPolarHBondContact O-CG 3.43Å; L1281-L1285 PolarHBondContact O-N 2.54Å | |
| 1282 | T | 70.1 | Confident | 68.8 | Low | 65 Ų | 65 | 73.9 Ų | 73.9 | 40% | 0.399 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -79 | 0 | 177.4 | -1.1 | 0 | 0 | 0 | 0 | 109.1 | E1278 S1279 R1280 A1284 L1285 N1286 | E1278-T1282 WeakPolarHBondContact O-CA 3.3Å; E1278-T1282 WeakPolarHBondContact O-CB 3.48Å; E1278-T1282 PolarHBondContact O-N 2.9Å; E1278-T1282 PolarHBondContact O-OG1 3.07Å; S1279-T1282 WeakPolarHBondContact CA-OG1 1.59Å; S1279-T1282 PolarHBondContact N-OG1 2.83Å; S1279-T1282 CarbonylContact O-C 3.49Å; S1279-T1282 PolarHBondContact O-N 2.76Å; S1279-T1282 PolarHBondContact O-OG1 2.84Å; R1280-T1282 VanDerWaalsContact C-N 3.32Å; T1282-A1284 VanDerWaalsContact C-N 3.35Å; T1282-L1285 CarbonylContact O-C 3.46Å; T1282-L1285 PolarHBondContact O-N 3.24Å; T1282-N1286 WeakPolarHBondContact O-CA 3.28Å; T1282-N1286 WeakPolarHBondContact O-CB 2.65Å; T1282-N1286 PolarHBondContact O-N 3.41Å; T1282-N1286 PolarHBondContact O-ND2 3.35Å |
| 1283 | K | 70.1 | Confident | 68.5 | Low | 139 Ų | 139 | 74.2 Ų | 74.2 | 60% | 0.604 | 38% | 0.38 | S | S | * | . | H | α-helix | 0 | -37 | 0 | -97.1 | -178.2 | -177 | 177.7 | 0 | 111.7 | S1279 R1280 L1285 N1286 E1287 | S1279-K1283 VanDerWaalsContact O-CA 3.28Å; S1279-K1283 WeakPolarHBondContact O-CA 3.26Å; S1279-K1283 WeakPolarHBondContact O-CB 2.55Å; S1279-K1283 PolarHBondContact O-N 3.18Å; R1280-K1283 CarbonylContact O-C 3.54Å; R1280-K1283 PolarHBondContact O-N 3.22Å; K1283-L1285 VanDerWaalsContact C-N 3.33Å; K1283-N1286 CarbonylContact O-C 3.42Å; K1283-N1286 PolarHBondContact O-N 2.31Å; K1283-E1287 WeakPolarHBondContact O-CA 3.23Å; K1283-E1287 WeakPolarHBondContact O-CB 2.93Å; K1283-E1287 WeakPolarHBondContact O-CG 3.18Å; K1283-E1287 PolarHBondContact O-N 2.9Å | |
| 1284 | A | 68.4 | Low | 67.9 | Low | 35 Ų | 35 | 73.8 Ų | 73.8 | 29% | 0.289 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -73.5 | 0 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | R1280 L1281 T1282 E1287 I1288 | R1280-A1284 WeakPolarHBondContact O-CA 2.09Å; R1280-A1284 WeakPolarHBondContact O-CB 2.78Å; R1280-A1284 PolarHBondContact O-N 2.77Å; L1281-A1284 CarbonylContact O-C 1.58Å; L1281-A1284 VanDerWaalsContact O-C 3.31Å; L1281-A1284 PolarHBondContact O-N 3.36Å; T1282-A1284 VanDerWaalsContact C-N 3.35Å; A1284-E1287 CarbonylContact O-C 3.5Å; A1284-E1287 VanDerWaalsContact O-C 3.28Å; A1284-E1287 PolarHBondContact O-N 3.46Å; A1284-I1288 VanDerWaalsContact C-N 3.3Å; A1284-I1288 WeakPolarHBondContact O-CA 3.47Å; A1284-I1288 WeakPolarHBondContact O-CB 3.19Å; A1284-I1288 WeakPolarHBondContact O-CD1 2.17Å; A1284-I1288 WeakPolarHBondContact O-CG1 3.43Å; A1284-I1288 PolarHBondContact O-N 2.89Å |
| 1285 | L | 69.6 | Low | 67.6 | Low | 81 Ų | 81 | 72.4 Ų | 72.4 | 42% | 0.424 | 38% | 0.382 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -82.8 | 169.6 | 0 | 0 | 0 | 109.2 | L1281 T1282 K1283 I1288 E1289 | L1281-L1285 VanDerWaalsContact C-N 3.28Å; L1281-L1285 HydrophobicContact CB-CD1 4.35Å; L1281-L1285 HydrophobicContact CD1-CD1 4.27Å; L1281-L1285 HydrophobicContact CD1-CG 4.23Å; L1281-L1285 HydrophobicContact CD2-CD1 3.58Å; L1281-L1285 HydrophobicContact CD2-CG 4.47Å; L1281-L1285 HydrophobicContact CG-CD1 3.33Å; L1281-L1285 HydrophobicContact CG-CG 3.69Å; L1281-L1285 WeakPolarHBondContact O-CA 3.42Å; L1281-L1285 WeakPolarHBondContact O-CB 3.4Å; L1281-L1285 WeakPolarHBondContact O-CD1 3.02Å; L1281-L1285 WeakPolarHBondContact O-CG 3.43Å; L1281-L1285 PolarHBondContact O-N 2.54Å; T1282-L1285 CarbonylContact O-C 3.46Å; T1282-L1285 PolarHBondContact O-N 3.24Å; K1283-L1285 VanDerWaalsContact C-N 3.33Å; L1285-I1288 CarbonylContact O-C 3.36Å; L1285-I1288 VanDerWaalsContact O-C 3.24Å; L1285-I1288 PolarHBondContact O-N 2.59Å; L1285-I1288 VanDerWaalsContact O-N 3.16Å; L1285-E1289 WeakPolarHBondContact O-CA 1.95Å; L1285-E1289 WeakPolarHBondContact O-CB 3.32Å; L1285-E1289 PolarHBondContact O-N 2.53Å | |
| 1286 | N | 68.6 | Low | 67.5 | Low | 90 Ų | 90 | 72.1 Ų | 72.1 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -81.1 | -18.1 | 0 | 0 | 0 | 110.1 | T1282 K1283 I1288 E1289 G1290 | T1282-N1286 WeakPolarHBondContact O-CA 3.28Å; T1282-N1286 WeakPolarHBondContact O-CB 2.65Å; T1282-N1286 PolarHBondContact O-N 3.41Å; T1282-N1286 PolarHBondContact O-ND2 3.35Å; K1283-N1286 CarbonylContact O-C 3.42Å; K1283-N1286 PolarHBondContact O-N 2.31Å; N1286-I1288 VanDerWaalsContact C-N 3.25Å; N1286-E1289 CarbonylContact O-C 3.31Å; N1286-E1289 PolarHBondContact O-N 2.85Å; N1286-G1290 WeakPolarHBondContact O-CA 2.87Å; N1286-G1290 PolarHBondContact O-N 3.47Å | |
| 1287 | E | 64.8 | Low | 67.1 | Low | 125 Ų | 125 | 75.6 Ų | 75.6 | 58% | 0.584 | 40% | 0.395 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -86.6 | 178 | -177.4 | 0 | 0 | 111.5 | K1283 A1284 G1290 L1291 | K1283-E1287 WeakPolarHBondContact O-CA 3.23Å; K1283-E1287 WeakPolarHBondContact O-CB 2.93Å; K1283-E1287 WeakPolarHBondContact O-CG 3.18Å; K1283-E1287 PolarHBondContact O-N 2.9Å; A1284-E1287 CarbonylContact O-C 3.5Å; A1284-E1287 VanDerWaalsContact O-C 3.28Å; A1284-E1287 PolarHBondContact O-N 3.46Å; E1287-G1290 CarbonylContact O-C 3.36Å; E1287-L1291 VanDerWaalsContact C-N 3.32Å; E1287-L1291 WeakPolarHBondContact O-CA 2.24Å; E1287-L1291 WeakPolarHBondContact O-CB 2.68Å; E1287-L1291 VanDerWaalsContact O-CD1 3.31Å; E1287-L1291 WeakPolarHBondContact O-CD1 1.62Å; E1287-L1291 WeakPolarHBondContact O-CG 2.53Å; E1287-L1291 PolarHBondContact O-N 3.34Å | |
| 1288 | I | 69.5 | Low | 66.7 | Low | 81 Ų | 81 | 74.3 Ų | 74.3 | 42% | 0.415 | 39% | 0.387 | S | S | . | . | H | α-helix | 0 | -28.9 | 0 | -74.1 | 176.8 | 0 | 0 | 0 | 108.5 | A1284 L1285 N1286 L1291 N1292 | A1284-I1288 VanDerWaalsContact C-N 3.3Å; A1284-I1288 WeakPolarHBondContact O-CA 3.47Å; A1284-I1288 WeakPolarHBondContact O-CB 3.19Å; A1284-I1288 WeakPolarHBondContact O-CD1 2.17Å; A1284-I1288 WeakPolarHBondContact O-CG1 3.43Å; A1284-I1288 PolarHBondContact O-N 2.89Å; L1285-I1288 CarbonylContact O-C 3.36Å; L1285-I1288 VanDerWaalsContact O-C 3.24Å; L1285-I1288 PolarHBondContact O-N 2.59Å; L1285-I1288 VanDerWaalsContact O-N 3.16Å; N1286-I1288 VanDerWaalsContact C-N 3.25Å; I1288-L1291 CarbonylContact O-C 3.08Å; I1288-L1291 VanDerWaalsContact O-C 3.24Å; I1288-L1291 PolarHBondContact O-N 2.95Å; I1288-N1292 VanDerWaalsContact C-N 3.26Å; I1288-N1292 WeakPolarHBondContact O-CA 3.11Å; I1288-N1292 WeakPolarHBondContact O-CB 3.5Å; I1288-N1292 VanDerWaalsContact O-CG 3.31Å; I1288-N1292 PolarHBondContact O-N 3.07Å | |
| 1289 | E | 65.3 | Low | 66.4 | Low | 50 Ų | 50 | 74.3 Ų | 74.3 | 23% | 0.234 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -81.3 | 0 | 175.5 | -130.6 | 178.3 | 179.7 | 0 | 0 | 109.7 | L1285 N1286 L1291 N1292 N1293 F1843 | L1285-E1289 WeakPolarHBondContact O-CA 1.95Å; L1285-E1289 WeakPolarHBondContact O-CB 3.32Å; L1285-E1289 PolarHBondContact O-N 2.53Å; N1286-E1289 CarbonylContact O-C 3.31Å; N1286-E1289 PolarHBondContact O-N 2.85Å; E1289-L1291 VanDerWaalsContact C-N 3.32Å; E1289-N1292 CarbonylContact O-C 2.82Å; E1289-N1292 PolarHBondContact O-N 3.16Å; E1289-N1292 VanDerWaalsContact O-N 3.16Å; E1289-N1293 VanDerWaalsContact O-CA 3.26Å; E1289-N1293 WeakPolarHBondContact O-CA 1.57Å; E1289-N1293 WeakPolarHBondContact O-CB 2.26Å; E1289-N1293 VanDerWaalsContact O-CG 3.24Å; E1289-N1293 PolarHBondContact O-N 3.37Å; E1289-F1843 HydrophobicContact CB-CE1 3.7Å; E1289-F1843 HydrophobicContact CB-CE2 4.01Å; E1289-F1843 HydrophobicContact CB-CZ 3.31Å; E1289-F1843 VanDerWaalsContact CD-CD1 3.42Å; E1289-F1843 HydrophobicContact CG-CD1 3.79Å; E1289-F1843 HydrophobicContact CG-CD2 4.14Å; E1289-F1843 HydrophobicContact CG-CE1 3.24Å; E1289-F1843 HydrophobicContact CG-CE2 3.67Å; E1289-F1843 HydrophobicContact CG-CG 4.19Å; E1289-F1843 HydrophobicContact CG-CZ 3.2Å; E1289-F1843 VanDerWaalsContact OE1-CD1 3.25Å; E1289-F1843 WeakPolarHBondContact OE1-CD1 2.78Å; E1289-F1843 WeakPolarHBondContact OE1-CD2 2.2Å; E1289-F1843 WeakPolarHBondContact OE1-CE1 3.02Å; E1289-F1843 WeakPolarHBondContact OE1-CE2 1.79Å; E1289-F1843 WeakPolarHBondContact OE1-CG 2.51Å; E1289-F1843 WeakPolarHBondContact OE1-CZ 2.36Å; E1289-F1843 WeakPolarHBondContact OE2-CD2 3.15Å; E1289-F1843 WeakPolarHBondContact OE2-CE1 3.3Å; E1289-F1843 WeakPolarHBondContact OE2-CE2 3.18Å; E1289-F1843 WeakPolarHBondContact OE2-CZ 3.5Å |
| 1290 | G | 68.1 | Low | 66 | Low | 31 Ų | 31 | 75.7 Ų | 75.7 | 32% | 0.32 | 39% | 0.394 | S | S | . | . | H | α-helix | 0 | -38.2 | 0 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1286 E1287 N1293 A1294 | N1286-G1290 WeakPolarHBondContact O-CA 2.87Å; N1286-G1290 PolarHBondContact O-N 3.47Å; E1287-G1290 CarbonylContact O-C 3.36Å; G1290-N1293 CarbonylContact O-C 3.54Å; G1290-N1293 PolarHBondContact O-N 2.9Å; G1290-A1294 WeakPolarHBondContact O-CA 2.02Å; G1290-A1294 WeakPolarHBondContact O-CB 2.39Å; G1290-A1294 PolarHBondContact O-N 2.98Å | |
| 1291 | L | 63.2 | Low | 65.4 | Low | 105 Ų | 105 | 76.2 Ų | 76.2 | 55% | 0.55 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -74 | 0 | 174.5 | -81.9 | 168.4 | 0 | 0 | 0 | 110.8 | E1287 I1288 E1289 A1294 M1295 | E1287-L1291 VanDerWaalsContact C-N 3.32Å; E1287-L1291 WeakPolarHBondContact O-CA 2.24Å; E1287-L1291 WeakPolarHBondContact O-CB 2.68Å; E1287-L1291 VanDerWaalsContact O-CD1 3.31Å; E1287-L1291 WeakPolarHBondContact O-CD1 1.62Å; E1287-L1291 WeakPolarHBondContact O-CG 2.53Å; E1287-L1291 PolarHBondContact O-N 3.34Å; I1288-L1291 CarbonylContact O-C 3.08Å; I1288-L1291 VanDerWaalsContact O-C 3.24Å; I1288-L1291 PolarHBondContact O-N 2.95Å; E1289-L1291 VanDerWaalsContact C-N 3.32Å; L1291-A1294 CarbonylContact O-C 3.58Å; L1291-M1295 VanDerWaalsContact C-CB 3.41Å; L1291-M1295 WeakPolarHBondContact O-CA 1.85Å; L1291-M1295 WeakPolarHBondContact O-CB 1.75Å; L1291-M1295 WeakPolarHBondContact O-CG 3.5Å; L1291-M1295 PolarHBondContact O-N 3.38Å |
| 1292 | N | 69.1 | Low | 64.8 | Low | 69 Ų | 69 | 74.7 Ų | 74.7 | 37% | 0.369 | 39% | 0.391 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -108.5 | -15.6 | 0 | 0 | 0 | 109.9 | I1288 E1289 M1295 E1296 | I1288-N1292 VanDerWaalsContact C-N 3.26Å; I1288-N1292 WeakPolarHBondContact O-CA 3.11Å; I1288-N1292 WeakPolarHBondContact O-CB 3.5Å; I1288-N1292 VanDerWaalsContact O-CG 3.31Å; I1288-N1292 PolarHBondContact O-N 3.07Å; E1289-N1292 CarbonylContact O-C 2.82Å; E1289-N1292 PolarHBondContact O-N 3.16Å; E1289-N1292 VanDerWaalsContact O-N 3.16Å; N1292-M1295 CarbonylContact O-C 2.25Å; N1292-M1295 VanDerWaalsContact O-CA 3.25Å; N1292-M1295 WeakPolarHBondContact O-CA 1.64Å; N1292-M1295 VanDerWaalsContact O-CB 3.24Å; N1292-M1295 WeakPolarHBondContact O-CB 1.81Å; N1292-M1295 PolarHBondContact O-N 3.44Å; N1292-E1296 WeakPolarHBondContact O-CA 1.79Å; N1292-E1296 WeakPolarHBondContact O-CB 2.13Å; N1292-E1296 PolarHBondContact O-N 3.41Å | |
| 1293 | N | 63.1 | Low | 64.5 | Low | 7 Ų | 7 | 72.8 Ų | 72.8 | 4% | 0.037 | 38% | 0.384 | C | S | . | . | H | α-helix | 0 | -33.7 | 0 | -78.4 | -19.8 | 0 | 0 | 0 | 110.3 | E1289 G1290 M1295 E1296 E1297 F1843 E1847 | E1289-N1293 VanDerWaalsContact O-CA 3.26Å; E1289-N1293 WeakPolarHBondContact O-CA 1.57Å; E1289-N1293 WeakPolarHBondContact O-CB 2.26Å; E1289-N1293 VanDerWaalsContact O-CG 3.24Å; E1289-N1293 PolarHBondContact O-N 3.37Å; G1290-N1293 CarbonylContact O-C 3.54Å; G1290-N1293 PolarHBondContact O-N 2.9Å; N1293-M1295 PolarHBondContact O-N 2.82Å; N1293-E1296 CarbonylContact O-C 2.94Å; N1293-E1296 PolarHBondContact O-N 3.4Å; N1293-E1297 WeakPolarHBondContact O-CA 3.45Å; N1293-E1297 WeakPolarHBondContact O-CB 3.12Å; N1293-E1297 PolarHBondContact O-N 3.27Å; N1293-F1843 WeakPolarHBondContact ND2-CD1 3.5Å; N1293-F1843 WeakPolarHBondContact ND2-CE1 3.01Å; N1293-E1847 WeakPolarHBondContact CB-OE1 3.46Å; N1293-E1847 PolarHBondContact ND2-OE1 3.4Å; N1293-E1847 PolarHBondContact ND2-OE2 3.45Å | |
| 1294 | A | 58.6 | Low | 64 | Low | 31 Ų | 31 | 73.7 Ų | 73.7 | 26% | 0.256 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.4 | 0 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1290 L1291 E1297 I1298 | G1290-A1294 WeakPolarHBondContact O-CA 2.02Å; G1290-A1294 WeakPolarHBondContact O-CB 2.39Å; G1290-A1294 PolarHBondContact O-N 2.98Å; L1291-A1294 CarbonylContact O-C 3.58Å; A1294-E1297 CarbonylContact O-C 3.54Å; A1294-I1298 HydrophobicContact CB-CD1 3.97Å; A1294-I1298 HydrophobicContact CB-CG1 4.27Å; A1294-I1298 WeakPolarHBondContact O-CA 3.14Å; A1294-I1298 WeakPolarHBondContact O-CB 3.34Å; A1294-I1298 WeakPolarHBondContact O-CD1 1.69Å; A1294-I1298 WeakPolarHBondContact O-CG1 3.27Å; A1294-I1298 PolarHBondContact O-N 2.69Å |
| 1295 | M | 59.8 | Low | 63.4 | Low | 81 Ų | 81 | 74.9 Ų | 74.9 | 40% | 0.399 | 39% | 0.392 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -122.2 | 179 | 75.1 | 0 | 0 | 109.7 | L1291 N1292 N1293 I1298 E1299 | L1291-M1295 VanDerWaalsContact C-CB 3.41Å; L1291-M1295 WeakPolarHBondContact O-CA 1.85Å; L1291-M1295 WeakPolarHBondContact O-CB 1.75Å; L1291-M1295 WeakPolarHBondContact O-CG 3.5Å; L1291-M1295 PolarHBondContact O-N 3.38Å; N1292-M1295 CarbonylContact O-C 2.25Å; N1292-M1295 VanDerWaalsContact O-CA 3.25Å; N1292-M1295 WeakPolarHBondContact O-CA 1.64Å; N1292-M1295 VanDerWaalsContact O-CB 3.24Å; N1292-M1295 WeakPolarHBondContact O-CB 1.81Å; N1292-M1295 PolarHBondContact O-N 3.44Å; N1293-M1295 PolarHBondContact O-N 2.82Å; M1295-I1298 CarbonylContact O-C 3.36Å; M1295-I1298 PolarHBondContact O-N 3.28Å; M1295-E1299 VanDerWaalsContact C-CB 3.48Å; M1295-E1299 WeakPolarHBondContact CE-OE1 3.47Å; M1295-E1299 WeakPolarHBondContact O-CA 1.74Å; M1295-E1299 WeakPolarHBondContact O-CB 3.25Å; M1295-E1299 WeakPolarHBondContact O-CG 3.32Å; M1295-E1299 PolarHBondContact O-N 2.89Å | |
| 1296 | E | 66.3 | Low | 63 | Low | 47 Ų | 47 | 73.3 Ų | 73.3 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -98.4 | -179.6 | 179.5 | 0 | 0 | 109.4 | N1292 N1293 I1298 E1299 T1300 R1844 | N1292-E1296 WeakPolarHBondContact O-CA 1.79Å; N1292-E1296 WeakPolarHBondContact O-CB 2.13Å; N1292-E1296 PolarHBondContact O-N 3.41Å; N1293-E1296 CarbonylContact O-C 2.94Å; N1293-E1296 PolarHBondContact O-N 3.4Å; E1296-I1298 VanDerWaalsContact C-N 3.33Å; E1296-E1299 VanDerWaalsContact C-N 3.33Å; E1296-E1299 CarbonylContact O-C 2.95Å; E1296-E1299 PolarHBondContact O-N 2.72Å; E1296-T1300 VanDerWaalsContact C-N 3.3Å; E1296-T1300 WeakPolarHBondContact O-CA 3.47Å; E1296-T1300 WeakPolarHBondContact O-CB 2.04Å; E1296-T1300 WeakPolarHBondContact O-CG2 2.9Å; E1296-T1300 PolarHBondContact O-N 2.87Å; E1296-T1300 PolarHBondContact O-OG1 2.91Å; E1296-R1844 VanDerWaalsContact CD-NH2 3.27Å; E1296-R1844 IonicContact OE1-NH2 3.61Å; E1296-R1844 IonicContact OE2-CZ 3.52Å; E1296-R1844 IonicContact OE2-NE 3.29Å; E1296-R1844 PolarHBondContact OE2-NE 3.39Å; E1296-R1844 IonicContact OE2-NH2 3.08Å; E1296-R1844 PolarHBondContact OE2-NH2 2.66Å | |
| 1297 | E | 63.2 | Low | 62.7 | Low | 90 Ų | 90 | 78.5 Ų | 78.5 | 42% | 0.421 | 40% | 0.399 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -113.1 | 178.7 | 179.6 | 0 | 0 | 111.6 | N1293 A1294 T1300 K1301 | N1293-E1297 WeakPolarHBondContact O-CA 3.45Å; N1293-E1297 WeakPolarHBondContact O-CB 3.12Å; N1293-E1297 PolarHBondContact O-N 3.27Å; A1294-E1297 CarbonylContact O-C 3.54Å; E1297-T1300 WeakPolarHBondContact CA-OG1 3.38Å; E1297-T1300 PolarHBondContact N-OG1 3.5Å; E1297-T1300 CarbonylContact O-C 3.13Å; E1297-T1300 PolarHBondContact O-OG1 3.31Å; E1297-K1301 VanDerWaalsContact C-CB 3.48Å; E1297-K1301 WeakPolarHBondContact O-CA 2.93Å; E1297-K1301 WeakPolarHBondContact O-CB 3.35Å; E1297-K1301 WeakPolarHBondContact O-CG 2.11Å; E1297-K1301 PolarHBondContact O-N 3.27Å | |
| 1298 | I | 60 | Low | 62.5 | Low | 82 Ų | 82 | 75.1 Ų | 75.1 | 42% | 0.421 | 39% | 0.389 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -69.6 | 177.1 | 0 | 0 | 0 | 109.3 | A1294 M1295 E1296 K1301 L1302 | A1294-I1298 HydrophobicContact CB-CD1 3.97Å; A1294-I1298 HydrophobicContact CB-CG1 4.27Å; A1294-I1298 WeakPolarHBondContact O-CA 3.14Å; A1294-I1298 WeakPolarHBondContact O-CB 3.34Å; A1294-I1298 WeakPolarHBondContact O-CD1 1.69Å; A1294-I1298 WeakPolarHBondContact O-CG1 3.27Å; A1294-I1298 PolarHBondContact O-N 2.69Å; M1295-I1298 CarbonylContact O-C 3.36Å; M1295-I1298 PolarHBondContact O-N 3.28Å; E1296-I1298 VanDerWaalsContact C-N 3.33Å; I1298-K1301 CarbonylContact O-C 3.21Å; I1298-K1301 PolarHBondContact O-N 3.46Å; I1298-L1302 HydrophobicContact CB-CB 4.48Å; I1298-L1302 HydrophobicContact CG2-CB 3.76Å; I1298-L1302 HydrophobicContact CG2-CD1 3.44Å; I1298-L1302 VanDerWaalsContact CG2-CD1 3.44Å; I1298-L1302 HydrophobicContact CG2-CG 4.12Å; I1298-L1302 CarbonylContact O-C 3.18Å; I1298-L1302 WeakPolarHBondContact O-CA 2Å; I1298-L1302 WeakPolarHBondContact O-CB 3.31Å; I1298-L1302 VanDerWaalsContact O-CG 3.26Å; I1298-L1302 WeakPolarHBondContact O-CG 3.12Å; I1298-L1302 CovalentContact O-N 1.64Å; I1298-L1302 PolarHBondContact O-N 2.96Å | |
| 1299 | E | 64.6 | Low | 61.9 | Low | 90 Ų | 90 | 73.4 Ų | 73.4 | 42% | 0.421 | 38% | 0.379 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -87.1 | -179.8 | 174.6 | 0 | 0 | 109.2 | M1295 E1296 L1302 G1303 | M1295-E1299 VanDerWaalsContact C-CB 3.48Å; M1295-E1299 WeakPolarHBondContact CE-OE1 3.47Å; M1295-E1299 WeakPolarHBondContact O-CA 1.74Å; M1295-E1299 WeakPolarHBondContact O-CB 3.25Å; M1295-E1299 WeakPolarHBondContact O-CG 3.32Å; M1295-E1299 PolarHBondContact O-N 2.89Å; E1296-E1299 VanDerWaalsContact C-N 3.33Å; E1296-E1299 CarbonylContact O-C 2.95Å; E1296-E1299 PolarHBondContact O-N 2.72Å; E1299-L1302 VanDerWaalsContact C-N 3.35Å; E1299-L1302 HydrophobicContact CB-CB 4.48Å; E1299-L1302 HydrophobicContact CG-CD2 4.4Å; E1299-L1302 CarbonylContact O-C 3.31Å; E1299-L1302 PolarHBondContact O-N 3.43Å; E1299-G1303 WeakPolarHBondContact O-CA 2.71Å; E1299-G1303 PolarHBondContact O-N 3.31Å | |
| 1300 | T | 61.4 | Low | 61.7 | Low | 81 Ų | 81 | 74.6 Ų | 74.6 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 29.4 | 0 | 0 | 0 | 0 | 108.9 | E1296 E1297 G1303 K1304 | E1296-T1300 VanDerWaalsContact C-N 3.3Å; E1296-T1300 WeakPolarHBondContact O-CA 3.47Å; E1296-T1300 WeakPolarHBondContact O-CB 2.04Å; E1296-T1300 WeakPolarHBondContact O-CG2 2.9Å; E1296-T1300 PolarHBondContact O-N 2.87Å; E1296-T1300 PolarHBondContact O-OG1 2.91Å; E1297-T1300 WeakPolarHBondContact CA-OG1 3.38Å; E1297-T1300 PolarHBondContact N-OG1 3.5Å; E1297-T1300 CarbonylContact O-C 3.13Å; E1297-T1300 PolarHBondContact O-OG1 3.31Å; T1300-G1303 CarbonylContact O-C 3.45Å; T1300-G1303 VanDerWaalsContact O-C 3.27Å; T1300-G1303 PolarHBondContact O-N 3.33Å; T1300-K1304 VanDerWaalsContact O-CA 3.25Å; T1300-K1304 WeakPolarHBondContact O-CA 3.33Å; T1300-K1304 WeakPolarHBondContact O-CB 3.22Å; T1300-K1304 WeakPolarHBondContact O-CG 3.12Å; T1300-K1304 PolarHBondContact O-N 3.4Å | |
| 1301 | K | 58.6 | Low | 61.5 | Low | 124 Ų | 124 | 75.9 Ų | 75.9 | 54% | 0.539 | 39% | 0.394 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -79 | -175.3 | -177.7 | 177.9 | 0 | 111.7 | E1297 I1298 G1303 K1304 V1305 | E1297-K1301 VanDerWaalsContact C-CB 3.48Å; E1297-K1301 WeakPolarHBondContact O-CA 2.93Å; E1297-K1301 WeakPolarHBondContact O-CB 3.35Å; E1297-K1301 WeakPolarHBondContact O-CG 2.11Å; E1297-K1301 PolarHBondContact O-N 3.27Å; I1298-K1301 CarbonylContact O-C 3.21Å; I1298-K1301 PolarHBondContact O-N 3.46Å; K1301-G1303 VanDerWaalsContact C-N 3.3Å; K1301-K1304 CarbonylContact O-C 3.57Å; K1301-K1304 PolarHBondContact O-N 2.94Å; K1301-V1305 HydrophobicContact CB-CG2 3.89Å; K1301-V1305 CarbonylContact O-C 3.52Å; K1301-V1305 WeakPolarHBondContact O-CA 1.98Å; K1301-V1305 WeakPolarHBondContact O-CB 2.33Å; K1301-V1305 WeakPolarHBondContact O-CG2 1.77Å; K1301-V1305 CovalentContact O-N 1.81Å; K1301-V1305 PolarHBondContact O-N 2.77Å | |
| 1302 | L | 58.4 | Low | 61.1 | Low | 64 Ų | 64 | 72 Ų | 72 | 34% | 0.335 | 38% | 0.377 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -156.2 | 86.7 | 0 | 0 | 0 | 109.9 | I1298 E1299 V1305 T1306 E1309 | I1298-L1302 HydrophobicContact CB-CB 4.48Å; I1298-L1302 HydrophobicContact CG2-CB 3.76Å; I1298-L1302 HydrophobicContact CG2-CD1 3.44Å; I1298-L1302 VanDerWaalsContact CG2-CD1 3.44Å; I1298-L1302 HydrophobicContact CG2-CG 4.12Å; I1298-L1302 CarbonylContact O-C 3.18Å; I1298-L1302 WeakPolarHBondContact O-CA 2Å; I1298-L1302 WeakPolarHBondContact O-CB 3.31Å; I1298-L1302 VanDerWaalsContact O-CG 3.26Å; I1298-L1302 WeakPolarHBondContact O-CG 3.12Å; I1298-L1302 CovalentContact O-N 1.64Å; I1298-L1302 PolarHBondContact O-N 2.96Å; E1299-L1302 VanDerWaalsContact C-N 3.35Å; E1299-L1302 HydrophobicContact CB-CB 4.48Å; E1299-L1302 HydrophobicContact CG-CD2 4.4Å; E1299-L1302 CarbonylContact O-C 3.31Å; E1299-L1302 PolarHBondContact O-N 3.43Å; L1302-V1305 VanDerWaalsContact CA-CB 3.47Å; L1302-V1305 CarbonylContact O-C 3.36Å; L1302-T1306 WeakPolarHBondContact CA-OG1 3.27Å; L1302-T1306 WeakPolarHBondContact CB-OG1 2.94Å; L1302-T1306 WeakPolarHBondContact CG-OG1 3.46Å; L1302-T1306 CarbonylContact O-C 3.57Å; L1302-T1306 WeakPolarHBondContact O-CA 2.6Å; L1302-T1306 WeakPolarHBondContact O-CB 3.29Å; L1302-T1306 VanDerWaalsContact O-CG2 3.27Å; L1302-T1306 WeakPolarHBondContact O-CG2 3.12Å; L1302-T1306 PolarHBondContact O-N 3.43Å; L1302-T1306 CovalentContact O-OG1 1.24Å; L1302-T1306 PolarHBondContact O-OG1 3.22Å; L1302-E1309 WeakPolarHBondContact CG-OE2 3.35Å | |
| 1303 | G | 65 | Low | 60.6 | Low | 25 Ų | 25 | 70.8 Ų | 70.8 | 26% | 0.258 | 37% | 0.369 | S | S | . | . | H | α-helix | 0 | -37.7 | 0 | 0 | 0 | 0 | 0 | 0 | 110.1 | E1299 T1300 K1301 V1305 T1306 R1307 | E1299-G1303 WeakPolarHBondContact O-CA 2.71Å; E1299-G1303 PolarHBondContact O-N 3.31Å; T1300-G1303 CarbonylContact O-C 3.45Å; T1300-G1303 VanDerWaalsContact O-C 3.27Å; T1300-G1303 PolarHBondContact O-N 3.33Å; K1301-G1303 VanDerWaalsContact C-N 3.3Å; G1303-V1305 VanDerWaalsContact C-N 3.28Å; G1303-T1306 VanDerWaalsContact C-N 3.28Å; G1303-T1306 WeakPolarHBondContact CA-OG1 3.11Å; G1303-T1306 PolarHBondContact N-OG1 3.38Å; G1303-T1306 CarbonylContact O-C 3.51Å; G1303-T1306 VanDerWaalsContact O-C 3.25Å; G1303-T1306 PolarHBondContact O-N 2.57Å; G1303-R1307 WeakPolarHBondContact O-CA 3.42Å; G1303-R1307 WeakPolarHBondContact O-CB 3.25Å; G1303-R1307 VanDerWaalsContact O-CG 3.27Å; G1303-R1307 WeakPolarHBondContact O-CG 3.45Å; G1303-R1307 PolarHBondContact O-N 3.29Å | |
| 1304 | K | 58.6 | Low | 60.9 | Low | 158 Ų | 158 | 73.3 Ų | 73.3 | 69% | 0.687 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -77.6 | 0 | 169.5 | -84.9 | -175.3 | -178 | 178 | 0 | 110.5 | T1300 K1301 R1307 S1308 | T1300-K1304 VanDerWaalsContact O-CA 3.25Å; T1300-K1304 WeakPolarHBondContact O-CA 3.33Å; T1300-K1304 WeakPolarHBondContact O-CB 3.22Å; T1300-K1304 WeakPolarHBondContact O-CG 3.12Å; T1300-K1304 PolarHBondContact O-N 3.4Å; K1301-K1304 CarbonylContact O-C 3.57Å; K1301-K1304 PolarHBondContact O-N 2.94Å; K1304-R1307 CarbonylContact O-C 3.54Å; K1304-R1307 PolarHBondContact O-N 3.24Å; K1304-S1308 VanDerWaalsContact C-CB 3.42Å; K1304-S1308 WeakPolarHBondContact O-CA 3.25Å; K1304-S1308 WeakPolarHBondContact O-CB 3.31Å; K1304-S1308 PolarHBondContact O-N 3.26Å; K1304-S1308 PolarHBondContact O-OG 3.37Å |
| 1305 | V | 56.1 | Low | 60.9 | Low | 60 Ų | 60 | 77.1 Ų | 77.1 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 171.1 | 0 | 0 | 0 | 0 | 109.6 | K1301 L1302 G1303 S1308 E1309 T1310 | K1301-V1305 HydrophobicContact CB-CG2 3.89Å; K1301-V1305 CarbonylContact O-C 3.52Å; K1301-V1305 WeakPolarHBondContact O-CA 1.98Å; K1301-V1305 WeakPolarHBondContact O-CB 2.33Å; K1301-V1305 WeakPolarHBondContact O-CG2 1.77Å; K1301-V1305 CovalentContact O-N 1.81Å; K1301-V1305 PolarHBondContact O-N 2.77Å; L1302-V1305 VanDerWaalsContact CA-CB 3.47Å; L1302-V1305 CarbonylContact O-C 3.36Å; G1303-V1305 VanDerWaalsContact C-N 3.28Å; V1305-S1308 VanDerWaalsContact CA-OG 3.3Å; V1305-S1308 WeakPolarHBondContact CA-OG 3.07Å; V1305-S1308 CarbonylContact O-C 3.25Å; V1305-S1308 WeakPolarHBondContact O-CA 3.19Å; V1305-S1308 PolarHBondContact O-N 3.04Å; V1305-E1309 HydrophobicContact CB-CB 4.26Å; V1305-E1309 HydrophobicContact CG1-CB 3.61Å; V1305-E1309 HydrophobicContact CG1-CG 4.21Å; V1305-E1309 CarbonylContact O-C 3.46Å; V1305-E1309 WeakPolarHBondContact O-CA 3.36Å; V1305-E1309 WeakPolarHBondContact O-CB 3.33Å; V1305-E1309 VanDerWaalsContact O-CG 3.29Å; V1305-E1309 WeakPolarHBondContact O-CG 3.29Å; V1305-E1309 CovalentContact O-N 1.18Å; V1305-E1309 PolarHBondContact O-N 3.21Å; V1305-T1310 PolarHBondContact O-N 3.39Å | |
| 1306 | T | 61.3 | Low | 60.6 | Low | 48 Ų | 48 | 76.2 Ų | 76.2 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -34 | 0 | 0 | 0 | 0 | 109 | L1302 G1303 E1309 T1310 | L1302-T1306 WeakPolarHBondContact CA-OG1 3.27Å; L1302-T1306 WeakPolarHBondContact CB-OG1 2.94Å; L1302-T1306 WeakPolarHBondContact CG-OG1 3.46Å; L1302-T1306 CarbonylContact O-C 3.57Å; L1302-T1306 WeakPolarHBondContact O-CA 2.6Å; L1302-T1306 WeakPolarHBondContact O-CB 3.29Å; L1302-T1306 VanDerWaalsContact O-CG2 3.27Å; L1302-T1306 WeakPolarHBondContact O-CG2 3.12Å; L1302-T1306 PolarHBondContact O-N 3.43Å; L1302-T1306 CovalentContact O-OG1 1.24Å; L1302-T1306 PolarHBondContact O-OG1 3.22Å; G1303-T1306 VanDerWaalsContact C-N 3.28Å; G1303-T1306 WeakPolarHBondContact CA-OG1 3.11Å; G1303-T1306 PolarHBondContact N-OG1 3.38Å; G1303-T1306 CarbonylContact O-C 3.51Å; G1303-T1306 VanDerWaalsContact O-C 3.25Å; G1303-T1306 PolarHBondContact O-N 2.57Å; T1306-E1309 VanDerWaalsContact C-N 3.32Å; T1306-E1309 HydrophobicContact CG2-CB 4.45Å; T1306-E1309 CarbonylContact O-C 2.93Å; T1306-E1309 PolarHBondContact O-N 2.98Å; T1306-T1310 WeakPolarHBondContact O-CA 3.36Å; T1306-T1310 WeakPolarHBondContact O-CB 3.21Å; T1306-T1310 WeakPolarHBondContact O-CG2 3.38Å; T1306-T1310 PolarHBondContact O-N 2.74Å; T1306-T1310 PolarHBondContact O-OG1 2.98Å | |
| 1307 | R | 62.7 | Low | 60.5 | Low | 199 Ų | 199 | 78.2 Ų | 78.2 | 75% | 0.751 | 41% | 0.408 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -86.2 | -177 | -160.6 | 166 | 1.1 | 109.6 | G1303 K1304 T1310 S1311 | G1303-R1307 WeakPolarHBondContact O-CA 3.42Å; G1303-R1307 WeakPolarHBondContact O-CB 3.25Å; G1303-R1307 VanDerWaalsContact O-CG 3.27Å; G1303-R1307 WeakPolarHBondContact O-CG 3.45Å; G1303-R1307 PolarHBondContact O-N 3.29Å; K1304-R1307 CarbonylContact O-C 3.54Å; K1304-R1307 PolarHBondContact O-N 3.24Å; R1307-T1310 WeakPolarHBondContact CA-OG1 3.23Å; R1307-T1310 PolarHBondContact N-OG1 3.35Å; R1307-T1310 CarbonylContact O-C 2.89Å; R1307-T1310 PolarHBondContact O-N 3.44Å; R1307-T1310 PolarHBondContact O-OG1 2.83Å; R1307-S1311 WeakPolarHBondContact O-CA 3.31Å; R1307-S1311 WeakPolarHBondContact O-CB 3.18Å; R1307-S1311 PolarHBondContact O-N 3.4Å | |
| 1308 | S | 59.6 | Low | 60.8 | Low | 54 Ų | 54 | 80.1 Ų | 80.1 | 38% | 0.378 | 42% | 0.417 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 120 | 0 | 0 | 0 | 0 | 110.3 | K1304 V1305 S1311 A1312 Q1313 | K1304-S1308 VanDerWaalsContact C-CB 3.42Å; K1304-S1308 WeakPolarHBondContact O-CA 3.25Å; K1304-S1308 WeakPolarHBondContact O-CB 3.31Å; K1304-S1308 PolarHBondContact O-N 3.26Å; K1304-S1308 PolarHBondContact O-OG 3.37Å; V1305-S1308 VanDerWaalsContact CA-OG 3.3Å; V1305-S1308 WeakPolarHBondContact CA-OG 3.07Å; V1305-S1308 CarbonylContact O-C 3.25Å; V1305-S1308 WeakPolarHBondContact O-CA 3.19Å; V1305-S1308 PolarHBondContact O-N 3.04Å; S1308-S1311 CarbonylContact O-C 2.85Å; S1308-S1311 PolarHBondContact O-N 2.79Å; S1308-A1312 CarbonylContact O-C 3.35Å; S1308-A1312 WeakPolarHBondContact O-CA 3.46Å; S1308-A1312 WeakPolarHBondContact O-CB 3.11Å; S1308-A1312 CovalentContact O-N 1.57Å; S1308-A1312 PolarHBondContact O-N 3.48Å; S1308-Q1313 PolarHBondContact O-N 2.83Å | |
| 1309 | E | 56.4 | Low | 60.6 | Low | 45 Ų | 45 | 80.8 Ų | 80.8 | 21% | 0.21 | 42% | 0.421 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -165.3 | 179.8 | 178.1 | 0 | 0 | 110.4 | L1302 V1305 T1306 A1312 Q1313 | L1302-E1309 WeakPolarHBondContact CG-OE2 3.35Å; V1305-E1309 HydrophobicContact CB-CB 4.26Å; V1305-E1309 HydrophobicContact CG1-CB 3.61Å; V1305-E1309 HydrophobicContact CG1-CG 4.21Å; V1305-E1309 CarbonylContact O-C 3.46Å; V1305-E1309 WeakPolarHBondContact O-CA 3.36Å; V1305-E1309 WeakPolarHBondContact O-CB 3.33Å; V1305-E1309 VanDerWaalsContact O-CG 3.29Å; V1305-E1309 WeakPolarHBondContact O-CG 3.29Å; V1305-E1309 CovalentContact O-N 1.18Å; V1305-E1309 PolarHBondContact O-N 3.21Å; T1306-E1309 VanDerWaalsContact C-N 3.32Å; T1306-E1309 HydrophobicContact CG2-CB 4.45Å; T1306-E1309 CarbonylContact O-C 2.93Å; T1306-E1309 PolarHBondContact O-N 2.98Å; E1309-A1312 CarbonylContact O-C 3.41Å; E1309-A1312 PolarHBondContact O-N 3.39Å; E1309-Q1313 VanDerWaalsContact CA-N 3.25Å; E1309-Q1313 HydrophobicContact CG-CB 4.11Å; E1309-Q1313 VanDerWaalsContact CG-CD 3.42Å; E1309-Q1313 HydrophobicContact CG-CG 4.4Å; E1309-Q1313 CarbonylContact O-C 3.35Å; E1309-Q1313 WeakPolarHBondContact O-CA 3.44Å; E1309-Q1313 WeakPolarHBondContact O-CB 3.16Å; E1309-Q1313 VanDerWaalsContact O-CG 3.23Å; E1309-Q1313 WeakPolarHBondContact O-CG 3.15Å; E1309-Q1313 CovalentContact O-N 1.55Å; E1309-Q1313 PolarHBondContact O-N 3.5Å; E1309-Q1313 PolarHBondContact O-OE1 3.25Å; E1309-Q1313 PolarHBondContact OE1-OE1 3.12Å | |
| 1310 | T | 62.3 | Low | 60.4 | Low | 76 Ų | 76 | 81.9 Ų | 81.9 | 47% | 0.466 | 42% | 0.421 | S | S | . | . | H | α-helix | 0 | -31.8 | 0 | 24.2 | 0 | 0 | 0 | 0 | 108.9 | V1305 T1306 R1307 Q1313 S1314 | V1305-T1310 PolarHBondContact O-N 3.39Å; T1306-T1310 WeakPolarHBondContact O-CA 3.36Å; T1306-T1310 WeakPolarHBondContact O-CB 3.21Å; T1306-T1310 WeakPolarHBondContact O-CG2 3.38Å; T1306-T1310 PolarHBondContact O-N 2.74Å; T1306-T1310 PolarHBondContact O-OG1 2.98Å; R1307-T1310 WeakPolarHBondContact CA-OG1 3.23Å; R1307-T1310 PolarHBondContact N-OG1 3.35Å; R1307-T1310 CarbonylContact O-C 2.89Å; R1307-T1310 PolarHBondContact O-N 3.44Å; R1307-T1310 PolarHBondContact O-OG1 2.83Å; T1310-Q1313 VanDerWaalsContact CA-CB 3.41Å; T1310-Q1313 CarbonylContact O-C 2.74Å; T1310-Q1313 VanDerWaalsContact O-C 3.31Å; T1310-S1314 WeakPolarHBondContact O-CA 3.25Å; T1310-S1314 WeakPolarHBondContact O-CB 3.32Å; T1310-S1314 PolarHBondContact O-N 3.37Å | |
| 1311 | S | 62.9 | Low | 60.6 | Low | 57 Ų | 57 | 79.7 Ų | 79.7 | 40% | 0.399 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -84.2 | 0 | 173.3 | 161.9 | 0 | 0 | 0 | 0 | 109.8 | R1307 S1308 S1314 E1315 | R1307-S1311 WeakPolarHBondContact O-CA 3.31Å; R1307-S1311 WeakPolarHBondContact O-CB 3.18Å; R1307-S1311 PolarHBondContact O-N 3.4Å; S1308-S1311 CarbonylContact O-C 2.85Å; S1308-S1311 PolarHBondContact O-N 2.79Å; S1311-S1314 CarbonylContact O-C 3.54Å; S1311-S1314 PolarHBondContact O-N 2.98Å; S1311-S1314 PolarHBondContact O-OG 3.38Å; S1311-E1315 WeakPolarHBondContact O-CA 3.27Å; S1311-E1315 WeakPolarHBondContact O-CB 3.46Å; S1311-E1315 WeakPolarHBondContact O-CG 3.42Å; S1311-E1315 PolarHBondContact O-N 3.26Å |
| 1312 | A | 56.3 | Low | 60.6 | Low | 23 Ų | 23 | 81.6 Ų | 81.6 | 19% | 0.19 | 42% | 0.415 | C | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | S1308 E1309 E1315 L1316 | S1308-A1312 CarbonylContact O-C 3.35Å; S1308-A1312 WeakPolarHBondContact O-CA 3.46Å; S1308-A1312 WeakPolarHBondContact O-CB 3.11Å; S1308-A1312 CovalentContact O-N 1.57Å; S1308-A1312 PolarHBondContact O-N 3.48Å; E1309-A1312 CarbonylContact O-C 3.41Å; E1309-A1312 PolarHBondContact O-N 3.39Å; A1312-E1315 VanDerWaalsContact C-N 3.33Å; A1312-E1315 CarbonylContact O-C 2.07Å; A1312-E1315 VanDerWaalsContact O-CA 3.31Å; A1312-E1315 WeakPolarHBondContact O-CA 3.43Å; A1312-E1315 PolarHBondContact O-N 2.77Å; A1312-E1315 VanDerWaalsContact O-N 3.1Å; A1312-L1316 VanDerWaalsContact C-CA 3.48Å; A1312-L1316 CarbonylContact O-C 3.58Å; A1312-L1316 WeakPolarHBondContact O-CA 3.1Å; A1312-L1316 WeakPolarHBondContact O-CB 3.35Å; A1312-L1316 CovalentContact O-N 1.47Å; A1312-L1316 PolarHBondContact O-N 3.01Å | |
| 1313 | Q | 57.7 | Low | 60.6 | Low | 44 Ų | 44 | 82.6 Ų | 82.6 | 21% | 0.206 | 42% | 0.42 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -146 | 107.5 | 10.6 | 0 | 0 | 110 | S1308 E1309 T1310 L1316 N1317 | S1308-Q1313 PolarHBondContact O-N 2.83Å; E1309-Q1313 VanDerWaalsContact CA-N 3.25Å; E1309-Q1313 HydrophobicContact CG-CB 4.11Å; E1309-Q1313 VanDerWaalsContact CG-CD 3.42Å; E1309-Q1313 HydrophobicContact CG-CG 4.4Å; E1309-Q1313 CarbonylContact O-C 3.35Å; E1309-Q1313 WeakPolarHBondContact O-CA 3.44Å; E1309-Q1313 WeakPolarHBondContact O-CB 3.16Å; E1309-Q1313 VanDerWaalsContact O-CG 3.23Å; E1309-Q1313 WeakPolarHBondContact O-CG 3.15Å; E1309-Q1313 CovalentContact O-N 1.55Å; E1309-Q1313 PolarHBondContact O-N 3.5Å; E1309-Q1313 PolarHBondContact O-OE1 3.25Å; E1309-Q1313 PolarHBondContact OE1-OE1 3.12Å; T1310-Q1313 VanDerWaalsContact CA-CB 3.41Å; T1310-Q1313 CarbonylContact O-C 2.74Å; T1310-Q1313 VanDerWaalsContact O-C 3.31Å; Q1313-L1316 VanDerWaalsContact CA-CB 3.49Å; Q1313-L1316 CarbonylContact O-C 3.33Å; Q1313-L1316 VanDerWaalsContact O-C 3.24Å; Q1313-L1316 PolarHBondContact O-N 3.29Å; Q1313-N1317 WeakPolarHBondContact O-CA 3.44Å; Q1313-N1317 WeakPolarHBondContact O-CB 3.14Å; Q1313-N1317 PolarHBondContact O-N 3.23Å; Q1313-N1317 PolarHBondContact O-ND2 3.16Å; Q1313-N1317 PolarHBondContact O-OD1 2.6Å; Q1313-N1317 VanDerWaalsContact O-OD1 3.13Å | |
| 1314 | S | 68.4 | Low | 60.4 | Low | 61 Ų | 61 | 86.9 Ų | 86.9 | 43% | 0.427 | 43% | 0.434 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 108.1 | 0 | 0 | 0 | 0 | 109.6 | T1310 S1311 N1317 H1318 | T1310-S1314 WeakPolarHBondContact O-CA 3.25Å; T1310-S1314 WeakPolarHBondContact O-CB 3.32Å; T1310-S1314 PolarHBondContact O-N 3.37Å; S1311-S1314 CarbonylContact O-C 3.54Å; S1311-S1314 PolarHBondContact O-N 2.98Å; S1311-S1314 PolarHBondContact O-OG 3.38Å; S1314-N1317 CarbonylContact O-C 3.16Å; S1314-H1318 WeakPolarHBondContact O-CA 3.3Å; S1314-H1318 WeakPolarHBondContact O-CB 3.26Å; S1314-H1318 PolarHBondContact O-N 3.46Å | |
| 1315 | E | 59.4 | Low | 60.7 | Low | 111 Ų | 111 | 85.2 Ų | 85.2 | 52% | 0.519 | 43% | 0.428 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -89.5 | -177.5 | -178.1 | 0 | 0 | 110.1 | S1311 A1312 H1318 L1319 | S1311-E1315 WeakPolarHBondContact O-CA 3.27Å; S1311-E1315 WeakPolarHBondContact O-CB 3.46Å; S1311-E1315 WeakPolarHBondContact O-CG 3.42Å; S1311-E1315 PolarHBondContact O-N 3.26Å; A1312-E1315 VanDerWaalsContact C-N 3.33Å; A1312-E1315 CarbonylContact O-C 2.07Å; A1312-E1315 VanDerWaalsContact O-CA 3.31Å; A1312-E1315 WeakPolarHBondContact O-CA 3.43Å; A1312-E1315 PolarHBondContact O-N 2.77Å; A1312-E1315 VanDerWaalsContact O-N 3.1Å; E1315-H1318 CarbonylContact O-C 2.92Å; E1315-H1318 WeakPolarHBondContact O-CA 3.13Å; E1315-H1318 WeakPolarHBondContact O-CB 3.28Å; E1315-H1318 PolarHBondContact O-N 2.65Å; E1315-L1319 HydrophobicContact CB-CD1 4.46Å; E1315-L1319 WeakPolarHBondContact O-CA 3.34Å; E1315-L1319 WeakPolarHBondContact O-CB 3.27Å; E1315-L1319 WeakPolarHBondContact O-CD1 3.45Å; E1315-L1319 WeakPolarHBondContact O-CG 3.38Å; E1315-L1319 PolarHBondContact O-N 3.36Å | |
| 1316 | L | 54.2 | Low | 60.6 | Low | 61 Ų | 61 | 88.2 Ų | 88.2 | 32% | 0.319 | 44% | 0.438 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -134.3 | 144 | 0 | 0 | 0 | 110.2 | A1312 Q1313 H1318 L1319 R1320 A1321 | A1312-L1316 VanDerWaalsContact C-CA 3.48Å; A1312-L1316 CarbonylContact O-C 3.58Å; A1312-L1316 WeakPolarHBondContact O-CA 3.1Å; A1312-L1316 WeakPolarHBondContact O-CB 3.35Å; A1312-L1316 CovalentContact O-N 1.47Å; A1312-L1316 PolarHBondContact O-N 3.01Å; Q1313-L1316 VanDerWaalsContact CA-CB 3.49Å; Q1313-L1316 CarbonylContact O-C 3.33Å; Q1313-L1316 VanDerWaalsContact O-C 3.24Å; Q1313-L1316 PolarHBondContact O-N 3.29Å; L1316-H1318 VanDerWaalsContact C-N 3.32Å; L1316-L1319 VanDerWaalsContact C-N 3.32Å; L1316-L1319 CarbonylContact O-C 2Å; L1316-L1319 WeakPolarHBondContact O-CA 3.3Å; L1316-L1319 PolarHBondContact O-N 3.46Å; L1316-L1319 VanDerWaalsContact O-N 3.1Å; L1316-R1320 HydrophobicContact CB-CG 4.46Å; L1316-R1320 HydrophobicContact CD2-CB 4.11Å; L1316-R1320 HydrophobicContact CD2-CG 3Å; L1316-R1320 HydrophobicContact CG-CG 4.23Å; L1316-R1320 CarbonylContact O-C 3.6Å; L1316-R1320 WeakPolarHBondContact O-CA 3.28Å; L1316-R1320 WeakPolarHBondContact O-CB 3.28Å; L1316-R1320 WeakPolarHBondContact O-CG 3.22Å; L1316-R1320 CovalentContact O-N 1.6Å; L1316-R1320 PolarHBondContact O-N 3.17Å; L1316-A1321 PolarHBondContact O-N 3Å | |
| 1317 | N | 63.3 | Low | 60.4 | Low | 89 Ų | 89 | 88.2 Ų | 88.2 | 48% | 0.476 | 44% | 0.438 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -79.2 | -20 | 0 | 0 | 0 | 109.8 | Q1313 S1314 R1320 A1321 | Q1313-N1317 WeakPolarHBondContact O-CA 3.44Å; Q1313-N1317 WeakPolarHBondContact O-CB 3.14Å; Q1313-N1317 PolarHBondContact O-N 3.23Å; Q1313-N1317 PolarHBondContact O-ND2 3.16Å; Q1313-N1317 PolarHBondContact O-OD1 2.6Å; Q1313-N1317 VanDerWaalsContact O-OD1 3.13Å; S1314-N1317 CarbonylContact O-C 3.16Å; N1317-R1320 CarbonylContact O-C 2.85Å; N1317-A1321 WeakPolarHBondContact O-CA 3.4Å; N1317-A1321 WeakPolarHBondContact O-CB 3.46Å; N1317-A1321 PolarHBondContact O-N 2.48Å | |
| 1318 | H | 69.9 | Low | 60.5 | Low | 131 Ų | 131 | 84.8 Ų | 84.8 | 61% | 0.606 | 43% | 0.431 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -130.4 | -38.9 | 0 | 0 | 0 | 110.2 | S1314 E1315 L1316 A1321 R1322 | S1314-H1318 WeakPolarHBondContact O-CA 3.3Å; S1314-H1318 WeakPolarHBondContact O-CB 3.26Å; S1314-H1318 PolarHBondContact O-N 3.46Å; E1315-H1318 CarbonylContact O-C 2.92Å; E1315-H1318 WeakPolarHBondContact O-CA 3.13Å; E1315-H1318 WeakPolarHBondContact O-CB 3.28Å; E1315-H1318 PolarHBondContact O-N 2.65Å; L1316-H1318 VanDerWaalsContact C-N 3.32Å; H1318-A1321 CarbonylContact O-C 3.14Å; H1318-A1321 VanDerWaalsContact O-C 3.26Å; H1318-A1321 PolarHBondContact O-N 3.25Å; H1318-R1322 VanDerWaalsContact C-N 3.27Å; H1318-R1322 WeakPolarHBondContact O-CA 3.47Å; H1318-R1322 WeakPolarHBondContact O-CB 3.04Å; H1318-R1322 PolarHBondContact O-N 2.5Å | |
| 1319 | L | 55.6 | Low | 60.8 | Low | 95 Ų | 95 | 83.7 Ų | 83.7 | 50% | 0.497 | 43% | 0.425 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -89.8 | 157 | 0 | 0 | 0 | 109.6 | E1315 L1316 A1321 R1322 L1323 | E1315-L1319 HydrophobicContact CB-CD1 4.46Å; E1315-L1319 WeakPolarHBondContact O-CA 3.34Å; E1315-L1319 WeakPolarHBondContact O-CB 3.27Å; E1315-L1319 WeakPolarHBondContact O-CD1 3.45Å; E1315-L1319 WeakPolarHBondContact O-CG 3.38Å; E1315-L1319 PolarHBondContact O-N 3.36Å; L1316-L1319 VanDerWaalsContact C-N 3.32Å; L1316-L1319 CarbonylContact O-C 2Å; L1316-L1319 WeakPolarHBondContact O-CA 3.3Å; L1316-L1319 PolarHBondContact O-N 3.46Å; L1316-L1319 VanDerWaalsContact O-N 3.1Å; L1319-A1321 VanDerWaalsContact C-N 3.26Å; L1319-R1322 VanDerWaalsContact CA-CB 3.45Å; L1319-R1322 HydrophobicContact CD2-CB 4.44Å; L1319-R1322 CarbonylContact O-C 3.2Å; L1319-R1322 WeakPolarHBondContact O-CA 3.3Å; L1319-R1322 WeakPolarHBondContact O-CB 2.82Å; L1319-R1322 PolarHBondContact O-N 2.72Å; L1319-L1323 WeakPolarHBondContact O-CA 2.97Å; L1319-L1323 WeakPolarHBondContact O-CB 2.64Å; L1319-L1323 CovalentContact O-N 1.71Å; L1319-L1323 PolarHBondContact O-N 3.2Å | |
| 1320 | R | 59.5 | Low | 60.8 | Low | 114 Ų | 114 | 87.9 Ų | 87.9 | 43% | 0.43 | 44% | 0.442 | S | S | . | . | H | α-helix | 0 | -31.5 | 0 | -92.3 | -176.6 | -176.7 | 166.9 | 1.7 | 110.4 | L1316 N1317 L1323 E1324 | L1316-R1320 HydrophobicContact CB-CG 4.46Å; L1316-R1320 HydrophobicContact CD2-CB 4.11Å; L1316-R1320 HydrophobicContact CD2-CG 3Å; L1316-R1320 HydrophobicContact CG-CG 4.23Å; L1316-R1320 CarbonylContact O-C 3.6Å; L1316-R1320 WeakPolarHBondContact O-CA 3.28Å; L1316-R1320 WeakPolarHBondContact O-CB 3.28Å; L1316-R1320 WeakPolarHBondContact O-CG 3.22Å; L1316-R1320 CovalentContact O-N 1.6Å; L1316-R1320 PolarHBondContact O-N 3.17Å; N1317-R1320 CarbonylContact O-C 2.85Å; R1320-L1323 CarbonylContact O-C 2.89Å; R1320-L1323 VanDerWaalsContact O-C 3.24Å; R1320-L1323 PolarHBondContact O-N 2.73Å; R1320-E1324 WeakPolarHBondContact O-CA 2.75Å; R1320-E1324 WeakPolarHBondContact O-CB 3.26Å; R1320-E1324 VanDerWaalsContact O-CG 3.27Å; R1320-E1324 WeakPolarHBondContact O-CG 2.79Å; R1320-E1324 PolarHBondContact O-N 3.23Å | |
| 1321 | A | 65.8 | Low | 60.5 | Low | 34 Ų | 34 | 88.3 Ų | 88.3 | 28% | 0.281 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -74.2 | -28.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1316 N1317 H1318 L1319 E1324 E1325 | L1316-A1321 PolarHBondContact O-N 3Å; N1317-A1321 WeakPolarHBondContact O-CA 3.4Å; N1317-A1321 WeakPolarHBondContact O-CB 3.46Å; N1317-A1321 PolarHBondContact O-N 2.48Å; H1318-A1321 CarbonylContact O-C 3.14Å; H1318-A1321 VanDerWaalsContact O-C 3.26Å; H1318-A1321 PolarHBondContact O-N 3.25Å; L1319-A1321 VanDerWaalsContact C-N 3.26Å; A1321-E1324 CarbonylContact O-C 2.79Å; A1321-E1325 WeakPolarHBondContact O-CA 2.71Å; A1321-E1325 WeakPolarHBondContact O-CB 3.4Å; A1321-E1325 WeakPolarHBondContact O-CG 2.4Å; A1321-E1325 PolarHBondContact O-N 3.11Å |
| 1322 | R | 60.3 | Low | 60.7 | Low | 164 Ų | 164 | 87.8 Ų | 87.8 | 62% | 0.619 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -85.8 | 0 | 176.2 | -124.5 | 177.3 | 176.1 | 171.6 | 0.3 | 109.8 | H1318 L1319 E1325 E1326 | H1318-R1322 VanDerWaalsContact C-N 3.27Å; H1318-R1322 WeakPolarHBondContact O-CA 3.47Å; H1318-R1322 WeakPolarHBondContact O-CB 3.04Å; H1318-R1322 PolarHBondContact O-N 2.5Å; L1319-R1322 VanDerWaalsContact CA-CB 3.45Å; L1319-R1322 HydrophobicContact CD2-CB 4.44Å; L1319-R1322 CarbonylContact O-C 3.2Å; L1319-R1322 WeakPolarHBondContact O-CA 3.3Å; L1319-R1322 WeakPolarHBondContact O-CB 2.82Å; L1319-R1322 PolarHBondContact O-N 2.72Å; R1322-E1325 VanDerWaalsContact C-N 3.31Å; R1322-E1325 CarbonylContact O-C 3.27Å; R1322-E1325 VanDerWaalsContact O-CA 3.28Å; R1322-E1325 WeakPolarHBondContact O-CA 2.54Å; R1322-E1325 VanDerWaalsContact O-CB 3.26Å; R1322-E1325 WeakPolarHBondContact O-CB 3.5Å; R1322-E1325 PolarHBondContact O-N 3.32Å; R1322-E1325 VanDerWaalsContact O-N 3.15Å; R1322-E1326 WeakPolarHBondContact O-CA 3.42Å; R1322-E1326 WeakPolarHBondContact O-CB 2.75Å; R1322-E1326 PolarHBondContact O-N 3.4Å |
| 1323 | L | 56.5 | Low | 60.8 | Low | 85 Ų | 85 | 91.3 Ų | 91.3 | 45% | 0.445 | 45% | 0.453 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -169.2 | 81.1 | 0 | 0 | 0 | 110.5 | L1319 R1320 E1325 E1326 T1327 Q1328 | L1319-L1323 WeakPolarHBondContact O-CA 2.97Å; L1319-L1323 WeakPolarHBondContact O-CB 2.64Å; L1319-L1323 CovalentContact O-N 1.71Å; L1319-L1323 PolarHBondContact O-N 3.2Å; R1320-L1323 CarbonylContact O-C 2.89Å; R1320-L1323 VanDerWaalsContact O-C 3.24Å; R1320-L1323 PolarHBondContact O-N 2.73Å; L1323-E1325 PolarHBondContact O-N 3.14Å; L1323-E1326 VanDerWaalsContact CA-CB 3.49Å; L1323-E1326 HydrophobicContact CD1-CB 4.46Å; L1323-E1326 CarbonylContact O-C 3.04Å; L1323-E1326 VanDerWaalsContact O-CA 3.26Å; L1323-E1326 WeakPolarHBondContact O-CA 2.48Å; L1323-E1326 PolarHBondContact O-N 2.7Å; L1323-T1327 HydrophobicContact CG-CG2 4.18Å; L1323-T1327 CarbonylContact O-C 2.78Å; L1323-T1327 WeakPolarHBondContact O-CA 2.46Å; L1323-T1327 WeakPolarHBondContact O-CB 2.57Å; L1323-T1327 CovalentContact O-N 1.64Å; L1323-T1327 PolarHBondContact O-N 3.14Å; L1323-T1327 PolarHBondContact O-OG1 3.37Å; L1323-Q1328 PolarHBondContact O-N 2.97Å | |
| 1324 | E | 61.3 | Low | 60.7 | Low | 116 Ų | 116 | 94.3 Ų | 94.3 | 54% | 0.542 | 47% | 0.467 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -108.1 | 172.5 | -176.9 | 0 | 0 | 110 | R1320 A1321 E1326 T1327 Q1328 | R1320-E1324 WeakPolarHBondContact O-CA 2.75Å; R1320-E1324 WeakPolarHBondContact O-CB 3.26Å; R1320-E1324 VanDerWaalsContact O-CG 3.27Å; R1320-E1324 WeakPolarHBondContact O-CG 2.79Å; R1320-E1324 PolarHBondContact O-N 3.23Å; A1321-E1324 CarbonylContact O-C 2.79Å; E1324-E1326 VanDerWaalsContact C-N 3.27Å; E1324-T1327 WeakPolarHBondContact CA-OG1 3.42Å; E1324-T1327 PolarHBondContact N-OG1 2.63Å; E1324-T1327 CarbonylContact O-C 3.26Å; E1324-Q1328 WeakPolarHBondContact O-CA 2.53Å; E1324-Q1328 WeakPolarHBondContact O-CB 3.46Å; E1324-Q1328 WeakPolarHBondContact O-CG 3.31Å; E1324-Q1328 PolarHBondContact O-N 3.3Å | |
| 1325 | E | 65.1 | Low | 60.5 | Low | 122 Ų | 122 | 95.8 Ų | 95.8 | 57% | 0.57 | 47% | 0.469 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -97.2 | 179.6 | 179.8 | 0 | 0 | 110.1 | A1321 R1322 L1323 Q1328 A1329 | A1321-E1325 WeakPolarHBondContact O-CA 2.71Å; A1321-E1325 WeakPolarHBondContact O-CB 3.4Å; A1321-E1325 WeakPolarHBondContact O-CG 2.4Å; A1321-E1325 PolarHBondContact O-N 3.11Å; R1322-E1325 VanDerWaalsContact C-N 3.31Å; R1322-E1325 CarbonylContact O-C 3.27Å; R1322-E1325 VanDerWaalsContact O-CA 3.28Å; R1322-E1325 WeakPolarHBondContact O-CA 2.54Å; R1322-E1325 VanDerWaalsContact O-CB 3.26Å; R1322-E1325 WeakPolarHBondContact O-CB 3.5Å; R1322-E1325 PolarHBondContact O-N 3.32Å; R1322-E1325 VanDerWaalsContact O-N 3.15Å; L1323-E1325 PolarHBondContact O-N 3.14Å; E1325-Q1328 CarbonylContact O-C 3.07Å; E1325-A1329 WeakPolarHBondContact O-CA 3.29Å; E1325-A1329 WeakPolarHBondContact O-CB 3.46Å; E1325-A1329 PolarHBondContact O-N 2.92Å | |
| 1326 | E | 54.6 | Low | 60.7 | Low | 124 Ų | 124 | 95 Ų | 95 | 58% | 0.579 | 47% | 0.465 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -124 | -160.5 | 170 | 0 | 0 | 109.4 | R1322 L1323 E1324 A1329 K1330 | R1322-E1326 WeakPolarHBondContact O-CA 3.42Å; R1322-E1326 WeakPolarHBondContact O-CB 2.75Å; R1322-E1326 PolarHBondContact O-N 3.4Å; L1323-E1326 VanDerWaalsContact CA-CB 3.49Å; L1323-E1326 HydrophobicContact CD1-CB 4.46Å; L1323-E1326 CarbonylContact O-C 3.04Å; L1323-E1326 VanDerWaalsContact O-CA 3.26Å; L1323-E1326 WeakPolarHBondContact O-CA 2.48Å; L1323-E1326 PolarHBondContact O-N 2.7Å; E1324-E1326 VanDerWaalsContact C-N 3.27Å; E1326-A1329 CarbonylContact O-C 3.52Å; E1326-A1329 VanDerWaalsContact O-CA 3.28Å; E1326-A1329 WeakPolarHBondContact O-CA 2.53Å; E1326-A1329 WeakPolarHBondContact O-CB 2.56Å; E1326-A1329 PolarHBondContact O-N 3.16Å; E1326-A1329 VanDerWaalsContact O-N 3.12Å; E1326-K1330 WeakPolarHBondContact O-CA 2.74Å; E1326-K1330 WeakPolarHBondContact O-CB 3.47Å; E1326-K1330 PolarHBondContact O-N 2.91Å | |
| 1327 | T | 57.1 | Low | 60.9 | Low | 48 Ų | 48 | 95.9 Ų | 95.9 | 29% | 0.294 | 47% | 0.47 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 15 | 0 | 0 | 0 | 0 | 111.1 | L1323 E1324 A1329 K1330 L1331 | L1323-T1327 HydrophobicContact CG-CG2 4.18Å; L1323-T1327 CarbonylContact O-C 2.78Å; L1323-T1327 WeakPolarHBondContact O-CA 2.46Å; L1323-T1327 WeakPolarHBondContact O-CB 2.57Å; L1323-T1327 CovalentContact O-N 1.64Å; L1323-T1327 PolarHBondContact O-N 3.14Å; L1323-T1327 PolarHBondContact O-OG1 3.37Å; E1324-T1327 WeakPolarHBondContact CA-OG1 3.42Å; E1324-T1327 PolarHBondContact N-OG1 2.63Å; E1324-T1327 CarbonylContact O-C 3.26Å; T1327-A1329 VanDerWaalsContact C-N 3.29Å; T1327-K1330 CarbonylContact O-C 3.21Å; T1327-K1330 PolarHBondContact O-N 3.29Å; T1327-L1331 WeakPolarHBondContact O-CA 3.43Å; T1327-L1331 WeakPolarHBondContact O-CB 3.26Å; T1327-L1331 WeakPolarHBondContact O-CD1 3.4Å; T1327-L1331 WeakPolarHBondContact O-CG 3.3Å; T1327-L1331 PolarHBondContact O-N 2.92Å | |
| 1328 | Q | 65.2 | Low | 60.7 | Low | 127 Ų | 127 | 99.7 Ų | 99.7 | 59% | 0.593 | 48% | 0.478 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -95.5 | -170.2 | -5.1 | 0 | 0 | 109.9 | L1323 E1324 E1325 L1331 S1332 | L1323-Q1328 PolarHBondContact O-N 2.97Å; E1324-Q1328 WeakPolarHBondContact O-CA 2.53Å; E1324-Q1328 WeakPolarHBondContact O-CB 3.46Å; E1324-Q1328 WeakPolarHBondContact O-CG 3.31Å; E1324-Q1328 PolarHBondContact O-N 3.3Å; E1325-Q1328 CarbonylContact O-C 3.07Å; Q1328-L1331 CarbonylContact O-C 3.11Å; Q1328-S1332 WeakPolarHBondContact O-CA 3.29Å; Q1328-S1332 WeakPolarHBondContact O-CB 3.28Å; Q1328-S1332 PolarHBondContact O-N 3.41Å; Q1328-S1332 PolarHBondContact O-OG 3.41Å | |
| 1329 | A | 64.6 | Low | 60.5 | Low | 30 Ų | 30 | 98 Ų | 98 | 25% | 0.248 | 47% | 0.47 | C | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.7 | E1325 E1326 T1327 S1332 L1333 | E1325-A1329 WeakPolarHBondContact O-CA 3.29Å; E1325-A1329 WeakPolarHBondContact O-CB 3.46Å; E1325-A1329 PolarHBondContact O-N 2.92Å; E1326-A1329 CarbonylContact O-C 3.52Å; E1326-A1329 VanDerWaalsContact O-CA 3.28Å; E1326-A1329 WeakPolarHBondContact O-CA 2.53Å; E1326-A1329 WeakPolarHBondContact O-CB 2.56Å; E1326-A1329 PolarHBondContact O-N 3.16Å; E1326-A1329 VanDerWaalsContact O-N 3.12Å; T1327-A1329 VanDerWaalsContact C-N 3.29Å; A1329-S1332 CarbonylContact O-C 3.6Å; A1329-S1332 PolarHBondContact O-N 3.3Å; A1329-L1333 HydrophobicContact CB-CD1 4.37Å; A1329-L1333 WeakPolarHBondContact O-CA 3.43Å; A1329-L1333 WeakPolarHBondContact O-CB 3.46Å; A1329-L1333 WeakPolarHBondContact O-CD1 3.45Å; A1329-L1333 WeakPolarHBondContact O-CG 3.28Å; A1329-L1333 PolarHBondContact O-N 3.01Å | |
| 1330 | K | 56.3 | Low | 60.8 | Low | 134 Ų | 134 | 97 Ų | 97 | 58% | 0.583 | 47% | 0.468 | S | S | * | . | H | α-helix | 0 | -30.7 | 0 | -153.4 | -179 | 174.4 | -179.1 | 0 | 109.9 | E1326 T1327 S1332 L1333 Q1334 | E1326-K1330 WeakPolarHBondContact O-CA 2.74Å; E1326-K1330 WeakPolarHBondContact O-CB 3.47Å; E1326-K1330 PolarHBondContact O-N 2.91Å; T1327-K1330 CarbonylContact O-C 3.21Å; T1327-K1330 PolarHBondContact O-N 3.29Å; K1330-S1332 VanDerWaalsContact C-N 3.31Å; K1330-L1333 VanDerWaalsContact C-N 3.3Å; K1330-L1333 CarbonylContact O-C 3.53Å; K1330-L1333 WeakPolarHBondContact O-CA 3.3Å; K1330-L1333 PolarHBondContact O-N 2.75Å; K1330-L1333 VanDerWaalsContact O-N 3.14Å; K1330-Q1334 WeakPolarHBondContact O-CA 3.46Å; K1330-Q1334 WeakPolarHBondContact O-CB 3.33Å; K1330-Q1334 PolarHBondContact O-N 2.3Å | |
| 1331 | L | 57.3 | Low | 60.7 | Low | 85 Ų | 85 | 95.6 Ų | 95.6 | 45% | 0.445 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -80.1 | 0 | 169.1 | -103.2 | 137.8 | 0 | 0 | 0 | 110.2 | T1327 Q1328 L1333 Q1334 L1335 | T1327-L1331 WeakPolarHBondContact O-CA 3.43Å; T1327-L1331 WeakPolarHBondContact O-CB 3.26Å; T1327-L1331 WeakPolarHBondContact O-CD1 3.4Å; T1327-L1331 WeakPolarHBondContact O-CG 3.3Å; T1327-L1331 PolarHBondContact O-N 2.92Å; Q1328-L1331 CarbonylContact O-C 3.11Å; L1331-L1333 VanDerWaalsContact C-N 3.29Å; L1331-Q1334 CarbonylContact O-C 3.57Å; L1331-Q1334 PolarHBondContact O-N 3.36Å; L1331-L1335 VanDerWaalsContact C-CB 3.44Å; L1331-L1335 HydrophobicContact CD2-CD1 4.39Å; L1331-L1335 WeakPolarHBondContact O-CA 2.91Å; L1331-L1335 WeakPolarHBondContact O-CB 3.29Å; L1331-L1335 VanDerWaalsContact O-CD1 3.27Å; L1331-L1335 WeakPolarHBondContact O-CD1 3.27Å; L1331-L1335 WeakPolarHBondContact O-CG 3.23Å; L1331-L1335 PolarHBondContact O-N 3.18Å |
| 1332 | S | 67.1 | Low | 60.7 | Low | 46 Ų | 46 | 99.5 Ų | 99.5 | 32% | 0.322 | 48% | 0.479 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 135.6 | 0 | 0 | 0 | 0 | 109.8 | Q1328 A1329 K1330 L1335 Q1336 | Q1328-S1332 WeakPolarHBondContact O-CA 3.29Å; Q1328-S1332 WeakPolarHBondContact O-CB 3.28Å; Q1328-S1332 PolarHBondContact O-N 3.41Å; Q1328-S1332 PolarHBondContact O-OG 3.41Å; A1329-S1332 CarbonylContact O-C 3.6Å; A1329-S1332 PolarHBondContact O-N 3.3Å; K1330-S1332 VanDerWaalsContact C-N 3.31Å; S1332-L1335 CarbonylContact O-C 3.56Å; S1332-L1335 PolarHBondContact O-N 2.15Å; S1332-Q1336 VanDerWaalsContact C-CB 3.41Å; S1332-Q1336 VanDerWaalsContact C-CG 3.5Å; S1332-Q1336 WeakPolarHBondContact O-CA 3.45Å; S1332-Q1336 WeakPolarHBondContact O-CB 3.33Å; S1332-Q1336 WeakPolarHBondContact O-CG 2.84Å; S1332-Q1336 PolarHBondContact O-N 3.04Å | |
| 1333 | L | 56.8 | Low | 61 | Low | 96 Ų | 96 | 96.1 Ų | 96.1 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -109.3 | 131.6 | 0 | 0 | 0 | 109.5 | A1329 K1330 L1331 Q1336 L1337 | A1329-L1333 HydrophobicContact CB-CD1 4.37Å; A1329-L1333 WeakPolarHBondContact O-CA 3.43Å; A1329-L1333 WeakPolarHBondContact O-CB 3.46Å; A1329-L1333 WeakPolarHBondContact O-CD1 3.45Å; A1329-L1333 WeakPolarHBondContact O-CG 3.28Å; A1329-L1333 PolarHBondContact O-N 3.01Å; K1330-L1333 VanDerWaalsContact C-N 3.3Å; K1330-L1333 CarbonylContact O-C 3.53Å; K1330-L1333 WeakPolarHBondContact O-CA 3.3Å; K1330-L1333 PolarHBondContact O-N 2.75Å; K1330-L1333 VanDerWaalsContact O-N 3.14Å; L1331-L1333 VanDerWaalsContact C-N 3.29Å; L1333-Q1336 VanDerWaalsContact C-N 3.32Å; L1333-Q1336 VanDerWaalsContact CA-CB 3.41Å; L1333-Q1336 CarbonylContact O-C 3.44Å; L1333-Q1336 WeakPolarHBondContact O-CA 3.5Å; L1333-Q1336 PolarHBondContact O-N 2.53Å; L1333-L1337 WeakPolarHBondContact O-CA 3.43Å; L1333-L1337 WeakPolarHBondContact O-CB 3.3Å; L1333-L1337 PolarHBondContact O-N 2.57Å | |
| 1334 | Q | 56.4 | Low | 60.9 | Low | 107 Ų | 107 | 98.9 Ų | 98.9 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -117.5 | 176.5 | -5 | 0 | 0 | 111.1 | K1330 L1331 L1337 R1338 | K1330-Q1334 WeakPolarHBondContact O-CA 3.46Å; K1330-Q1334 WeakPolarHBondContact O-CB 3.33Å; K1330-Q1334 PolarHBondContact O-N 2.3Å; L1331-Q1334 CarbonylContact O-C 3.57Å; L1331-Q1334 PolarHBondContact O-N 3.36Å; Q1334-L1337 CarbonylContact O-C 3.38Å; Q1334-L1337 PolarHBondContact O-N 3.21Å; Q1334-R1338 WeakPolarHBondContact O-CA 3.4Å; Q1334-R1338 WeakPolarHBondContact O-CB 3.3Å; Q1334-R1338 WeakPolarHBondContact O-CG 3.48Å; Q1334-R1338 PolarHBondContact O-N 2.16Å | |
| 1335 | L | 64.3 | Low | 61 | Low | 92 Ų | 92 | 97.6 Ų | 97.6 | 48% | 0.482 | 47% | 0.469 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -101.3 | 148.3 | 0 | 0 | 0 | 109.3 | L1331 S1332 L1337 R1338 Q1339 | L1331-L1335 VanDerWaalsContact C-CB 3.44Å; L1331-L1335 HydrophobicContact CD2-CD1 4.39Å; L1331-L1335 WeakPolarHBondContact O-CA 2.91Å; L1331-L1335 WeakPolarHBondContact O-CB 3.29Å; L1331-L1335 VanDerWaalsContact O-CD1 3.27Å; L1331-L1335 WeakPolarHBondContact O-CD1 3.27Å; L1331-L1335 WeakPolarHBondContact O-CG 3.23Å; L1331-L1335 PolarHBondContact O-N 3.18Å; S1332-L1335 CarbonylContact O-C 3.56Å; S1332-L1335 PolarHBondContact O-N 2.15Å; L1335-L1337 VanDerWaalsContact C-N 3.35Å; L1335-R1338 CarbonylContact O-C 3.44Å; L1335-R1338 PolarHBondContact O-N 3.22Å; L1335-Q1339 WeakPolarHBondContact O-CA 3.49Å; L1335-Q1339 WeakPolarHBondContact O-CB 3.29Å; L1335-Q1339 PolarHBondContact O-N 3.31Å | |
| 1336 | Q | 64.6 | Low | 61 | Low | 94 Ų | 94 | 94.8 Ų | 94.8 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -83.1 | -171.4 | -20.2 | 0 | 0 | 109.8 | S1332 L1333 Q1339 V1340 | S1332-Q1336 VanDerWaalsContact C-CB 3.41Å; S1332-Q1336 VanDerWaalsContact C-CG 3.5Å; S1332-Q1336 WeakPolarHBondContact O-CA 3.45Å; S1332-Q1336 WeakPolarHBondContact O-CB 3.33Å; S1332-Q1336 WeakPolarHBondContact O-CG 2.84Å; S1332-Q1336 PolarHBondContact O-N 3.04Å; L1333-Q1336 VanDerWaalsContact C-N 3.32Å; L1333-Q1336 VanDerWaalsContact CA-CB 3.41Å; L1333-Q1336 CarbonylContact O-C 3.44Å; L1333-Q1336 WeakPolarHBondContact O-CA 3.5Å; L1333-Q1336 PolarHBondContact O-N 2.53Å; Q1336-Q1339 CarbonylContact O-C 3.44Å; Q1336-Q1339 WeakPolarHBondContact O-CA 3.49Å; Q1336-Q1339 PolarHBondContact O-N 2.35Å; Q1336-V1340 VanDerWaalsContact C-CG2 3.42Å; Q1336-V1340 HydrophobicContact CB-CG2 4.46Å; Q1336-V1340 WeakPolarHBondContact O-CA 3.47Å; Q1336-V1340 WeakPolarHBondContact O-CB 3.34Å; Q1336-V1340 WeakPolarHBondContact O-CG2 3.41Å; Q1336-V1340 PolarHBondContact O-N 3.18Å | |
| 1337 | L | 57.7 | Low | 61.3 | Low | 81 Ų | 81 | 93 Ų | 93 | 42% | 0.424 | 46% | 0.457 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -163 | 96.1 | 0 | 0 | 0 | 109.4 | L1333 Q1334 L1335 V1340 E1341 | L1333-L1337 WeakPolarHBondContact O-CA 3.43Å; L1333-L1337 WeakPolarHBondContact O-CB 3.3Å; L1333-L1337 PolarHBondContact O-N 2.57Å; Q1334-L1337 CarbonylContact O-C 3.38Å; Q1334-L1337 PolarHBondContact O-N 3.21Å; L1335-L1337 VanDerWaalsContact C-N 3.35Å; L1337-V1340 CarbonylContact O-C 3.28Å; L1337-V1340 VanDerWaalsContact O-C 3.22Å; L1337-V1340 PolarHBondContact O-N 3.29Å; L1337-E1341 HydrophobicContact CG-CG 4.24Å; L1337-E1341 WeakPolarHBondContact O-CA 3.32Å; L1337-E1341 WeakPolarHBondContact O-CB 3.35Å; L1337-E1341 WeakPolarHBondContact O-CG 3.49Å; L1337-E1341 PolarHBondContact O-N 3.2Å | |
| 1338 | R | 59.8 | Low | 61.4 | Low | 169 Ų | 169 | 95 Ų | 95 | 64% | 0.638 | 46% | 0.462 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -109 | -172.8 | -177.4 | 159.6 | -1.3 | 110 | Q1334 L1335 E1341 E1342 | Q1334-R1338 WeakPolarHBondContact O-CA 3.4Å; Q1334-R1338 WeakPolarHBondContact O-CB 3.3Å; Q1334-R1338 WeakPolarHBondContact O-CG 3.48Å; Q1334-R1338 PolarHBondContact O-N 2.16Å; L1335-R1338 CarbonylContact O-C 3.44Å; L1335-R1338 PolarHBondContact O-N 3.22Å; R1338-E1341 CarbonylContact O-C 3.52Å; R1338-E1341 PolarHBondContact O-N 2.56Å; R1338-E1342 WeakPolarHBondContact O-CA 3.38Å; R1338-E1342 WeakPolarHBondContact O-CB 3.18Å; R1338-E1342 WeakPolarHBondContact O-CG 3.07Å; R1338-E1342 PolarHBondContact O-N 2.58Å | |
| 1339 | Q | 65 | Low | 61.3 | Low | 94 Ų | 94 | 92.9 Ų | 92.9 | 44% | 0.439 | 45% | 0.454 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -142.9 | 170.1 | 2.9 | 0 | 0 | 109.6 | L1335 Q1336 E1342 E1343 | L1335-Q1339 WeakPolarHBondContact O-CA 3.49Å; L1335-Q1339 WeakPolarHBondContact O-CB 3.29Å; L1335-Q1339 PolarHBondContact O-N 3.31Å; Q1336-Q1339 CarbonylContact O-C 3.44Å; Q1336-Q1339 WeakPolarHBondContact O-CA 3.49Å; Q1336-Q1339 PolarHBondContact O-N 2.35Å; Q1339-E1342 CarbonylContact O-C 3.52Å; Q1339-E1342 PolarHBondContact O-N 3.41Å; Q1339-E1343 VanDerWaalsContact C-CG 3.48Å; Q1339-E1343 HydrophobicContact CG-CG 4.46Å; Q1339-E1343 WeakPolarHBondContact O-CA 3.27Å; Q1339-E1343 WeakPolarHBondContact O-CB 3.45Å; Q1339-E1343 WeakPolarHBondContact O-CG 3.5Å; Q1339-E1343 PolarHBondContact O-N 3.4Å | |
| 1340 | V | 61.8 | Low | 61.4 | Low | 74 Ų | 74 | 94.3 Ų | 94.3 | 45% | 0.448 | 46% | 0.463 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 169.9 | 0 | 0 | 0 | 0 | 108.1 | Q1336 L1337 E1343 R1344 | Q1336-V1340 VanDerWaalsContact C-CG2 3.42Å; Q1336-V1340 HydrophobicContact CB-CG2 4.46Å; Q1336-V1340 WeakPolarHBondContact O-CA 3.47Å; Q1336-V1340 WeakPolarHBondContact O-CB 3.34Å; Q1336-V1340 WeakPolarHBondContact O-CG2 3.41Å; Q1336-V1340 PolarHBondContact O-N 3.18Å; L1337-V1340 CarbonylContact O-C 3.28Å; L1337-V1340 VanDerWaalsContact O-C 3.22Å; L1337-V1340 PolarHBondContact O-N 3.29Å; V1340-E1343 VanDerWaalsContact CA-CB 3.47Å; V1340-E1343 CarbonylContact O-C 3.51Å; V1340-E1343 WeakPolarHBondContact O-CA 3.48Å; V1340-E1343 PolarHBondContact O-N 2.95Å; V1340-R1344 WeakPolarHBondContact O-CA 3.22Å; V1340-R1344 WeakPolarHBondContact O-CB 3.03Å; V1340-R1344 PolarHBondContact O-N 3.32Å | |
| 1341 | E | 56.7 | Low | 61.4 | Low | 85 Ų | 85 | 92.4 Ų | 92.4 | 40% | 0.397 | 46% | 0.458 | S | S | . | . | H | α-helix | 0 | -28.4 | 0 | -79.9 | 176.1 | 171 | 0 | 0 | 111.4 | L1337 R1338 R1344 E1345 | L1337-E1341 HydrophobicContact CG-CG 4.24Å; L1337-E1341 WeakPolarHBondContact O-CA 3.32Å; L1337-E1341 WeakPolarHBondContact O-CB 3.35Å; L1337-E1341 WeakPolarHBondContact O-CG 3.49Å; L1337-E1341 PolarHBondContact O-N 3.2Å; R1338-E1341 CarbonylContact O-C 3.52Å; R1338-E1341 PolarHBondContact O-N 2.56Å; E1341-R1344 CarbonylContact O-C 3.22Å; E1341-R1344 VanDerWaalsContact O-C 3.31Å; E1341-R1344 WeakPolarHBondContact O-CB 3.48Å; E1341-R1344 PolarHBondContact O-N 3.18Å; E1341-E1345 VanDerWaalsContact O-CA 3.26Å; E1341-E1345 WeakPolarHBondContact O-CA 3.31Å; E1341-E1345 WeakPolarHBondContact O-CB 3.34Å; E1341-E1345 PolarHBondContact O-N 3.1Å | |
| 1342 | E | 66.3 | Low | 61.5 | Low | 116 Ų | 116 | 91.2 Ų | 91.2 | 54% | 0.542 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -81 | 0 | 169.4 | -104.5 | 177.5 | -179.7 | 0 | 0 | 110 | R1338 Q1339 E1345 T1346 | R1338-E1342 WeakPolarHBondContact O-CA 3.38Å; R1338-E1342 WeakPolarHBondContact O-CB 3.18Å; R1338-E1342 WeakPolarHBondContact O-CG 3.07Å; R1338-E1342 PolarHBondContact O-N 2.58Å; Q1339-E1342 CarbonylContact O-C 3.52Å; Q1339-E1342 PolarHBondContact O-N 3.41Å; E1342-E1345 CarbonylContact O-C 3.59Å; E1342-E1345 PolarHBondContact O-N 3.15Å; E1342-T1346 WeakPolarHBondContact O-CA 2.73Å; E1342-T1346 WeakPolarHBondContact O-CB 2.08Å; E1342-T1346 WeakPolarHBondContact O-CG2 2.78Å; E1342-T1346 PolarHBondContact O-N 2.95Å; E1342-T1346 PolarHBondContact O-OG1 3.43Å |
| 1343 | E | 66.4 | Low | 61.4 | Low | 93 Ų | 93 | 92 Ų | 92 | 44% | 0.435 | 46% | 0.458 | S | S | . | . | H | α-helix | 0 | -25.7 | 0 | -76.6 | 177.9 | 178.1 | 0 | 0 | 109.4 | Q1339 V1340 T1346 V1347 | Q1339-E1343 VanDerWaalsContact C-CG 3.48Å; Q1339-E1343 HydrophobicContact CG-CG 4.46Å; Q1339-E1343 WeakPolarHBondContact O-CA 3.27Å; Q1339-E1343 WeakPolarHBondContact O-CB 3.45Å; Q1339-E1343 WeakPolarHBondContact O-CG 3.5Å; Q1339-E1343 PolarHBondContact O-N 3.4Å; V1340-E1343 VanDerWaalsContact CA-CB 3.47Å; V1340-E1343 CarbonylContact O-C 3.51Å; V1340-E1343 WeakPolarHBondContact O-CA 3.48Å; V1340-E1343 PolarHBondContact O-N 2.95Å; E1343-T1346 WeakPolarHBondContact CA-OG1 3.35Å; E1343-T1346 PolarHBondContact N-OG1 3.43Å; E1343-T1346 CarbonylContact O-C 3.36Å; E1343-T1346 PolarHBondContact O-N 3.49Å; E1343-T1346 PolarHBondContact O-OG1 2.85Å; E1343-V1347 HydrophobicContact CB-CG2 4.44Å; E1343-V1347 WeakPolarHBondContact O-CA 3.38Å; E1343-V1347 WeakPolarHBondContact O-CB 1.81Å; E1343-V1347 WeakPolarHBondContact O-CG2 2.94Å; E1343-V1347 PolarHBondContact O-N 3.49Å | |
| 1344 | R | 55.5 | Low | 61.4 | Low | 143 Ų | 143 | 93.6 Ų | 93.6 | 54% | 0.54 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -75.5 | -33.8 | 169.9 | -170.8 | -164.6 | 113.3 | -167.9 | -0.5 | 110.9 | V1340 E1341 V1347 K1348 | V1340-R1344 WeakPolarHBondContact O-CA 3.22Å; V1340-R1344 WeakPolarHBondContact O-CB 3.03Å; V1340-R1344 PolarHBondContact O-N 3.32Å; E1341-R1344 CarbonylContact O-C 3.22Å; E1341-R1344 VanDerWaalsContact O-C 3.31Å; E1341-R1344 WeakPolarHBondContact O-CB 3.48Å; E1341-R1344 PolarHBondContact O-N 3.18Å; R1344-V1347 CarbonylContact O-C 3Å; R1344-K1348 VanDerWaalsContact C-N 3.32Å; R1344-K1348 WeakPolarHBondContact O-CA 2.48Å; R1344-K1348 WeakPolarHBondContact O-CB 2.34Å; R1344-K1348 PolarHBondContact O-N 2.94Å |
| 1345 | E | 62.6 | Low | 61.4 | Low | 90 Ų | 90 | 92.9 Ų | 92.9 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -83 | 0 | 174 | -105.4 | -72.4 | 166.9 | 0 | 0 | 110 | E1341 E1342 K1348 D1349 | E1341-E1345 VanDerWaalsContact O-CA 3.26Å; E1341-E1345 WeakPolarHBondContact O-CA 3.31Å; E1341-E1345 WeakPolarHBondContact O-CB 3.34Å; E1341-E1345 PolarHBondContact O-N 3.1Å; E1342-E1345 CarbonylContact O-C 3.59Å; E1342-E1345 PolarHBondContact O-N 3.15Å; E1345-K1348 CarbonylContact O-C 3.34Å; E1345-K1348 WeakPolarHBondContact O-CA 3.27Å; E1345-K1348 WeakPolarHBondContact O-CB 2.98Å; E1345-K1348 PolarHBondContact O-N 2.61Å; E1345-D1349 VanDerWaalsContact C-N 3.25Å; E1345-D1349 WeakPolarHBondContact O-CA 1.72Å; E1345-D1349 WeakPolarHBondContact O-CB 2.68Å; E1345-D1349 PolarHBondContact O-N 3.3Å |
| 1346 | T | 64.3 | Low | 61.1 | Low | 63 Ų | 63 | 95 Ų | 95 | 39% | 0.387 | 47% | 0.467 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 29 | 0 | 0 | 0 | 0 | 108.9 | E1342 E1343 K1348 D1349 S1350 | E1342-T1346 WeakPolarHBondContact O-CA 2.73Å; E1342-T1346 WeakPolarHBondContact O-CB 2.08Å; E1342-T1346 WeakPolarHBondContact O-CG2 2.78Å; E1342-T1346 PolarHBondContact O-N 2.95Å; E1342-T1346 PolarHBondContact O-OG1 3.43Å; E1343-T1346 WeakPolarHBondContact CA-OG1 3.35Å; E1343-T1346 PolarHBondContact N-OG1 3.43Å; E1343-T1346 CarbonylContact O-C 3.36Å; E1343-T1346 PolarHBondContact O-N 3.49Å; E1343-T1346 PolarHBondContact O-OG1 2.85Å; T1346-K1348 VanDerWaalsContact C-N 3.29Å; T1346-D1349 CarbonylContact O-C 3.51Å; T1346-D1349 WeakPolarHBondContact O-CA 2.06Å; T1346-D1349 PolarHBondContact O-N 3.32Å; T1346-D1349 VanDerWaalsContact O-N 3.14Å; T1346-S1350 VanDerWaalsContact C-OG 3.26Å; T1346-S1350 WeakPolarHBondContact O-CA 3.07Å; T1346-S1350 WeakPolarHBondContact O-CB 3.47Å; T1346-S1350 PolarHBondContact O-N 2.94Å; T1346-S1350 PolarHBondContact O-OG 2.83Å | |
| 1347 | V | 61.7 | Low | 60.8 | Low | 86 Ų | 86 | 92.4 Ų | 92.4 | 52% | 0.521 | 46% | 0.462 | S | S | . | . | H | α-helix | 0 | -23.5 | 0 | 171.1 | 0 | 0 | 0 | 0 | 108.6 | E1343 R1344 S1350 L1351 | E1343-V1347 HydrophobicContact CB-CG2 4.44Å; E1343-V1347 WeakPolarHBondContact O-CA 3.38Å; E1343-V1347 WeakPolarHBondContact O-CB 1.81Å; E1343-V1347 WeakPolarHBondContact O-CG2 2.94Å; E1343-V1347 PolarHBondContact O-N 3.49Å; R1344-V1347 CarbonylContact O-C 3Å; V1347-S1350 CarbonylContact O-C 3.28Å; V1347-S1350 VanDerWaalsContact O-C 3.23Å; V1347-S1350 PolarHBondContact O-N 2.6Å; V1347-L1351 VanDerWaalsContact C-N 3.28Å; V1347-L1351 WeakPolarHBondContact O-CA 3.2Å; V1347-L1351 WeakPolarHBondContact O-CB 3.26Å; V1347-L1351 PolarHBondContact O-N 2.61Å | |
| 1348 | K | 58.8 | Low | 60.6 | Low | 91 Ų | 91 | 94.2 Ų | 94.2 | 40% | 0.396 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -79.8 | 0 | 169.5 | -139.6 | 179.7 | 178.4 | 175.6 | 0 | 110.3 | R1344 E1345 T1346 L1351 D1352 | R1344-K1348 VanDerWaalsContact C-N 3.32Å; R1344-K1348 WeakPolarHBondContact O-CA 2.48Å; R1344-K1348 WeakPolarHBondContact O-CB 2.34Å; R1344-K1348 PolarHBondContact O-N 2.94Å; E1345-K1348 CarbonylContact O-C 3.34Å; E1345-K1348 WeakPolarHBondContact O-CA 3.27Å; E1345-K1348 WeakPolarHBondContact O-CB 2.98Å; E1345-K1348 PolarHBondContact O-N 2.61Å; T1346-K1348 VanDerWaalsContact C-N 3.29Å; K1348-L1351 CarbonylContact O-C 3.59Å; K1348-L1351 VanDerWaalsContact O-C 3.26Å; K1348-L1351 PolarHBondContact O-N 2.67Å; K1348-D1352 WeakPolarHBondContact O-CA 3.29Å; K1348-D1352 WeakPolarHBondContact O-CB 3.47Å; K1348-D1352 PolarHBondContact O-N 3.21Å |
| 1349 | D | 63.7 | Low | 60.5 | Low | 81 Ų | 81 | 89.2 Ų | 89.2 | 43% | 0.433 | 46% | 0.455 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -79.5 | -15.3 | 0 | 0 | 0 | 109.6 | E1345 T1346 D1352 S1353 | E1345-D1349 VanDerWaalsContact C-N 3.25Å; E1345-D1349 WeakPolarHBondContact O-CA 1.72Å; E1345-D1349 WeakPolarHBondContact O-CB 2.68Å; E1345-D1349 PolarHBondContact O-N 3.3Å; T1346-D1349 CarbonylContact O-C 3.51Å; T1346-D1349 WeakPolarHBondContact O-CA 2.06Å; T1346-D1349 PolarHBondContact O-N 3.32Å; T1346-D1349 VanDerWaalsContact O-N 3.14Å; D1349-D1352 CarbonylContact O-C 3.57Å; D1349-D1352 WeakPolarHBondContact O-CA 2.5Å; D1349-D1352 PolarHBondContact O-N 3.01Å; D1349-S1353 VanDerWaalsContact C-N 3.34Å; D1349-S1353 WeakPolarHBondContact O-CA 2.92Å; D1349-S1353 WeakPolarHBondContact O-CB 1.52Å; D1349-S1353 PolarHBondContact O-N 3.32Å | |
| 1350 | S | 65.4 | Low | 60.2 | Low | 61 Ų | 61 | 87.8 Ų | 87.8 | 43% | 0.427 | 46% | 0.458 | S | S | . | . | H | α-helix | 0 | -25.4 | 0 | -52 | 0 | 0 | 0 | 0 | 109.6 | T1346 V1347 D1352 S1353 E1354 | T1346-S1350 VanDerWaalsContact C-OG 3.26Å; T1346-S1350 WeakPolarHBondContact O-CA 3.07Å; T1346-S1350 WeakPolarHBondContact O-CB 3.47Å; T1346-S1350 PolarHBondContact O-N 2.94Å; T1346-S1350 PolarHBondContact O-OG 2.83Å; V1347-S1350 CarbonylContact O-C 3.28Å; V1347-S1350 VanDerWaalsContact O-C 3.23Å; V1347-S1350 PolarHBondContact O-N 2.6Å; S1350-D1352 VanDerWaalsContact C-N 3.31Å; S1350-S1353 CarbonylContact O-C 3.5Å; S1350-S1353 VanDerWaalsContact O-C 3.24Å; S1350-S1353 PolarHBondContact O-N 3.12Å; S1350-S1353 PolarHBondContact O-OG 3.08Å; S1350-E1354 WeakPolarHBondContact O-CA 3.32Å; S1350-E1354 WeakPolarHBondContact O-CB 3.31Å; S1350-E1354 WeakPolarHBondContact O-CG 3.42Å; S1350-E1354 PolarHBondContact O-N 3.08Å | |
| 1351 | L | 56.8 | Low | 59.9 | Low | 93 Ų | 93 | 89.4 Ų | 89.4 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -77.4 | 0 | 167.6 | -171.1 | 75.8 | 0 | 0 | 0 | 110.9 | V1347 K1348 E1354 E1355 | V1347-L1351 VanDerWaalsContact C-N 3.28Å; V1347-L1351 WeakPolarHBondContact O-CA 3.2Å; V1347-L1351 WeakPolarHBondContact O-CB 3.26Å; V1347-L1351 PolarHBondContact O-N 2.61Å; K1348-L1351 CarbonylContact O-C 3.59Å; K1348-L1351 VanDerWaalsContact O-C 3.26Å; K1348-L1351 PolarHBondContact O-N 2.67Å; L1351-E1354 CarbonylContact O-C 3.51Å; L1351-E1354 VanDerWaalsContact O-C 3.24Å; L1351-E1354 PolarHBondContact O-N 2.85Å; L1351-E1355 VanDerWaalsContact C-N 3.29Å; L1351-E1355 WeakPolarHBondContact O-CA 2.52Å; L1351-E1355 WeakPolarHBondContact O-CB 2.95Å; L1351-E1355 WeakPolarHBondContact O-CG 3.1Å; L1351-E1355 PolarHBondContact O-N 3.24Å |
| 1352 | D | 60.3 | Low | 59.8 | Low | 61 Ų | 61 | 89.4 Ų | 89.4 | 33% | 0.326 | 46% | 0.464 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -83.6 | -15.3 | 0 | 0 | 0 | 109.8 | K1348 D1349 S1350 E1355 Q1356 | K1348-D1352 WeakPolarHBondContact O-CA 3.29Å; K1348-D1352 WeakPolarHBondContact O-CB 3.47Å; K1348-D1352 PolarHBondContact O-N 3.21Å; D1349-D1352 CarbonylContact O-C 3.57Å; D1349-D1352 WeakPolarHBondContact O-CA 2.5Å; D1349-D1352 PolarHBondContact O-N 3.01Å; S1350-D1352 VanDerWaalsContact C-N 3.31Å; D1352-E1355 CarbonylContact O-C 3.5Å; D1352-E1355 WeakPolarHBondContact O-CB 3.34Å; D1352-E1355 PolarHBondContact O-N 3.18Å; D1352-Q1356 VanDerWaalsContact O-CA 3.25Å; D1352-Q1356 WeakPolarHBondContact O-CA 3.25Å; D1352-Q1356 WeakPolarHBondContact O-CB 3.49Å; D1352-Q1356 WeakPolarHBondContact O-CG 3.33Å; D1352-Q1356 PolarHBondContact O-N 2.95Å | |
| 1353 | S | 64.6 | Low | 59.5 | Low | 62 Ų | 62 | 91.8 Ų | 91.8 | 43% | 0.434 | 47% | 0.473 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 114.7 | 0 | 0 | 0 | 0 | 109.6 | D1349 S1350 E1355 Q1356 A1357 | D1349-S1353 VanDerWaalsContact C-N 3.34Å; D1349-S1353 WeakPolarHBondContact O-CA 2.92Å; D1349-S1353 WeakPolarHBondContact O-CB 1.52Å; D1349-S1353 PolarHBondContact O-N 3.32Å; S1350-S1353 CarbonylContact O-C 3.5Å; S1350-S1353 VanDerWaalsContact O-C 3.24Å; S1350-S1353 PolarHBondContact O-N 3.12Å; S1350-S1353 PolarHBondContact O-OG 3.08Å; S1353-E1355 VanDerWaalsContact C-N 3.34Å; S1353-Q1356 CarbonylContact O-C 3.41Å; S1353-Q1356 PolarHBondContact O-N 2.68Å; S1353-A1357 VanDerWaalsContact O-CA 3.27Å; S1353-A1357 WeakPolarHBondContact O-CA 3.2Å; S1353-A1357 WeakPolarHBondContact O-CB 3.29Å; S1353-A1357 PolarHBondContact O-N 3.25Å | |
| 1354 | E | 57.2 | Low | 59.2 | Low | 130 Ų | 130 | 93.4 Ų | 93.4 | 61% | 0.607 | 48% | 0.48 | S | S | * | . | H | α-helix | 0 | -17.1 | 0 | -103.9 | -105.6 | 171 | 0 | 0 | 109.9 | S1350 L1351 A1357 K1358 | S1350-E1354 WeakPolarHBondContact O-CA 3.32Å; S1350-E1354 WeakPolarHBondContact O-CB 3.31Å; S1350-E1354 WeakPolarHBondContact O-CG 3.42Å; S1350-E1354 PolarHBondContact O-N 3.08Å; L1351-E1354 CarbonylContact O-C 3.51Å; L1351-E1354 VanDerWaalsContact O-C 3.24Å; L1351-E1354 PolarHBondContact O-N 2.85Å; E1354-A1357 CarbonylContact O-C 3.57Å; E1354-K1358 VanDerWaalsContact O-CA 3.24Å; E1354-K1358 WeakPolarHBondContact O-CA 3.06Å; E1354-K1358 WeakPolarHBondContact O-CB 3.38Å; E1354-K1358 PolarHBondContact O-N 3.4Å | |
| 1355 | E | 55.4 | Low | 59.2 | Low | 91 Ų | 91 | 90.5 Ų | 90.5 | 43% | 0.425 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -87 | -17.9 | 169.4 | -111.1 | -178.6 | 176.7 | 0 | 0 | 110.2 | L1351 D1352 S1353 K1358 T1359 | L1351-E1355 VanDerWaalsContact C-N 3.29Å; L1351-E1355 WeakPolarHBondContact O-CA 2.52Å; L1351-E1355 WeakPolarHBondContact O-CB 2.95Å; L1351-E1355 WeakPolarHBondContact O-CG 3.1Å; L1351-E1355 PolarHBondContact O-N 3.24Å; D1352-E1355 CarbonylContact O-C 3.5Å; D1352-E1355 WeakPolarHBondContact O-CB 3.34Å; D1352-E1355 PolarHBondContact O-N 3.18Å; S1353-E1355 VanDerWaalsContact C-N 3.34Å; E1355-K1358 HydrophobicContact CG-CD 4.4Å; E1355-K1358 CarbonylContact O-C 3.55Å; E1355-K1358 VanDerWaalsContact O-CB 3.23Å; E1355-K1358 WeakPolarHBondContact O-CB 3.4Å; E1355-K1358 PolarHBondContact O-N 2.6Å; E1355-T1359 WeakPolarHBondContact O-CB 3.43Å; E1355-T1359 WeakPolarHBondContact O-CG2 3.47Å; E1355-T1359 PolarHBondContact O-N 1.85Å; E1355-T1359 PolarHBondContact O-OG1 2.3Å |
| 1356 | Q | 59.2 | Low | 59.2 | Low | 137 Ų | 137 | 91.3 Ų | 91.3 | 64% | 0.64 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -94.3 | 0 | 171.6 | -85.7 | 179.5 | 1.8 | 0 | 0 | 109.8 | D1352 S1353 K1358 T1359 A1360 | D1352-Q1356 VanDerWaalsContact O-CA 3.25Å; D1352-Q1356 WeakPolarHBondContact O-CA 3.25Å; D1352-Q1356 WeakPolarHBondContact O-CB 3.49Å; D1352-Q1356 WeakPolarHBondContact O-CG 3.33Å; D1352-Q1356 PolarHBondContact O-N 2.95Å; S1353-Q1356 CarbonylContact O-C 3.41Å; S1353-Q1356 PolarHBondContact O-N 2.68Å; Q1356-K1358 VanDerWaalsContact C-N 3.28Å; Q1356-T1359 WeakPolarHBondContact CA-OG1 3.27Å; Q1356-T1359 CarbonylContact O-C 3.54Å; Q1356-T1359 PolarHBondContact O-N 3.27Å; Q1356-T1359 PolarHBondContact O-OG1 3.47Å; Q1356-A1360 VanDerWaalsContact O-CB 3.32Å; Q1356-A1360 WeakPolarHBondContact O-CB 3.44Å; Q1356-A1360 PolarHBondContact O-N 3.21Å |
| 1357 | A | 57.1 | Low | 59 | Low | 40 Ų | 40 | 91.2 Ų | 91.2 | 33% | 0.331 | 49% | 0.486 | S | S | . | . | H | α-helix | 0 | -16.1 | 0 | 0 | 0 | 0 | 0 | 0 | 109.7 | S1353 E1354 A1360 L1361 | S1353-A1357 VanDerWaalsContact O-CA 3.27Å; S1353-A1357 WeakPolarHBondContact O-CA 3.2Å; S1353-A1357 WeakPolarHBondContact O-CB 3.29Å; S1353-A1357 PolarHBondContact O-N 3.25Å; E1354-A1357 CarbonylContact O-C 3.57Å; A1357-A1360 CarbonylContact O-C 3.57Å; A1357-A1360 PolarHBondContact O-N 2.6Å; A1357-L1361 WeakPolarHBondContact O-CA 3.48Å; A1357-L1361 WeakPolarHBondContact O-CB 3.31Å; A1357-L1361 WeakPolarHBondContact O-CD1 3.43Å; A1357-L1361 WeakPolarHBondContact O-CG 3.13Å; A1357-L1361 PolarHBondContact O-N 3.05Å | |
| 1358 | K | 54 | Low | 58.7 | Low | 118 Ų | 118 | 91.5 Ų | 91.5 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -80.9 | -25.2 | 167 | -164.8 | -179 | 173.9 | -175.8 | 0 | 110.3 | E1354 E1355 Q1356 L1361 E1362 | E1354-K1358 VanDerWaalsContact O-CA 3.24Å; E1354-K1358 WeakPolarHBondContact O-CA 3.06Å; E1354-K1358 WeakPolarHBondContact O-CB 3.38Å; E1354-K1358 PolarHBondContact O-N 3.4Å; E1355-K1358 HydrophobicContact CG-CD 4.4Å; E1355-K1358 CarbonylContact O-C 3.55Å; E1355-K1358 VanDerWaalsContact O-CB 3.23Å; E1355-K1358 WeakPolarHBondContact O-CB 3.4Å; E1355-K1358 PolarHBondContact O-N 2.6Å; Q1356-K1358 VanDerWaalsContact C-N 3.28Å; K1358-L1361 CarbonylContact O-C 3.43Å; K1358-E1362 WeakPolarHBondContact O-CA 3.17Å; K1358-E1362 WeakPolarHBondContact O-CB 3.45Å; K1358-E1362 WeakPolarHBondContact O-CG 3.27Å; K1358-E1362 PolarHBondContact O-N 2.62Å |
| 1359 | T | 58.7 | Low | 58.7 | Low | 65 Ų | 65 | 88.7 Ų | 88.7 | 40% | 0.399 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -89.2 | -20.8 | 172.8 | 46.7 | 0 | 0 | 0 | 0 | 110 | E1355 Q1356 E1362 K1363 | E1355-T1359 WeakPolarHBondContact O-CB 3.43Å; E1355-T1359 WeakPolarHBondContact O-CG2 3.47Å; E1355-T1359 PolarHBondContact O-N 1.85Å; E1355-T1359 PolarHBondContact O-OG1 2.3Å; Q1356-T1359 WeakPolarHBondContact CA-OG1 3.27Å; Q1356-T1359 CarbonylContact O-C 3.54Å; Q1356-T1359 PolarHBondContact O-N 3.27Å; Q1356-T1359 PolarHBondContact O-OG1 3.47Å; T1359-E1362 VanDerWaalsContact CA-CB 3.42Å; T1359-E1362 WeakPolarHBondContact CA-OE2 3.21Å; T1359-E1362 WeakPolarHBondContact CG2-OE2 3.45Å; T1359-E1362 CarbonylContact O-C 3.46Å; T1359-E1362 VanDerWaalsContact O-CB 3.29Å; T1359-E1362 WeakPolarHBondContact O-CB 3.3Å; T1359-E1362 PolarHBondContact O-N 3.05Å; T1359-K1363 PolarHBondContact O-N 3.01Å |
| 1360 | A | 58.2 | Low | 58.5 | Low | 63 Ų | 63 | 89.1 Ų | 89.1 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -87.3 | -18.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q1356 A1357 K1363 H1364 | Q1356-A1360 VanDerWaalsContact O-CB 3.32Å; Q1356-A1360 WeakPolarHBondContact O-CB 3.44Å; Q1356-A1360 PolarHBondContact O-N 3.21Å; A1357-A1360 CarbonylContact O-C 3.57Å; A1357-A1360 PolarHBondContact O-N 2.6Å; A1360-K1363 PolarHBondContact O-N 3.03Å; A1360-H1364 PolarHBondContact O-N 3.38Å |
| 1361 | L | 55.2 | Low | 58.2 | Low | 108 Ų | 108 | 93.5 Ų | 93.5 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -88.5 | -15.9 | 164.3 | -94.1 | 152 | 0 | 0 | 0 | 109.9 | A1357 K1358 K1363 H1364 I1365 | A1357-L1361 WeakPolarHBondContact O-CA 3.48Å; A1357-L1361 WeakPolarHBondContact O-CB 3.31Å; A1357-L1361 WeakPolarHBondContact O-CD1 3.43Å; A1357-L1361 WeakPolarHBondContact O-CG 3.13Å; A1357-L1361 PolarHBondContact O-N 3.05Å; K1358-L1361 CarbonylContact O-C 3.43Å; L1361-K1363 VanDerWaalsContact C-N 3.25Å; L1361-K1363 PolarHBondContact O-N 2.99Å; L1361-H1364 CarbonylContact O-C 3.59Å; L1361-H1364 PolarHBondContact O-N 2.73Å; L1361-I1365 VanDerWaalsContact C-CG1 3.47Å; L1361-I1365 HydrophobicContact CB-CD1 4.5Å; L1361-I1365 WeakPolarHBondContact O-CA 3.28Å; L1361-I1365 WeakPolarHBondContact O-CB 3.49Å; L1361-I1365 WeakPolarHBondContact O-CD1 3.34Å; L1361-I1365 WeakPolarHBondContact O-CG1 3.35Å; L1361-I1365 PolarHBondContact O-N 2.38Å |
| 1362 | E | 55.3 | Low | 58.1 | Low | 86 Ų | 86 | 92.8 Ų | 92.8 | 40% | 0.402 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -82.5 | -13.3 | 170.7 | -95.1 | 174.6 | 176.8 | 0 | 0 | 110.6 | K1358 T1359 I1365 I1366 | K1358-E1362 WeakPolarHBondContact O-CA 3.17Å; K1358-E1362 WeakPolarHBondContact O-CB 3.45Å; K1358-E1362 WeakPolarHBondContact O-CG 3.27Å; K1358-E1362 PolarHBondContact O-N 2.62Å; T1359-E1362 VanDerWaalsContact CA-CB 3.42Å; T1359-E1362 WeakPolarHBondContact CA-OE2 3.21Å; T1359-E1362 WeakPolarHBondContact CG2-OE2 3.45Å; T1359-E1362 CarbonylContact O-C 3.46Å; T1359-E1362 VanDerWaalsContact O-CB 3.29Å; T1359-E1362 WeakPolarHBondContact O-CB 3.3Å; T1359-E1362 PolarHBondContact O-N 3.05Å; E1362-I1365 HydrophobicContact CG-CD1 4.37Å; E1362-I1365 CarbonylContact O-C 3.23Å; E1362-I1365 WeakPolarHBondContact O-CB 3.22Å; E1362-I1366 WeakPolarHBondContact O-CB 3.27Å; E1362-I1366 WeakPolarHBondContact O-CD1 3.49Å; E1362-I1366 WeakPolarHBondContact O-CG1 3.29Å; E1362-I1366 PolarHBondContact O-N 3.04Å |
| 1363 | K | 59.5 | Low | 58 | Low | 165 Ų | 165 | 95.7 Ų | 95.7 | 72% | 0.717 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -98.6 | -21.3 | 172.2 | -88.7 | -173.4 | -178.6 | 178.3 | 0 | 110.1 | T1359 A1360 L1361 | T1359-K1363 PolarHBondContact O-N 3.01Å; A1360-K1363 PolarHBondContact O-N 3.03Å; L1361-K1363 VanDerWaalsContact C-N 3.25Å; L1361-K1363 PolarHBondContact O-N 2.99Å |
| 1364 | H | 59.3 | Low | 57.7 | Low | 128 Ų | 128 | 99.8 Ų | 99.8 | 59% | 0.593 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -82.8 | 0 | 162.2 | -132.9 | -47.7 | 0 | 0 | 0 | 110.6 | A1360 L1361 A1367 L1368 | A1360-H1364 PolarHBondContact O-N 3.38Å; L1361-H1364 CarbonylContact O-C 3.59Å; L1361-H1364 PolarHBondContact O-N 2.73Å; H1364-A1367 PolarHBondContact O-N 3.43Å; H1364-L1368 WeakPolarHBondContact O-CB 3.17Å; H1364-L1368 PolarHBondContact O-N 3.18Å |
| 1365 | I | 55.7 | Low | 57.7 | Low | 81 Ų | 81 | 95.7 Ų | 95.7 | 42% | 0.415 | 51% | 0.506 | S | S | . | . | H | α-helix | 0 | -17.6 | 0 | -73.1 | 178.5 | 0 | 0 | 0 | 109.4 | L1361 E1362 L1368 T1369 | L1361-I1365 VanDerWaalsContact C-CG1 3.47Å; L1361-I1365 HydrophobicContact CB-CD1 4.5Å; L1361-I1365 WeakPolarHBondContact O-CA 3.28Å; L1361-I1365 WeakPolarHBondContact O-CB 3.49Å; L1361-I1365 WeakPolarHBondContact O-CD1 3.34Å; L1361-I1365 WeakPolarHBondContact O-CG1 3.35Å; L1361-I1365 PolarHBondContact O-N 2.38Å; E1362-I1365 HydrophobicContact CG-CD1 4.37Å; E1362-I1365 CarbonylContact O-C 3.23Å; E1362-I1365 WeakPolarHBondContact O-CB 3.22Å; I1365-L1368 CarbonylContact O-C 3.07Å; I1365-T1369 WeakPolarHBondContact CA-OG1 3.28Å; I1365-T1369 WeakPolarHBondContact CG2-OG1 3.37Å; I1365-T1369 WeakPolarHBondContact O-CA 3.33Å; I1365-T1369 WeakPolarHBondContact O-CB 3.48Å; I1365-T1369 PolarHBondContact O-N 2.59Å; I1365-T1369 CovalentContact O-OG1 1.27Å; I1365-T1369 PolarHBondContact O-OG1 2.85Å | |
| 1366 | I | 63.9 | Low | 57.7 | Low | 108 Ų | 108 | 95.2 Ų | 95.2 | 55% | 0.554 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -91.7 | -23.1 | 173.8 | -70.8 | 171.9 | 0 | 0 | 0 | 109 | E1362 T1369 T1370 | E1362-I1366 WeakPolarHBondContact O-CB 3.27Å; E1362-I1366 WeakPolarHBondContact O-CD1 3.49Å; E1362-I1366 WeakPolarHBondContact O-CG1 3.29Å; E1362-I1366 PolarHBondContact O-N 3.04Å; I1366-T1369 WeakPolarHBondContact CA-OG1 3.45Å; I1366-T1369 PolarHBondContact N-OG1 2.82Å; I1366-T1369 PolarHBondContact O-N 2.87Å; I1366-T1370 PolarHBondContact O-N 2.89Å; I1366-T1370 PolarHBondContact O-OG1 3.15Å |
| 1367 | A | 58.3 | Low | 57.7 | Low | 61 Ų | 61 | 97 Ų | 97 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -84 | -23.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | H1364 | H1364-A1367 PolarHBondContact O-N 3.43Å |
| 1368 | L | 55.3 | Low | 58 | Low | 91 Ų | 91 | 102.8 Ų | 102.8 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -89.6 | -15.3 | 167.6 | -98.7 | 148 | 0 | 0 | 0 | 110.5 | H1364 I1365 T1370 Q1371 M1372 | H1364-L1368 WeakPolarHBondContact O-CB 3.17Å; H1364-L1368 PolarHBondContact O-N 3.18Å; I1365-L1368 CarbonylContact O-C 3.07Å; L1368-T1370 VanDerWaalsContact C-N 3.31Å; L1368-T1370 PolarHBondContact O-N 3.46Å; L1368-Q1371 CarbonylContact O-C 3.42Å; L1368-Q1371 PolarHBondContact O-N 3.09Å; L1368-M1372 VanDerWaalsContact O-CA 3.24Å; L1368-M1372 WeakPolarHBondContact O-CA 3.38Å; L1368-M1372 WeakPolarHBondContact O-CB 3.2Å; L1368-M1372 WeakPolarHBondContact O-CG 3.43Å; L1368-M1372 PolarHBondContact O-N 3.39Å |
| 1369 | T | 59 | Low | 58.3 | Low | 33 Ų | 33 | 100.3 Ų | 100.3 | 20% | 0.202 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -82.7 | -10.7 | 175.5 | -33.7 | 0 | 0 | 0 | 0 | 109.8 | I1365 I1366 Q1373 | I1365-T1369 WeakPolarHBondContact CA-OG1 3.28Å; I1365-T1369 WeakPolarHBondContact CG2-OG1 3.37Å; I1365-T1369 WeakPolarHBondContact O-CA 3.33Å; I1365-T1369 WeakPolarHBondContact O-CB 3.48Å; I1365-T1369 PolarHBondContact O-N 2.59Å; I1365-T1369 CovalentContact O-OG1 1.27Å; I1365-T1369 PolarHBondContact O-OG1 2.85Å; I1366-T1369 WeakPolarHBondContact CA-OG1 3.45Å; I1366-T1369 PolarHBondContact N-OG1 2.82Å; I1366-T1369 PolarHBondContact O-N 2.87Å; T1369-Q1373 VanDerWaalsContact O-CG 3.3Å; T1369-Q1373 WeakPolarHBondContact O-CG 3.41Å; T1369-Q1373 PolarHBondContact O-N 3.26Å; T1369-Q1373 VanDerWaalsContact O-N 3.11Å |
| 1370 | T | 59.4 | Low | 58.3 | Low | 90 Ų | 90 | 103.3 Ų | 103.3 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -101.2 | -18.6 | 171 | -29.8 | 0 | 0 | 0 | 0 | 109.7 | I1366 L1368 | I1366-T1370 PolarHBondContact O-N 2.89Å; I1366-T1370 PolarHBondContact O-OG1 3.15Å; L1368-T1370 VanDerWaalsContact C-N 3.31Å; L1368-T1370 PolarHBondContact O-N 3.46Å |
| 1371 | Q | 59.8 | Low | 58.5 | Low | 153 Ų | 153 | 107.5 Ų | 107.5 | 72% | 0.715 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -92.7 | 0 | 166.5 | -84.9 | -176.4 | 3.7 | 0 | 0 | 110.7 | L1368 | L1368-Q1371 CarbonylContact O-C 3.42Å; L1368-Q1371 PolarHBondContact O-N 3.09Å |
| 1372 | M | 54.1 | Low | 58.8 | Low | 78 Ų | 78 | 107.1 Ų | 107.1 | 38% | 0.384 | 54% | 0.538 | S | S | . | . | H | α-helix | 0 | -13.4 | 0 | -99.5 | -159.6 | 59.1 | 0 | 0 | 110 | L1368 A1375 K1376 | L1368-M1372 VanDerWaalsContact O-CA 3.24Å; L1368-M1372 WeakPolarHBondContact O-CA 3.38Å; L1368-M1372 WeakPolarHBondContact O-CB 3.2Å; L1368-M1372 WeakPolarHBondContact O-CG 3.43Å; L1368-M1372 PolarHBondContact O-N 3.39Å; M1372-A1375 CarbonylContact O-C 3Å; M1372-A1375 PolarHBondContact O-N 2.66Å; M1372-K1376 HydrophobicContact CE-CG 4.19Å; M1372-K1376 WeakPolarHBondContact O-CA 2.89Å; M1372-K1376 WeakPolarHBondContact O-CB 3.43Å; M1372-K1376 WeakPolarHBondContact O-CG 2.58Å; M1372-K1376 PolarHBondContact O-N 3.5Å | |
| 1373 | Q | 58.2 | Low | 59 | Low | 121 Ų | 121 | 106 Ų | 106 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -84.8 | -19.2 | 175.5 | -92.3 | -178 | -11.1 | 0 | 0 | 110.1 | T1369 K1376 | T1369-Q1373 VanDerWaalsContact O-CG 3.3Å; T1369-Q1373 WeakPolarHBondContact O-CG 3.41Å; T1369-Q1373 PolarHBondContact O-N 3.26Å; T1369-Q1373 VanDerWaalsContact O-N 3.11Å; Q1373-K1376 HydrophobicContact CG-CD 4.25Å |
| 1374 | D | 58.5 | Low | 59.3 | Low | 148 Ų | 148 | 104.1 Ų | 104.1 | 79% | 0.791 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -92.4 | 0 | 169.3 | -84.6 | -12 | 0 | 0 | 0 | 110.4 | ||
| 1375 | A | 56.9 | Low | 59.7 | Low | 44 Ų | 44 | 104.3 Ų | 104.3 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | H | α-helix | 0 | -10.8 | 0 | 0 | 0 | 0 | 0 | 0 | 110.7 | M1372 K1378 V1379 | M1372-A1375 CarbonylContact O-C 3Å; M1372-A1375 PolarHBondContact O-N 2.66Å; A1375-K1378 PolarHBondContact O-N 2.84Å; A1375-V1379 HydrophobicContact CB-CG2 4.48Å; A1375-V1379 WeakPolarHBondContact O-CA 3.49Å; A1375-V1379 WeakPolarHBondContact O-CB 3.12Å; A1375-V1379 WeakPolarHBondContact O-CG2 2.89Å; A1375-V1379 PolarHBondContact O-N 3.38Å | |
| 1376 | K | 56.8 | Low | 60.2 | Low | 82 Ų | 82 | 105.2 Ų | 105.2 | 36% | 0.357 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -84.6 | 0 | 178.7 | -119.2 | -179.3 | 179.4 | 179.7 | 0 | 109.9 | M1372 Q1373 E1380 | M1372-K1376 HydrophobicContact CE-CG 4.19Å; M1372-K1376 WeakPolarHBondContact O-CA 2.89Å; M1372-K1376 WeakPolarHBondContact O-CB 3.43Å; M1372-K1376 WeakPolarHBondContact O-CG 2.58Å; M1372-K1376 PolarHBondContact O-N 3.5Å; Q1373-K1376 HydrophobicContact CG-CD 4.25Å; K1376-E1380 WeakPolarHBondContact O-CB 3.08Å; K1376-E1380 WeakPolarHBondContact O-CG 3.44Å; K1376-E1380 PolarHBondContact O-N 3.5Å |
| 1377 | K | 59.1 | Low | 60.4 | Low | 173 Ų | 173 | 105.7 Ų | 105.7 | 75% | 0.752 | 54% | 0.536 | S | S | * | . | H | α-helix | 0 | -14.1 | 0 | -109.3 | -177.2 | -179.6 | -178.4 | 0 | 110.5 | |||
| 1378 | K | 62 | Low | 61.1 | Low | 162 Ų | 162 | 106.5 Ų | 106.5 | 70% | 0.704 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -100.4 | -17.3 | 172.4 | -129.9 | 178.5 | -179.4 | 178.6 | 0 | 110.8 | A1375 D1382 | A1375-K1378 PolarHBondContact O-N 2.84Å; K1378-D1382 PolarHBondContact O-N 3.33Å |
| 1379 | V | 60.1 | Low | 61.8 | Low | 67 Ų | 67 | 108 Ų | 108 | 41% | 0.406 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -91.5 | 0 | 176.6 | 168.6 | 0 | 0 | 0 | 0 | 108.9 | A1375 D1382 T1383 | A1375-V1379 HydrophobicContact CB-CG2 4.48Å; A1375-V1379 WeakPolarHBondContact O-CA 3.49Å; A1375-V1379 WeakPolarHBondContact O-CB 3.12Å; A1375-V1379 WeakPolarHBondContact O-CG2 2.89Å; A1375-V1379 PolarHBondContact O-N 3.38Å; V1379-D1382 CarbonylContact O-C 3.19Å; V1379-D1382 PolarHBondContact O-N 2.96Å; V1379-T1383 HydrophobicContact CG1-CG2 3.86Å; V1379-T1383 WeakPolarHBondContact O-CA 3.5Å; V1379-T1383 WeakPolarHBondContact O-CB 2.91Å; V1379-T1383 VanDerWaalsContact O-CG2 3.32Å; V1379-T1383 WeakPolarHBondContact O-CG2 3.47Å; V1379-T1383 PolarHBondContact O-N 3Å; V1379-T1383 PolarHBondContact O-OG1 3.12Å |
| 1380 | E | 59.8 | Low | 62.4 | Low | 128 Ų | 128 | 111.3 Ų | 111.3 | 60% | 0.598 | 56% | 0.556 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -89.6 | 178.4 | 179.5 | 0 | 0 | 109.7 | K1376 T1383 H1384 | K1376-E1380 WeakPolarHBondContact O-CB 3.08Å; K1376-E1380 WeakPolarHBondContact O-CG 3.44Å; K1376-E1380 PolarHBondContact O-N 3.5Å; E1380-T1383 WeakPolarHBondContact CA-OG1 2.99Å; E1380-T1383 PolarHBondContact N-OG1 3.38Å; E1380-T1383 PolarHBondContact O-OG1 2.79Å; E1380-T1383 VanDerWaalsContact O-OG1 3.04Å; E1380-H1384 PolarHBondContact O-N 3.23Å | |
| 1381 | E | 61.5 | Low | 63.1 | Low | 151 Ų | 151 | 112.3 Ų | 112.3 | 71% | 0.706 | 56% | 0.558 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -84.5 | 179.2 | 177.9 | 0 | 0 | 110.7 | |||
| 1382 | D | 61.3 | Low | 63.8 | Low | 99 Ų | 99 | 107.1 Ų | 107.1 | 53% | 0.529 | 54% | 0.542 | S | S | . | . | H | α-helix | 0 | -15.4 | 0 | -79.6 | -11.8 | 0 | 0 | 0 | 110.8 | K1378 V1379 H1385 L1386 | K1378-D1382 PolarHBondContact O-N 3.33Å; V1379-D1382 CarbonylContact O-C 3.19Å; V1379-D1382 PolarHBondContact O-N 2.96Å; D1382-H1385 PolarHBondContact O-N 2.2Å; D1382-L1386 WeakPolarHBondContact O-CB 2.74Å; D1382-L1386 PolarHBondContact O-N 3.2Å | |
| 1383 | T | 61.3 | Low | 65 | Low | 63 Ų | 63 | 111.7 Ų | 111.7 | 39% | 0.387 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -84.7 | 0 | 176.3 | 18.3 | 0 | 0 | 0 | 0 | 109.5 | V1379 E1380 L1386 E1387 | V1379-T1383 HydrophobicContact CG1-CG2 3.86Å; V1379-T1383 WeakPolarHBondContact O-CA 3.5Å; V1379-T1383 WeakPolarHBondContact O-CB 2.91Å; V1379-T1383 VanDerWaalsContact O-CG2 3.32Å; V1379-T1383 WeakPolarHBondContact O-CG2 3.47Å; V1379-T1383 PolarHBondContact O-N 3Å; V1379-T1383 PolarHBondContact O-OG1 3.12Å; E1380-T1383 WeakPolarHBondContact CA-OG1 2.99Å; E1380-T1383 PolarHBondContact N-OG1 3.38Å; E1380-T1383 PolarHBondContact O-OG1 2.79Å; E1380-T1383 VanDerWaalsContact O-OG1 3.04Å; T1383-L1386 PolarHBondContact O-N 3.13Å; T1383-E1387 WeakPolarHBondContact O-CB 3.23Å; T1383-E1387 PolarHBondContact O-N 3.4Å |
| 1384 | H | 65.8 | Low | 65.9 | Low | 126 Ų | 126 | 112.1 Ų | 112.1 | 58% | 0.583 | 55% | 0.554 | S | S | * | * | H | α-helix | 0 | -28.1 | 0 | -147.6 | -9.1 | 0 | 0 | 0 | 110.4 | E1380 T1388 | E1380-H1384 PolarHBondContact O-N 3.23Å; H1384-T1388 PolarHBondContact O-N 2.54Å; H1384-T1388 PolarHBondContact O-OG1 3.48Å; H1384-T1388 VanDerWaalsContact O-OG1 3.14Å | |
| 1385 | H | 67.3 | Low | 66.9 | Low | 131 Ų | 131 | 112.1 Ų | 112.1 | 61% | 0.606 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -80.7 | -25.9 | 174.7 | -88.1 | -16.6 | 0 | 0 | 0 | 111.1 | D1382 T1388 L1389 | D1382-H1385 PolarHBondContact O-N 2.2Å; H1385-T1388 VanDerWaalsContact C-OG1 3.32Å; H1385-T1388 VanDerWaalsContact CA-OG1 3.28Å; H1385-T1388 WeakPolarHBondContact CA-OG1 2.88Å; H1385-T1388 PolarHBondContact O-OG1 3.23Å; H1385-L1389 WeakPolarHBondContact O-CB 3Å; H1385-L1389 PolarHBondContact O-N 3.29Å |
| 1386 | L | 65.7 | Low | 67.8 | Low | 101 Ų | 101 | 115.4 Ų | 115.4 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -81.8 | -24 | 175.7 | -127.7 | 134.8 | 0 | 0 | 0 | 110.6 | D1382 T1383 L1389 E1390 | D1382-L1386 WeakPolarHBondContact O-CB 2.74Å; D1382-L1386 PolarHBondContact O-N 3.2Å; T1383-L1386 PolarHBondContact O-N 3.13Å; L1386-L1389 PolarHBondContact O-N 3.2Å; L1386-E1390 WeakPolarHBondContact O-CA 3.23Å; L1386-E1390 WeakPolarHBondContact O-CB 2.58Å; L1386-E1390 PolarHBondContact O-N 3.48Å |
| 1387 | E | 68.8 | Low | 68.9 | Low | 118 Ų | 118 | 116.2 Ų | 116.2 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -77.7 | 0 | 173.7 | -97.5 | 178.5 | -179.6 | 0 | 0 | 110.2 | T1383 D1391 | T1383-E1387 WeakPolarHBondContact O-CB 3.23Å; T1383-E1387 PolarHBondContact O-N 3.4Å; E1387-D1391 WeakPolarHBondContact O-CB 2.9Å; E1387-D1391 PolarHBondContact O-N 2.68Å |
| 1388 | T | 72.1 | Confident | 69.9 | Low | 78 Ų | 78 | 116.2 Ų | 116.2 | 48% | 0.479 | 56% | 0.558 | S | S | . | * | H | α-helix | 0 | 0 | 0 | 44 | 0 | 0 | 0 | 0 | 110.2 | H1384 H1385 A1392 | H1384-T1388 PolarHBondContact O-N 2.54Å; H1384-T1388 PolarHBondContact O-OG1 3.48Å; H1384-T1388 VanDerWaalsContact O-OG1 3.14Å; H1385-T1388 VanDerWaalsContact C-OG1 3.32Å; H1385-T1388 VanDerWaalsContact CA-OG1 3.28Å; H1385-T1388 WeakPolarHBondContact CA-OG1 2.88Å; H1385-T1388 PolarHBondContact O-OG1 3.23Å; T1388-A1392 WeakPolarHBondContact O-CB 3.35Å; T1388-A1392 PolarHBondContact O-N 3.43Å | |
| 1389 | L | 71.1 | Confident | 70.7 | Confident | 121 Ų | 121 | 114 Ų | 114 | 63% | 0.634 | 55% | 0.551 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -90.2 | 162.8 | 0 | 0 | 0 | 111 | H1385 L1386 A1392 R1393 | H1385-L1389 WeakPolarHBondContact O-CB 3Å; H1385-L1389 PolarHBondContact O-N 3.29Å; L1386-L1389 PolarHBondContact O-N 3.2Å; L1389-A1392 PolarHBondContact O-N 2.97Å; L1389-R1393 VanDerWaalsContact O-CB 3.29Å; L1389-R1393 WeakPolarHBondContact O-CB 2.53Å; L1389-R1393 PolarHBondContact O-N 3.04Å | |
| 1390 | E | 70.7 | Confident | 71.6 | Confident | 104 Ų | 104 | 114.8 Ų | 114.8 | 49% | 0.486 | 55% | 0.552 | S | S | . | * | H | α-helix | 0 | 0 | 0 | -107.7 | 177.2 | 178.5 | 0 | 0 | 110.5 | L1386 K1394 | L1386-E1390 WeakPolarHBondContact O-CA 3.23Å; L1386-E1390 WeakPolarHBondContact O-CB 2.58Å; L1386-E1390 PolarHBondContact O-N 3.48Å; E1390-K1394 WeakPolarHBondContact O-CB 3.49Å; E1390-K1394 WeakPolarHBondContact O-CG 3.28Å; E1390-K1394 PolarHBondContact O-N 3.42Å | |
| 1391 | D | 74.1 | Confident | 72.7 | Confident | 110 Ų | 110 | 112 Ų | 112 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -86 | -12.2 | 0 | 0 | 0 | 110 | E1387 K1395 | E1387-D1391 WeakPolarHBondContact O-CB 2.9Å; E1387-D1391 PolarHBondContact O-N 2.68Å; D1391-K1395 WeakPolarHBondContact O-CB 3.31Å; D1391-K1395 PolarHBondContact O-N 3.5Å | |
| 1392 | A | 75.5 | Confident | 73.7 | Confident | 45 Ų | 45 | 110 Ų | 110 | 37% | 0.372 | 54% | 0.536 | S | S | . | . | H | α-helix | 0 | -34.3 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1388 L1389 K1395 L1396 | T1388-A1392 WeakPolarHBondContact O-CB 3.35Å; T1388-A1392 PolarHBondContact O-N 3.43Å; L1389-A1392 PolarHBondContact O-N 2.97Å; A1392-K1395 PolarHBondContact O-N 3.4Å; A1392-L1396 WeakPolarHBondContact O-CB 3.33Å; A1392-L1396 PolarHBondContact O-N 2.53Å | |
| 1393 | R | 78.3 | Confident | 74.6 | Confident | 173 Ų | 173 | 109.5 Ų | 109.5 | 65% | 0.653 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.2 | 0 | 174.7 | -168.1 | -176.6 | 139.5 | 161.1 | -1.7 | 111.4 | L1389 K1395 L1396 Q1397 | L1389-R1393 VanDerWaalsContact O-CB 3.29Å; L1389-R1393 WeakPolarHBondContact O-CB 2.53Å; L1389-R1393 PolarHBondContact O-N 3.04Å; R1393-K1395 VanDerWaalsContact C-N 3.33Å; R1393-L1396 PolarHBondContact O-N 3.41Å; R1393-Q1397 WeakPolarHBondContact O-CB 3.01Å; R1393-Q1397 PolarHBondContact O-N 3.02Å |
| 1394 | K | 77.6 | Confident | 75.5 | Confident | 130 Ų | 130 | 113.6 Ų | 113.6 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -85.8 | -174.4 | -177 | 179.1 | 0 | 110.3 | E1390 R1398 | E1390-K1394 WeakPolarHBondContact O-CB 3.49Å; E1390-K1394 WeakPolarHBondContact O-CG 3.28Å; E1390-K1394 PolarHBondContact O-N 3.42Å; K1394-R1398 WeakPolarHBondContact O-CB 3.48Å; K1394-R1398 VanDerWaalsContact O-CG 3.25Å; K1394-R1398 WeakPolarHBondContact O-CG 3.16Å; K1394-R1398 PolarHBondContact O-N 2.78Å | |
| 1395 | K | 78.6 | Confident | 76.3 | Confident | 148 Ų | 148 | 111.8 Ų | 111.8 | 64% | 0.643 | 54% | 0.539 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -117.8 | 179.9 | -177.4 | -179 | 0 | 110.6 | D1391 A1392 R1393 R1398 E1399 | D1391-K1395 WeakPolarHBondContact O-CB 3.31Å; D1391-K1395 PolarHBondContact O-N 3.5Å; A1392-K1395 PolarHBondContact O-N 3.4Å; R1393-K1395 VanDerWaalsContact C-N 3.33Å; K1395-R1398 PolarHBondContact O-N 3.4Å; K1395-E1399 WeakPolarHBondContact O-CG 3.44Å; K1395-E1399 PolarHBondContact O-N 2.79Å | |
| 1396 | L | 76.3 | Confident | 77.1 | Confident | 113 Ų | 113 | 113.9 Ų | 113.9 | 59% | 0.592 | 54% | 0.542 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -89.4 | 155 | 0 | 0 | 0 | 110.7 | A1392 R1393 E1399 L1400 | A1392-L1396 WeakPolarHBondContact O-CB 3.33Å; A1392-L1396 PolarHBondContact O-N 2.53Å; R1393-L1396 PolarHBondContact O-N 3.41Å; L1396-E1399 PolarHBondContact O-N 3.49Å; L1396-L1400 WeakPolarHBondContact O-CB 3.49Å; L1396-L1400 PolarHBondContact O-N 2.66Å | |
| 1397 | Q | 79.8 | Confident | 77.8 | Confident | 99 Ų | 99 | 114.1 Ų | 114.1 | 46% | 0.463 | 54% | 0.544 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -166 | 131.9 | -1.7 | 0 | 0 | 111.1 | R1393 L1400 D1401 | R1393-Q1397 WeakPolarHBondContact O-CB 3.01Å; R1393-Q1397 PolarHBondContact O-N 3.02Å; Q1397-L1400 PolarHBondContact O-N 2.95Å; Q1397-D1401 WeakPolarHBondContact O-CB 3.4Å; Q1397-D1401 VanDerWaalsContact O-CG 3.23Å; Q1397-D1401 PolarHBondContact O-N 3.16Å | |
| 1398 | R | 79.8 | Confident | 78.5 | Confident | 173 Ų | 173 | 114.5 Ų | 114.5 | 65% | 0.653 | 55% | 0.545 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -82.8 | -177.1 | -170.5 | 160.3 | 0.7 | 110.1 | K1394 K1395 D1401 D1402 | K1394-R1398 WeakPolarHBondContact O-CB 3.48Å; K1394-R1398 VanDerWaalsContact O-CG 3.25Å; K1394-R1398 WeakPolarHBondContact O-CG 3.16Å; K1394-R1398 PolarHBondContact O-N 2.78Å; K1395-R1398 PolarHBondContact O-N 3.4Å; R1398-D1401 PolarHBondContact O-N 3.09Å; R1398-D1402 WeakPolarHBondContact O-CB 3.49Å; R1398-D1402 PolarHBondContact O-N 3.32Å | |
| 1399 | E | 79.5 | Confident | 78.9 | Confident | 117 Ų | 117 | 116.7 Ų | 116.7 | 55% | 0.547 | 55% | 0.55 | S | S | . | . | H | α-helix | 0 | -35.3 | 0 | -78.4 | 179.9 | 178.1 | 0 | 0 | 110.8 | K1395 L1396 D1402 T1403 | K1395-E1399 WeakPolarHBondContact O-CG 3.44Å; K1395-E1399 PolarHBondContact O-N 2.79Å; L1396-E1399 PolarHBondContact O-N 3.49Å; E1399-D1402 PolarHBondContact O-N 3.38Å; E1399-T1403 WeakPolarHBondContact O-CB 3.32Å; E1399-T1403 WeakPolarHBondContact O-CG2 3.28Å; E1399-T1403 PolarHBondContact O-N 3.27Å; E1399-T1403 PolarHBondContact O-OG1 2.83Å | |
| 1400 | L | 79.4 | Confident | 79.5 | Confident | 82 Ų | 82 | 115.1 Ų | 115.1 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.2 | 0 | 176.4 | -159.7 | 130.4 | 0 | 0 | 0 | 110.5 | L1396 Q1397 T1403 R1404 | L1396-L1400 WeakPolarHBondContact O-CB 3.49Å; L1396-L1400 PolarHBondContact O-N 2.66Å; Q1397-L1400 PolarHBondContact O-N 2.95Å; L1400-T1403 VanDerWaalsContact C-OG1 3.22Å; L1400-T1403 WeakPolarHBondContact CA-OG1 3.39Å; L1400-T1403 PolarHBondContact O-N 3.39Å; L1400-T1403 PolarHBondContact O-OG1 2.79Å; L1400-R1404 VanDerWaalsContact O-CB 3.29Å; L1400-R1404 WeakPolarHBondContact O-CB 3.39Å; L1400-R1404 PolarHBondContact O-N 2.98Å |
| 1401 | D | 83.1 | Confident | 80.2 | Confident | 71 Ų | 71 | 113.7 Ų | 113.7 | 38% | 0.38 | 54% | 0.54 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -77.4 | -16.7 | 0 | 0 | 0 | 110.9 | Q1397 R1398 R1404 N1405 | Q1397-D1401 WeakPolarHBondContact O-CB 3.4Å; Q1397-D1401 VanDerWaalsContact O-CG 3.23Å; Q1397-D1401 PolarHBondContact O-N 3.16Å; R1398-D1401 PolarHBondContact O-N 3.09Å; D1401-R1404 PolarHBondContact O-N 3.37Å; D1401-N1405 WeakPolarHBondContact O-CB 3.31Å; D1401-N1405 PolarHBondContact O-N 2.81Å; D1401-N1405 PolarHBondContact O-ND2 3.15Å | |
| 1402 | D | 81.9 | Confident | 80.7 | Confident | 108 Ų | 108 | 110.6 Ų | 110.6 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -77.8 | -11.9 | 0 | 0 | 0 | 110 | R1398 E1399 N1405 R1406 | R1398-D1402 WeakPolarHBondContact O-CB 3.49Å; R1398-D1402 PolarHBondContact O-N 3.32Å; E1399-D1402 PolarHBondContact O-N 3.38Å; D1402-N1405 PolarHBondContact O-N 3.32Å; D1402-R1406 WeakPolarHBondContact O-CB 3.16Å; D1402-R1406 PolarHBondContact O-N 3.43Å | |
| 1403 | T | 79.6 | Confident | 80.9 | Confident | 88 Ų | 88 | 113.8 Ų | 113.8 | 54% | 0.54 | 53% | 0.534 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 49.2 | 0 | 0 | 0 | 0 | 110.7 | E1399 L1400 R1406 N1407 | E1399-T1403 WeakPolarHBondContact O-CB 3.32Å; E1399-T1403 WeakPolarHBondContact O-CG2 3.28Å; E1399-T1403 PolarHBondContact O-N 3.27Å; E1399-T1403 PolarHBondContact O-OG1 2.83Å; L1400-T1403 VanDerWaalsContact C-OG1 3.22Å; L1400-T1403 WeakPolarHBondContact CA-OG1 3.39Å; L1400-T1403 PolarHBondContact O-N 3.39Å; L1400-T1403 PolarHBondContact O-OG1 2.79Å; T1403-R1406 PolarHBondContact O-N 2.88Å; T1403-N1407 WeakPolarHBondContact O-CB 3.49Å; T1403-N1407 PolarHBondContact O-N 3.38Å | |
| 1404 | R | 81.4 | Confident | 81.2 | Confident | 149 Ų | 149 | 109.3 Ų | 109.3 | 56% | 0.562 | 53% | 0.526 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -100.5 | -176.4 | -174.1 | 143.5 | 0.4 | 111.1 | L1400 D1401 R1406 N1407 E1408 | L1400-R1404 VanDerWaalsContact O-CB 3.29Å; L1400-R1404 WeakPolarHBondContact O-CB 3.39Å; L1400-R1404 PolarHBondContact O-N 2.98Å; D1401-R1404 PolarHBondContact O-N 3.37Å; R1404-R1406 VanDerWaalsContact C-N 3.35Å; R1404-N1407 PolarHBondContact O-N 2.66Å; R1404-E1408 WeakPolarHBondContact O-CB 3.48Å; R1404-E1408 WeakPolarHBondContact O-CG 3.45Å; R1404-E1408 PolarHBondContact O-N 3.45Å | |
| 1405 | N | 82.4 | Confident | 81.5 | Confident | 88 Ų | 88 | 108.1 Ų | 108.1 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | 0 | -36.6 | 0 | -76.6 | -16.3 | 0 | 0 | 0 | 110.7 | D1401 D1402 E1408 E1409 | D1401-N1405 WeakPolarHBondContact O-CB 3.31Å; D1401-N1405 PolarHBondContact O-N 2.81Å; D1401-N1405 PolarHBondContact O-ND2 3.15Å; D1402-N1405 PolarHBondContact O-N 3.32Å; N1405-E1408 PolarHBondContact O-N 3.1Å; N1405-E1409 WeakPolarHBondContact O-CB 2.9Å; N1405-E1409 PolarHBondContact O-N 3.3Å | |
| 1406 | R | 83.2 | Confident | 81.6 | Confident | 176 Ų | 176 | 107.9 Ų | 107.9 | 66% | 0.664 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.5 | 0 | 177.2 | -164.6 | 139.4 | 178.5 | 118.9 | -1 | 110.3 | D1402 T1403 R1404 E1409 L1410 | D1402-R1406 WeakPolarHBondContact O-CB 3.16Å; D1402-R1406 PolarHBondContact O-N 3.43Å; T1403-R1406 PolarHBondContact O-N 2.88Å; R1404-R1406 VanDerWaalsContact C-N 3.35Å; R1406-E1409 PolarHBondContact O-N 2.44Å; R1406-L1410 WeakPolarHBondContact O-CG 3.43Å; R1406-L1410 PolarHBondContact O-N 3.43Å |
| 1407 | N | 79.7 | Confident | 81.7 | Confident | 106 Ų | 106 | 108.2 Ų | 108.2 | 57% | 0.567 | 52% | 0.523 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -132.3 | -19 | 0 | 0 | 0 | 112.1 | T1403 R1404 L1410 V1411 | T1403-N1407 WeakPolarHBondContact O-CB 3.49Å; T1403-N1407 PolarHBondContact O-N 3.38Å; R1404-N1407 PolarHBondContact O-N 2.66Å; N1407-L1410 PolarHBondContact O-N 3.46Å; N1407-V1411 WeakPolarHBondContact O-CB 3.33Å; N1407-V1411 WeakPolarHBondContact O-CG2 3.32Å; N1407-V1411 PolarHBondContact O-N 3.27Å | |
| 1408 | E | 83.2 | Confident | 81.7 | Confident | 126 Ų | 126 | 108.3 Ų | 108.3 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -82.9 | 176.7 | -177.2 | 0 | 0 | 110.9 | R1404 N1405 V1411 S1412 | R1404-E1408 WeakPolarHBondContact O-CB 3.48Å; R1404-E1408 WeakPolarHBondContact O-CG 3.45Å; R1404-E1408 PolarHBondContact O-N 3.45Å; N1405-E1408 PolarHBondContact O-N 3.1Å; E1408-V1411 PolarHBondContact O-N 3.43Å; E1408-S1412 VanDerWaalsContact O-CB 3.24Å; E1408-S1412 WeakPolarHBondContact O-CB 2.97Å; E1408-S1412 PolarHBondContact O-N 2.99Å | |
| 1409 | E | 81.5 | Confident | 81.8 | Confident | 123 Ų | 123 | 107.3 Ų | 107.3 | 58% | 0.575 | 52% | 0.524 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -99.3 | 177.2 | -177.2 | 0 | 0 | 110.6 | N1405 R1406 S1412 Q1413 | N1405-E1409 WeakPolarHBondContact O-CB 2.9Å; N1405-E1409 PolarHBondContact O-N 3.3Å; R1406-E1409 PolarHBondContact O-N 2.44Å; E1409-S1412 PolarHBondContact O-N 3.06Å; E1409-Q1413 WeakPolarHBondContact O-CB 3.46Å; E1409-Q1413 WeakPolarHBondContact O-CG 3.38Å; E1409-Q1413 PolarHBondContact O-N 3.02Å | |
| 1410 | L | 83.5 | Confident | 81.4 | Confident | 89 Ų | 89 | 104.4 Ų | 104.4 | 47% | 0.466 | 52% | 0.517 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -77.3 | 171.1 | 0 | 0 | 0 | 110.4 | R1406 N1407 Q1413 V1414 | R1406-L1410 WeakPolarHBondContact O-CG 3.43Å; R1406-L1410 PolarHBondContact O-N 3.43Å; N1407-L1410 PolarHBondContact O-N 3.46Å; L1410-Q1413 PolarHBondContact O-N 3.43Å; L1410-V1414 WeakPolarHBondContact O-CG2 3.36Å; L1410-V1414 PolarHBondContact O-N 3.43Å | |
| 1411 | V | 86.7 | Confident | 81.4 | Confident | 74 Ų | 74 | 106.1 Ų | 106.1 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | 0 | -42.9 | 0 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | N1407 E1408 Q1413 V1414 E1415 | N1407-V1411 WeakPolarHBondContact O-CB 3.33Å; N1407-V1411 WeakPolarHBondContact O-CG2 3.32Å; N1407-V1411 PolarHBondContact O-N 3.27Å; E1408-V1411 PolarHBondContact O-N 3.43Å; V1411-Q1413 VanDerWaalsContact C-N 3.34Å; V1411-V1414 PolarHBondContact O-N 3.25Å; V1411-E1415 WeakPolarHBondContact O-CB 3.45Å; V1411-E1415 PolarHBondContact O-N 2.61Å | |
| 1412 | S | 82.6 | Confident | 81.1 | Confident | 45 Ų | 45 | 109.2 Ų | 109.2 | 32% | 0.315 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | 0 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | E1408 E1409 E1415 K1416 | E1408-S1412 VanDerWaalsContact O-CB 3.24Å; E1408-S1412 WeakPolarHBondContact O-CB 2.97Å; E1408-S1412 PolarHBondContact O-N 2.99Å; E1409-S1412 PolarHBondContact O-N 3.06Å; S1412-E1415 PolarHBondContact O-N 3.38Å; S1412-K1416 VanDerWaalsContact O-CB 3.31Å; S1412-K1416 WeakPolarHBondContact O-CB 3.41Å; S1412-K1416 WeakPolarHBondContact O-CG 3.11Å; S1412-K1416 PolarHBondContact O-N 3.26Å |
| 1413 | Q | 81.4 | Confident | 80.7 | Confident | 112 Ų | 112 | 110.6 Ų | 110.6 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -86.4 | -178.6 | 9.5 | 0 | 0 | 110.4 | E1409 L1410 V1411 K1416 L1417 | E1409-Q1413 WeakPolarHBondContact O-CB 3.46Å; E1409-Q1413 WeakPolarHBondContact O-CG 3.38Å; E1409-Q1413 PolarHBondContact O-N 3.02Å; L1410-Q1413 PolarHBondContact O-N 3.43Å; V1411-Q1413 VanDerWaalsContact C-N 3.34Å; Q1413-K1416 PolarHBondContact O-N 3.16Å; Q1413-L1417 WeakPolarHBondContact O-CB 3.44Å; Q1413-L1417 VanDerWaalsContact O-CG 3.25Å; Q1413-L1417 WeakPolarHBondContact O-CG 3.42Å; Q1413-L1417 PolarHBondContact O-N 3.03Å | |
| 1414 | V | 84.5 | Confident | 80.2 | Confident | 79 Ų | 79 | 111.6 Ų | 111.6 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 170 | 0 | 0 | 0 | 0 | 109.9 | L1410 V1411 K1416 L1417 E1418 | L1410-V1414 WeakPolarHBondContact O-CG2 3.36Å; L1410-V1414 PolarHBondContact O-N 3.43Å; V1411-V1414 PolarHBondContact O-N 3.25Å; V1414-K1416 VanDerWaalsContact C-N 3.34Å; V1414-L1417 PolarHBondContact O-N 2.46Å; V1414-E1418 WeakPolarHBondContact O-CB 3.47Å; V1414-E1418 PolarHBondContact O-N 3.27Å | |
| 1415 | E | 83.6 | Confident | 79.8 | Confident | 105 Ų | 105 | 107.5 Ų | 107.5 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -87.5 | -179.5 | 176.5 | 0 | 0 | 111.4 | V1411 S1412 E1418 K1419 | V1411-E1415 WeakPolarHBondContact O-CB 3.45Å; V1411-E1415 PolarHBondContact O-N 2.61Å; S1412-E1415 PolarHBondContact O-N 3.38Å; E1415-E1418 PolarHBondContact O-N 2.14Å; E1415-K1419 WeakPolarHBondContact O-CB 3.45Å; E1415-K1419 VanDerWaalsContact O-CG 3.28Å; E1415-K1419 WeakPolarHBondContact O-CG 3.26Å; E1415-K1419 PolarHBondContact O-N 3.24Å | |
| 1416 | K | 80 | Confident | 79.3 | Confident | 142 Ų | 142 | 105.9 Ų | 105.9 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -79.1 | -176.2 | -174.8 | 178.2 | 0 | 110.4 | S1412 Q1413 V1414 K1419 S1420 | S1412-K1416 VanDerWaalsContact O-CB 3.31Å; S1412-K1416 WeakPolarHBondContact O-CB 3.41Å; S1412-K1416 WeakPolarHBondContact O-CG 3.11Å; S1412-K1416 PolarHBondContact O-N 3.26Å; Q1413-K1416 PolarHBondContact O-N 3.16Å; V1414-K1416 VanDerWaalsContact C-N 3.34Å; K1416-K1419 PolarHBondContact O-N 2.87Å; K1416-S1420 VanDerWaalsContact O-CB 3.32Å; K1416-S1420 WeakPolarHBondContact O-CB 3.49Å; K1416-S1420 PolarHBondContact O-N 3.27Å | |
| 1417 | L | 79.2 | Confident | 78.5 | Confident | 120 Ų | 120 | 102.1 Ų | 102.1 | 63% | 0.628 | 50% | 0.503 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -76.8 | 172.6 | 0 | 0 | 0 | 110.3 | Q1413 V1414 S1420 R1421 | Q1413-L1417 WeakPolarHBondContact O-CB 3.44Å; Q1413-L1417 VanDerWaalsContact O-CG 3.25Å; Q1413-L1417 WeakPolarHBondContact O-CG 3.42Å; Q1413-L1417 PolarHBondContact O-N 3.03Å; V1414-L1417 PolarHBondContact O-N 2.46Å; L1417-S1420 PolarHBondContact O-N 2.95Å; L1417-S1420 PolarHBondContact O-OG 3.37Å; L1417-R1421 VanDerWaalsContact O-CB 3.3Å; L1417-R1421 WeakPolarHBondContact O-CB 3.49Å; L1417-R1421 PolarHBondContact O-N 2.84Å | |
| 1418 | E | 80.1 | Confident | 78 | Confident | 102 Ų | 102 | 100.2 Ų | 100.2 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -90.5 | -176.7 | 175.2 | 0 | 0 | 111.4 | V1414 E1415 R1421 K1422 | V1414-E1418 WeakPolarHBondContact O-CB 3.47Å; V1414-E1418 PolarHBondContact O-N 3.27Å; E1415-E1418 PolarHBondContact O-N 2.14Å; E1418-R1421 PolarHBondContact O-N 3.45Å; E1418-K1422 WeakPolarHBondContact O-CB 3.5Å; E1418-K1422 WeakPolarHBondContact O-CG 3.4Å; E1418-K1422 PolarHBondContact O-N 3.09Å | |
| 1419 | K | 80.1 | Confident | 77.5 | Confident | 152 Ų | 152 | 99.6 Ų | 99.6 | 66% | 0.661 | 49% | 0.489 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -81 | -175.7 | -175.3 | 177.5 | 0 | 110.5 | E1415 K1416 K1422 K1423 | E1415-K1419 WeakPolarHBondContact O-CB 3.45Å; E1415-K1419 VanDerWaalsContact O-CG 3.28Å; E1415-K1419 WeakPolarHBondContact O-CG 3.26Å; E1415-K1419 PolarHBondContact O-N 3.24Å; K1416-K1419 PolarHBondContact O-N 2.87Å; K1419-K1422 PolarHBondContact O-N 3.31Å; K1419-K1423 WeakPolarHBondContact O-CB 3.44Å; K1419-K1423 PolarHBondContact O-N 2.82Å | |
| 1420 | S | 72.2 | Confident | 77 | Confident | 56 Ų | 56 | 98.1 Ų | 98.1 | 39% | 0.392 | 49% | 0.485 | S | S | . | . | H | α-helix | 0 | -40.1 | 0 | 114.6 | 0 | 0 | 0 | 0 | 110.3 | K1416 L1417 K1423 L1424 | K1416-S1420 VanDerWaalsContact O-CB 3.32Å; K1416-S1420 WeakPolarHBondContact O-CB 3.49Å; K1416-S1420 PolarHBondContact O-N 3.27Å; L1417-S1420 PolarHBondContact O-N 2.95Å; L1417-S1420 PolarHBondContact O-OG 3.37Å; S1420-K1423 PolarHBondContact O-N 2.96Å; S1420-L1424 WeakPolarHBondContact O-CB 3.14Å; S1420-L1424 WeakPolarHBondContact O-CG 3.38Å; S1420-L1424 PolarHBondContact O-N 3.48Å | |
| 1421 | R | 78.7 | Confident | 75.8 | Confident | 118 Ų | 118 | 96.6 Ų | 96.6 | 45% | 0.445 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.1 | 0 | 178.2 | -173.9 | -175.8 | 83 | 153.3 | -1.2 | 110.7 | E55 L1417 E1418 K1423 L1424 Q1425 | E55-R1421 IonicContact OE1-NH1 3.74Å; E55-R1421 IonicContact OE2-NH1 3.81Å; L1417-R1421 VanDerWaalsContact O-CB 3.3Å; L1417-R1421 WeakPolarHBondContact O-CB 3.49Å; L1417-R1421 PolarHBondContact O-N 2.84Å; E1418-R1421 PolarHBondContact O-N 3.45Å; R1421-K1423 VanDerWaalsContact C-N 3.35Å; R1421-L1424 PolarHBondContact O-N 3.03Å; R1421-Q1425 WeakPolarHBondContact O-CB 3.38Å; R1421-Q1425 PolarHBondContact O-N 3.42Å |
| 1422 | K | 76.7 | Confident | 75 | Confident | 135 Ų | 135 | 97.4 Ų | 97.4 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -83 | -174.8 | -176.9 | 177.8 | 0 | 111.3 | E1418 K1419 Q1425 S1426 | E1418-K1422 WeakPolarHBondContact O-CB 3.5Å; E1418-K1422 WeakPolarHBondContact O-CG 3.4Å; E1418-K1422 PolarHBondContact O-N 3.09Å; K1419-K1422 PolarHBondContact O-N 3.31Å; K1422-Q1425 PolarHBondContact O-N 3.36Å; K1422-S1426 VanDerWaalsContact O-CB 3.27Å; K1422-S1426 WeakPolarHBondContact O-CB 3.43Å; K1422-S1426 PolarHBondContact O-N 2.95Å | |
| 1423 | K | 74.7 | Confident | 74.5 | Confident | 137 Ų | 137 | 101.9 Ų | 101.9 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | 0 | -44.4 | 0 | -168.4 | 176.3 | 175.2 | 179.1 | 0 | 110.4 | K1419 S1420 R1421 Q1425 S1426 E1427 | K1419-K1423 WeakPolarHBondContact O-CB 3.44Å; K1419-K1423 PolarHBondContact O-N 2.82Å; S1420-K1423 PolarHBondContact O-N 2.96Å; R1421-K1423 VanDerWaalsContact C-N 3.35Å; K1423-Q1425 VanDerWaalsContact C-N 3.27Å; K1423-Q1425 PolarHBondContact O-N 3.28Å; K1423-S1426 PolarHBondContact O-N 3.46Å; K1423-E1427 WeakPolarHBondContact O-CB 3.43Å; K1423-E1427 VanDerWaalsContact O-CG 3.25Å; K1423-E1427 WeakPolarHBondContact O-CG 3.22Å; K1423-E1427 PolarHBondContact O-N 3.33Å | |
| 1424 | L | 68 | Low | 73.7 | Confident | 109 Ų | 109 | 99.7 Ų | 99.7 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.3 | 0 | 179.1 | -84.2 | 161.8 | 0 | 0 | 0 | 110.3 | S1420 R1421 E1427 L1428 | S1420-L1424 WeakPolarHBondContact O-CB 3.14Å; S1420-L1424 WeakPolarHBondContact O-CG 3.38Å; S1420-L1424 PolarHBondContact O-N 3.48Å; R1421-L1424 PolarHBondContact O-N 3.03Å; L1424-E1427 PolarHBondContact O-N 3.43Å; L1424-L1428 VanDerWaalsContact O-CB 3.31Å; L1424-L1428 WeakPolarHBondContact O-CB 2.53Å; L1424-L1428 PolarHBondContact O-N 3.47Å |
| 1425 | Q | 73.5 | Confident | 72.3 | Confident | 63 Ų | 63 | 97.2 Ų | 97.2 | 29% | 0.294 | 47% | 0.472 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -159 | 172.6 | -4.2 | 0 | 0 | 111.6 | R1421 K1422 K1423 L1428 E1429 | R1421-Q1425 WeakPolarHBondContact O-CB 3.38Å; R1421-Q1425 PolarHBondContact O-N 3.42Å; K1422-Q1425 PolarHBondContact O-N 3.36Å; K1423-Q1425 VanDerWaalsContact C-N 3.27Å; K1423-Q1425 PolarHBondContact O-N 3.28Å; Q1425-L1428 PolarHBondContact O-N 2.89Å; Q1425-E1429 WeakPolarHBondContact O-CB 3.46Å; Q1425-E1429 VanDerWaalsContact O-CG 3.31Å; Q1425-E1429 WeakPolarHBondContact O-CG 3.47Å; Q1425-E1429 PolarHBondContact O-N 2.99Å | |
| 1426 | S | 72.5 | Confident | 71.7 | Confident | 54 Ų | 54 | 94.5 Ų | 94.5 | 38% | 0.378 | 47% | 0.467 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 152.9 | 0 | 0 | 0 | 0 | 111.2 | K1422 K1423 L1428 E1429 D1430 | K1422-S1426 VanDerWaalsContact O-CB 3.27Å; K1422-S1426 WeakPolarHBondContact O-CB 3.43Å; K1422-S1426 PolarHBondContact O-N 2.95Å; K1423-S1426 PolarHBondContact O-N 3.46Å; S1426-L1428 VanDerWaalsContact C-N 3.35Å; S1426-E1429 PolarHBondContact O-N 2.94Å; S1426-D1430 WeakPolarHBondContact O-CB 3.5Å; S1426-D1430 PolarHBondContact O-N 2.82Å | |
| 1427 | E | 66.6 | Low | 71.3 | Confident | 98 Ų | 98 | 90.5 Ų | 90.5 | 46% | 0.458 | 46% | 0.457 | S | S | . | . | H | α-helix | 0 | -36.6 | 0 | -76.3 | 178.5 | -180 | 0 | 0 | 110.4 | K1423 L1424 M1431 | K1423-E1427 WeakPolarHBondContact O-CB 3.43Å; K1423-E1427 VanDerWaalsContact O-CG 3.25Å; K1423-E1427 WeakPolarHBondContact O-CG 3.22Å; K1423-E1427 PolarHBondContact O-N 3.33Å; L1424-E1427 PolarHBondContact O-N 3.43Å; E1427-M1431 VanDerWaalsContact O-CB 3.23Å; E1427-M1431 WeakPolarHBondContact O-CB 3.34Å; E1427-M1431 WeakPolarHBondContact O-CG 2.79Å; E1427-M1431 PolarHBondContact O-N 2.98Å | |
| 1428 | L | 68.4 | Low | 70.3 | Confident | 65 Ų | 65 | 86.6 Ų | 86.6 | 34% | 0.34 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.5 | 0 | 179.6 | -160 | 114.5 | 0 | 0 | 0 | 110.1 | L1424 Q1425 S1426 M1431 N1432 | L1424-L1428 VanDerWaalsContact O-CB 3.31Å; L1424-L1428 WeakPolarHBondContact O-CB 2.53Å; L1424-L1428 PolarHBondContact O-N 3.47Å; Q1425-L1428 PolarHBondContact O-N 2.89Å; S1426-L1428 VanDerWaalsContact C-N 3.35Å; L1428-M1431 CarbonylContact O-C 3.56Å; L1428-M1431 WeakPolarHBondContact O-CB 3.39Å; L1428-M1431 PolarHBondContact O-N 3.45Å; L1428-M1431 VanDerWaalsContact O-N 3.13Å; L1428-N1432 WeakPolarHBondContact O-CB 3.48Å; L1428-N1432 PolarHBondContact O-N 2.69Å |
| 1429 | E | 73 | Confident | 69.5 | Low | 113 Ų | 113 | 84.1 Ų | 84.1 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | H | α-helix | 0 | -39.7 | 0 | -76 | 175.7 | -179.3 | 0 | 0 | 111.5 | Q1425 S1426 M1431 N1432 H1433 | Q1425-E1429 WeakPolarHBondContact O-CB 3.46Å; Q1425-E1429 VanDerWaalsContact O-CG 3.31Å; Q1425-E1429 WeakPolarHBondContact O-CG 3.47Å; Q1425-E1429 PolarHBondContact O-N 2.99Å; S1426-E1429 PolarHBondContact O-N 2.94Å; E1429-M1431 PolarHBondContact O-N 2.08Å; E1429-N1432 PolarHBondContact O-N 3.09Å; E1429-H1433 VanDerWaalsContact O-CB 3.26Å; E1429-H1433 WeakPolarHBondContact O-CB 2.25Å; E1429-H1433 PolarHBondContact O-N 2.33Å | |
| 1430 | D | 70.3 | Confident | 69 | Low | 93 Ų | 93 | 79.9 Ų | 79.9 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | 0 | 177.1 | -82.1 | -5.3 | 0 | 0 | 0 | 110.5 | S1426 H1433 V1434 | S1426-D1430 WeakPolarHBondContact O-CB 3.5Å; S1426-D1430 PolarHBondContact O-N 2.82Å; D1430-H1433 PolarHBondContact O-N 2.8Å; D1430-V1434 WeakPolarHBondContact O-CB 3.43Å; D1430-V1434 WeakPolarHBondContact O-CG2 3.49Å; D1430-V1434 PolarHBondContact O-N 3.33Å |
| 1431 | M | 60.1 | Low | 68.9 | Low | 56 Ų | 56 | 80.2 Ų | 80.2 | 28% | 0.276 | 41% | 0.409 | S | S | . | . | H | α-helix | 0 | -38.6 | 0 | -86.4 | -57.5 | 132.2 | 0 | 0 | 110.2 | R712 E1427 L1428 E1429 M1435 | R712-M1431 PolarHBondContact NH2-SD 3.4Å; E1427-M1431 VanDerWaalsContact O-CB 3.23Å; E1427-M1431 WeakPolarHBondContact O-CB 3.34Å; E1427-M1431 WeakPolarHBondContact O-CG 2.79Å; E1427-M1431 PolarHBondContact O-N 2.98Å; L1428-M1431 CarbonylContact O-C 3.56Å; L1428-M1431 WeakPolarHBondContact O-CB 3.39Å; L1428-M1431 PolarHBondContact O-N 3.45Å; L1428-M1431 VanDerWaalsContact O-N 3.13Å; E1429-M1431 PolarHBondContact O-N 2.08Å; M1431-M1435 VanDerWaalsContact O-CB 3.29Å; M1431-M1435 WeakPolarHBondContact O-CB 3.19Å; M1431-M1435 WeakPolarHBondContact O-CG 2.48Å; M1431-M1435 PolarHBondContact O-N 3.38Å | |
| 1432 | N | 69.8 | Low | 68 | Low | 91 Ų | 91 | 78.9 Ų | 78.9 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.1 | 0 | -179.4 | -82.8 | -22.6 | 0 | 0 | 0 | 111 | L1428 E1429 M1435 A1436 | L1428-N1432 WeakPolarHBondContact O-CB 3.48Å; L1428-N1432 PolarHBondContact O-N 2.69Å; E1429-N1432 PolarHBondContact O-N 3.09Å; N1432-M1435 PolarHBondContact O-N 3.1Å; N1432-A1436 WeakPolarHBondContact O-CB 2.95Å; N1432-A1436 PolarHBondContact O-N 3.09Å |
| 1433 | H | 71.3 | Confident | 67.7 | Low | 140 Ų | 140 | 74.3 Ų | 74.3 | 65% | 0.648 | 40% | 0.395 | S | S | * | . | H | α-helix | 0 | -41.5 | 0 | -166.5 | 57.5 | 0 | 0 | 0 | 111.2 | E1429 D1430 M1435 A1436 S1437 | E1429-H1433 VanDerWaalsContact O-CB 3.26Å; E1429-H1433 WeakPolarHBondContact O-CB 2.25Å; E1429-H1433 PolarHBondContact O-N 2.33Å; D1430-H1433 PolarHBondContact O-N 2.8Å; H1433-M1435 VanDerWaalsContact C-N 3.29Å; H1433-A1436 PolarHBondContact O-N 3.44Å; H1433-S1437 VanDerWaalsContact O-CB 3.31Å; H1433-S1437 WeakPolarHBondContact O-CB 3.46Å; H1433-S1437 PolarHBondContact O-N 3.42Å | |
| 1434 | V | 64.5 | Low | 67.6 | Low | 65 Ų | 65 | 71.7 Ų | 71.7 | 39% | 0.394 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.1 | 0 | -177.9 | 170.4 | 0 | 0 | 0 | 0 | 109.1 | D1430 S1437 Q1438 | D1430-V1434 WeakPolarHBondContact O-CB 3.43Å; D1430-V1434 WeakPolarHBondContact O-CG2 3.49Å; D1430-V1434 PolarHBondContact O-N 3.33Å; V1434-S1437 PolarHBondContact O-N 3.46Å; V1434-Q1438 WeakPolarHBondContact O-CB 3.19Å; V1434-Q1438 PolarHBondContact O-N 3.38Å |
| 1435 | M | 56.3 | Low | 67.5 | Low | 28 Ų | 28 | 68.5 Ų | 68.5 | 14% | 0.138 | 37% | 0.371 | C | S | . | . | H | α-helix | 0 | -36.5 | 0 | -71.7 | -71.9 | -68.9 | 0 | 0 | 110.2 | M95 M1431 N1432 H1433 R1439 | M95-M1435 HydrophobicContact CB-CE 4.36Å; M1431-M1435 VanDerWaalsContact O-CB 3.29Å; M1431-M1435 WeakPolarHBondContact O-CB 3.19Å; M1431-M1435 WeakPolarHBondContact O-CG 2.48Å; M1431-M1435 PolarHBondContact O-N 3.38Å; N1432-M1435 PolarHBondContact O-N 3.1Å; H1433-M1435 VanDerWaalsContact C-N 3.29Å; M1435-R1439 WeakPolarHBondContact O-CB 3.21Å; M1435-R1439 WeakPolarHBondContact O-CG 3.11Å; M1435-R1439 PolarHBondContact O-N 3.42Å; M1435-R1439 VanDerWaalsContact O-N 3.09Å | |
| 1436 | A | 69.8 | Low | 67.2 | Low | 48 Ų | 48 | 70 Ų | 70 | 40% | 0.397 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.7 | -40.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N1432 H1433 R1439 S1440 | N1432-A1436 WeakPolarHBondContact O-CB 2.95Å; N1432-A1436 PolarHBondContact O-N 3.09Å; H1433-A1436 PolarHBondContact O-N 3.44Å; A1436-R1439 WeakPolarHBondContact O-CB 3.44Å; A1436-R1439 PolarHBondContact O-N 3.07Å; A1436-S1440 PolarHBondContact O-N 3.08Å |
| 1437 | S | 71 | Confident | 67.2 | Low | 58 Ų | 58 | 76.2 Ų | 76.2 | 41% | 0.406 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 178.7 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | H1433 V1434 R1439 S1440 D1441 | H1433-S1437 VanDerWaalsContact O-CB 3.31Å; H1433-S1437 WeakPolarHBondContact O-CB 3.46Å; H1433-S1437 PolarHBondContact O-N 3.42Å; V1434-S1437 PolarHBondContact O-N 3.46Å; S1437-R1439 VanDerWaalsContact C-N 3.28Å; S1437-R1439 PolarHBondContact O-N 3.25Å; S1437-S1440 PolarHBondContact O-N 3.49Å; S1437-D1441 WeakPolarHBondContact O-CB 3.39Å; S1437-D1441 PolarHBondContact O-N 1.61Å |
| 1438 | Q | 59.7 | Low | 67.4 | Low | 37 Ų | 37 | 80.4 Ų | 80.4 | 17% | 0.173 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.5 | -32 | 179.1 | -142.8 | -176 | -1.6 | 0 | 0 | 110.4 | V1434 D1441 Q1442 | V1434-Q1438 WeakPolarHBondContact O-CB 3.19Å; V1434-Q1438 PolarHBondContact O-N 3.38Å; Q1438-D1441 PolarHBondContact O-N 3.35Å; Q1438-Q1442 WeakPolarHBondContact O-CB 3.2Å; Q1438-Q1442 PolarHBondContact O-N 2.85Å |
| 1439 | R | 61.9 | Low | 67.4 | Low | 51 Ų | 51 | 81.6 Ų | 81.6 | 19% | 0.192 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.9 | -50.4 | 178.3 | -83 | -175.3 | -162 | 171 | -0.5 | 110.8 | F94 M1435 A1436 S1437 D1441 Q1442 A1443 | F94-R1439 CovalentContact CD1-NH2 1.09Å; F94-R1439 CovalentContact CE1-CZ 1.35Å; F94-R1439 CovalentContact CE1-NH1 1.38Å; M1435-R1439 WeakPolarHBondContact O-CB 3.21Å; M1435-R1439 WeakPolarHBondContact O-CG 3.11Å; M1435-R1439 PolarHBondContact O-N 3.42Å; M1435-R1439 VanDerWaalsContact O-N 3.09Å; A1436-R1439 WeakPolarHBondContact O-CB 3.44Å; A1436-R1439 PolarHBondContact O-N 3.07Å; S1437-R1439 VanDerWaalsContact C-N 3.28Å; S1437-R1439 PolarHBondContact O-N 3.25Å; R1439-D1441 PolarHBondContact O-N 3.12Å; R1439-Q1442 PolarHBondContact O-N 3.14Å; R1439-A1443 WeakPolarHBondContact O-CB 3.43Å; R1439-A1443 PolarHBondContact O-N 3.19Å |
| 1440 | S | 70.8 | Confident | 67.4 | Low | 63 Ų | 63 | 83.2 Ų | 83.2 | 44% | 0.441 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.3 | -33.2 | -179.7 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | A1436 S1437 N1444 | A1436-S1440 PolarHBondContact O-N 3.08Å; S1437-S1440 PolarHBondContact O-N 3.49Å; S1440-N1444 VanDerWaalsContact O-CB 3.3Å; S1440-N1444 WeakPolarHBondContact O-CB 3.37Å; S1440-N1444 VanDerWaalsContact O-CG 3.26Å; S1440-N1444 PolarHBondContact O-N 3.42Å; S1440-N1444 PolarHBondContact O-ND2 1.57Å |
| 1441 | D | 68.9 | Low | 67.7 | Low | 63 Ų | 63 | 86.5 Ų | 86.5 | 34% | 0.337 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -77.1 | 0 | -178.1 | -73.9 | -15.6 | 0 | 0 | 0 | 110.6 | S1437 Q1438 R1439 N1444 N1445 | S1437-D1441 WeakPolarHBondContact O-CB 3.39Å; S1437-D1441 PolarHBondContact O-N 1.61Å; Q1438-D1441 PolarHBondContact O-N 3.35Å; R1439-D1441 PolarHBondContact O-N 3.12Å; D1441-N1444 PolarHBondContact O-N 3.45Å; D1441-N1445 WeakPolarHBondContact O-CB 3.42Å; D1441-N1445 VanDerWaalsContact O-CG 3.27Å; D1441-N1445 PolarHBondContact O-N 3.48Å; D1441-N1445 PolarHBondContact O-ND2 3Å |
| 1442 | Q | 60.2 | Low | 68.3 | Low | 89 Ų | 89 | 89 Ų | 89 | 42% | 0.416 | 44% | 0.439 | S | S | . | . | H | α-helix | 0 | -41.8 | 0 | -158.9 | 173.3 | -4.1 | 0 | 0 | 110.4 | Q1438 R1439 N1445 E1446 | Q1438-Q1442 WeakPolarHBondContact O-CB 3.2Å; Q1438-Q1442 PolarHBondContact O-N 2.85Å; R1439-Q1442 PolarHBondContact O-N 3.14Å; Q1442-N1445 PolarHBondContact O-N 3.37Å; Q1442-E1446 WeakPolarHBondContact O-CB 3.37Å; Q1442-E1446 PolarHBondContact O-N 3.44Å | |
| 1443 | A | 70.7 | Confident | 68.4 | Low | 40 Ų | 40 | 90.1 Ų | 90.1 | 33% | 0.331 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.7 | 0 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R1439 E1446 R1447 | R1439-A1443 WeakPolarHBondContact O-CB 3.43Å; R1439-A1443 PolarHBondContact O-N 3.19Å; A1443-E1446 PolarHBondContact O-N 3.19Å; A1443-R1447 WeakPolarHBondContact O-CG 3.26Å; A1443-R1447 PolarHBondContact O-N 3.05Å |
| 1444 | N | 73.4 | Confident | 68.8 | Low | 82 Ų | 82 | 86.3 Ų | 86.3 | 44% | 0.439 | 43% | 0.431 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -81.7 | -14.5 | 0 | 0 | 0 | 111.8 | S1440 D1441 R1447 R1448 | S1440-N1444 VanDerWaalsContact O-CB 3.3Å; S1440-N1444 WeakPolarHBondContact O-CB 3.37Å; S1440-N1444 VanDerWaalsContact O-CG 3.26Å; S1440-N1444 PolarHBondContact O-N 3.42Å; S1440-N1444 PolarHBondContact O-ND2 1.57Å; D1441-N1444 PolarHBondContact O-N 3.45Å; N1444-R1447 PolarHBondContact O-N 3.27Å; N1444-R1448 PolarHBondContact O-N 2.82Å | |
| 1445 | N | 65.8 | Low | 69.6 | Low | 42 Ų | 42 | 86.4 Ų | 86.4 | 23% | 0.225 | 43% | 0.432 | C | S | . | . | H | α-helix | 0 | -37.4 | 0 | -78.5 | -18.2 | 0 | 0 | 0 | 110.8 | D1441 Q1442 R1447 R1448 I1449 | D1441-N1445 WeakPolarHBondContact O-CB 3.42Å; D1441-N1445 VanDerWaalsContact O-CG 3.27Å; D1441-N1445 PolarHBondContact O-N 3.48Å; D1441-N1445 PolarHBondContact O-ND2 3Å; Q1442-N1445 PolarHBondContact O-N 3.37Å; N1445-R1447 VanDerWaalsContact C-N 3.3Å; N1445-R1448 PolarHBondContact O-N 3.37Å; N1445-I1449 WeakPolarHBondContact O-CB 3.42Å; N1445-I1449 WeakPolarHBondContact O-CG1 3.44Å; N1445-I1449 PolarHBondContact O-N 2.89Å | |
| 1446 | E | 67 | Low | 70.4 | Confident | 95 Ų | 95 | 91 Ų | 91 | 44% | 0.444 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.8 | 0 | 178.1 | -96.7 | 175.5 | -179.5 | 0 | 0 | 110.4 | Q1442 A1443 R1448 K1450 | Q1442-E1446 WeakPolarHBondContact O-CB 3.37Å; Q1442-E1446 PolarHBondContact O-N 3.44Å; A1443-E1446 PolarHBondContact O-N 3.19Å; E1446-R1448 VanDerWaalsContact C-N 3.33Å; E1446-K1450 WeakPolarHBondContact O-CB 3.33Å; E1446-K1450 WeakPolarHBondContact O-CG 3.31Å; E1446-K1450 PolarHBondContact O-N 3.43Å |
| 1447 | R | 71.9 | Confident | 70.8 | Confident | 184 Ų | 184 | 90.8 Ų | 90.8 | 69% | 0.694 | 45% | 0.451 | S | S | * | . | H | α-helix | 0 | -37.4 | 0 | -78.4 | -176.9 | -165.2 | 178.2 | 0.7 | 111.4 | A1443 N1444 N1445 K1450 K1451 | A1443-R1447 WeakPolarHBondContact O-CG 3.26Å; A1443-R1447 PolarHBondContact O-N 3.05Å; N1444-R1447 PolarHBondContact O-N 3.27Å; N1445-R1447 VanDerWaalsContact C-N 3.3Å; R1447-K1450 PolarHBondContact O-N 3.12Å; R1447-K1451 WeakPolarHBondContact O-CB 3.33Å; R1447-K1451 PolarHBondContact O-N 2.93Å | |
| 1448 | R | 70.8 | Confident | 71.3 | Confident | 186 Ų | 186 | 93.4 Ų | 93.4 | 70% | 0.702 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -70.8 | -40.3 | -179.4 | -106.9 | 176.7 | 127.9 | 174.5 | -0.4 | 110.8 | N1444 N1445 E1446 K1450 K1451 L1452 | N1444-R1448 PolarHBondContact O-N 2.82Å; N1445-R1448 PolarHBondContact O-N 3.37Å; E1446-R1448 VanDerWaalsContact C-N 3.33Å; R1448-K1450 VanDerWaalsContact C-N 3.3Å; R1448-K1451 PolarHBondContact O-N 3.46Å; R1448-L1452 WeakPolarHBondContact O-CG 3.11Å; R1448-L1452 PolarHBondContact O-N 2.87Å |
| 1449 | I | 67.9 | Low | 72.2 | Confident | 89 Ų | 89 | 95.3 Ų | 95.3 | 46% | 0.456 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66 | 0 | 179.8 | -73.8 | 175.6 | 0 | 0 | 0 | 109 | N1445 K1451 L1452 E1453 | N1445-I1449 WeakPolarHBondContact O-CB 3.42Å; N1445-I1449 WeakPolarHBondContact O-CG1 3.44Å; N1445-I1449 PolarHBondContact O-N 2.89Å; I1449-K1451 VanDerWaalsContact C-N 3.31Å; I1449-K1451 PolarHBondContact O-N 3.23Å; I1449-L1452 PolarHBondContact O-N 3.23Å; I1449-E1453 HydrophobicContact CG2-CG 3.99Å; I1449-E1453 WeakPolarHBondContact CG2-OE1 3.27Å; I1449-E1453 VanDerWaalsContact O-CB 3.22Å; I1449-E1453 WeakPolarHBondContact O-CB 3.42Å; I1449-E1453 WeakPolarHBondContact O-CG 3.05Å; I1449-E1453 PolarHBondContact O-N 3.36Å |
| 1450 | K | 73.3 | Confident | 73 | Confident | 148 Ų | 148 | 95.2 Ų | 95.2 | 64% | 0.643 | 48% | 0.476 | S | S | * | . | H | α-helix | 0 | -35.9 | 0 | -91.9 | -175.2 | -177.1 | 177.8 | 0 | 110.5 | E1446 R1447 R1448 E1453 S1454 | E1446-K1450 WeakPolarHBondContact O-CB 3.33Å; E1446-K1450 WeakPolarHBondContact O-CG 3.31Å; E1446-K1450 PolarHBondContact O-N 3.43Å; R1447-K1450 PolarHBondContact O-N 3.12Å; R1448-K1450 VanDerWaalsContact C-N 3.3Å; K1450-E1453 PolarHBondContact O-N 2.93Å; K1450-S1454 WeakPolarHBondContact O-CB 3.43Å; K1450-S1454 PolarHBondContact O-N 3.13Å | |
| 1451 | K | 77.2 | Confident | 73.5 | Confident | 162 Ų | 162 | 97.2 Ų | 97.2 | 70% | 0.704 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.7 | -40.2 | 177.3 | -159 | 172.2 | 177.4 | 178.2 | 0 | 111 | R1447 R1448 I1449 E1453 S1454 T1455 | R1447-K1451 WeakPolarHBondContact O-CB 3.33Å; R1447-K1451 PolarHBondContact O-N 2.93Å; R1448-K1451 PolarHBondContact O-N 3.46Å; I1449-K1451 VanDerWaalsContact C-N 3.31Å; I1449-K1451 PolarHBondContact O-N 3.23Å; K1451-E1453 VanDerWaalsContact C-N 3.31Å; K1451-S1454 PolarHBondContact O-N 2.97Å; K1451-T1455 VanDerWaalsContact O-CG2 3.32Å; K1451-T1455 WeakPolarHBondContact O-CG2 3.42Å; K1451-T1455 PolarHBondContact O-N 3.44Å; K1451-T1455 PolarHBondContact O-OG1 3.5Å; K1451-T1455 VanDerWaalsContact O-OG1 3.06Å |
| 1452 | L | 72.3 | Confident | 74.2 | Confident | 107 Ų | 107 | 99.9 Ų | 99.9 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.6 | -36.2 | -179.8 | -76.7 | 171 | 0 | 0 | 0 | 110.3 | R1448 I1449 S1454 T1455 H1456 | R1448-L1452 WeakPolarHBondContact O-CG 3.11Å; R1448-L1452 PolarHBondContact O-N 2.87Å; I1449-L1452 PolarHBondContact O-N 3.23Å; L1452-S1454 VanDerWaalsContact C-N 3.25Å; L1452-S1454 PolarHBondContact O-N 3.28Å; L1452-T1455 WeakPolarHBondContact CA-OG1 3.47Å; L1452-T1455 PolarHBondContact O-N 3.35Å; L1452-T1455 PolarHBondContact O-OG1 2.93Å; L1452-H1456 VanDerWaalsContact O-CB 3.28Å; L1452-H1456 WeakPolarHBondContact O-CB 3.24Å; L1452-H1456 PolarHBondContact O-N 3.46Å |
| 1453 | E | 72.5 | Confident | 75.1 | Confident | 115 Ų | 115 | 100.9 Ų | 100.9 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 177.9 | -79.3 | 177.9 | 166.8 | 0 | 0 | 110.2 | I1449 K1450 K1451 T1455 H1456 A1457 | I1449-E1453 HydrophobicContact CG2-CG 3.99Å; I1449-E1453 WeakPolarHBondContact CG2-OE1 3.27Å; I1449-E1453 VanDerWaalsContact O-CB 3.22Å; I1449-E1453 WeakPolarHBondContact O-CB 3.42Å; I1449-E1453 WeakPolarHBondContact O-CG 3.05Å; I1449-E1453 PolarHBondContact O-N 3.36Å; K1450-E1453 PolarHBondContact O-N 2.93Å; K1451-E1453 VanDerWaalsContact C-N 3.31Å; E1453-T1455 VanDerWaalsContact C-N 3.3Å; E1453-H1456 PolarHBondContact O-N 3.46Å; E1453-A1457 WeakPolarHBondContact O-CA 3.42Å; E1453-A1457 WeakPolarHBondContact O-CB 3.43Å; E1453-A1457 PolarHBondContact O-N 3.44Å |
| 1454 | S | 79.5 | Confident | 75.6 | Confident | 60 Ų | 60 | 102.9 Ų | 102.9 | 42% | 0.42 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 178.8 | 166.2 | 0 | 0 | 0 | 0 | 111.1 | K1450 K1451 L1452 A1457 E1458 | K1450-S1454 WeakPolarHBondContact O-CB 3.43Å; K1450-S1454 PolarHBondContact O-N 3.13Å; K1451-S1454 PolarHBondContact O-N 2.97Å; L1452-S1454 VanDerWaalsContact C-N 3.25Å; L1452-S1454 PolarHBondContact O-N 3.28Å; S1454-A1457 PolarHBondContact O-N 2.88Å; S1454-E1458 WeakPolarHBondContact O-CG 3.2Å; S1454-E1458 PolarHBondContact O-N 3.47Å |
| 1455 | T | 80.3 | Confident | 76.1 | Confident | 68 Ų | 68 | 101.8 Ų | 101.8 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 178.8 | 47.9 | 0 | 0 | 0 | 0 | 110.8 | K1451 L1452 E1453 A1457 E1458 T1459 | K1451-T1455 VanDerWaalsContact O-CG2 3.32Å; K1451-T1455 WeakPolarHBondContact O-CG2 3.42Å; K1451-T1455 PolarHBondContact O-N 3.44Å; K1451-T1455 PolarHBondContact O-OG1 3.5Å; K1451-T1455 VanDerWaalsContact O-OG1 3.06Å; L1452-T1455 WeakPolarHBondContact CA-OG1 3.47Å; L1452-T1455 PolarHBondContact O-N 3.35Å; L1452-T1455 PolarHBondContact O-OG1 2.93Å; E1453-T1455 VanDerWaalsContact C-N 3.3Å; T1455-A1457 VanDerWaalsContact C-N 3.33Å; T1455-E1458 PolarHBondContact O-N 3Å; T1455-T1459 PolarHBondContact O-N 3.14Å; T1455-T1459 VanDerWaalsContact O-N 3.1Å; T1455-T1459 PolarHBondContact O-OG1 3.26Å |
| 1456 | H | 74.3 | Confident | 76.9 | Confident | 124 Ų | 124 | 106.3 Ų | 106.3 | 57% | 0.574 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.2 | -40.5 | 179 | -178.3 | 62.5 | 0 | 0 | 0 | 110.1 | L1452 E1453 E1458 T1459 V1460 | L1452-H1456 VanDerWaalsContact O-CB 3.28Å; L1452-H1456 WeakPolarHBondContact O-CB 3.24Å; L1452-H1456 PolarHBondContact O-N 3.46Å; E1453-H1456 PolarHBondContact O-N 3.46Å; H1456-E1458 PolarHBondContact O-N 2.85Å; H1456-T1459 WeakPolarHBondContact CA-OG1 2.64Å; H1456-T1459 PolarHBondContact O-N 2.61Å; H1456-T1459 PolarHBondContact O-OG1 3.48Å; H1456-V1460 WeakPolarHBondContact NE2-CG2 3.38Å; H1456-V1460 WeakPolarHBondContact O-CB 3.37Å; H1456-V1460 WeakPolarHBondContact O-CG2 3.45Å; H1456-V1460 PolarHBondContact O-N 2.92Å |
| 1457 | A | 78.5 | Confident | 77.6 | Confident | 44 Ų | 44 | 106.2 Ų | 106.2 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | -180 | 0 | 0 | 0 | 0 | 0 | 110 | E1453 S1454 T1455 T1459 V1460 N1461 | E1453-A1457 WeakPolarHBondContact O-CA 3.42Å; E1453-A1457 WeakPolarHBondContact O-CB 3.43Å; E1453-A1457 PolarHBondContact O-N 3.44Å; S1454-A1457 PolarHBondContact O-N 2.88Å; T1455-A1457 VanDerWaalsContact C-N 3.33Å; A1457-T1459 VanDerWaalsContact C-N 3.31Å; A1457-T1459 PolarHBondContact O-N 3.33Å; A1457-V1460 PolarHBondContact O-N 3.45Å; A1457-N1461 WeakPolarHBondContact O-CB 3.47Å; A1457-N1461 PolarHBondContact O-N 3.39Å; A1457-N1461 PolarHBondContact O-ND2 3.26Å |
| 1458 | E | 81.5 | Confident | 78.1 | Confident | 113 Ų | 113 | 100.2 Ų | 100.2 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 177.8 | -82.7 | 175.8 | -174.7 | 0 | 0 | 111.5 | S1454 T1455 H1456 N1461 Q1462 | S1454-E1458 WeakPolarHBondContact O-CG 3.2Å; S1454-E1458 PolarHBondContact O-N 3.47Å; T1455-E1458 PolarHBondContact O-N 3Å; H1456-E1458 PolarHBondContact O-N 2.85Å; E1458-N1461 PolarHBondContact O-N 3.11Å; E1458-Q1462 WeakPolarHBondContact O-CB 3.28Å; E1458-Q1462 VanDerWaalsContact O-CG 3.26Å; E1458-Q1462 WeakPolarHBondContact O-CG 3.49Å; E1458-Q1462 PolarHBondContact O-N 3.37Å |
| 1459 | T | 77.8 | Confident | 78.7 | Confident | 76 Ų | 76 | 97.1 Ų | 97.1 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69 | -40.5 | 179.8 | 36.5 | 0 | 0 | 0 | 0 | 110.8 | T1455 H1456 A1457 N1461 Q1462 L1463 | T1455-T1459 PolarHBondContact O-N 3.14Å; T1455-T1459 VanDerWaalsContact O-N 3.1Å; T1455-T1459 PolarHBondContact O-OG1 3.26Å; H1456-T1459 WeakPolarHBondContact CA-OG1 2.64Å; H1456-T1459 PolarHBondContact O-N 2.61Å; H1456-T1459 PolarHBondContact O-OG1 3.48Å; A1457-T1459 VanDerWaalsContact C-N 3.31Å; A1457-T1459 PolarHBondContact O-N 3.33Å; T1459-N1461 VanDerWaalsContact C-N 3.27Å; T1459-Q1462 PolarHBondContact O-N 3.28Å; T1459-L1463 WeakPolarHBondContact O-CB 2.97Å; T1459-L1463 PolarHBondContact O-N 3.17Å |
| 1460 | V | 79.1 | Confident | 79.5 | Confident | 49 Ų | 49 | 99.3 Ų | 99.3 | 30% | 0.297 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 179.9 | 169.8 | 0 | 0 | 0 | 0 | 108.6 | H1456 A1457 Q1462 L1463 N1464 | H1456-V1460 WeakPolarHBondContact NE2-CG2 3.38Å; H1456-V1460 WeakPolarHBondContact O-CB 3.37Å; H1456-V1460 WeakPolarHBondContact O-CG2 3.45Å; H1456-V1460 PolarHBondContact O-N 2.92Å; A1457-V1460 PolarHBondContact O-N 3.45Å; V1460-Q1462 VanDerWaalsContact C-N 3.26Å; V1460-Q1462 PolarHBondContact O-N 2.82Å; V1460-L1463 PolarHBondContact O-N 2.8Å; V1460-N1464 WeakPolarHBondContact CG1-ND2 3.46Å; V1460-N1464 WeakPolarHBondContact O-CB 3.25Å; V1460-N1464 VanDerWaalsContact O-CG 3.25Å; V1460-N1464 PolarHBondContact O-N 3.27Å; V1460-N1464 PolarHBondContact O-ND2 3.41Å |
| 1461 | N | 80.6 | Confident | 80 | Confident | 105 Ų | 105 | 96.5 Ų | 96.5 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66 | -36.2 | -179.8 | -80.1 | -18.8 | 0 | 0 | 0 | 110.7 | A1457 E1458 T1459 N1464 S1465 | A1457-N1461 WeakPolarHBondContact O-CB 3.47Å; A1457-N1461 PolarHBondContact O-N 3.39Å; A1457-N1461 PolarHBondContact O-ND2 3.26Å; E1458-N1461 PolarHBondContact O-N 3.11Å; T1459-N1461 VanDerWaalsContact C-N 3.27Å; N1461-N1464 PolarHBondContact O-N 3.5Å; N1461-S1465 VanDerWaalsContact O-CB 3.3Å; N1461-S1465 WeakPolarHBondContact O-CB 3.43Å; N1461-S1465 PolarHBondContact O-N 2.9Å |
| 1462 | Q | 83.4 | Confident | 80.3 | Confident | 120 Ų | 120 | 91.2 Ų | 91.2 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67 | -43.1 | 176 | -76.7 | 178.6 | 4.5 | 0 | 0 | 111.5 | E1458 T1459 V1460 N1464 S1465 F1466 | E1458-Q1462 WeakPolarHBondContact O-CB 3.28Å; E1458-Q1462 VanDerWaalsContact O-CG 3.26Å; E1458-Q1462 WeakPolarHBondContact O-CG 3.49Å; E1458-Q1462 PolarHBondContact O-N 3.37Å; T1459-Q1462 PolarHBondContact O-N 3.28Å; V1460-Q1462 VanDerWaalsContact C-N 3.26Å; V1460-Q1462 PolarHBondContact O-N 2.82Å; Q1462-N1464 VanDerWaalsContact C-N 3.34Å; Q1462-S1465 PolarHBondContact O-N 2.45Å; Q1462-F1466 VanDerWaalsContact O-CD2 3.23Å; Q1462-F1466 WeakPolarHBondContact O-CD2 3Å; Q1462-F1466 PolarHBondContact O-N 2.84Å |
| 1463 | L | 79.5 | Confident | 81 | Confident | 109 Ų | 109 | 93.1 Ų | 93.1 | 57% | 0.571 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.8 | -42.3 | 178.9 | -159.1 | 104.9 | 0 | 0 | 0 | 110.4 | T1459 V1460 S1465 F1466 Q1467 | T1459-L1463 WeakPolarHBondContact O-CB 2.97Å; T1459-L1463 PolarHBondContact O-N 3.17Å; V1460-L1463 PolarHBondContact O-N 2.8Å; L1463-S1465 PolarHBondContact O-N 2.46Å; L1463-F1466 PolarHBondContact O-N 2.72Å; L1463-Q1467 WeakPolarHBondContact O-CB 3.19Å; L1463-Q1467 PolarHBondContact O-N 3.3Å |
| 1464 | N | 81 | Confident | 81.5 | Confident | 83 Ų | 83 | 94.4 Ų | 94.4 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 178.8 | -76.9 | -20.5 | 0 | 0 | 0 | 110.5 | V1460 N1461 Q1462 F1466 Q1467 A1468 | V1460-N1464 WeakPolarHBondContact CG1-ND2 3.46Å; V1460-N1464 WeakPolarHBondContact O-CB 3.25Å; V1460-N1464 VanDerWaalsContact O-CG 3.25Å; V1460-N1464 PolarHBondContact O-N 3.27Å; V1460-N1464 PolarHBondContact O-ND2 3.41Å; N1461-N1464 PolarHBondContact O-N 3.5Å; Q1462-N1464 VanDerWaalsContact C-N 3.34Å; N1464-F1466 VanDerWaalsContact C-N 3.31Å; N1464-Q1467 PolarHBondContact O-N 2.83Å; N1464-A1468 VanDerWaalsContact O-CB 3.27Å; N1464-A1468 WeakPolarHBondContact O-CB 2.68Å; N1464-A1468 PolarHBondContact O-N 3.17Å |
| 1465 | S | 83.4 | Confident | 81.7 | Confident | 58 Ų | 58 | 97.9 Ų | 97.9 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 178 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | N1461 Q1462 L1463 Q1467 A1468 Q1469 | N1461-S1465 VanDerWaalsContact O-CB 3.3Å; N1461-S1465 WeakPolarHBondContact O-CB 3.43Å; N1461-S1465 PolarHBondContact O-N 2.9Å; Q1462-S1465 PolarHBondContact O-N 2.45Å; L1463-S1465 PolarHBondContact O-N 2.46Å; S1465-Q1467 VanDerWaalsContact C-N 3.32Å; S1465-A1468 PolarHBondContact O-N 2.98Å; S1465-Q1469 WeakPolarHBondContact O-CB 2.95Å; S1465-Q1469 VanDerWaalsContact O-CG 3.28Å; S1465-Q1469 WeakPolarHBondContact O-CG 3.17Å; S1465-Q1469 PolarHBondContact O-N 3.11Å |
| 1466 | F | 83 | Confident | 81.9 | Confident | 137 Ų | 137 | 100 Ų | 100 | 60% | 0.601 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.8 | -39.4 | 177.4 | -81.1 | -44.1 | 0 | 0 | 0 | 111.2 | Q1462 L1463 N1464 A1468 Q1469 K1470 | Q1462-F1466 VanDerWaalsContact O-CD2 3.23Å; Q1462-F1466 WeakPolarHBondContact O-CD2 3Å; Q1462-F1466 PolarHBondContact O-N 2.84Å; L1463-F1466 PolarHBondContact O-N 2.72Å; N1464-F1466 VanDerWaalsContact C-N 3.31Å; F1466-A1468 VanDerWaalsContact C-N 3.32Å; F1466-Q1469 PolarHBondContact O-N 3.42Å; F1466-K1470 WeakPolarHBondContact O-CB 2.92Å; F1466-K1470 PolarHBondContact O-N 2.58Å |
| 1467 | Q | 81.2 | Confident | 82.6 | Confident | 93 Ų | 93 | 97.3 Ų | 97.3 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 179 | -140.1 | 149.7 | -13.2 | 0 | 0 | 110.4 | L1463 N1464 S1465 Q1469 K1470 D1471 | L1463-Q1467 WeakPolarHBondContact O-CB 3.19Å; L1463-Q1467 PolarHBondContact O-N 3.3Å; N1464-Q1467 PolarHBondContact O-N 2.83Å; S1465-Q1467 VanDerWaalsContact C-N 3.32Å; Q1467-Q1469 VanDerWaalsContact C-N 3.27Å; Q1467-Q1469 PolarHBondContact O-N 2.89Å; Q1467-K1470 WeakPolarHBondContact O-CB 2.57Å; Q1467-K1470 PolarHBondContact O-N 3.28Å; Q1467-D1471 WeakPolarHBondContact O-CB 3.39Å; Q1467-D1471 PolarHBondContact O-N 3.33Å |
| 1468 | A | 82.4 | Confident | 82.9 | Confident | 59 Ų | 59 | 99.2 Ų | 99.2 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | N1464 S1465 F1466 K1470 D1471 A1472 | N1464-A1468 VanDerWaalsContact O-CB 3.27Å; N1464-A1468 WeakPolarHBondContact O-CB 2.68Å; N1464-A1468 PolarHBondContact O-N 3.17Å; S1465-A1468 PolarHBondContact O-N 2.98Å; F1466-A1468 VanDerWaalsContact C-N 3.32Å; A1468-K1470 VanDerWaalsContact C-N 3.3Å; A1468-D1471 PolarHBondContact O-N 2.65Å; A1468-A1472 WeakPolarHBondContact O-CB 2.6Å; A1468-A1472 PolarHBondContact O-N 2.26Å |
| 1469 | Q | 84.8 | Confident | 83.2 | Confident | 121 Ų | 121 | 99.3 Ų | 99.3 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.7 | -40.7 | 177.6 | -76.1 | 178.9 | 7.1 | 0 | 0 | 111.3 | S1465 F1466 Q1467 D1471 A1472 F1473 | S1465-Q1469 WeakPolarHBondContact O-CB 2.95Å; S1465-Q1469 VanDerWaalsContact O-CG 3.28Å; S1465-Q1469 WeakPolarHBondContact O-CG 3.17Å; S1465-Q1469 PolarHBondContact O-N 3.11Å; F1466-Q1469 PolarHBondContact O-N 3.42Å; Q1467-Q1469 VanDerWaalsContact C-N 3.27Å; Q1467-Q1469 PolarHBondContact O-N 2.89Å; Q1469-D1471 VanDerWaalsContact C-N 3.3Å; Q1469-A1472 PolarHBondContact O-N 3.02Å; Q1469-F1473 WeakPolarHBondContact O-CB 2.95Å; Q1469-F1473 PolarHBondContact O-N 3.5Å |
| 1470 | K | 83.4 | Confident | 83.6 | Confident | 134 Ų | 134 | 102.7 Ų | 102.7 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -45.2 | 176.2 | -174.1 | -174.3 | 96.5 | 162 | 0 | 111 | F1466 Q1467 A1468 A1472 F1473 Y1474 | F1466-K1470 WeakPolarHBondContact O-CB 2.92Å; F1466-K1470 PolarHBondContact O-N 2.58Å; Q1467-K1470 WeakPolarHBondContact O-CB 2.57Å; Q1467-K1470 PolarHBondContact O-N 3.28Å; A1468-K1470 VanDerWaalsContact C-N 3.3Å; K1470-A1472 PolarHBondContact O-N 2.39Å; K1470-F1473 PolarHBondContact O-N 3.5Å; K1470-Y1474 WeakPolarHBondContact O-CB 3.1Å; K1470-Y1474 PolarHBondContact O-N 2.93Å |
| 1471 | D | 84.4 | Confident | 84 | Confident | 89 Ų | 89 | 104.4 Ų | 104.4 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -35.8 | -179.5 | -76.1 | -14.1 | 0 | 0 | 0 | 110.2 | Q1467 A1468 Q1469 F1473 Y1474 Q1475 | Q1467-D1471 WeakPolarHBondContact O-CB 3.39Å; Q1467-D1471 PolarHBondContact O-N 3.33Å; A1468-D1471 PolarHBondContact O-N 2.65Å; Q1469-D1471 VanDerWaalsContact C-N 3.3Å; D1471-F1473 VanDerWaalsContact C-N 3.29Å; D1471-F1473 PolarHBondContact O-N 3.27Å; D1471-Y1474 PolarHBondContact O-N 2.84Å; D1471-Q1475 WeakPolarHBondContact O-CB 3.29Å; D1471-Q1475 PolarHBondContact O-N 3.5Å |
| 1472 | A | 84.5 | Confident | 84.2 | Confident | 52 Ų | 52 | 103.5 Ų | 103.5 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | A1468 Q1469 K1470 Y1474 Q1475 E1476 | A1468-A1472 WeakPolarHBondContact O-CB 2.6Å; A1468-A1472 PolarHBondContact O-N 2.26Å; Q1469-A1472 PolarHBondContact O-N 3.02Å; K1470-A1472 PolarHBondContact O-N 2.39Å; A1472-Y1474 VanDerWaalsContact C-N 3.33Å; A1472-Q1475 PolarHBondContact O-N 2.64Å; A1472-E1476 WeakPolarHBondContact O-CB 3.36Å; A1472-E1476 PolarHBondContact O-N 3.03Å |
| 1473 | F | 85.7 | Confident | 84.4 | Confident | 146 Ų | 146 | 104.5 Ų | 104.5 | 64% | 0.64 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.8 | -44.6 | 177.6 | -168.4 | -94.2 | 0 | 0 | 0 | 111.1 | Q1469 K1470 D1471 Q1475 E1476 M1477 | Q1469-F1473 WeakPolarHBondContact O-CB 2.95Å; Q1469-F1473 PolarHBondContact O-N 3.5Å; K1470-F1473 PolarHBondContact O-N 3.5Å; D1471-F1473 VanDerWaalsContact C-N 3.29Å; D1471-F1473 PolarHBondContact O-N 3.27Å; F1473-Q1475 PolarHBondContact O-N 2.64Å; F1473-E1476 PolarHBondContact O-N 3.27Å; F1473-M1477 PolarHBondContact O-N 2.97Å |
| 1474 | Y | 82.5 | Confident | 84.7 | Confident | 143 Ų | 143 | 104.8 Ų | 104.8 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.9 | -38.6 | 178.6 | -148 | -95.4 | 0 | 0 | 0 | 110.4 | K1470 D1471 A1472 E1476 M1477 L1478 | K1470-Y1474 WeakPolarHBondContact O-CB 3.1Å; K1470-Y1474 PolarHBondContact O-N 2.93Å; D1471-Y1474 PolarHBondContact O-N 2.84Å; A1472-Y1474 VanDerWaalsContact C-N 3.33Å; Y1474-E1476 VanDerWaalsContact C-N 3.29Å; Y1474-E1476 PolarHBondContact O-N 3.48Å; Y1474-M1477 HydrophobicContact CD1-CE 4.29Å; Y1474-M1477 HydrophobicContact CD2-CE 4.39Å; Y1474-M1477 HydrophobicContact CE1-CE 4.2Å; Y1474-M1477 HydrophobicContact CE2-CE 4.3Å; Y1474-M1477 HydrophobicContact CG-CE 4.39Å; Y1474-M1477 WeakPolarHBondContact O-CB 2.72Å; Y1474-M1477 PolarHBondContact O-N 3.35Å; Y1474-L1478 HydrophobicContact CD1-CD1 3.7Å; Y1474-L1478 HydrophobicContact CD1-CG 4.15Å; Y1474-L1478 HydrophobicContact CE1-CD1 3.93Å; Y1474-L1478 HydrophobicContact CE1-CG 4.25Å; Y1474-L1478 PolarHBondContact O-N 2.83Å |
| 1475 | Q | 84.9 | Confident | 85 | Confident | 133 Ų | 133 | 106.9 Ų | 106.9 | 62% | 0.621 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.9 | -39.8 | 178.2 | -100.7 | -175.5 | -0.5 | 0 | 0 | 110.5 | D1471 A1472 F1473 M1477 L1478 E1479 | D1471-Q1475 WeakPolarHBondContact O-CB 3.29Å; D1471-Q1475 PolarHBondContact O-N 3.5Å; A1472-Q1475 PolarHBondContact O-N 2.64Å; F1473-Q1475 PolarHBondContact O-N 2.64Å; Q1475-M1477 VanDerWaalsContact C-N 3.26Å; Q1475-M1477 PolarHBondContact O-N 2.84Å; Q1475-L1478 PolarHBondContact O-N 3.46Å; Q1475-E1479 WeakPolarHBondContact O-CB 3.27Å; Q1475-E1479 PolarHBondContact O-N 3.38Å |
| 1476 | E | 84.7 | Confident | 85.3 | Confident | 113 Ų | 113 | 107.2 Ų | 107.2 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 177.7 | -106 | -179.1 | -179.6 | 0 | 0 | 111.5 | A1472 F1473 Y1474 L1478 E1479 K1480 | A1472-E1476 WeakPolarHBondContact O-CB 3.36Å; A1472-E1476 PolarHBondContact O-N 3.03Å; F1473-E1476 PolarHBondContact O-N 3.27Å; Y1474-E1476 VanDerWaalsContact C-N 3.29Å; Y1474-E1476 PolarHBondContact O-N 3.48Å; E1476-L1478 VanDerWaalsContact C-N 3.28Å; E1476-L1478 PolarHBondContact O-N 2.86Å; E1476-E1479 PolarHBondContact O-N 2.65Å; E1476-K1480 WeakPolarHBondContact O-CG 3.45Å; E1476-K1480 PolarHBondContact O-N 2.85Å |
| 1477 | M | 87.7 | Confident | 85.5 | Confident | 67 Ų | 67 | 106.9 Ų | 106.9 | 33% | 0.33 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 177.3 | -164.3 | -102.7 | -30.4 | 0 | 0 | 111.2 | F1473 Y1474 Q1475 E1479 K1480 D1481 | F1473-M1477 PolarHBondContact O-N 2.97Å; Y1474-M1477 HydrophobicContact CD1-CE 4.29Å; Y1474-M1477 HydrophobicContact CD2-CE 4.39Å; Y1474-M1477 HydrophobicContact CE1-CE 4.2Å; Y1474-M1477 HydrophobicContact CE2-CE 4.3Å; Y1474-M1477 HydrophobicContact CG-CE 4.39Å; Y1474-M1477 WeakPolarHBondContact O-CB 2.72Å; Y1474-M1477 PolarHBondContact O-N 3.35Å; Q1475-M1477 VanDerWaalsContact C-N 3.26Å; Q1475-M1477 PolarHBondContact O-N 2.84Å; M1477-E1479 PolarHBondContact O-N 3.04Å; M1477-K1480 PolarHBondContact O-N 3.28Å; M1477-D1481 PolarHBondContact O-N 1.86Å |
| 1478 | L | 86 | Confident | 85.9 | Confident | 83 Ų | 83 | 108.6 Ų | 108.6 | 44% | 0.435 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.4 | -36.8 | -179.7 | -81.2 | 167.7 | 0 | 0 | 0 | 110.2 | Y1474 Q1475 E1476 K1480 D1481 T1482 | Y1474-L1478 HydrophobicContact CD1-CD1 3.7Å; Y1474-L1478 HydrophobicContact CD1-CG 4.15Å; Y1474-L1478 HydrophobicContact CE1-CD1 3.93Å; Y1474-L1478 HydrophobicContact CE1-CG 4.25Å; Y1474-L1478 PolarHBondContact O-N 2.83Å; Q1475-L1478 PolarHBondContact O-N 3.46Å; E1476-L1478 VanDerWaalsContact C-N 3.28Å; E1476-L1478 PolarHBondContact O-N 2.86Å; L1478-K1480 PolarHBondContact O-N 2.7Å; L1478-D1481 PolarHBondContact O-N 2.95Å; L1478-T1482 WeakPolarHBondContact O-CB 2.95Å; L1478-T1482 PolarHBondContact O-N 3.31Å; L1478-T1482 PolarHBondContact O-OG1 3.24Å |
| 1479 | E | 87.1 | Confident | 86.2 | Confident | 115 Ų | 115 | 109.6 Ų | 109.6 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 177.4 | -91.9 | 177.3 | -177.6 | 0 | 0 | 110.7 | Q1475 E1476 M1477 D1481 T1482 K1483 | Q1475-E1479 WeakPolarHBondContact O-CB 3.27Å; Q1475-E1479 PolarHBondContact O-N 3.38Å; E1476-E1479 PolarHBondContact O-N 2.65Å; M1477-E1479 PolarHBondContact O-N 3.04Å; E1479-D1481 VanDerWaalsContact C-N 3.29Å; E1479-D1481 PolarHBondContact O-N 2.8Å; E1479-T1482 PolarHBondContact O-N 2.85Å; E1479-K1483 WeakPolarHBondContact O-CG 3.28Å; E1479-K1483 PolarHBondContact O-N 3.02Å |
| 1480 | K | 86.2 | Confident | 86.4 | Confident | 148 Ų | 148 | 109.9 Ų | 109.9 | 64% | 0.643 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68 | -37.5 | 178.3 | -75.4 | -170.6 | 179.5 | 171.5 | 0 | 111.2 | E1476 M1477 L1478 T1482 K1483 L1484 | E1476-K1480 WeakPolarHBondContact O-CG 3.45Å; E1476-K1480 PolarHBondContact O-N 2.85Å; M1477-K1480 PolarHBondContact O-N 3.28Å; L1478-K1480 PolarHBondContact O-N 2.7Å; K1480-T1482 VanDerWaalsContact C-N 3.29Å; K1480-K1483 PolarHBondContact O-N 3.25Å; K1480-L1484 PolarHBondContact O-N 3.34Å |
| 1481 | D | 87 | Confident | 86.5 | Confident | 85 Ų | 85 | 109 Ų | 109 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 177.6 | -84.1 | -11.8 | 0 | 0 | 0 | 110.9 | M1477 L1478 E1479 K1483 L1484 F1485 | M1477-D1481 PolarHBondContact O-N 1.86Å; L1478-D1481 PolarHBondContact O-N 2.95Å; E1479-D1481 VanDerWaalsContact C-N 3.29Å; E1479-D1481 PolarHBondContact O-N 2.8Å; D1481-K1483 PolarHBondContact O-N 3.01Å; D1481-L1484 PolarHBondContact O-N 2.82Å; D1481-F1485 WeakPolarHBondContact O-CB 3.23Å; D1481-F1485 PolarHBondContact O-N 3.13Å |
| 1482 | T | 85.8 | Confident | 86.6 | Confident | 85 Ų | 85 | 109.8 Ų | 109.8 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 179 | -48.7 | 0 | 0 | 0 | 0 | 109.9 | L1478 E1479 K1480 L1484 F1485 T1486 | L1478-T1482 WeakPolarHBondContact O-CB 2.95Å; L1478-T1482 PolarHBondContact O-N 3.31Å; L1478-T1482 PolarHBondContact O-OG1 3.24Å; E1479-T1482 PolarHBondContact O-N 2.85Å; K1480-T1482 VanDerWaalsContact C-N 3.29Å; T1482-L1484 VanDerWaalsContact C-N 3.3Å; T1482-L1484 PolarHBondContact O-N 3.15Å; T1482-F1485 PolarHBondContact O-N 3.24Å; T1482-T1486 WeakPolarHBondContact O-CB 3.43Å; T1482-T1486 VanDerWaalsContact O-CG2 3.26Å; T1482-T1486 WeakPolarHBondContact O-CG2 3.26Å; T1482-T1486 PolarHBondContact O-N 2.91Å; T1482-T1486 PolarHBondContact O-OG1 3.04Å |
| 1483 | K | 87.2 | Confident | 86.8 | Confident | 142 Ų | 142 | 114 Ų | 114 | 62% | 0.617 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.6 | -37.5 | 179.8 | -81.8 | -176.5 | -175.7 | 176.7 | 0 | 110.7 | E1479 K1480 D1481 F1485 T1486 Q1487 | E1479-K1483 WeakPolarHBondContact O-CG 3.28Å; E1479-K1483 PolarHBondContact O-N 3.02Å; K1480-K1483 PolarHBondContact O-N 3.25Å; D1481-K1483 PolarHBondContact O-N 3.01Å; K1483-F1485 VanDerWaalsContact C-N 3.3Å; K1483-T1486 WeakPolarHBondContact CA-OG1 3.37Å; K1483-T1486 PolarHBondContact O-N 3.4Å; K1483-T1486 PolarHBondContact O-OG1 2.89Å; K1483-Q1487 WeakPolarHBondContact O-CG 3.35Å; K1483-Q1487 PolarHBondContact O-N 3.04Å |
| 1484 | L | 86.7 | Confident | 86.8 | Confident | 115 Ų | 115 | 112.5 Ų | 112.5 | 60% | 0.602 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | 0 | 177.1 | -148.9 | 130.5 | 0 | 0 | 0 | 111.4 | K1480 D1481 T1482 T1486 Q1487 K1488 | K1480-L1484 PolarHBondContact O-N 3.34Å; D1481-L1484 PolarHBondContact O-N 2.82Å; T1482-L1484 VanDerWaalsContact C-N 3.3Å; T1482-L1484 PolarHBondContact O-N 3.15Å; L1484-T1486 PolarHBondContact O-N 3.41Å; L1484-Q1487 PolarHBondContact O-N 3.35Å; L1484-K1488 WeakPolarHBondContact O-CB 3.33Å; L1484-K1488 PolarHBondContact O-N 3.21Å |
| 1485 | F | 87.5 | Confident | 87.1 | Confident | 126 Ų | 126 | 112 Ų | 112 | 55% | 0.553 | 54% | 0.537 | S | S | * | . | H | α-helix | 0 | -37.6 | 0 | -171.3 | -98.2 | 0 | 0 | 0 | 110.4 | D1481 T1482 K1483 Q1487 K1488 N1489 | D1481-F1485 WeakPolarHBondContact O-CB 3.23Å; D1481-F1485 PolarHBondContact O-N 3.13Å; T1482-F1485 PolarHBondContact O-N 3.24Å; K1483-F1485 VanDerWaalsContact C-N 3.3Å; F1485-Q1487 VanDerWaalsContact C-N 3.3Å; F1485-Q1487 PolarHBondContact O-N 3.05Å; F1485-K1488 PolarHBondContact O-N 3.19Å; F1485-N1489 VanDerWaalsContact CE1-ND2 3.33Å; F1485-N1489 WeakPolarHBondContact CE1-ND2 3.43Å; F1485-N1489 PolarHBondContact O-N 3.22Å | |
| 1486 | T | 88.8 | Confident | 87.3 | Confident | 66 Ų | 66 | 112.1 Ų | 112.1 | 41% | 0.405 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.8 | -38.3 | -179.8 | 45.2 | 0 | 0 | 0 | 0 | 109.9 | T1482 K1483 L1484 K1488 N1489 E1490 | T1482-T1486 WeakPolarHBondContact O-CB 3.43Å; T1482-T1486 VanDerWaalsContact O-CG2 3.26Å; T1482-T1486 WeakPolarHBondContact O-CG2 3.26Å; T1482-T1486 PolarHBondContact O-N 2.91Å; T1482-T1486 PolarHBondContact O-OG1 3.04Å; K1483-T1486 WeakPolarHBondContact CA-OG1 3.37Å; K1483-T1486 PolarHBondContact O-N 3.4Å; K1483-T1486 PolarHBondContact O-OG1 2.89Å; L1484-T1486 PolarHBondContact O-N 3.41Å; T1486-K1488 VanDerWaalsContact C-N 3.34Å; T1486-N1489 PolarHBondContact O-N 3.28Å; T1486-E1490 PolarHBondContact O-N 3.06Å |
| 1487 | Q | 87.2 | Confident | 87.3 | Confident | 130 Ų | 130 | 112.1 Ų | 112.1 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.6 | -37.1 | 179.5 | -77.6 | -176.3 | -14.2 | 0 | 0 | 111.1 | K1483 L1484 F1485 E1490 M1491 | K1483-Q1487 WeakPolarHBondContact O-CG 3.35Å; K1483-Q1487 PolarHBondContact O-N 3.04Å; L1484-Q1487 PolarHBondContact O-N 3.35Å; F1485-Q1487 VanDerWaalsContact C-N 3.3Å; F1485-Q1487 PolarHBondContact O-N 3.05Å; Q1487-E1490 PolarHBondContact O-N 3.3Å; Q1487-M1491 WeakPolarHBondContact O-CG 3.46Å; Q1487-M1491 PolarHBondContact O-N 3.39Å |
| 1488 | K | 89.6 | Confident | 87.2 | Confident | 128 Ų | 128 | 113.8 Ų | 113.8 | 56% | 0.557 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.5 | 0 | 176.7 | -162.6 | 176.6 | 172.7 | 171.7 | 0 | 111.1 | L1484 F1485 T1486 E1490 M1491 E1492 | L1484-K1488 WeakPolarHBondContact O-CB 3.33Å; L1484-K1488 PolarHBondContact O-N 3.21Å; F1485-K1488 PolarHBondContact O-N 3.19Å; T1486-K1488 VanDerWaalsContact C-N 3.34Å; K1488-E1490 PolarHBondContact O-N 3.18Å; K1488-M1491 CarbonylContact O-C 3.18Å; K1488-M1491 WeakPolarHBondContact O-CA 3.45Å; K1488-M1491 VanDerWaalsContact O-CB 3.29Å; K1488-M1491 WeakPolarHBondContact O-CB 3.05Å; K1488-M1491 PolarHBondContact O-N 3.35Å; K1488-E1492 PolarHBondContact O-N 3.38Å |
| 1489 | N | 88.6 | Confident | 87.2 | Confident | 80 Ų | 80 | 115 Ų | 115 | 43% | 0.428 | 55% | 0.551 | S | S | . | * | H | α-helix | 0 | -32.9 | 0 | -101.2 | -2 | 0 | 0 | 0 | 110.9 | F1485 T1486 M1491 E1492 K1493 | F1485-N1489 VanDerWaalsContact CE1-ND2 3.33Å; F1485-N1489 WeakPolarHBondContact CE1-ND2 3.43Å; F1485-N1489 PolarHBondContact O-N 3.22Å; T1486-N1489 PolarHBondContact O-N 3.28Å; N1489-M1491 PolarHBondContact O-N 3.21Å; N1489-E1492 PolarHBondContact O-N 2.93Å; N1489-K1493 WeakPolarHBondContact O-CB 3.11Å; N1489-K1493 PolarHBondContact O-N 2.98Å | |
| 1490 | E | 88.8 | Confident | 87.1 | Confident | 127 Ų | 127 | 114.2 Ų | 114.2 | 59% | 0.593 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.2 | -33.9 | 179.3 | -87.6 | 179.9 | 178.8 | 0 | 0 | 110.8 | T1486 Q1487 K1488 E1492 K1493 L1494 | T1486-E1490 PolarHBondContact O-N 3.06Å; Q1487-E1490 PolarHBondContact O-N 3.3Å; K1488-E1490 PolarHBondContact O-N 3.18Å; E1490-E1492 VanDerWaalsContact C-N 3.34Å; E1490-K1493 PolarHBondContact O-N 3.43Å; E1490-L1494 WeakPolarHBondContact O-CG 3.42Å; E1490-L1494 PolarHBondContact O-N 2.91Å |
| 1491 | M | 84.8 | Confident | 86.8 | Confident | 117 Ų | 117 | 110.2 Ų | 110.2 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.9 | -41.7 | 178.2 | -81 | -118 | -55.2 | 0 | 0 | 111 | Q1487 K1488 N1489 K1493 L1494 K1495 | Q1487-M1491 WeakPolarHBondContact O-CG 3.46Å; Q1487-M1491 PolarHBondContact O-N 3.39Å; K1488-M1491 CarbonylContact O-C 3.18Å; K1488-M1491 WeakPolarHBondContact O-CA 3.45Å; K1488-M1491 VanDerWaalsContact O-CB 3.29Å; K1488-M1491 WeakPolarHBondContact O-CB 3.05Å; K1488-M1491 PolarHBondContact O-N 3.35Å; N1489-M1491 PolarHBondContact O-N 3.21Å; M1491-K1493 VanDerWaalsContact C-N 3.28Å; M1491-L1494 PolarHBondContact O-N 3.4Å; M1491-K1495 PolarHBondContact O-N 2.85Å |
| 1492 | E | 87.8 | Confident | 86.7 | Confident | 105 Ų | 105 | 110.4 Ų | 110.4 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.5 | 0 | 179.2 | -88.5 | -173.9 | 177.1 | 0 | 0 | 110.6 | K1488 N1489 E1490 L1494 K1495 E1496 | K1488-E1492 PolarHBondContact O-N 3.38Å; N1489-E1492 PolarHBondContact O-N 2.93Å; E1490-E1492 VanDerWaalsContact C-N 3.34Å; E1492-L1494 PolarHBondContact O-N 3.34Å; E1492-K1495 WeakPolarHBondContact O-CB 3.19Å; E1492-K1495 PolarHBondContact O-N 2.84Å; E1492-K1495 VanDerWaalsContact O-N 3.16Å; E1492-E1496 PolarHBondContact O-N 3.22Å |
| 1493 | K | 87.3 | Confident | 86.6 | Confident | 140 Ų | 140 | 114.9 Ų | 114.9 | 61% | 0.609 | 54% | 0.544 | S | S | * | . | H | α-helix | 0 | -39.7 | 0 | -157 | 175.2 | 175.6 | 178.7 | 0 | 110.5 | N1489 E1490 M1491 K1495 E1496 Q1497 | N1489-K1493 WeakPolarHBondContact O-CB 3.11Å; N1489-K1493 PolarHBondContact O-N 2.98Å; E1490-K1493 PolarHBondContact O-N 3.43Å; M1491-K1493 VanDerWaalsContact C-N 3.28Å; K1493-K1495 PolarHBondContact O-N 2.92Å; K1493-E1496 PolarHBondContact O-N 3.45Å; K1493-Q1497 VanDerWaalsContact O-CG 3.3Å; K1493-Q1497 WeakPolarHBondContact O-CG 3.44Å; K1493-Q1497 PolarHBondContact O-N 3.17Å | |
| 1494 | L | 86.7 | Confident | 86.4 | Confident | 115 Ų | 115 | 113.5 Ų | 113.5 | 60% | 0.602 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.1 | -32.1 | -179.5 | -77.5 | 168.7 | 0 | 0 | 0 | 110.8 | E1490 M1491 E1492 Q1497 L1498 | E1490-L1494 WeakPolarHBondContact O-CG 3.42Å; E1490-L1494 PolarHBondContact O-N 2.91Å; M1491-L1494 PolarHBondContact O-N 3.4Å; E1492-L1494 PolarHBondContact O-N 3.34Å; L1494-Q1497 PolarHBondContact O-N 2.99Å; L1494-L1498 WeakPolarHBondContact O-CB 2.83Å; L1494-L1498 PolarHBondContact O-N 2.77Å |
| 1495 | K | 89.2 | Confident | 86.1 | Confident | 132 Ų | 132 | 115.5 Ų | 115.5 | 57% | 0.574 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.7 | -44.8 | 176.5 | -91.1 | -174.8 | -175.8 | -179.7 | 0 | 111.1 | M1491 E1492 K1493 Q1497 L1498 E1499 | M1491-K1495 PolarHBondContact O-N 2.85Å; E1492-K1495 WeakPolarHBondContact O-CB 3.19Å; E1492-K1495 PolarHBondContact O-N 2.84Å; E1492-K1495 VanDerWaalsContact O-N 3.16Å; K1493-K1495 PolarHBondContact O-N 2.92Å; K1495-Q1497 PolarHBondContact O-N 3.45Å; K1495-L1498 VanDerWaalsContact O-CB 3.31Å; K1495-L1498 WeakPolarHBondContact O-CB 3.01Å; K1495-L1498 PolarHBondContact O-N 2.96Å; K1495-L1498 VanDerWaalsContact O-N 3.13Å; K1495-E1499 WeakPolarHBondContact O-CG 3.49Å; K1495-E1499 PolarHBondContact O-N 3.38Å |
| 1496 | E | 87.7 | Confident | 85.9 | Confident | 135 Ų | 135 | 113.3 Ų | 113.3 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.7 | 0 | 178.1 | -102.5 | 177.4 | -175.8 | 0 | 0 | 110.6 | E1492 K1493 L1498 E1499 E1500 | E1492-E1496 PolarHBondContact O-N 3.22Å; K1493-E1496 PolarHBondContact O-N 3.45Å; E1496-L1498 PolarHBondContact O-N 2.47Å; E1496-E1499 PolarHBondContact O-N 3.13Å; E1496-E1500 WeakPolarHBondContact O-CB 3.13Å; E1496-E1500 PolarHBondContact O-N 2.84Å |
| 1497 | Q | 86.2 | Confident | 85.6 | Confident | 113 Ų | 113 | 114.6 Ų | 114.6 | 53% | 0.528 | 54% | 0.543 | S | S | . | . | H | α-helix | 0 | -32.7 | 0 | -77.4 | 179.2 | -10.8 | 0 | 0 | 110.5 | K1493 L1494 K1495 E1499 E1500 S1501 | K1493-Q1497 VanDerWaalsContact O-CG 3.3Å; K1493-Q1497 WeakPolarHBondContact O-CG 3.44Å; K1493-Q1497 PolarHBondContact O-N 3.17Å; L1494-Q1497 PolarHBondContact O-N 2.99Å; K1495-Q1497 PolarHBondContact O-N 3.45Å; Q1497-E1499 VanDerWaalsContact C-N 3.29Å; Q1497-E1500 PolarHBondContact O-N 2.91Å; Q1497-S1501 VanDerWaalsContact O-CB 3.3Å; Q1497-S1501 WeakPolarHBondContact O-CB 3.12Å; Q1497-S1501 PolarHBondContact O-N 2.76Å | |
| 1498 | L | 84.3 | Confident | 85.3 | Confident | 103 Ų | 103 | 113.4 Ų | 113.4 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.4 | -44.3 | 178.2 | -179.7 | 69.2 | 0 | 0 | 0 | 111 | L1494 K1495 E1496 E1500 S1501 E1502 | L1494-L1498 WeakPolarHBondContact O-CB 2.83Å; L1494-L1498 PolarHBondContact O-N 2.77Å; K1495-L1498 VanDerWaalsContact O-CB 3.31Å; K1495-L1498 WeakPolarHBondContact O-CB 3.01Å; K1495-L1498 PolarHBondContact O-N 2.96Å; K1495-L1498 VanDerWaalsContact O-N 3.13Å; E1496-L1498 PolarHBondContact O-N 2.47Å; L1498-E1500 VanDerWaalsContact C-N 3.3Å; L1498-E1500 PolarHBondContact O-N 1.27Å; L1498-S1501 PolarHBondContact O-N 2.94Å; L1498-E1502 VanDerWaalsContact O-CG 3.3Å; L1498-E1502 WeakPolarHBondContact O-CG 3.34Å; L1498-E1502 PolarHBondContact O-N 3.26Å |
| 1499 | E | 85.9 | Confident | 84.9 | Confident | 107 Ų | 107 | 110 Ų | 110 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 179 | -76.5 | 177.6 | 178.7 | 0 | 0 | 111.4 | K1495 E1496 Q1497 S1501 E1502 R1503 | K1495-E1499 WeakPolarHBondContact O-CG 3.49Å; K1495-E1499 PolarHBondContact O-N 3.38Å; E1496-E1499 PolarHBondContact O-N 3.13Å; Q1497-E1499 VanDerWaalsContact C-N 3.29Å; E1499-S1501 PolarHBondContact O-N 3.45Å; E1499-E1502 CarbonylContact O-C 3.55Å; E1499-E1502 WeakPolarHBondContact O-CB 3.28Å; E1499-E1502 PolarHBondContact O-N 3.43Å; E1499-E1502 VanDerWaalsContact O-N 3.11Å; E1499-R1503 PolarHBondContact O-N 3.15Å |
| 1500 | E | 85.1 | Confident | 84.5 | Confident | 99 Ų | 99 | 112.7 Ų | 112.7 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 178.1 | -178.2 | 64.4 | -157.5 | 0 | 0 | 110.3 | E1496 Q1497 L1498 E1502 R1503 Q1504 | E1496-E1500 WeakPolarHBondContact O-CB 3.13Å; E1496-E1500 PolarHBondContact O-N 2.84Å; Q1497-E1500 PolarHBondContact O-N 2.91Å; L1498-E1500 VanDerWaalsContact C-N 3.3Å; L1498-E1500 PolarHBondContact O-N 1.27Å; E1500-E1502 PolarHBondContact O-N 2.5Å; E1500-R1503 PolarHBondContact O-N 3.2Å; E1500-Q1504 PolarHBondContact O-N 3.43Å |
| 1501 | S | 80.4 | Confident | 83.9 | Confident | 65 Ų | 65 | 110.9 Ų | 110.9 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.4 | -32.9 | 179.8 | -179.7 | 0 | 0 | 0 | 0 | 111 | Q1497 L1498 E1499 Q1504 R1505 | Q1497-S1501 VanDerWaalsContact O-CB 3.3Å; Q1497-S1501 WeakPolarHBondContact O-CB 3.12Å; Q1497-S1501 PolarHBondContact O-N 2.76Å; L1498-S1501 PolarHBondContact O-N 2.94Å; E1499-S1501 PolarHBondContact O-N 3.45Å; S1501-Q1504 PolarHBondContact O-N 3.1Å; S1501-R1505 WeakPolarHBondContact O-CB 3.4Å; S1501-R1505 PolarHBondContact O-N 3.31Å |
| 1502 | E | 84.8 | Confident | 83.4 | Confident | 89 Ų | 89 | 111.3 Ų | 111.3 | 42% | 0.416 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.4 | -39.3 | 178.7 | -77.4 | 177.3 | 169.8 | 0 | 0 | 111.4 | L1498 E1499 E1500 Q1504 R1505 S1506 | L1498-E1502 VanDerWaalsContact O-CG 3.3Å; L1498-E1502 WeakPolarHBondContact O-CG 3.34Å; L1498-E1502 PolarHBondContact O-N 3.26Å; E1499-E1502 CarbonylContact O-C 3.55Å; E1499-E1502 WeakPolarHBondContact O-CB 3.28Å; E1499-E1502 PolarHBondContact O-N 3.43Å; E1499-E1502 VanDerWaalsContact O-N 3.11Å; E1500-E1502 PolarHBondContact O-N 2.5Å; E1502-Q1504 VanDerWaalsContact C-N 3.28Å; E1502-Q1504 PolarHBondContact O-N 3.29Å; E1502-R1505 WeakPolarHBondContact O-CB 3.39Å; E1502-R1505 PolarHBondContact O-N 3Å; E1502-S1506 PolarHBondContact O-N 2.94Å |
| 1503 | R | 84.3 | Confident | 82.8 | Confident | 179 Ų | 179 | 113.4 Ų | 113.4 | 68% | 0.675 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.8 | -39.2 | 177.4 | -109.2 | -175.7 | -176.2 | 130.9 | -0.9 | 110.7 | E1499 E1500 R1505 S1506 L1507 | E1499-R1503 PolarHBondContact O-N 3.15Å; E1500-R1503 PolarHBondContact O-N 3.2Å; R1503-R1505 PolarHBondContact O-N 3.41Å; R1503-S1506 WeakPolarHBondContact O-CB 3.1Å; R1503-S1506 PolarHBondContact O-N 3.33Å; R1503-L1507 WeakPolarHBondContact O-CB 3.15Å; R1503-L1507 PolarHBondContact O-N 3.08Å |
| 1504 | Q | 83.7 | Confident | 81.8 | Confident | 112 Ų | 112 | 110.7 Ų | 110.7 | 52% | 0.523 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 179.9 | -82.2 | -176.7 | -12.5 | 0 | 0 | 110.5 | E1500 S1501 E1502 S1506 L1507 L1508 | E1500-Q1504 PolarHBondContact O-N 3.43Å; S1501-Q1504 PolarHBondContact O-N 3.1Å; E1502-Q1504 VanDerWaalsContact C-N 3.28Å; E1502-Q1504 PolarHBondContact O-N 3.29Å; Q1504-S1506 PolarHBondContact O-N 3.42Å; Q1504-L1507 PolarHBondContact O-N 2.96Å; Q1504-L1508 WeakPolarHBondContact O-CB 3.38Å; Q1504-L1508 WeakPolarHBondContact O-CG 3.26Å; Q1504-L1508 PolarHBondContact O-N 2.77Å |
| 1505 | R | 80.1 | Confident | 80.8 | Confident | 158 Ų | 158 | 111.2 Ų | 111.2 | 60% | 0.596 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.2 | -43.9 | 177.8 | -157 | 177.4 | 18.6 | -159 | -2 | 111.3 | S1501 E1502 R1503 L1507 L1508 A1509 | S1501-R1505 WeakPolarHBondContact O-CB 3.4Å; S1501-R1505 PolarHBondContact O-N 3.31Å; E1502-R1505 WeakPolarHBondContact O-CB 3.39Å; E1502-R1505 PolarHBondContact O-N 3Å; R1503-R1505 PolarHBondContact O-N 3.41Å; R1505-L1507 VanDerWaalsContact C-N 3.32Å; R1505-L1508 PolarHBondContact O-N 3.24Å; R1505-A1509 PolarHBondContact O-N 2.87Å |
| 1506 | S | 83.3 | Confident | 79.6 | Confident | 80 Ų | 80 | 106.9 Ų | 106.9 | 56% | 0.559 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 178.9 | -179 | 0 | 0 | 0 | 0 | 111.4 | E1502 R1503 Q1504 L1508 A1509 R1510 | E1502-S1506 PolarHBondContact O-N 2.94Å; R1503-S1506 WeakPolarHBondContact O-CB 3.1Å; R1503-S1506 PolarHBondContact O-N 3.33Å; Q1504-S1506 PolarHBondContact O-N 3.42Å; S1506-L1508 VanDerWaalsContact C-N 3.26Å; S1506-L1508 PolarHBondContact O-N 3.45Å; S1506-A1509 WeakPolarHBondContact O-CB 3.49Å; S1506-A1509 PolarHBondContact O-N 2.87Å; S1506-R1510 PolarHBondContact O-N 2.82Å |
| 1507 | L | 82.6 | Confident | 78.3 | Confident | 93 Ų | 93 | 103.5 Ų | 103.5 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.8 | 0 | 179.7 | -152.9 | 105.8 | 0 | 0 | 0 | 110.3 | R1503 Q1504 R1505 A1509 R1510 E1511 | R1503-L1507 WeakPolarHBondContact O-CB 3.15Å; R1503-L1507 PolarHBondContact O-N 3.08Å; Q1504-L1507 PolarHBondContact O-N 2.96Å; R1505-L1507 VanDerWaalsContact C-N 3.32Å; L1507-A1509 PolarHBondContact O-N 2.97Å; L1507-R1510 WeakPolarHBondContact O-CB 3.3Å; L1507-R1510 PolarHBondContact O-N 3.23Å; L1507-R1510 VanDerWaalsContact O-N 3.12Å; L1507-E1511 PolarHBondContact O-N 2.96Å |
| 1508 | L | 79.8 | Confident | 76.9 | Confident | 105 Ų | 105 | 103.2 Ų | 103.2 | 55% | 0.55 | 52% | 0.52 | S | S | . | . | H | α-helix | 0 | -32.3 | 0 | -79.8 | 164.6 | 0 | 0 | 0 | 110.2 | Q1504 R1505 S1506 R1510 E1511 L1512 | Q1504-L1508 WeakPolarHBondContact O-CB 3.38Å; Q1504-L1508 WeakPolarHBondContact O-CG 3.26Å; Q1504-L1508 PolarHBondContact O-N 2.77Å; R1505-L1508 PolarHBondContact O-N 3.24Å; S1506-L1508 VanDerWaalsContact C-N 3.26Å; S1506-L1508 PolarHBondContact O-N 3.45Å; L1508-R1510 VanDerWaalsContact C-N 3.31Å; L1508-E1511 PolarHBondContact O-N 3Å; L1508-L1512 WeakPolarHBondContact O-CB 3.35Å; L1508-L1512 WeakPolarHBondContact O-CG 3.28Å; L1508-L1512 PolarHBondContact O-N 3.15Å | |
| 1509 | A | 81.1 | Confident | 75.5 | Confident | 56 Ų | 56 | 100.8 Ų | 100.8 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1505 S1506 L1507 E1511 L1512 E1513 | R1505-A1509 PolarHBondContact O-N 2.87Å; S1506-A1509 WeakPolarHBondContact O-CB 3.49Å; S1506-A1509 PolarHBondContact O-N 2.87Å; L1507-A1509 PolarHBondContact O-N 2.97Å; A1509-E1511 VanDerWaalsContact C-N 3.26Å; A1509-L1512 PolarHBondContact O-N 3.43Å; A1509-E1513 PolarHBondContact O-N 3.07Å |
| 1510 | R | 80.2 | Confident | 74.1 | Confident | 136 Ų | 136 | 102.6 Ų | 102.6 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 178 | -166 | 177 | 72.9 | 114.7 | -1.9 | 111 | S1506 L1507 L1508 L1512 E1513 E1514 | S1506-R1510 PolarHBondContact O-N 2.82Å; L1507-R1510 WeakPolarHBondContact O-CB 3.3Å; L1507-R1510 PolarHBondContact O-N 3.23Å; L1507-R1510 VanDerWaalsContact O-N 3.12Å; L1508-R1510 VanDerWaalsContact C-N 3.31Å; R1510-L1512 PolarHBondContact O-N 3.42Å; R1510-E1513 WeakPolarHBondContact O-CB 3.27Å; R1510-E1513 PolarHBondContact O-N 3.22Å; R1510-E1513 VanDerWaalsContact O-N 3.12Å; R1510-E1514 IonicContact CZ-OE1 3.43Å; R1510-E1514 IonicContact NH1-OE1 3.97Å; R1510-E1514 PolarHBondContact NH1-OE1 2.85Å; R1510-E1514 WeakPolarHBondContact O-CB 3.48Å; R1510-E1514 PolarHBondContact O-N 2.94Å |
| 1511 | E | 75.6 | Confident | 72.5 | Confident | 90 Ų | 90 | 103.1 Ų | 103.1 | 42% | 0.421 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | -179.6 | -89.7 | -177.6 | 178.4 | 0 | 0 | 110.2 | L1507 L1508 A1509 E1513 E1514 L1515 | L1507-E1511 PolarHBondContact O-N 2.96Å; L1508-E1511 PolarHBondContact O-N 3Å; A1509-E1511 VanDerWaalsContact C-N 3.26Å; E1511-E1513 VanDerWaalsContact C-N 3.27Å; E1511-E1513 PolarHBondContact O-N 3.42Å; E1511-E1514 PolarHBondContact O-N 3.05Å; E1511-L1515 WeakPolarHBondContact O-CB 3.23Å; E1511-L1515 PolarHBondContact O-N 3.16Å |
| 1512 | L | 74.4 | Confident | 71.1 | Confident | 125 Ų | 125 | 104.6 Ų | 104.6 | 65% | 0.654 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.2 | -36.1 | 177.8 | -85.6 | 165.8 | 0 | 0 | 0 | 111 | L1508 A1509 R1510 L1515 G1516 | L1508-L1512 WeakPolarHBondContact O-CB 3.35Å; L1508-L1512 WeakPolarHBondContact O-CG 3.28Å; L1508-L1512 PolarHBondContact O-N 3.15Å; A1509-L1512 PolarHBondContact O-N 3.43Å; R1510-L1512 PolarHBondContact O-N 3.42Å; L1512-L1515 PolarHBondContact O-N 2.9Å; L1512-G1516 PolarHBondContact O-N 2.99Å |
| 1513 | E | 75.4 | Confident | 69.3 | Low | 149 Ų | 149 | 103.5 Ų | 103.5 | 70% | 0.696 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.5 | -40.9 | 176.4 | -144.9 | 175.9 | -178 | 0 | 0 | 111.4 | A1509 R1510 E1511 L1515 G1516 S1517 | A1509-E1513 PolarHBondContact O-N 3.07Å; R1510-E1513 WeakPolarHBondContact O-CB 3.27Å; R1510-E1513 PolarHBondContact O-N 3.22Å; R1510-E1513 VanDerWaalsContact O-N 3.12Å; E1511-E1513 VanDerWaalsContact C-N 3.27Å; E1511-E1513 PolarHBondContact O-N 3.42Å; E1513-L1515 VanDerWaalsContact C-N 3.28Å; E1513-G1516 PolarHBondContact O-N 3.24Å; E1513-S1517 PolarHBondContact O-N 3.15Å |
| 1514 | E | 66.9 | Low | 67.4 | Low | 84 Ų | 84 | 104.7 Ų | 104.7 | 39% | 0.393 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.9 | 0 | -179.3 | -89.8 | -178.5 | -179.7 | 0 | 0 | 110.5 | R1510 E1511 G1516 S1517 H1518 | R1510-E1514 IonicContact CZ-OE1 3.43Å; R1510-E1514 IonicContact NH1-OE1 3.97Å; R1510-E1514 PolarHBondContact NH1-OE1 2.85Å; R1510-E1514 WeakPolarHBondContact O-CB 3.48Å; R1510-E1514 PolarHBondContact O-N 2.94Å; E1511-E1514 PolarHBondContact O-N 3.05Å; E1514-G1516 VanDerWaalsContact C-N 3.31Å; E1514-S1517 PolarHBondContact O-N 2.98Å; E1514-S1517 PolarHBondContact O-OG 3.08Å; E1514-H1518 WeakPolarHBondContact O-CB 3.46Å; E1514-H1518 PolarHBondContact O-N 3.18Å; E1514-H1518 VanDerWaalsContact O-N 3.13Å; E1514-H1518 PolarHBondContact O-ND1 2.66Å |
| 1515 | L | 64.9 | Low | 65.8 | Low | 125 Ų | 125 | 103.8 Ų | 103.8 | 65% | 0.654 | 58% | 0.584 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -88.6 | 156.7 | 0 | 0 | 0 | 110 | E1511 L1512 E1513 H1518 G1519 | E1511-L1515 WeakPolarHBondContact O-CB 3.23Å; E1511-L1515 PolarHBondContact O-N 3.16Å; L1512-L1515 PolarHBondContact O-N 2.9Å; E1513-L1515 VanDerWaalsContact C-N 3.28Å; L1515-H1518 PolarHBondContact O-N 3.31Å; L1515-G1519 PolarHBondContact O-N 3.49Å | |
| 1516 | G | 64.2 | Low | 64.3 | Low | 41 Ų | 41 | 103.9 Ų | 103.9 | 42% | 0.423 | 60% | 0.595 | S | S | . | * | H | α-helix | 0 | -31.4 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1512 E1513 E1514 H1518 G1519 | L1512-G1516 PolarHBondContact O-N 2.99Å; E1513-G1516 PolarHBondContact O-N 3.24Å; E1514-G1516 VanDerWaalsContact C-N 3.31Å; G1516-H1518 VanDerWaalsContact C-N 3.26Å; G1516-G1519 PolarHBondContact O-N 2.82Å | |
| 1517 | S | 61 | Low | 62.9 | Low | 65 Ų | 65 | 104.1 Ų | 104.1 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -80 | -16.2 | 178.7 | 75.5 | 0 | 0 | 0 | 0 | 111 | E1513 E1514 | E1513-S1517 PolarHBondContact O-N 3.15Å; E1514-S1517 PolarHBondContact O-N 2.98Å; E1514-S1517 PolarHBondContact O-OG 3.08Å |
| 1518 | H | 56.7 | Low | 61.7 | Low | 107 Ų | 107 | 101 Ų | 101 | 50% | 0.495 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -92.7 | 0 | 179.3 | -85.4 | 75.6 | 0 | 0 | 0 | 109.9 | E1514 L1515 G1516 R1539 | E1514-H1518 WeakPolarHBondContact O-CB 3.46Å; E1514-H1518 PolarHBondContact O-N 3.18Å; E1514-H1518 VanDerWaalsContact O-N 3.13Å; E1514-H1518 PolarHBondContact O-ND1 2.66Å; L1515-H1518 PolarHBondContact O-N 3.31Å; G1516-H1518 VanDerWaalsContact C-N 3.26Å; H1518-R1539 PolarHBondContact CD2-NH2 3.46Å; H1518-R1539 PolarHBondContact NE2-NH2 3.23Å |
| 1519 | G | 55 | Low | 60.6 | Low | 52 Ų | 52 | 102 Ų | 102 | 54% | 0.536 | 59% | 0.589 | S | S | . | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1515 G1516 | L1515-G1519 PolarHBondContact O-N 3.49Å; G1516-G1519 PolarHBondContact O-N 2.82Å | |
| 1520 | D | 56.8 | Low | 59.6 | Low | 145 Ų | 145 | 106.3 Ų | 106.3 | 78% | 0.775 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | 0 | 12.5 | 0 | -84.8 | -13.7 | 0 | 0 | 0 | 110.7 | |||
| 1521 | D | 51.6 | Low | 58.8 | Low | 109 Ų | 109 | 105.1 Ų | 105.1 | 58% | 0.583 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | 0 | -180 | -93.8 | -9.9 | 0 | 0 | 0 | 109.4 | R1535 | D1521-R1535 VanDerWaalsContact CB-NH1 3.3Å; D1521-R1535 IonicContact OD2-CZ 4Å; D1521-R1535 IonicContact OD2-NH1 3.53Å; D1521-R1535 PolarHBondContact OD2-NH1 2.99Å; D1521-R1535 IonicContact OD2-NH2 3.76Å; D1521-R1535 PolarHBondContact OD2-NH2 3.22Å |
| 1522 | A | 50.9 | Low | 58.1 | Low | 97 Ų | 97 | 103.2 Ų | 103.2 | 80% | 0.802 | 60% | 0.599 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1523 | G | 46.2 | Very low | 57.8 | Low | 65 Ų | 65 | 101.6 Ų | 101.6 | 67% | 0.67 | 59% | 0.592 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1524 | K | 45.6 | Very low | 57.7 | Low | 205 Ų | 205 | 102.4 Ų | 102.4 | 89% | 0.891 | 59% | 0.589 | S | S | * | * | S | Bend | 0 | 0 | 0 | -74.1 | -174.9 | -177 | 179.1 | 0 | 109.6 | |||
| 1525 | S | 50.1 | Low | 57.9 | Low | 93 Ų | 93 | 104 Ų | 104 | 65% | 0.65 | 59% | 0.592 | S | S | * | * | 0 | 0 | 0 | 150.1 | 0 | 0 | 0 | 0 | 110.2 | V1527 G1528 | S1525-V1527 CarbonylContact O-C 2.94Å; S1525-V1527 WeakPolarHBondContact O-CA 3.49Å; S1525-V1527 PolarHBondContact O-N 2.76Å; S1525-G1528 PolarHBondContact O-N 3.3Å | |||
| 1526 | L | 48.4 | Very low | 58.2 | Low | 159 Ų | 159 | 103.5 Ų | 103.5 | 83% | 0.832 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | 0 | -12.6 | 0 | -156.2 | 104.6 | 0 | 0 | 0 | 111.3 | |||
| 1527 | V | 54 | Low | 58.8 | Low | 85 Ų | 85 | 105.9 Ų | 105.9 | 52% | 0.515 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -96.9 | 0 | 170.5 | 175.7 | 0 | 0 | 0 | 0 | 110 | S1525 Q1531 | S1525-V1527 CarbonylContact O-C 2.94Å; S1525-V1527 WeakPolarHBondContact O-CA 3.49Å; S1525-V1527 PolarHBondContact O-N 2.76Å; V1527-Q1531 PolarHBondContact O-N 3.42Å |
| 1528 | G | 56.9 | Low | 59.6 | Low | 28 Ų | 28 | 107.4 Ų | 107.4 | 29% | 0.289 | 59% | 0.592 | S | S | . | * | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.7 | S1525 Q1531 A1532 | S1525-G1528 PolarHBondContact O-N 3.3Å; G1528-Q1531 CarbonylContact O-C 2.82Å; G1528-Q1531 PolarHBondContact O-N 2.84Å; G1528-A1532 WeakPolarHBondContact O-CA 3.49Å; G1528-A1532 WeakPolarHBondContact O-CB 3.48Å; G1528-A1532 PolarHBondContact O-N 3.43Å | |
| 1529 | L | 56.5 | Low | 60.6 | Low | 126 Ų | 126 | 109 Ų | 109 | 66% | 0.66 | 59% | 0.594 | S | S | * | * | H | α-helix | 0 | -29 | 0 | -103.3 | 145.2 | 0 | 0 | 0 | 111 | Q1531 N1533 | L1529-Q1531 VanDerWaalsContact C-N 3.32Å; L1529-N1533 WeakPolarHBondContact O-CA 3.43Å; L1529-N1533 WeakPolarHBondContact O-CB 3.46Å; L1529-N1533 PolarHBondContact O-N 2.77Å | |
| 1530 | E | 59.8 | Low | 61.7 | Low | 147 Ų | 147 | 110.3 Ų | 110.3 | 69% | 0.687 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -76.2 | -29.3 | 174.2 | -91.7 | 178.3 | 178.3 | 0 | 0 | 110.9 | Y1534 | E1530-Y1534 WeakPolarHBondContact O-CB 3.29Å; E1530-Y1534 PolarHBondContact O-N 2.91Å |
| 1531 | Q | 63.2 | Low | 62.9 | Low | 111 Ų | 111 | 110.5 Ų | 110.5 | 52% | 0.519 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -82.1 | -31 | 176.2 | -85.5 | 178.3 | -3.3 | 0 | 0 | 110.6 | V1527 G1528 L1529 Y1534 R1535 | V1527-Q1531 PolarHBondContact O-N 3.42Å; G1528-Q1531 CarbonylContact O-C 2.82Å; G1528-Q1531 PolarHBondContact O-N 2.84Å; L1529-Q1531 VanDerWaalsContact C-N 3.32Å; Q1531-Y1534 WeakPolarHBondContact O-CB 3.39Å; Q1531-Y1534 PolarHBondContact O-N 3.42Å; Q1531-R1535 WeakPolarHBondContact O-CB 3.5Å; Q1531-R1535 WeakPolarHBondContact O-CG 3.43Å; Q1531-R1535 PolarHBondContact O-N 3.13Å |
| 1532 | A | 62.5 | Low | 64.3 | Low | 49 Ų | 49 | 110.1 Ų | 110.1 | 41% | 0.405 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.4 | -42.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G1528 Y1534 R1535 L1536 | G1528-A1532 WeakPolarHBondContact O-CA 3.49Å; G1528-A1532 WeakPolarHBondContact O-CB 3.48Å; G1528-A1532 PolarHBondContact O-N 3.43Å; A1532-Y1534 PolarHBondContact O-N 2.94Å; A1532-R1535 PolarHBondContact O-N 3.48Å; A1532-L1536 VanDerWaalsContact O-CB 3.3Å; A1532-L1536 WeakPolarHBondContact O-CB 3.48Å; A1532-L1536 PolarHBondContact O-N 2.62Å |
| 1533 | N | 68.2 | Low | 65.8 | Low | 92 Ų | 92 | 108.7 Ų | 108.7 | 49% | 0.492 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.9 | -35.7 | 172.6 | -129.6 | -32.6 | 0 | 0 | 0 | 111.6 | L1529 R1535 N1537 | L1529-N1533 WeakPolarHBondContact O-CA 3.43Å; L1529-N1533 WeakPolarHBondContact O-CB 3.46Å; L1529-N1533 PolarHBondContact O-N 2.77Å; N1533-R1535 VanDerWaalsContact C-N 3.32Å; N1533-N1537 WeakPolarHBondContact O-CB 3.48Å; N1533-N1537 PolarHBondContact O-N 2.81Å; N1533-N1537 PolarHBondContact O-ND2 2.79Å |
| 1534 | Y | 72.9 | Confident | 67.6 | Low | 166 Ų | 166 | 110.8 Ų | 110.8 | 65% | 0.651 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.3 | -40 | 175.8 | -168.6 | -98.5 | 0 | 0 | 0 | 110.3 | E1530 Q1531 A1532 N1537 E1538 | E1530-Y1534 WeakPolarHBondContact O-CB 3.29Å; E1530-Y1534 PolarHBondContact O-N 2.91Å; Q1531-Y1534 WeakPolarHBondContact O-CB 3.39Å; Q1531-Y1534 PolarHBondContact O-N 3.42Å; A1532-Y1534 PolarHBondContact O-N 2.94Å; Y1534-N1537 PolarHBondContact O-N 3.48Å; Y1534-E1538 WeakPolarHBondContact O-CB 3.46Å; Y1534-E1538 PolarHBondContact O-N 3.34Å |
| 1535 | R | 69.5 | Low | 69.5 | Low | 116 Ų | 116 | 106 Ų | 106 | 44% | 0.438 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72 | -41.8 | -179.8 | -78.7 | -172.7 | -169.8 | 167.7 | -1.1 | 110.3 | D1521 Q1531 A1532 N1533 N1537 E1538 R1539 | D1521-R1535 VanDerWaalsContact CB-NH1 3.3Å; D1521-R1535 IonicContact OD2-CZ 4Å; D1521-R1535 IonicContact OD2-NH1 3.53Å; D1521-R1535 PolarHBondContact OD2-NH1 2.99Å; D1521-R1535 IonicContact OD2-NH2 3.76Å; D1521-R1535 PolarHBondContact OD2-NH2 3.22Å; Q1531-R1535 WeakPolarHBondContact O-CB 3.5Å; Q1531-R1535 WeakPolarHBondContact O-CG 3.43Å; Q1531-R1535 PolarHBondContact O-N 3.13Å; A1532-R1535 PolarHBondContact O-N 3.48Å; N1533-R1535 VanDerWaalsContact C-N 3.32Å; R1535-N1537 VanDerWaalsContact C-N 3.31Å; R1535-E1538 WeakPolarHBondContact O-CB 3.28Å; R1535-E1538 PolarHBondContact O-N 2.88Å; R1535-R1539 PolarHBondContact O-N 2.63Å |
| 1536 | L | 71.3 | Confident | 71.3 | Confident | 115 Ų | 115 | 107.4 Ų | 107.4 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -40.4 | 172.5 | -124.8 | 126.1 | 0 | 0 | 0 | 111.1 | A1532 E1538 R1539 L1540 | A1532-L1536 VanDerWaalsContact O-CB 3.3Å; A1532-L1536 WeakPolarHBondContact O-CB 3.48Å; A1532-L1536 PolarHBondContact O-N 2.62Å; L1536-E1538 PolarHBondContact O-N 3.4Å; L1536-R1539 PolarHBondContact O-N 2.72Å; L1536-L1540 VanDerWaalsContact O-CB 3.22Å; L1536-L1540 WeakPolarHBondContact O-CB 2.86Å; L1536-L1540 PolarHBondContact O-N 3.1Å |
| 1537 | N | 76.8 | Confident | 73 | Confident | 91 Ų | 91 | 104.3 Ų | 104.3 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -33.9 | 174.8 | -87.4 | -25.8 | 0 | 0 | 0 | 111.4 | N1533 Y1534 R1535 K1541 | N1533-N1537 WeakPolarHBondContact O-CB 3.48Å; N1533-N1537 PolarHBondContact O-N 2.81Å; N1533-N1537 PolarHBondContact O-ND2 2.79Å; Y1534-N1537 PolarHBondContact O-N 3.48Å; R1535-N1537 VanDerWaalsContact C-N 3.31Å; N1537-K1541 WeakPolarHBondContact O-CB 3.12Å; N1537-K1541 PolarHBondContact O-N 3.22Å |
| 1538 | E | 79.6 | Confident | 74.4 | Confident | 97 Ų | 97 | 105.5 Ų | 105.5 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.4 | -42.6 | 175.9 | -162.2 | 179.7 | 174.5 | 0 | 0 | 110.3 | Y1534 R1535 L1536 K1541 E1542 | Y1534-E1538 WeakPolarHBondContact O-CB 3.46Å; Y1534-E1538 PolarHBondContact O-N 3.34Å; R1535-E1538 WeakPolarHBondContact O-CB 3.28Å; R1535-E1538 PolarHBondContact O-N 2.88Å; L1536-E1538 PolarHBondContact O-N 3.4Å; E1538-K1541 WeakPolarHBondContact O-CB 3.49Å; E1538-K1541 PolarHBondContact O-N 3.03Å; E1538-E1542 WeakPolarHBondContact O-CB 3.47Å; E1538-E1542 WeakPolarHBondContact O-CG 3.37Å; E1538-E1542 PolarHBondContact O-N 3.04Å |
| 1539 | R | 76 | Confident | 75.9 | Confident | 140 Ų | 140 | 108.7 Ų | 108.7 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 175.9 | -85.1 | -170.9 | -177 | 177 | -0.9 | 111.2 | H1518 R1535 L1536 K1541 E1542 T1543 | H1518-R1539 PolarHBondContact CD2-NH2 3.46Å; H1518-R1539 PolarHBondContact NE2-NH2 3.23Å; R1535-R1539 PolarHBondContact O-N 2.63Å; L1536-R1539 PolarHBondContact O-N 2.72Å; R1539-K1541 PolarHBondContact O-N 3.34Å; R1539-E1542 PolarHBondContact O-N 3.07Å; R1539-T1543 VanDerWaalsContact O-CG2 3.29Å; R1539-T1543 WeakPolarHBondContact O-CG2 3.22Å; R1539-T1543 PolarHBondContact O-N 3.04Å; R1539-T1543 PolarHBondContact O-OG1 2.88Å |
| 1540 | L | 78.9 | Confident | 77.4 | Confident | 81 Ų | 81 | 107.4 Ų | 107.4 | 42% | 0.424 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.1 | -40.7 | 173.1 | -165.7 | 120.1 | 0 | 0 | 0 | 111 | L1536 E1542 T1543 Q1544 | L1536-L1540 VanDerWaalsContact O-CB 3.22Å; L1536-L1540 WeakPolarHBondContact O-CB 2.86Å; L1536-L1540 PolarHBondContact O-N 3.1Å; L1540-E1542 VanDerWaalsContact C-N 3.31Å; L1540-T1543 VanDerWaalsContact C-OG1 3.27Å; L1540-T1543 WeakPolarHBondContact CA-OG1 3.5Å; L1540-T1543 PolarHBondContact O-N 2.57Å; L1540-T1543 PolarHBondContact O-OG1 3.2Å; L1540-Q1544 HydrophobicContact CD2-CG 4.23Å; L1540-Q1544 HydrophobicContact CG-CG 4.41Å; L1540-Q1544 WeakPolarHBondContact O-CB 3.29Å; L1540-Q1544 WeakPolarHBondContact O-CG 3.23Å; L1540-Q1544 PolarHBondContact O-N 2.92Å |
| 1541 | K | 82.1 | Confident | 78.7 | Confident | 148 Ų | 148 | 106.1 Ų | 106.1 | 64% | 0.643 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.8 | -39.5 | 176.6 | -160 | 175.1 | 174.7 | 178.9 | 0 | 110.8 | N1537 E1538 R1539 Q1545 | N1537-K1541 WeakPolarHBondContact O-CB 3.12Å; N1537-K1541 PolarHBondContact O-N 3.22Å; E1538-K1541 WeakPolarHBondContact O-CB 3.49Å; E1538-K1541 PolarHBondContact O-N 3.03Å; R1539-K1541 PolarHBondContact O-N 3.34Å; K1541-Q1545 WeakPolarHBondContact O-CB 2.86Å; K1541-Q1545 PolarHBondContact O-N 3.14Å |
| 1542 | E | 81.2 | Confident | 79.9 | Confident | 102 Ų | 102 | 105.2 Ų | 105.2 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 177.9 | -80.3 | 176.5 | -178.7 | 0 | 0 | 110.6 | E1538 R1539 L1540 Q1545 Q1546 | E1538-E1542 WeakPolarHBondContact O-CB 3.47Å; E1538-E1542 WeakPolarHBondContact O-CG 3.37Å; E1538-E1542 PolarHBondContact O-N 3.04Å; R1539-E1542 PolarHBondContact O-N 3.07Å; L1540-E1542 VanDerWaalsContact C-N 3.31Å; E1542-Q1545 WeakPolarHBondContact O-CB 1.59Å; E1542-Q1545 PolarHBondContact O-N 2.99Å; E1542-Q1546 PolarHBondContact O-N 3.03Å |
| 1543 | T | 81.1 | Confident | 81.1 | Confident | 66 Ų | 66 | 108.5 Ų | 108.5 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 176.7 | 53.8 | 0 | 0 | 0 | 0 | 110.7 | R1539 L1540 Q1545 Q1546 I1547 | R1539-T1543 VanDerWaalsContact O-CG2 3.29Å; R1539-T1543 WeakPolarHBondContact O-CG2 3.22Å; R1539-T1543 PolarHBondContact O-N 3.04Å; R1539-T1543 PolarHBondContact O-OG1 2.88Å; L1540-T1543 VanDerWaalsContact C-OG1 3.27Å; L1540-T1543 WeakPolarHBondContact CA-OG1 3.5Å; L1540-T1543 PolarHBondContact O-N 2.57Å; L1540-T1543 PolarHBondContact O-OG1 3.2Å; T1543-Q1545 PolarHBondContact O-N 3.12Å; T1543-Q1546 PolarHBondContact O-N 3.27Å; T1543-I1547 WeakPolarHBondContact O-CG1 2.25Å; T1543-I1547 PolarHBondContact O-N 2.96Å |
| 1544 | Q | 84.1 | Confident | 82.2 | Confident | 109 Ų | 109 | 109.4 Ų | 109.4 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 175.7 | -78.1 | 176.4 | -16.2 | 0 | 0 | 111.2 | L1540 Q1546 I1547 E1548 | L1540-Q1544 HydrophobicContact CD2-CG 4.23Å; L1540-Q1544 HydrophobicContact CG-CG 4.41Å; L1540-Q1544 WeakPolarHBondContact O-CB 3.29Å; L1540-Q1544 WeakPolarHBondContact O-CG 3.23Å; L1540-Q1544 PolarHBondContact O-N 2.92Å; Q1544-Q1546 VanDerWaalsContact C-N 3.33Å; Q1544-I1547 PolarHBondContact O-N 3.13Å; Q1544-E1548 WeakPolarHBondContact O-CB 2.56Å; Q1544-E1548 PolarHBondContact O-N 2.5Å |
| 1545 | Q | 87 | Confident | 82.9 | Confident | 106 Ų | 106 | 104 Ų | 104 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 175.9 | -171.1 | 171.5 | 9.4 | 0 | 0 | 110.3 | K1541 E1542 T1543 E1548 E1549 | K1541-Q1545 WeakPolarHBondContact O-CB 2.86Å; K1541-Q1545 PolarHBondContact O-N 3.14Å; E1542-Q1545 WeakPolarHBondContact O-CB 1.59Å; E1542-Q1545 PolarHBondContact O-N 2.99Å; T1543-Q1545 PolarHBondContact O-N 3.12Å; Q1545-E1548 PolarHBondContact O-N 3.25Å; Q1545-E1549 WeakPolarHBondContact O-CB 3.48Å; Q1545-E1549 WeakPolarHBondContact O-CG 3.48Å; Q1545-E1549 PolarHBondContact O-N 3.4Å |
| 1546 | Q | 87.1 | Confident | 83.8 | Confident | 122 Ų | 122 | 102 Ų | 102 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.5 | 0 | 177.7 | -86.9 | 177.7 | -5.2 | 0 | 0 | 110.9 | E1542 T1543 Q1544 E1548 E1549 L1550 | E1542-Q1546 PolarHBondContact O-N 3.03Å; T1543-Q1546 PolarHBondContact O-N 3.27Å; Q1544-Q1546 VanDerWaalsContact C-N 3.33Å; Q1546-E1548 VanDerWaalsContact C-N 3.28Å; Q1546-E1549 CarbonylContact O-C 3.1Å; Q1546-E1549 WeakPolarHBondContact O-CB 3.41Å; Q1546-E1549 PolarHBondContact O-N 2.99Å; Q1546-L1550 WeakPolarHBondContact O-CG 3.23Å; Q1546-L1550 PolarHBondContact O-N 3.41Å |
| 1547 | I | 83.7 | Confident | 84.7 | Confident | 93 Ų | 93 | 103 Ų | 103 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | 0 | -41.7 | 0 | -71.4 | 175.5 | 0 | 0 | 0 | 110.1 | T1543 Q1544 E1549 L1550 E1551 | T1543-I1547 WeakPolarHBondContact O-CG1 2.25Å; T1543-I1547 PolarHBondContact O-N 2.96Å; Q1544-I1547 PolarHBondContact O-N 3.13Å; I1547-E1549 VanDerWaalsContact C-N 3.3Å; I1547-L1550 PolarHBondContact O-N 3.4Å; I1547-E1551 HydrophobicContact CG2-CG 4.08Å; I1547-E1551 VanDerWaalsContact O-CB 3.28Å; I1547-E1551 WeakPolarHBondContact O-CB 3.06Å; I1547-E1551 VanDerWaalsContact O-CG 3.24Å; I1547-E1551 WeakPolarHBondContact O-CG 3.1Å; I1547-E1551 PolarHBondContact O-N 3.32Å | |
| 1548 | E | 85 | Confident | 85.4 | Confident | 111 Ų | 111 | 101.5 Ų | 101.5 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176.6 | -161.3 | 175 | 176.3 | 0 | 0 | 111 | Q1544 Q1545 Q1546 E1551 D1552 | Q1544-E1548 WeakPolarHBondContact O-CB 2.56Å; Q1544-E1548 PolarHBondContact O-N 2.5Å; Q1545-E1548 PolarHBondContact O-N 3.25Å; Q1546-E1548 VanDerWaalsContact C-N 3.28Å; E1548-E1551 PolarHBondContact O-N 3.28Å; E1548-D1552 WeakPolarHBondContact O-CB 3.3Å; E1548-D1552 PolarHBondContact O-N 3.03Å |
| 1549 | E | 87.8 | Confident | 85.9 | Confident | 94 Ų | 94 | 102.8 Ų | 102.8 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | 0 | 177.1 | -74.8 | 176.4 | -178.3 | 0 | 0 | 110.4 | Q1545 Q1546 I1547 D1552 E1553 | Q1545-E1549 WeakPolarHBondContact O-CB 3.48Å; Q1545-E1549 WeakPolarHBondContact O-CG 3.48Å; Q1545-E1549 PolarHBondContact O-N 3.4Å; Q1546-E1549 CarbonylContact O-C 3.1Å; Q1546-E1549 WeakPolarHBondContact O-CB 3.41Å; Q1546-E1549 PolarHBondContact O-N 2.99Å; I1547-E1549 VanDerWaalsContact C-N 3.3Å; E1549-D1552 PolarHBondContact O-N 3.36Å; E1549-E1553 WeakPolarHBondContact O-CB 3.31Å; E1549-E1553 VanDerWaalsContact O-CG 3.25Å; E1549-E1553 WeakPolarHBondContact O-CG 3.4Å; E1549-E1553 PolarHBondContact O-N 2.96Å |
| 1550 | L | 87.5 | Confident | 86.5 | Confident | 100 Ų | 100 | 102.3 Ų | 102.3 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -74.5 | 173.3 | 0 | 0 | 0 | 110.6 | Q1546 I1547 D1552 E1553 I1554 | Q1546-L1550 WeakPolarHBondContact O-CG 3.23Å; Q1546-L1550 PolarHBondContact O-N 3.41Å; I1547-L1550 PolarHBondContact O-N 3.4Å; L1550-D1552 VanDerWaalsContact C-N 3.27Å; L1550-E1553 CarbonylContact O-C 2.95Å; L1550-E1553 PolarHBondContact O-N 3.38Å; L1550-I1554 WeakPolarHBondContact O-CB 3.46Å; L1550-I1554 VanDerWaalsContact O-CG1 3.28Å; L1550-I1554 WeakPolarHBondContact O-CG1 3.44Å; L1550-I1554 PolarHBondContact O-N 2.97Å | |
| 1551 | E | 87.3 | Confident | 87.1 | Confident | 120 Ų | 120 | 104.2 Ų | 104.2 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -76.4 | 175.7 | 169.2 | 0 | 0 | 111.3 | I1547 E1548 I1554 S1555 | I1547-E1551 HydrophobicContact CG2-CG 4.08Å; I1547-E1551 VanDerWaalsContact O-CB 3.28Å; I1547-E1551 WeakPolarHBondContact O-CB 3.06Å; I1547-E1551 VanDerWaalsContact O-CG 3.24Å; I1547-E1551 WeakPolarHBondContact O-CG 3.1Å; I1547-E1551 PolarHBondContact O-N 3.32Å; E1548-E1551 PolarHBondContact O-N 3.28Å; E1551-I1554 PolarHBondContact O-N 3.5Å; E1551-S1555 WeakPolarHBondContact O-CA 3.45Å; E1551-S1555 WeakPolarHBondContact O-CB 3.18Å; E1551-S1555 PolarHBondContact O-N 3.33Å | |
| 1552 | D | 88.2 | Confident | 87.5 | Confident | 91 Ų | 91 | 103 Ų | 103 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | 0 | -37.2 | 0 | -76.2 | -14 | 0 | 0 | 0 | 110.2 | E1548 E1549 L1550 S1555 T1556 | E1548-D1552 WeakPolarHBondContact O-CB 3.3Å; E1548-D1552 PolarHBondContact O-N 3.03Å; E1549-D1552 PolarHBondContact O-N 3.36Å; L1550-D1552 VanDerWaalsContact C-N 3.27Å; D1552-S1555 PolarHBondContact O-N 2.86Å; D1552-T1556 WeakPolarHBondContact O-CB 3.39Å; D1552-T1556 WeakPolarHBondContact O-CG2 3.21Å; D1552-T1556 PolarHBondContact O-N 3.38Å; D1552-T1556 PolarHBondContact O-OG1 2.85Å | |
| 1553 | E | 88.4 | Confident | 88 | Confident | 119 Ų | 119 | 106.7 Ų | 106.7 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.1 | 0 | 178.9 | -79.6 | 179.4 | -172.8 | 0 | 0 | 110.4 | E1549 L1550 S1555 T1556 F1557 | E1549-E1553 WeakPolarHBondContact O-CB 3.31Å; E1549-E1553 VanDerWaalsContact O-CG 3.25Å; E1549-E1553 WeakPolarHBondContact O-CG 3.4Å; E1549-E1553 PolarHBondContact O-N 2.96Å; L1550-E1553 CarbonylContact O-C 2.95Å; L1550-E1553 PolarHBondContact O-N 3.38Å; E1553-S1555 VanDerWaalsContact C-N 3.33Å; E1553-T1556 WeakPolarHBondContact CA-OG1 3.25Å; E1553-T1556 PolarHBondContact O-N 2.98Å; E1553-T1556 PolarHBondContact O-OG1 3.46Å; E1553-F1557 WeakPolarHBondContact O-CB 3.25Å; E1553-F1557 PolarHBondContact O-N 2.61Å |
| 1554 | I | 89.8 | Confident | 88.3 | Confident | 110 Ų | 110 | 106.2 Ų | 106.2 | 56% | 0.564 | 52% | 0.521 | S | S | * | . | H | α-helix | 0 | -41 | 0 | -73.9 | 175.1 | 0 | 0 | 0 | 109.6 | L1550 E1551 T1556 F1557 T1558 | L1550-I1554 WeakPolarHBondContact O-CB 3.46Å; L1550-I1554 VanDerWaalsContact O-CG1 3.28Å; L1550-I1554 WeakPolarHBondContact O-CG1 3.44Å; L1550-I1554 PolarHBondContact O-N 2.97Å; E1551-I1554 PolarHBondContact O-N 3.5Å; I1554-T1556 VanDerWaalsContact C-N 3.31Å; I1554-F1557 PolarHBondContact O-N 3.2Å; I1554-T1558 HydrophobicContact CG2-CG2 4.04Å; I1554-T1558 WeakPolarHBondContact O-CB 3.46Å; I1554-T1558 WeakPolarHBondContact O-CG2 3.33Å; I1554-T1558 PolarHBondContact O-N 3.44Å; I1554-T1558 PolarHBondContact O-OG1 3.27Å | |
| 1555 | S | 88.4 | Confident | 88.5 | Confident | 53 Ų | 53 | 105.4 Ų | 105.4 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 177.7 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | E1551 D1552 E1553 T1558 M1559 | E1551-S1555 WeakPolarHBondContact O-CA 3.45Å; E1551-S1555 WeakPolarHBondContact O-CB 3.18Å; E1551-S1555 PolarHBondContact O-N 3.33Å; D1552-S1555 PolarHBondContact O-N 2.86Å; E1553-S1555 VanDerWaalsContact C-N 3.33Å; S1555-T1558 VanDerWaalsContact C-OG1 3.25Å; S1555-T1558 WeakPolarHBondContact CA-OG1 3.17Å; S1555-T1558 PolarHBondContact O-OG1 2.89Å; S1555-M1559 WeakPolarHBondContact O-CB 3.29Å; S1555-M1559 VanDerWaalsContact O-CG 3.3Å; S1555-M1559 WeakPolarHBondContact O-CG 3.21Å; S1555-M1559 PolarHBondContact O-N 3.38Å |
| 1556 | T | 89.4 | Confident | 88.7 | Confident | 73 Ų | 73 | 105.1 Ų | 105.1 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 177.3 | 51.3 | 0 | 0 | 0 | 0 | 109.9 | D1552 E1553 I1554 M1559 E1560 | D1552-T1556 WeakPolarHBondContact O-CB 3.39Å; D1552-T1556 WeakPolarHBondContact O-CG2 3.21Å; D1552-T1556 PolarHBondContact O-N 3.38Å; D1552-T1556 PolarHBondContact O-OG1 2.85Å; E1553-T1556 WeakPolarHBondContact CA-OG1 3.25Å; E1553-T1556 PolarHBondContact O-N 2.98Å; E1553-T1556 PolarHBondContact O-OG1 3.46Å; I1554-T1556 VanDerWaalsContact C-N 3.31Å; T1556-M1559 PolarHBondContact O-N 2.8Å; T1556-E1560 WeakPolarHBondContact O-CB 3.06Å; T1556-E1560 VanDerWaalsContact O-CG 3.28Å; T1556-E1560 WeakPolarHBondContact O-CG 3.19Å; T1556-E1560 PolarHBondContact O-N 3.42Å |
| 1557 | F | 90 | Very high | 88.9 | Confident | 136 Ų | 136 | 104.4 Ų | 104.4 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.1 | 0 | 179.6 | -176.9 | -102.7 | 0 | 0 | 0 | 110.6 | E1553 I1554 M1559 E1560 K1561 | E1553-F1557 WeakPolarHBondContact O-CB 3.25Å; E1553-F1557 PolarHBondContact O-N 2.61Å; I1554-F1557 PolarHBondContact O-N 3.2Å; F1557-M1559 VanDerWaalsContact C-N 3.29Å; F1557-M1559 PolarHBondContact O-N 3.32Å; F1557-E1560 PolarHBondContact O-N 2.13Å; F1557-K1561 WeakPolarHBondContact O-CB 3.23Å; F1557-K1561 PolarHBondContact O-N 3.41Å |
| 1558 | T | 91 | Very high | 89.1 | Confident | 60 Ų | 60 | 105.7 Ų | 105.7 | 37% | 0.368 | 53% | 0.525 | S | S | . | . | H | α-helix | 0 | -38.9 | 0 | 46 | 0 | 0 | 0 | 0 | 110.9 | I1554 S1555 E1560 K1561 Q1562 | I1554-T1558 HydrophobicContact CG2-CG2 4.04Å; I1554-T1558 WeakPolarHBondContact O-CB 3.46Å; I1554-T1558 WeakPolarHBondContact O-CG2 3.33Å; I1554-T1558 PolarHBondContact O-N 3.44Å; I1554-T1558 PolarHBondContact O-OG1 3.27Å; S1555-T1558 VanDerWaalsContact C-OG1 3.25Å; S1555-T1558 WeakPolarHBondContact CA-OG1 3.17Å; S1555-T1558 PolarHBondContact O-OG1 2.89Å; T1558-E1560 VanDerWaalsContact C-N 3.29Å; T1558-K1561 PolarHBondContact O-N 2.92Å; T1558-Q1562 WeakPolarHBondContact O-CB 3.5Å; T1558-Q1562 VanDerWaalsContact O-CG 3.32Å; T1558-Q1562 WeakPolarHBondContact O-CG 3.32Å; T1558-Q1562 PolarHBondContact O-N 2.95Å | |
| 1559 | M | 89 | Confident | 89.3 | Confident | 124 Ų | 124 | 104.5 Ų | 104.5 | 61% | 0.611 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.1 | -39.7 | 177.6 | -81.3 | -177.4 | 158.5 | 0 | 0 | 110.4 | S1555 T1556 F1557 Q1562 R1563 | S1555-M1559 WeakPolarHBondContact O-CB 3.29Å; S1555-M1559 VanDerWaalsContact O-CG 3.3Å; S1555-M1559 WeakPolarHBondContact O-CG 3.21Å; S1555-M1559 PolarHBondContact O-N 3.38Å; T1556-M1559 PolarHBondContact O-N 2.8Å; F1557-M1559 VanDerWaalsContact C-N 3.29Å; F1557-M1559 PolarHBondContact O-N 3.32Å; M1559-Q1562 PolarHBondContact O-N 3.13Å; M1559-R1563 VanDerWaalsContact O-CB 3.3Å; M1559-R1563 WeakPolarHBondContact O-CB 3.37Å; M1559-R1563 PolarHBondContact O-N 2.91Å |
| 1560 | E | 90.5 | Very high | 89.3 | Confident | 130 Ų | 130 | 102.6 Ų | 102.6 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.8 | -41.6 | 177.8 | -76.7 | 178.1 | 174.8 | 0 | 0 | 110.5 | T1556 F1557 T1558 R1563 A1564 | T1556-E1560 WeakPolarHBondContact O-CB 3.06Å; T1556-E1560 VanDerWaalsContact O-CG 3.28Å; T1556-E1560 WeakPolarHBondContact O-CG 3.19Å; T1556-E1560 PolarHBondContact O-N 3.42Å; F1557-E1560 PolarHBondContact O-N 2.13Å; T1558-E1560 VanDerWaalsContact C-N 3.29Å; E1560-R1563 PolarHBondContact O-N 3.34Å; E1560-A1564 WeakPolarHBondContact O-CB 3.29Å; E1560-A1564 PolarHBondContact O-N 2.84Å |
| 1561 | K | 91.5 | Very high | 89.4 | Confident | 121 Ų | 121 | 101.4 Ų | 101.4 | 53% | 0.526 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | 0 | 175.5 | -178 | -177.2 | 172.5 | 179.1 | 0 | 111.4 | F1557 T1558 R1563 A1564 E1565 | F1557-K1561 WeakPolarHBondContact O-CB 3.23Å; F1557-K1561 PolarHBondContact O-N 3.41Å; T1558-K1561 PolarHBondContact O-N 2.92Å; K1561-R1563 VanDerWaalsContact C-N 3.26Å; K1561-R1563 PolarHBondContact O-N 3.17Å; K1561-A1564 PolarHBondContact O-N 2.6Å; K1561-E1565 WeakPolarHBondContact CE-OE1 3.23Å; K1561-E1565 WeakPolarHBondContact O-CG 3.14Å; K1561-E1565 PolarHBondContact O-N 3.04Å |
| 1562 | Q | 90.4 | Very high | 89.5 | Confident | 124 Ų | 124 | 102.7 Ų | 102.7 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | 0 | -38.8 | 0 | -75.9 | -179.7 | -11 | 0 | 0 | 111.4 | T1558 M1559 A1564 E1565 V1566 | T1558-Q1562 WeakPolarHBondContact O-CB 3.5Å; T1558-Q1562 VanDerWaalsContact O-CG 3.32Å; T1558-Q1562 WeakPolarHBondContact O-CG 3.32Å; T1558-Q1562 PolarHBondContact O-N 2.95Å; M1559-Q1562 PolarHBondContact O-N 3.13Å; Q1562-A1564 VanDerWaalsContact C-N 3.3Å; Q1562-E1565 PolarHBondContact O-N 3.38Å; Q1562-V1566 WeakPolarHBondContact O-CB 2.8Å; Q1562-V1566 WeakPolarHBondContact O-CG2 3.24Å; Q1562-V1566 PolarHBondContact O-N 3.35Å | |
| 1563 | R | 89.9 | Confident | 89.5 | Confident | 179 Ų | 179 | 101.1 Ų | 101.1 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 177 | -167.4 | 175.6 | 178.7 | -175.3 | -1.3 | 110.5 | M1559 E1560 K1561 E1565 V1566 Q1567 | M1559-R1563 VanDerWaalsContact O-CB 3.3Å; M1559-R1563 WeakPolarHBondContact O-CB 3.37Å; M1559-R1563 PolarHBondContact O-N 2.91Å; E1560-R1563 PolarHBondContact O-N 3.34Å; K1561-R1563 VanDerWaalsContact C-N 3.26Å; K1561-R1563 PolarHBondContact O-N 3.17Å; R1563-E1565 VanDerWaalsContact C-N 3.32Å; R1563-E1565 PolarHBondContact O-N 3.14Å; R1563-V1566 PolarHBondContact O-N 3.36Å; R1563-Q1567 WeakPolarHBondContact O-CB 3.32Å; R1563-Q1567 WeakPolarHBondContact O-CG 3.35Å; R1563-Q1567 PolarHBondContact O-N 3.3Å |
| 1564 | A | 87.5 | Confident | 89.6 | Confident | 55 Ų | 55 | 100.8 Ų | 100.8 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1560 K1561 Q1562 Q1567 M1568 | E1560-A1564 WeakPolarHBondContact O-CB 3.29Å; E1560-A1564 PolarHBondContact O-N 2.84Å; K1561-A1564 PolarHBondContact O-N 2.6Å; Q1562-A1564 VanDerWaalsContact C-N 3.3Å; A1564-Q1567 PolarHBondContact O-N 3.19Å; A1564-M1568 WeakPolarHBondContact O-CB 3.47Å; A1564-M1568 PolarHBondContact O-N 3.49Å |
| 1565 | E | 90.2 | Very high | 89.6 | Confident | 93 Ų | 93 | 99.9 Ų | 99.9 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 179.2 | -78.4 | 178.2 | 172.4 | 0 | 0 | 111.4 | K1561 Q1562 R1563 M1568 N1569 | K1561-E1565 WeakPolarHBondContact CE-OE1 3.23Å; K1561-E1565 WeakPolarHBondContact O-CG 3.14Å; K1561-E1565 PolarHBondContact O-N 3.04Å; Q1562-E1565 PolarHBondContact O-N 3.38Å; R1563-E1565 VanDerWaalsContact C-N 3.32Å; R1563-E1565 PolarHBondContact O-N 3.14Å; E1565-M1568 PolarHBondContact O-N 3.35Å; E1565-N1569 WeakPolarHBondContact O-CB 3.19Å; E1565-N1569 PolarHBondContact O-N 2.58Å |
| 1566 | V | 90.6 | Very high | 89.5 | Confident | 99 Ų | 99 | 102.4 Ų | 102.4 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.3 | -37.8 | 178.7 | 171.5 | 0 | 0 | 0 | 0 | 109.4 | Q1562 R1563 M1568 N1569 A1570 | Q1562-V1566 WeakPolarHBondContact O-CB 2.8Å; Q1562-V1566 WeakPolarHBondContact O-CG2 3.24Å; Q1562-V1566 PolarHBondContact O-N 3.35Å; R1563-V1566 PolarHBondContact O-N 3.36Å; V1566-M1568 VanDerWaalsContact C-N 3.35Å; V1566-N1569 PolarHBondContact O-N 2.98Å; V1566-A1570 VanDerWaalsContact O-CB 3.32Å; V1566-A1570 WeakPolarHBondContact O-CB 3.33Å; V1566-A1570 PolarHBondContact O-N 2.87Å |
| 1567 | Q | 90.6 | Very high | 89.5 | Confident | 108 Ų | 108 | 107.7 Ų | 107.7 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 177.3 | -77.3 | -179.1 | -3.4 | 0 | 0 | 110.3 | R1563 A1564 A1570 V1571 | R1563-Q1567 WeakPolarHBondContact O-CB 3.32Å; R1563-Q1567 WeakPolarHBondContact O-CG 3.35Å; R1563-Q1567 PolarHBondContact O-N 3.3Å; A1564-Q1567 PolarHBondContact O-N 3.19Å; Q1567-A1570 PolarHBondContact O-N 3.45Å; Q1567-V1571 WeakPolarHBondContact O-CG2 3.42Å; Q1567-V1571 PolarHBondContact O-N 3.02Å |
| 1568 | M | 87.2 | Confident | 89.5 | Confident | 120 Ų | 120 | 106 Ų | 106 | 59% | 0.591 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 178.1 | -166.7 | -176.2 | 78.6 | 0 | 0 | 110.9 | A1564 E1565 V1566 A1570 V1571 R1572 | A1564-M1568 WeakPolarHBondContact O-CB 3.47Å; A1564-M1568 PolarHBondContact O-N 3.49Å; E1565-M1568 PolarHBondContact O-N 3.35Å; V1566-M1568 VanDerWaalsContact C-N 3.35Å; M1568-A1570 VanDerWaalsContact C-N 3.3Å; M1568-V1571 PolarHBondContact O-N 3.43Å; M1568-R1572 WeakPolarHBondContact O-CB 3.41Å; M1568-R1572 PolarHBondContact O-N 2.94Å |
| 1569 | N | 89.2 | Confident | 89.3 | Confident | 85 Ų | 85 | 108.1 Ų | 108.1 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.7 | 0 | 178.1 | -80.8 | -17.7 | 0 | 0 | 0 | 111.7 | E1565 V1566 V1571 R1572 T1573 | E1565-N1569 WeakPolarHBondContact O-CB 3.19Å; E1565-N1569 PolarHBondContact O-N 2.58Å; V1566-N1569 PolarHBondContact O-N 2.98Å; N1569-V1571 VanDerWaalsContact C-N 3.26Å; N1569-R1572 PolarHBondContact O-N 2.71Å; N1569-T1573 WeakPolarHBondContact O-CB 3Å; N1569-T1573 PolarHBondContact O-N 2.82Å; N1569-T1573 PolarHBondContact O-OG1 3.42Å |
| 1570 | A | 89.2 | Confident | 89.2 | Confident | 55 Ų | 55 | 104.5 Ų | 104.5 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | 0 | -38.4 | 0 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1566 Q1567 M1568 T1573 Q1574 | V1566-A1570 VanDerWaalsContact O-CB 3.32Å; V1566-A1570 WeakPolarHBondContact O-CB 3.33Å; V1566-A1570 PolarHBondContact O-N 2.87Å; Q1567-A1570 PolarHBondContact O-N 3.45Å; M1568-A1570 VanDerWaalsContact C-N 3.3Å; A1570-T1573 PolarHBondContact O-N 3.28Å; A1570-Q1574 VanDerWaalsContact O-CB 3.27Å; A1570-Q1574 WeakPolarHBondContact O-CB 3.35Å; A1570-Q1574 PolarHBondContact O-N 3.1Å | |
| 1571 | V | 89.3 | Confident | 89.1 | Confident | 75 Ų | 75 | 101.7 Ų | 101.7 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.5 | -40.3 | 179.9 | 171.1 | 0 | 0 | 0 | 0 | 109.2 | Q1567 M1568 N1569 Q1574 L1575 | Q1567-V1571 WeakPolarHBondContact O-CG2 3.42Å; Q1567-V1571 PolarHBondContact O-N 3.02Å; M1568-V1571 PolarHBondContact O-N 3.43Å; N1569-V1571 VanDerWaalsContact C-N 3.26Å; V1571-Q1574 PolarHBondContact O-N 2.95Å; V1571-L1575 HydrophobicContact CG1-CD1 3.98Å; V1571-L1575 HydrophobicContact CG1-CG 4.26Å; V1571-L1575 WeakPolarHBondContact O-CB 3.39Å; V1571-L1575 VanDerWaalsContact O-CG 3.31Å; V1571-L1575 WeakPolarHBondContact O-CG 3.46Å; V1571-L1575 PolarHBondContact O-N 2.78Å |
| 1572 | R | 88.7 | Confident | 89 | Confident | 146 Ų | 146 | 103.7 Ų | 103.7 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.9 | 0 | 177.8 | -167.8 | 176.3 | 175.1 | 173.6 | -0.8 | 111.2 | M1568 N1569 Q1574 L1575 E1576 | M1568-R1572 WeakPolarHBondContact O-CB 3.41Å; M1568-R1572 PolarHBondContact O-N 2.94Å; N1569-R1572 PolarHBondContact O-N 2.71Å; R1572-Q1574 VanDerWaalsContact C-N 3.27Å; R1572-L1575 PolarHBondContact O-N 3.16Å; R1572-L1575 VanDerWaalsContact O-N 3.16Å; R1572-E1576 IonicContact NE-OE1 3.89Å; R1572-E1576 WeakPolarHBondContact O-CG 3.38Å; R1572-E1576 PolarHBondContact O-N 3.39Å |
| 1573 | T | 89.4 | Confident | 88.8 | Confident | 59 Ų | 59 | 102.3 Ų | 102.3 | 36% | 0.362 | 51% | 0.513 | S | S | . | . | H | α-helix | 0 | -39.3 | 0 | -56 | 0 | 0 | 0 | 0 | 110.5 | N1569 A1570 L1575 E1576 R1577 | N1569-T1573 WeakPolarHBondContact O-CB 3Å; N1569-T1573 PolarHBondContact O-N 2.82Å; N1569-T1573 PolarHBondContact O-OG1 3.42Å; A1570-T1573 PolarHBondContact O-N 3.28Å; T1573-L1575 VanDerWaalsContact C-N 3.34Å; T1573-E1576 PolarHBondContact O-N 2.99Å; T1573-R1577 WeakPolarHBondContact O-CB 3.19Å; T1573-R1577 WeakPolarHBondContact O-CG 3.47Å; T1573-R1577 PolarHBondContact O-N 2.91Å | |
| 1574 | Q | 90.9 | Very high | 88.7 | Confident | 111 Ų | 111 | 98.8 Ų | 98.8 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | 0 | 176.9 | -176.8 | 174.4 | 3 | 0 | 0 | 110.4 | A1570 V1571 R1572 R1577 E1578 | A1570-Q1574 VanDerWaalsContact O-CB 3.27Å; A1570-Q1574 WeakPolarHBondContact O-CB 3.35Å; A1570-Q1574 PolarHBondContact O-N 3.1Å; V1571-Q1574 PolarHBondContact O-N 2.95Å; R1572-Q1574 VanDerWaalsContact C-N 3.27Å; Q1574-R1577 PolarHBondContact O-N 3.17Å; Q1574-E1578 VanDerWaalsContact O-CG 3.29Å; Q1574-E1578 WeakPolarHBondContact O-CG 3.45Å; Q1574-E1578 PolarHBondContact O-N 3.02Å |
| 1575 | L | 88.5 | Confident | 88.7 | Confident | 92 Ų | 92 | 99.2 Ų | 99.2 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | 0 | -35.9 | 0 | -78.2 | 172.9 | 0 | 0 | 0 | 110.2 | V1571 R1572 T1573 E1578 L1579 | V1571-L1575 HydrophobicContact CG1-CD1 3.98Å; V1571-L1575 HydrophobicContact CG1-CG 4.26Å; V1571-L1575 WeakPolarHBondContact O-CB 3.39Å; V1571-L1575 VanDerWaalsContact O-CG 3.31Å; V1571-L1575 WeakPolarHBondContact O-CG 3.46Å; V1571-L1575 PolarHBondContact O-N 2.78Å; R1572-L1575 PolarHBondContact O-N 3.16Å; R1572-L1575 VanDerWaalsContact O-N 3.16Å; T1573-L1575 VanDerWaalsContact C-N 3.34Å; L1575-E1578 PolarHBondContact O-N 3.09Å; L1575-L1579 WeakPolarHBondContact O-CB 3.37Å; L1575-L1579 VanDerWaalsContact O-CG 3.29Å; L1575-L1579 WeakPolarHBondContact O-CG 3.45Å; L1575-L1579 PolarHBondContact O-N 3.21Å | |
| 1576 | E | 87.3 | Confident | 88.5 | Confident | 106 Ų | 106 | 98.5 Ų | 98.5 | 50% | 0.495 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 178 | -78.6 | 178 | 176 | 0 | 0 | 110.8 | R1572 T1573 E1578 L1579 A1580 | R1572-E1576 IonicContact NE-OE1 3.89Å; R1572-E1576 WeakPolarHBondContact O-CG 3.38Å; R1572-E1576 PolarHBondContact O-N 3.39Å; T1573-E1576 PolarHBondContact O-N 2.99Å; E1576-E1578 VanDerWaalsContact C-N 3.33Å; E1576-L1579 PolarHBondContact O-N 3.4Å; E1576-A1580 WeakPolarHBondContact O-CB 3.2Å; E1576-A1580 PolarHBondContact O-N 2.76Å |
| 1577 | R | 88.6 | Confident | 88.2 | Confident | 184 Ų | 184 | 98.5 Ų | 98.5 | 69% | 0.694 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.1 | -40.7 | 177.3 | -79.9 | -173.3 | -161.2 | 159.8 | -0.1 | 110.6 | T1573 Q1574 A1580 S1581 | T1573-R1577 WeakPolarHBondContact O-CB 3.19Å; T1573-R1577 WeakPolarHBondContact O-CG 3.47Å; T1573-R1577 PolarHBondContact O-N 2.91Å; Q1574-R1577 PolarHBondContact O-N 3.17Å; R1577-A1580 PolarHBondContact O-N 3.12Å; R1577-S1581 WeakPolarHBondContact O-CB 3.38Å; R1577-S1581 PolarHBondContact O-N 3.5Å; R1577-S1581 PolarHBondContact O-OG 3.5Å |
| 1578 | E | 89.5 | Confident | 87.9 | Confident | 100 Ų | 100 | 98.6 Ų | 98.6 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | 0 | 178.6 | -75.6 | -179.2 | 178.9 | 0 | 0 | 110.4 | Q1574 L1575 E1576 S1581 R1582 | Q1574-E1578 VanDerWaalsContact O-CG 3.29Å; Q1574-E1578 WeakPolarHBondContact O-CG 3.45Å; Q1574-E1578 PolarHBondContact O-N 3.02Å; L1575-E1578 PolarHBondContact O-N 3.09Å; E1576-E1578 VanDerWaalsContact C-N 3.33Å; E1578-S1581 VanDerWaalsContact C-OG 3.25Å; E1578-S1581 WeakPolarHBondContact CA-OG 3.48Å; E1578-S1581 PolarHBondContact O-N 3.21Å; E1578-S1581 PolarHBondContact O-OG 3.42Å; E1578-R1582 WeakPolarHBondContact O-CB 3.22Å; E1578-R1582 PolarHBondContact O-N 3.13Å |
| 1579 | L | 87.3 | Confident | 87.8 | Confident | 104 Ų | 104 | 95.1 Ų | 95.1 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -79.2 | 171.3 | 0 | 0 | 0 | 110.5 | L1575 E1576 R1582 D1583 | L1575-L1579 WeakPolarHBondContact O-CB 3.37Å; L1575-L1579 VanDerWaalsContact O-CG 3.29Å; L1575-L1579 WeakPolarHBondContact O-CG 3.45Å; L1575-L1579 PolarHBondContact O-N 3.21Å; E1576-L1579 PolarHBondContact O-N 3.4Å; L1579-R1582 PolarHBondContact O-N 3.05Å; L1579-D1583 WeakPolarHBondContact O-CB 3.49Å; L1579-D1583 VanDerWaalsContact O-CG 3.31Å; L1579-D1583 PolarHBondContact O-N 2.86Å | |
| 1580 | A | 87.8 | Confident | 87.6 | Confident | 49 Ų | 49 | 99.9 Ų | 99.9 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | 0 | -40.3 | 0 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1576 R1577 R1582 D1583 D1584 | E1576-A1580 WeakPolarHBondContact O-CB 3.2Å; E1576-A1580 PolarHBondContact O-N 2.76Å; R1577-A1580 PolarHBondContact O-N 3.12Å; A1580-R1582 VanDerWaalsContact C-N 3.33Å; A1580-D1583 PolarHBondContact O-N 3.4Å; A1580-D1584 PolarHBondContact O-N 2.82Å | |
| 1581 | S | 87.9 | Confident | 87.3 | Confident | 71 Ų | 71 | 104 Ų | 104 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 177.4 | 70 | 0 | 0 | 0 | 0 | 110.8 | R1577 E1578 D1584 L1585 | R1577-S1581 WeakPolarHBondContact O-CB 3.38Å; R1577-S1581 PolarHBondContact O-N 3.5Å; R1577-S1581 PolarHBondContact O-OG 3.5Å; E1578-S1581 VanDerWaalsContact C-OG 3.25Å; E1578-S1581 WeakPolarHBondContact CA-OG 3.48Å; E1578-S1581 PolarHBondContact O-N 3.21Å; E1578-S1581 PolarHBondContact O-OG 3.42Å; S1581-D1584 PolarHBondContact O-N 3.49Å; S1581-L1585 PolarHBondContact O-N 3.44Å |
| 1582 | R | 89.4 | Confident | 87.1 | Confident | 162 Ų | 162 | 104.9 Ų | 104.9 | 61% | 0.611 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.4 | -41.8 | 178.8 | -168.7 | 173.2 | 151.9 | 102.1 | 0.1 | 110.3 | E1578 L1579 A1580 D1584 L1585 L1586 | E1578-R1582 WeakPolarHBondContact O-CB 3.22Å; E1578-R1582 PolarHBondContact O-N 3.13Å; L1579-R1582 PolarHBondContact O-N 3.05Å; A1580-R1582 VanDerWaalsContact C-N 3.33Å; R1582-D1584 VanDerWaalsContact C-N 3.3Å; R1582-D1584 PolarHBondContact O-N 3.07Å; R1582-L1585 PolarHBondContact O-N 2.78Å; R1582-L1586 HydrophobicContact CG-CD1 4.37Å; R1582-L1586 HydrophobicContact CG-CG 4.46Å; R1582-L1586 WeakPolarHBondContact O-CB 3.47Å; R1582-L1586 WeakPolarHBondContact O-CG 3.44Å; R1582-L1586 PolarHBondContact O-N 3.49Å |
| 1583 | D | 86.7 | Confident | 86.8 | Confident | 96 Ų | 96 | 101.3 Ų | 101.3 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | 0 | 177.3 | -78 | -13.6 | 0 | 0 | 0 | 111.2 | L1579 A1580 L1585 L1586 E1587 | L1579-D1583 WeakPolarHBondContact O-CB 3.49Å; L1579-D1583 VanDerWaalsContact O-CG 3.31Å; L1579-D1583 PolarHBondContact O-N 2.86Å; A1580-D1583 PolarHBondContact O-N 3.4Å; D1583-L1585 VanDerWaalsContact C-N 3.35Å; D1583-L1586 PolarHBondContact O-N 3.49Å; D1583-E1587 WeakPolarHBondContact O-CB 3.14Å; D1583-E1587 PolarHBondContact O-N 2.94Å |
| 1584 | D | 86 | Confident | 86.4 | Confident | 105 Ų | 105 | 102.1 Ų | 102.1 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | 0 | -37.5 | 0 | -75.1 | -13.7 | 0 | 0 | 0 | 110.9 | A1580 S1581 R1582 E1587 E1588 | A1580-D1584 PolarHBondContact O-N 2.82Å; S1581-D1584 PolarHBondContact O-N 3.49Å; R1582-D1584 VanDerWaalsContact C-N 3.3Å; R1582-D1584 PolarHBondContact O-N 3.07Å; D1584-E1587 PolarHBondContact O-N 3.17Å; D1584-E1588 WeakPolarHBondContact O-CB 3.36Å; D1584-E1588 PolarHBondContact O-N 3.25Å | |
| 1585 | L | 88.6 | Confident | 86 | Confident | 63 Ų | 63 | 103.4 Ų | 103.4 | 33% | 0.33 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.8 | 0 | 178.4 | -179.2 | 67.1 | 0 | 0 | 0 | 110.3 | S1581 R1582 D1583 E1587 E1588 Q1589 | S1581-L1585 PolarHBondContact O-N 3.44Å; R1582-L1585 PolarHBondContact O-N 2.78Å; D1583-L1585 VanDerWaalsContact C-N 3.35Å; L1585-E1587 VanDerWaalsContact C-N 3.34Å; L1585-E1588 PolarHBondContact O-N 3.04Å; L1585-Q1589 HydrophobicContact CG-CG 4.45Å; L1585-Q1589 WeakPolarHBondContact O-CB 3.13Å; L1585-Q1589 VanDerWaalsContact O-CG 3.31Å; L1585-Q1589 WeakPolarHBondContact O-CG 3.22Å; L1585-Q1589 PolarHBondContact O-N 3.47Å |
| 1586 | L | 86.8 | Confident | 85.8 | Confident | 78 Ų | 78 | 102.9 Ų | 102.9 | 41% | 0.408 | 49% | 0.485 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -76.3 | 176.1 | 0 | 0 | 0 | 110.4 | R1582 D1583 Q1589 R1590 | R1582-L1586 HydrophobicContact CG-CD1 4.37Å; R1582-L1586 HydrophobicContact CG-CG 4.46Å; R1582-L1586 WeakPolarHBondContact O-CB 3.47Å; R1582-L1586 WeakPolarHBondContact O-CG 3.44Å; R1582-L1586 PolarHBondContact O-N 3.49Å; D1583-L1586 PolarHBondContact O-N 3.49Å; L1586-Q1589 PolarHBondContact O-N 3.31Å; L1586-R1590 VanDerWaalsContact O-CB 3.23Å; L1586-R1590 WeakPolarHBondContact O-CB 3.41Å; L1586-R1590 PolarHBondContact O-N 3.49Å | |
| 1587 | E | 83.2 | Confident | 85.5 | Confident | 100 Ų | 100 | 101.7 Ų | 101.7 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | 0 | -39.2 | 0 | -161.9 | 166.1 | -176.1 | 0 | 0 | 111.3 | D1583 D1584 L1585 R1590 R1591 | D1583-E1587 WeakPolarHBondContact O-CB 3.14Å; D1583-E1587 PolarHBondContact O-N 2.94Å; D1584-E1587 PolarHBondContact O-N 3.17Å; L1585-E1587 VanDerWaalsContact C-N 3.34Å; E1587-R1590 PolarHBondContact O-N 3.33Å; E1587-R1591 WeakPolarHBondContact O-CG 3.5Å; E1587-R1591 PolarHBondContact O-N 3.24Å; E1587-R1591 IonicContact OE1-NH2 3.37Å | |
| 1588 | E | 84.3 | Confident | 85.1 | Confident | 109 Ų | 109 | 100.7 Ų | 100.7 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.9 | 0 | 176.1 | -170.9 | 169.1 | -174.3 | 0 | 0 | 110.6 | D1584 L1585 R1590 R1591 Q1592 | D1584-E1588 WeakPolarHBondContact O-CB 3.36Å; D1584-E1588 PolarHBondContact O-N 3.25Å; L1585-E1588 PolarHBondContact O-N 3.04Å; E1588-R1590 VanDerWaalsContact C-N 3.32Å; E1588-R1591 PolarHBondContact O-N 3.14Å; E1588-Q1592 WeakPolarHBondContact O-CB 3.1Å; E1588-Q1592 VanDerWaalsContact O-CG 3.3Å; E1588-Q1592 WeakPolarHBondContact O-CG 3.32Å; E1588-Q1592 PolarHBondContact O-N 2.7Å |
| 1589 | Q | 86.3 | Confident | 84.6 | Confident | 48 Ų | 48 | 100.3 Ų | 100.3 | 22% | 0.224 | 48% | 0.476 | C | S | . | . | H | α-helix | 0 | -39 | 0 | -77.5 | -177.9 | -9.7 | 0 | 0 | 110.2 | L1585 L1586 Q1592 S1593 R1894 | L1585-Q1589 HydrophobicContact CG-CG 4.45Å; L1585-Q1589 WeakPolarHBondContact O-CB 3.13Å; L1585-Q1589 VanDerWaalsContact O-CG 3.31Å; L1585-Q1589 WeakPolarHBondContact O-CG 3.22Å; L1585-Q1589 PolarHBondContact O-N 3.47Å; L1586-Q1589 PolarHBondContact O-N 3.31Å; Q1589-Q1592 PolarHBondContact O-N 3.04Å; Q1589-S1593 WeakPolarHBondContact O-CB 3.48Å; Q1589-S1593 PolarHBondContact O-N 3.47Å; Q1589-S1593 PolarHBondContact O-OG 3.11Å; Q1589-R1894 CovalentContact NE2-NH2 1.59Å | |
| 1590 | R | 84.9 | Confident | 84.4 | Confident | 184 Ų | 184 | 97.4 Ų | 97.4 | 69% | 0.694 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.5 | -43.9 | 177.3 | -173.5 | -179.5 | 172.5 | 178.6 | -1.5 | 110.7 | L1586 E1587 E1588 S1593 L1594 | L1586-R1590 VanDerWaalsContact O-CB 3.23Å; L1586-R1590 WeakPolarHBondContact O-CB 3.41Å; L1586-R1590 PolarHBondContact O-N 3.49Å; E1587-R1590 PolarHBondContact O-N 3.33Å; E1588-R1590 VanDerWaalsContact C-N 3.32Å; R1590-S1593 PolarHBondContact O-N 3.31Å; R1590-L1594 HydrophobicContact CG-CD1 4.18Å; R1590-L1594 WeakPolarHBondContact O-CB 3.21Å; R1590-L1594 WeakPolarHBondContact O-CG 3.18Å; R1590-L1594 PolarHBondContact O-N 3.15Å |
| 1591 | R | 82.3 | Confident | 84 | Confident | 142 Ų | 142 | 100 Ų | 100 | 54% | 0.536 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.5 | 0 | 178.4 | -76.9 | -177.2 | -174 | -179.4 | -0.7 | 111.1 | E1587 E1588 L1594 K1595 | E1587-R1591 WeakPolarHBondContact O-CG 3.5Å; E1587-R1591 PolarHBondContact O-N 3.24Å; E1587-R1591 IonicContact OE1-NH2 3.37Å; E1588-R1591 PolarHBondContact O-N 3.14Å; R1591-L1594 PolarHBondContact O-N 3.11Å; R1591-K1595 WeakPolarHBondContact O-CB 2.89Å; R1591-K1595 PolarHBondContact O-N 3.33Å |
| 1592 | Q | 84.3 | Confident | 83.5 | Confident | 94 Ų | 94 | 99.9 Ų | 99.9 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -76.7 | 178.9 | 1.3 | 0 | 0 | 110.3 | E1588 Q1589 K1595 R1596 E1890 | E1588-Q1592 WeakPolarHBondContact O-CB 3.1Å; E1588-Q1592 VanDerWaalsContact O-CG 3.3Å; E1588-Q1592 WeakPolarHBondContact O-CG 3.32Å; E1588-Q1592 PolarHBondContact O-N 2.7Å; Q1589-Q1592 PolarHBondContact O-N 3.04Å; Q1592-K1595 PolarHBondContact O-N 3.28Å; Q1592-R1596 WeakPolarHBondContact O-CB 2.96Å; Q1592-R1596 PolarHBondContact O-N 3.26Å; Q1592-E1890 PolarHBondContact OE1-OE1 2.85Å | |
| 1593 | S | 81.9 | Confident | 83.2 | Confident | 70 Ų | 70 | 97.3 Ų | 97.3 | 49% | 0.49 | 46% | 0.456 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -65.9 | 0 | 0 | 0 | 0 | 110.6 | Q1589 R1590 R1596 I1597 | Q1589-S1593 WeakPolarHBondContact O-CB 3.48Å; Q1589-S1593 PolarHBondContact O-N 3.47Å; Q1589-S1593 PolarHBondContact O-OG 3.11Å; R1590-S1593 PolarHBondContact O-N 3.31Å; S1593-R1596 PolarHBondContact O-N 3.05Å; S1593-I1597 WeakPolarHBondContact O-CB 3.21Å; S1593-I1597 WeakPolarHBondContact O-CG1 3.39Å; S1593-I1597 PolarHBondContact O-N 3.47Å | |
| 1594 | L | 82.1 | Confident | 82.8 | Confident | 77 Ų | 77 | 97 Ų | 97 | 40% | 0.403 | 45% | 0.453 | S | S | . | . | H | α-helix | 0 | -39.8 | 0 | -76.9 | 171.8 | 0 | 0 | 0 | 111.1 | R1590 R1591 I1597 R1598 | R1590-L1594 HydrophobicContact CG-CD1 4.18Å; R1590-L1594 WeakPolarHBondContact O-CB 3.21Å; R1590-L1594 WeakPolarHBondContact O-CG 3.18Å; R1590-L1594 PolarHBondContact O-N 3.15Å; R1591-L1594 PolarHBondContact O-N 3.11Å; L1594-I1597 PolarHBondContact O-N 3.44Å; L1594-R1598 WeakPolarHBondContact O-CB 3.43Å; L1594-R1598 WeakPolarHBondContact O-CG 3.41Å; L1594-R1598 PolarHBondContact O-N 3.12Å | |
| 1595 | K | 83.2 | Confident | 82.4 | Confident | 137 Ų | 137 | 97 Ų | 97 | 60% | 0.596 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.2 | 0 | 175.8 | -172 | 178.2 | 175.9 | -179.5 | 0 | 110.9 | R1591 Q1592 R1598 E1599 | R1591-K1595 WeakPolarHBondContact O-CB 2.89Å; R1591-K1595 PolarHBondContact O-N 3.33Å; Q1592-K1595 PolarHBondContact O-N 3.28Å; K1595-R1598 PolarHBondContact O-N 2.94Å; K1595-E1599 WeakPolarHBondContact CE-OE1 3.36Å; K1595-E1599 VanDerWaalsContact O-CG 3.29Å; K1595-E1599 WeakPolarHBondContact O-CG 3.37Å; K1595-E1599 PolarHBondContact O-N 3.34Å |
| 1596 | R | 83.7 | Confident | 81.9 | Confident | 82 Ų | 82 | 99 Ų | 99 | 31% | 0.309 | 46% | 0.458 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -171.4 | 165.5 | -176.1 | 172.1 | 0.1 | 110.4 | Q1592 S1593 E1599 L1600 R1883 | Q1592-R1596 WeakPolarHBondContact O-CB 2.96Å; Q1592-R1596 PolarHBondContact O-N 3.26Å; S1593-R1596 PolarHBondContact O-N 3.05Å; R1596-E1599 PolarHBondContact O-N 3.15Å; R1596-L1600 HydrophobicContact CG-CD1 4.24Å; R1596-L1600 WeakPolarHBondContact O-CB 3.5Å; R1596-L1600 WeakPolarHBondContact O-CG 3.08Å; R1596-L1600 PolarHBondContact O-N 3.23Å; R1596-R1883 VanDerWaalsContact CZ-CG 3.42Å; R1596-R1883 VanDerWaalsContact NH2-CG 3.27Å | |
| 1597 | I | 80.9 | Confident | 81.4 | Confident | 80 Ų | 80 | 99.7 Ų | 99.7 | 41% | 0.41 | 46% | 0.459 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -73.2 | 174.6 | 0 | 0 | 0 | 109.5 | S1593 L1594 L1600 E1601 | S1593-I1597 WeakPolarHBondContact O-CB 3.21Å; S1593-I1597 WeakPolarHBondContact O-CG1 3.39Å; S1593-I1597 PolarHBondContact O-N 3.47Å; L1594-I1597 PolarHBondContact O-N 3.44Å; I1597-L1600 PolarHBondContact O-N 3.46Å; I1597-E1601 HydrophobicContact CG2-CG 4.1Å; I1597-E1601 WeakPolarHBondContact O-CB 3.19Å; I1597-E1601 WeakPolarHBondContact O-CG 2.67Å; I1597-E1601 PolarHBondContact O-N 3.35Å | |
| 1598 | R | 79.2 | Confident | 81.1 | Confident | 163 Ų | 163 | 100.7 Ų | 100.7 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -79.5 | -175.9 | -173.4 | 165.2 | -0.2 | 111.2 | L1594 K1595 E1601 T1602 | L1594-R1598 WeakPolarHBondContact O-CB 3.43Å; L1594-R1598 WeakPolarHBondContact O-CG 3.41Å; L1594-R1598 PolarHBondContact O-N 3.12Å; K1595-R1598 PolarHBondContact O-N 2.94Å; R1598-E1601 PolarHBondContact O-N 3.37Å; R1598-T1602 WeakPolarHBondContact O-CB 3.5Å; R1598-T1602 WeakPolarHBondContact O-CG2 3.38Å; R1598-T1602 PolarHBondContact O-N 3.43Å; R1598-T1602 PolarHBondContact O-OG1 2.84Å; R1598-T1602 VanDerWaalsContact O-OG1 3.09Å | |
| 1599 | E | 80.6 | Confident | 80.7 | Confident | 93 Ų | 93 | 103.9 Ų | 103.9 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -75 | 174.6 | -179.9 | 0 | 0 | 110.5 | K1595 R1596 T1602 E1603 | K1595-E1599 WeakPolarHBondContact CE-OE1 3.36Å; K1595-E1599 VanDerWaalsContact O-CG 3.29Å; K1595-E1599 WeakPolarHBondContact O-CG 3.37Å; K1595-E1599 PolarHBondContact O-N 3.34Å; R1596-E1599 PolarHBondContact O-N 3.15Å; E1599-T1602 VanDerWaalsContact CA-OG1 3.23Å; E1599-T1602 WeakPolarHBondContact CA-OG1 3.26Å; E1599-T1602 PolarHBondContact O-N 3.21Å; E1599-T1602 PolarHBondContact O-OG1 3.26Å; E1599-E1603 WeakPolarHBondContact O-CB 3.39Å; E1599-E1603 VanDerWaalsContact O-CG 3.25Å; E1599-E1603 WeakPolarHBondContact O-CG 3.38Å; E1599-E1603 PolarHBondContact O-N 3.32Å | |
| 1600 | L | 81.9 | Confident | 80.2 | Confident | 43 Ų | 43 | 107.2 Ų | 107.2 | 23% | 0.225 | 49% | 0.487 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -74.5 | 173.9 | 0 | 0 | 0 | 110.3 | R1596 I1597 E1603 L1604 | R1596-L1600 HydrophobicContact CG-CD1 4.24Å; R1596-L1600 WeakPolarHBondContact O-CB 3.5Å; R1596-L1600 WeakPolarHBondContact O-CG 3.08Å; R1596-L1600 PolarHBondContact O-N 3.23Å; I1597-L1600 PolarHBondContact O-N 3.46Å; L1600-E1603 PolarHBondContact O-N 2.89Å; L1600-L1604 VanDerWaalsContact O-CB 3.26Å; L1600-L1604 WeakPolarHBondContact O-CB 3.1Å; L1600-L1604 PolarHBondContact O-N 3.42Å | |
| 1601 | E | 79.2 | Confident | 79.8 | Confident | 103 Ų | 103 | 104.5 Ų | 104.5 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -76.3 | 178.1 | 163.8 | 0 | 0 | 111.3 | I1597 R1598 L1604 E1605 | I1597-E1601 HydrophobicContact CG2-CG 4.1Å; I1597-E1601 WeakPolarHBondContact O-CB 3.19Å; I1597-E1601 WeakPolarHBondContact O-CG 2.67Å; I1597-E1601 PolarHBondContact O-N 3.35Å; R1598-E1601 PolarHBondContact O-N 3.37Å; E1601-L1604 PolarHBondContact O-N 3.26Å; E1601-E1605 WeakPolarHBondContact O-CB 3.17Å; E1601-E1605 VanDerWaalsContact O-CG 3.23Å; E1601-E1605 WeakPolarHBondContact O-CG 3.16Å; E1601-E1605 PolarHBondContact O-N 3.38Å | |
| 1602 | T | 78.8 | Confident | 79.4 | Confident | 68 Ų | 68 | 100 Ų | 100 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 51.8 | 0 | 0 | 0 | 0 | 110.7 | R1598 E1599 E1605 E1606 | R1598-T1602 WeakPolarHBondContact O-CB 3.5Å; R1598-T1602 WeakPolarHBondContact O-CG2 3.38Å; R1598-T1602 PolarHBondContact O-N 3.43Å; R1598-T1602 PolarHBondContact O-OG1 2.84Å; R1598-T1602 VanDerWaalsContact O-OG1 3.09Å; E1599-T1602 VanDerWaalsContact CA-OG1 3.23Å; E1599-T1602 WeakPolarHBondContact CA-OG1 3.26Å; E1599-T1602 PolarHBondContact O-N 3.21Å; E1599-T1602 PolarHBondContact O-OG1 3.26Å; T1602-E1605 PolarHBondContact O-N 3.12Å; T1602-E1606 WeakPolarHBondContact O-CB 3.38Å; T1602-E1606 VanDerWaalsContact O-CG 3.24Å; T1602-E1606 WeakPolarHBondContact O-CG 3.22Å; T1602-E1606 PolarHBondContact O-N 2.87Å | |
| 1603 | E | 82.8 | Confident | 79 | Confident | 108 Ų | 108 | 98.7 Ų | 98.7 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -74.9 | 178.6 | -174.8 | 0 | 0 | 110.4 | E1599 L1600 E1606 E1607 | E1599-E1603 WeakPolarHBondContact O-CB 3.39Å; E1599-E1603 VanDerWaalsContact O-CG 3.25Å; E1599-E1603 WeakPolarHBondContact O-CG 3.38Å; E1599-E1603 PolarHBondContact O-N 3.32Å; L1600-E1603 PolarHBondContact O-N 2.89Å; E1603-E1606 PolarHBondContact O-N 2.86Å; E1603-E1607 VanDerWaalsContact O-CB 3.3Å; E1603-E1607 WeakPolarHBondContact O-CB 3.41Å; E1603-E1607 PolarHBondContact O-N 2.51Å | |
| 1604 | L | 78.8 | Confident | 78.6 | Confident | 89 Ų | 89 | 101.7 Ų | 101.7 | 47% | 0.466 | 48% | 0.477 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 179.6 | 65.8 | 0 | 0 | 0 | 110.4 | L1600 E1601 E1607 Q1608 | L1600-L1604 VanDerWaalsContact O-CB 3.26Å; L1600-L1604 WeakPolarHBondContact O-CB 3.1Å; L1600-L1604 PolarHBondContact O-N 3.42Å; E1601-L1604 PolarHBondContact O-N 3.26Å; L1604-E1607 PolarHBondContact O-N 3.23Å; L1604-Q1608 HydrophobicContact CD1-CG 4.37Å; L1604-Q1608 HydrophobicContact CG-CG 4.43Å; L1604-Q1608 WeakPolarHBondContact O-CB 3.12Å; L1604-Q1608 WeakPolarHBondContact O-CG 3.36Å; L1604-Q1608 PolarHBondContact O-N 3.02Å | |
| 1605 | E | 77 | Confident | 78.2 | Confident | 106 Ų | 106 | 100.6 Ų | 100.6 | 50% | 0.495 | 47% | 0.471 | S | S | . | . | H | α-helix | 0 | -40.2 | 0 | -77.2 | 178.2 | -178.4 | 0 | 0 | 111 | E1601 T1602 Q1608 R1609 | E1601-E1605 WeakPolarHBondContact O-CB 3.17Å; E1601-E1605 VanDerWaalsContact O-CG 3.23Å; E1601-E1605 WeakPolarHBondContact O-CG 3.16Å; E1601-E1605 PolarHBondContact O-N 3.38Å; T1602-E1605 PolarHBondContact O-N 3.12Å; E1605-Q1608 PolarHBondContact O-N 2.67Å; E1605-R1609 VanDerWaalsContact O-CB 3.26Å; E1605-R1609 WeakPolarHBondContact O-CB 3.46Å; E1605-R1609 PolarHBondContact O-N 3.13Å | |
| 1606 | E | 77 | Confident | 77.7 | Confident | 104 Ų | 104 | 99 Ų | 99 | 49% | 0.486 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.8 | 0 | 178.5 | -78.4 | 179.4 | 179.3 | 0 | 0 | 110.7 | T1602 E1603 E1610 | T1602-E1606 WeakPolarHBondContact O-CB 3.38Å; T1602-E1606 VanDerWaalsContact O-CG 3.24Å; T1602-E1606 WeakPolarHBondContact O-CG 3.22Å; T1602-E1606 PolarHBondContact O-N 2.87Å; E1603-E1606 PolarHBondContact O-N 2.86Å; E1606-E1610 VanDerWaalsContact O-CB 3.31Å; E1606-E1610 WeakPolarHBondContact O-CB 3.19Å; E1606-E1610 WeakPolarHBondContact O-CG 3.12Å; E1606-E1610 PolarHBondContact O-N 3.41Å |
| 1607 | E | 76.6 | Confident | 77.2 | Confident | 93 Ų | 93 | 99.2 Ų | 99.2 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -170.4 | -178.1 | 166.7 | 0 | 0 | 110.5 | E1603 L1604 E1610 R1611 | E1603-E1607 VanDerWaalsContact O-CB 3.3Å; E1603-E1607 WeakPolarHBondContact O-CB 3.41Å; E1603-E1607 PolarHBondContact O-N 2.51Å; L1604-E1607 PolarHBondContact O-N 3.23Å; E1607-E1610 PolarHBondContact O-N 3.11Å; E1607-R1611 WeakPolarHBondContact O-CB 3.48Å; E1607-R1611 PolarHBondContact O-N 3.32Å | |
| 1608 | Q | 76.6 | Confident | 76.9 | Confident | 121 Ų | 121 | 102.3 Ų | 102.3 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -79.3 | -177.8 | -20 | 0 | 0 | 110.8 | L1604 E1605 A1612 | L1604-Q1608 HydrophobicContact CD1-CG 4.37Å; L1604-Q1608 HydrophobicContact CG-CG 4.43Å; L1604-Q1608 WeakPolarHBondContact O-CB 3.12Å; L1604-Q1608 WeakPolarHBondContact O-CG 3.36Å; L1604-Q1608 PolarHBondContact O-N 3.02Å; E1605-Q1608 PolarHBondContact O-N 2.67Å; Q1608-A1612 WeakPolarHBondContact O-CB 3.26Å; Q1608-A1612 PolarHBondContact O-N 2.95Å | |
| 1609 | R | 76.3 | Confident | 76.7 | Confident | 177 Ų | 177 | 99.8 Ų | 99.8 | 67% | 0.668 | 48% | 0.479 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -161.4 | -175.9 | -74 | 152 | -0.3 | 111.1 | E1605 S1613 | E1605-R1609 VanDerWaalsContact O-CB 3.26Å; E1605-R1609 WeakPolarHBondContact O-CB 3.46Å; E1605-R1609 PolarHBondContact O-N 3.13Å; R1609-S1613 VanDerWaalsContact O-CB 3.25Å; R1609-S1613 WeakPolarHBondContact O-CB 3.32Å; R1609-S1613 PolarHBondContact O-N 3.35Å | |
| 1610 | E | 76.4 | Confident | 76.3 | Confident | 118 Ų | 118 | 100.8 Ų | 100.8 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -77.2 | -177.9 | 175.6 | 0 | 0 | 110.5 | E1606 E1607 H1614 | E1606-E1610 VanDerWaalsContact O-CB 3.31Å; E1606-E1610 WeakPolarHBondContact O-CB 3.19Å; E1606-E1610 WeakPolarHBondContact O-CG 3.12Å; E1606-E1610 PolarHBondContact O-N 3.41Å; E1607-E1610 PolarHBondContact O-N 3.11Å; E1610-H1614 VanDerWaalsContact O-CB 3.29Å; E1610-H1614 WeakPolarHBondContact O-CB 3.04Å; E1610-H1614 PolarHBondContact O-CD2 3.12Å; E1610-H1614 PolarHBondContact O-N 3.38Å | |
| 1611 | R | 75.7 | Confident | 76 | Confident | 127 Ų | 127 | 103.9 Ų | 103.9 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -169.5 | 173.6 | 178 | 172.6 | 1 | 110.2 | E1607 H1614 L1615 | E1607-R1611 WeakPolarHBondContact O-CB 3.48Å; E1607-R1611 PolarHBondContact O-N 3.32Å; R1611-H1614 PolarHBondContact O-N 3.45Å; R1611-L1615 WeakPolarHBondContact O-CB 2.53Å; R1611-L1615 PolarHBondContact O-N 2.69Å | |
| 1612 | A | 75.5 | Confident | 75.9 | Confident | 48 Ų | 48 | 104.2 Ų | 104.2 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1608 N1616 | Q1608-A1612 WeakPolarHBondContact O-CB 3.26Å; Q1608-A1612 PolarHBondContact O-N 2.95Å; A1612-N1616 WeakPolarHBondContact O-CB 2.85Å; A1612-N1616 PolarHBondContact O-N 2.73Å; A1612-N1616 PolarHBondContact O-ND2 2.7Å | |
| 1613 | S | 74.6 | Confident | 75.8 | Confident | 65 Ų | 65 | 104.5 Ų | 104.5 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 123 | 0 | 0 | 0 | 0 | 111.4 | R1609 V1617 | R1609-S1613 VanDerWaalsContact O-CB 3.25Å; R1609-S1613 WeakPolarHBondContact O-CB 3.32Å; R1609-S1613 PolarHBondContact O-N 3.35Å; S1613-V1617 WeakPolarHBondContact O-CB 3.22Å; S1613-V1617 WeakPolarHBondContact O-CG2 3.46Å; S1613-V1617 PolarHBondContact O-N 3.22Å | |
| 1614 | H | 73.9 | Confident | 75.5 | Confident | 134 Ų | 134 | 102.6 Ų | 102.6 | 62% | 0.62 | 50% | 0.495 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -82.5 | -64 | 0 | 0 | 0 | 110.4 | E1610 R1611 R1618 | E1610-H1614 VanDerWaalsContact O-CB 3.29Å; E1610-H1614 WeakPolarHBondContact O-CB 3.04Å; E1610-H1614 PolarHBondContact O-CD2 3.12Å; E1610-H1614 PolarHBondContact O-N 3.38Å; R1611-H1614 PolarHBondContact O-N 3.45Å; H1614-R1618 WeakPolarHBondContact O-CB 2.57Å; H1614-R1618 PolarHBondContact O-N 3.38Å | |
| 1615 | L | 73.4 | Confident | 75.4 | Confident | 53 Ų | 53 | 104 Ų | 104 | 28% | 0.277 | 50% | 0.502 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -151.4 | 124.7 | 0 | 0 | 0 | 110.2 | R1611 K1619 | R1611-L1615 WeakPolarHBondContact O-CB 2.53Å; R1611-L1615 PolarHBondContact O-N 2.69Å; L1615-K1619 HydrophobicContact CD2-CD 3.35Å; L1615-K1619 HydrophobicContact CD2-CG 4.11Å; L1615-K1619 VanDerWaalsContact CD2-NZ 3.32Å; L1615-K1619 HydrophobicContact CG-CD 4.1Å; L1615-K1619 HydrophobicContact CG-CG 4.35Å; L1615-K1619 WeakPolarHBondContact O-CB 2.99Å; L1615-K1619 WeakPolarHBondContact O-CG 3.04Å; L1615-K1619 PolarHBondContact O-N 3.4Å | |
| 1616 | N | 73.3 | Confident | 75.6 | Confident | 105 Ų | 105 | 101.6 Ų | 101.6 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | 0 | -38.9 | 0 | -80.6 | -15.1 | 0 | 0 | 0 | 111.6 | A1612 K1620 | A1612-N1616 WeakPolarHBondContact O-CB 2.85Å; A1612-N1616 PolarHBondContact O-N 2.73Å; A1612-N1616 PolarHBondContact O-ND2 2.7Å; N1616-K1620 WeakPolarHBondContact O-CB 3.24Å; N1616-K1620 PolarHBondContact O-N 3Å; N1616-K1620 VanDerWaalsContact O-N 3.07Å | |
| 1617 | V | 73.3 | Confident | 75.6 | Confident | 85 Ų | 85 | 99 Ų | 99 | 52% | 0.515 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75.4 | -39.3 | -178.1 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | S1613 L1621 | S1613-V1617 WeakPolarHBondContact O-CB 3.22Å; S1613-V1617 WeakPolarHBondContact O-CG2 3.46Å; S1613-V1617 PolarHBondContact O-N 3.22Å; V1617-L1621 HydrophobicContact CG1-CD1 3.51Å; V1617-L1621 HydrophobicContact CG1-CG 4.15Å; V1617-L1621 WeakPolarHBondContact O-CB 3.3Å; V1617-L1621 WeakPolarHBondContact O-CG 3.25Å; V1617-L1621 PolarHBondContact O-N 2.85Å |
| 1618 | R | 74.1 | Confident | 75.6 | Confident | 146 Ų | 146 | 100.1 Ų | 100.1 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.5 | 0 | -177.2 | -173.6 | -179.4 | 80.9 | 154.3 | -0.4 | 110.2 | H1614 K1620 L1621 E1622 | H1614-R1618 WeakPolarHBondContact O-CB 2.57Å; H1614-R1618 PolarHBondContact O-N 3.38Å; R1618-K1620 PolarHBondContact O-N 2.64Å; R1618-L1621 PolarHBondContact O-N 3.17Å; R1618-E1622 HydrophobicContact CG-CG 4.19Å; R1618-E1622 WeakPolarHBondContact CG-OE1 2.97Å; R1618-E1622 WeakPolarHBondContact O-CB 2.69Å; R1618-E1622 WeakPolarHBondContact O-CG 3.08Å; R1618-E1622 PolarHBondContact O-N 3.24Å |
| 1619 | K | 74.5 | Confident | 75.8 | Confident | 110 Ų | 110 | 96.6 Ų | 96.6 | 48% | 0.478 | 49% | 0.486 | S | S | . | . | H | α-helix | 0 | -33.6 | 0 | -82.6 | -170.5 | -178.9 | 179.7 | 0 | 111 | L1615 T1623 | L1615-K1619 HydrophobicContact CD2-CD 3.35Å; L1615-K1619 HydrophobicContact CD2-CG 4.11Å; L1615-K1619 VanDerWaalsContact CD2-NZ 3.32Å; L1615-K1619 HydrophobicContact CG-CD 4.1Å; L1615-K1619 HydrophobicContact CG-CG 4.35Å; L1615-K1619 WeakPolarHBondContact O-CB 2.99Å; L1615-K1619 WeakPolarHBondContact O-CG 3.04Å; L1615-K1619 PolarHBondContact O-N 3.4Å; K1619-T1623 VanDerWaalsContact C-OG1 3.26Å; K1619-T1623 WeakPolarHBondContact O-CB 3.23Å; K1619-T1623 PolarHBondContact O-N 2.92Å; K1619-T1623 PolarHBondContact O-OG1 2.94Å | |
| 1620 | K | 72.4 | Confident | 76 | Confident | 113 Ų | 113 | 94.1 Ų | 94.1 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.7 | -46.6 | -178.6 | -171.5 | 177.9 | 176.4 | -179.9 | 0 | 111.1 | N1616 R1618 E1622 T1623 D1624 | N1616-K1620 WeakPolarHBondContact O-CB 3.24Å; N1616-K1620 PolarHBondContact O-N 3Å; N1616-K1620 VanDerWaalsContact O-N 3.07Å; R1618-K1620 PolarHBondContact O-N 2.64Å; K1620-E1622 VanDerWaalsContact C-N 3.27Å; K1620-E1622 PolarHBondContact O-N 3.06Å; K1620-T1623 PolarHBondContact O-N 2.76Å; K1620-D1624 VanDerWaalsContact O-CB 3.27Å; K1620-D1624 WeakPolarHBondContact O-CB 3.36Å; K1620-D1624 PolarHBondContact O-N 3.47Å |
| 1621 | L | 75.8 | Confident | 76.1 | Confident | 109 Ų | 109 | 95.5 Ų | 95.5 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68 | 0 | -177.8 | -73.9 | 176.4 | 0 | 0 | 0 | 110.6 | V1617 R1618 L1625 | V1617-L1621 HydrophobicContact CG1-CD1 3.51Å; V1617-L1621 HydrophobicContact CG1-CG 4.15Å; V1617-L1621 WeakPolarHBondContact O-CB 3.3Å; V1617-L1621 WeakPolarHBondContact O-CG 3.25Å; V1617-L1621 PolarHBondContact O-N 2.85Å; R1618-L1621 PolarHBondContact O-N 3.17Å; L1621-L1625 WeakPolarHBondContact O-CB 3.41Å; L1621-L1625 PolarHBondContact O-N 2.79Å |
| 1622 | E | 77.2 | Confident | 76.4 | Confident | 109 Ų | 109 | 94.3 Ų | 94.3 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -79.5 | 178.2 | 175 | 0 | 0 | 110.2 | R1618 K1620 L1625 A1626 | R1618-E1622 HydrophobicContact CG-CG 4.19Å; R1618-E1622 WeakPolarHBondContact CG-OE1 2.97Å; R1618-E1622 WeakPolarHBondContact O-CB 2.69Å; R1618-E1622 WeakPolarHBondContact O-CG 3.08Å; R1618-E1622 PolarHBondContact O-N 3.24Å; K1620-E1622 VanDerWaalsContact C-N 3.27Å; K1620-E1622 PolarHBondContact O-N 3.06Å; E1622-L1625 PolarHBondContact O-N 2.75Å; E1622-A1626 WeakPolarHBondContact O-CB 3.49Å; E1622-A1626 PolarHBondContact O-N 3.38Å | |
| 1623 | T | 75.8 | Confident | 76.7 | Confident | 75 Ų | 75 | 97.3 Ų | 97.3 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -39.7 | 0 | 0 | 0 | 0 | 110.7 | K1619 K1620 A1626 D1627 | K1619-T1623 VanDerWaalsContact C-OG1 3.26Å; K1619-T1623 WeakPolarHBondContact O-CB 3.23Å; K1619-T1623 PolarHBondContact O-N 2.92Å; K1619-T1623 PolarHBondContact O-OG1 2.94Å; K1620-T1623 PolarHBondContact O-N 2.76Å; T1623-A1626 PolarHBondContact O-N 3.29Å; T1623-D1627 WeakPolarHBondContact O-CB 3.43Å; T1623-D1627 VanDerWaalsContact O-CG 3.29Å; T1623-D1627 PolarHBondContact O-N 2.77Å | |
| 1624 | D | 77.1 | Confident | 76.9 | Confident | 68 Ų | 68 | 98.9 Ų | 98.9 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | 0 | -39.5 | 0 | -72.9 | -10.2 | 0 | 0 | 0 | 111.4 | K1620 A1626 D1627 I1628 | K1620-D1624 VanDerWaalsContact O-CB 3.27Å; K1620-D1624 WeakPolarHBondContact O-CB 3.36Å; K1620-D1624 PolarHBondContact O-N 3.47Å; D1624-A1626 VanDerWaalsContact C-N 3.34Å; D1624-D1627 PolarHBondContact O-N 2.79Å; D1624-I1628 WeakPolarHBondContact O-CB 3.4Å; D1624-I1628 WeakPolarHBondContact O-CG1 3.46Å; D1624-I1628 PolarHBondContact O-N 3.47Å | |
| 1625 | L | 77.7 | Confident | 77.3 | Confident | 118 Ų | 118 | 94.9 Ų | 94.9 | 62% | 0.618 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.4 | 0 | 179.7 | -162.7 | 141.4 | 0 | 0 | 0 | 110.2 | L1621 E1622 S1629 | L1621-L1625 WeakPolarHBondContact O-CB 3.41Å; L1621-L1625 PolarHBondContact O-N 2.79Å; E1622-L1625 PolarHBondContact O-N 2.75Å; L1625-S1629 WeakPolarHBondContact O-CB 3.49Å; L1625-S1629 PolarHBondContact O-N 3.32Å; L1625-S1629 PolarHBondContact O-OG 2.83Å |
| 1626 | A | 79.7 | Confident | 77.7 | Confident | 55 Ų | 55 | 95.8 Ų | 95.8 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | E1622 T1623 D1624 S1629 Q1630 | E1622-A1626 WeakPolarHBondContact O-CB 3.49Å; E1622-A1626 PolarHBondContact O-N 3.38Å; T1623-A1626 PolarHBondContact O-N 3.29Å; D1624-A1626 VanDerWaalsContact C-N 3.34Å; A1626-S1629 PolarHBondContact O-N 2.75Å; A1626-Q1630 VanDerWaalsContact O-CB 3.31Å; A1626-Q1630 WeakPolarHBondContact O-CB 3.43Å; A1626-Q1630 PolarHBondContact O-N 3.41Å | |
| 1627 | D | 77 | Confident | 78.1 | Confident | 51 Ų | 51 | 98.4 Ų | 98.4 | 27% | 0.273 | 49% | 0.491 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -75.4 | -9.7 | 0 | 0 | 0 | 111.2 | T1623 D1624 S1629 Q1630 R1631 | T1623-D1627 WeakPolarHBondContact O-CB 3.43Å; T1623-D1627 VanDerWaalsContact O-CG 3.29Å; T1623-D1627 PolarHBondContact O-N 2.77Å; D1624-D1627 PolarHBondContact O-N 2.79Å; D1627-S1629 VanDerWaalsContact C-N 3.31Å; D1627-Q1630 PolarHBondContact O-N 3.35Å; D1627-R1631 WeakPolarHBondContact O-CB 3.36Å; D1627-R1631 VanDerWaalsContact O-CG 3.28Å; D1627-R1631 WeakPolarHBondContact O-CG 3.35Å; D1627-R1631 PolarHBondContact O-N 3.45Å | |
| 1628 | I | 78 | Confident | 78.6 | Confident | 115 Ų | 115 | 99.8 Ų | 99.8 | 59% | 0.59 | 49% | 0.492 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -70.1 | 172.8 | 0 | 0 | 0 | 109.7 | D1624 R1631 L1632 | D1624-I1628 WeakPolarHBondContact O-CB 3.4Å; D1624-I1628 WeakPolarHBondContact O-CG1 3.46Å; D1624-I1628 PolarHBondContact O-N 3.47Å; I1628-R1631 PolarHBondContact O-N 3.44Å; I1628-L1632 VanDerWaalsContact O-CB 3.22Å; I1628-L1632 WeakPolarHBondContact O-CB 2.78Å; I1628-L1632 PolarHBondContact O-N 2.82Å | |
| 1629 | S | 80.9 | Confident | 79.1 | Confident | 47 Ų | 47 | 99.7 Ų | 99.7 | 33% | 0.329 | 50% | 0.496 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -69.6 | 0 | 0 | 0 | 0 | 110.5 | L1625 A1626 D1627 L1632 E1633 | L1625-S1629 WeakPolarHBondContact O-CB 3.49Å; L1625-S1629 PolarHBondContact O-N 3.32Å; L1625-S1629 PolarHBondContact O-OG 2.83Å; A1626-S1629 PolarHBondContact O-N 2.75Å; D1627-S1629 VanDerWaalsContact C-N 3.31Å; S1629-L1632 PolarHBondContact O-N 3.4Å; S1629-E1633 VanDerWaalsContact O-CB 3.31Å; S1629-E1633 WeakPolarHBondContact O-CB 3.42Å; S1629-E1633 VanDerWaalsContact O-CG 3.25Å; S1629-E1633 WeakPolarHBondContact O-CG 3.43Å; S1629-E1633 PolarHBondContact O-N 2.92Å | |
| 1630 | Q | 79.6 | Confident | 79.5 | Confident | 126 Ų | 126 | 97.8 Ų | 97.8 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -173.3 | -180 | 3.8 | 0 | 0 | 110.3 | A1626 D1627 E1633 L1634 | A1626-Q1630 VanDerWaalsContact O-CB 3.31Å; A1626-Q1630 WeakPolarHBondContact O-CB 3.43Å; A1626-Q1630 PolarHBondContact O-N 3.41Å; D1627-Q1630 PolarHBondContact O-N 3.35Å; Q1630-E1633 PolarHBondContact O-N 3.49Å; Q1630-L1634 WeakPolarHBondContact O-CB 3.06Å; Q1630-L1634 PolarHBondContact O-N 3.42Å | |
| 1631 | R | 79.1 | Confident | 79.9 | Confident | 147 Ų | 147 | 98.1 Ų | 98.1 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -75.6 | -174.4 | -174.4 | 171.7 | -0.2 | 111.5 | R645 D1627 I1628 E1633 L1634 A1635 | R645-R1631 VanDerWaalsContact NH1-NH2 3.11Å; D1627-R1631 WeakPolarHBondContact O-CB 3.36Å; D1627-R1631 VanDerWaalsContact O-CG 3.28Å; D1627-R1631 WeakPolarHBondContact O-CG 3.35Å; D1627-R1631 PolarHBondContact O-N 3.45Å; I1628-R1631 PolarHBondContact O-N 3.44Å; R1631-E1633 VanDerWaalsContact C-N 3.33Å; R1631-L1634 PolarHBondContact O-N 2.88Å; R1631-A1635 VanDerWaalsContact O-CB 3.31Å; R1631-A1635 WeakPolarHBondContact O-CB 3.33Å; R1631-A1635 PolarHBondContact O-N 3.48Å | |
| 1632 | L | 81.4 | Confident | 80.2 | Confident | 102 Ų | 102 | 95.6 Ų | 95.6 | 53% | 0.534 | 49% | 0.487 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -179.4 | 69.9 | 0 | 0 | 0 | 110.3 | I1628 S1629 A1635 N1636 | I1628-L1632 VanDerWaalsContact O-CB 3.22Å; I1628-L1632 WeakPolarHBondContact O-CB 2.78Å; I1628-L1632 PolarHBondContact O-N 2.82Å; S1629-L1632 PolarHBondContact O-N 3.4Å; L1632-A1635 PolarHBondContact O-N 3.22Å; L1632-N1636 WeakPolarHBondContact O-CB 3.23Å; L1632-N1636 VanDerWaalsContact O-CG 3.3Å; L1632-N1636 PolarHBondContact O-N 3.21Å; L1632-N1636 PolarHBondContact O-ND2 3.26Å | |
| 1633 | E | 81.1 | Confident | 80.5 | Confident | 110 Ų | 110 | 93.5 Ų | 93.5 | 51% | 0.514 | 48% | 0.481 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -82.8 | 178.5 | -173.7 | 0 | 0 | 110.3 | S1629 Q1630 R1631 N1636 R1637 | S1629-E1633 VanDerWaalsContact O-CB 3.31Å; S1629-E1633 WeakPolarHBondContact O-CB 3.42Å; S1629-E1633 VanDerWaalsContact O-CG 3.25Å; S1629-E1633 WeakPolarHBondContact O-CG 3.43Å; S1629-E1633 PolarHBondContact O-N 2.92Å; Q1630-E1633 PolarHBondContact O-N 3.49Å; R1631-E1633 VanDerWaalsContact C-N 3.33Å; E1633-N1636 PolarHBondContact O-N 2.75Å; E1633-R1637 WeakPolarHBondContact O-CB 3.27Å; E1633-R1637 WeakPolarHBondContact O-CG 2.93Å; E1633-R1637 PolarHBondContact O-N 3.39Å | |
| 1634 | L | 80.3 | Confident | 80.7 | Confident | 98 Ų | 98 | 95.3 Ų | 95.3 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -171.2 | 112 | 0 | 0 | 0 | 110.5 | Q1630 R1631 N1636 R1637 Q1638 | Q1630-L1634 WeakPolarHBondContact O-CB 3.06Å; Q1630-L1634 PolarHBondContact O-N 3.42Å; R1631-L1634 PolarHBondContact O-N 2.88Å; L1634-N1636 VanDerWaalsContact C-N 3.33Å; L1634-R1637 PolarHBondContact O-N 2.84Å; L1634-Q1638 WeakPolarHBondContact O-CB 2.25Å; L1634-Q1638 VanDerWaalsContact O-CG 3.3Å; L1634-Q1638 WeakPolarHBondContact O-CG 3.37Å; L1634-Q1638 PolarHBondContact O-N 2.44Å | |
| 1635 | A | 82.1 | Confident | 80.9 | Confident | 51 Ų | 51 | 97.5 Ų | 97.5 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1631 L1632 Q1638 K1639 | R1631-A1635 VanDerWaalsContact O-CB 3.31Å; R1631-A1635 WeakPolarHBondContact O-CB 3.33Å; R1631-A1635 PolarHBondContact O-N 3.48Å; L1632-A1635 PolarHBondContact O-N 3.22Å; A1635-Q1638 PolarHBondContact O-N 2.8Å; A1635-K1639 WeakPolarHBondContact O-CB 3.19Å; A1635-K1639 PolarHBondContact O-N 3.38Å | |
| 1636 | N | 82.3 | Confident | 81 | Confident | 72 Ų | 72 | 96.6 Ų | 96.6 | 39% | 0.385 | 49% | 0.486 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -82.6 | -23.5 | 0 | 0 | 0 | 110.8 | L1632 E1633 L1634 K1639 E1640 | L1632-N1636 WeakPolarHBondContact O-CB 3.23Å; L1632-N1636 VanDerWaalsContact O-CG 3.3Å; L1632-N1636 PolarHBondContact O-N 3.21Å; L1632-N1636 PolarHBondContact O-ND2 3.26Å; E1633-N1636 PolarHBondContact O-N 2.75Å; L1634-N1636 VanDerWaalsContact C-N 3.33Å; N1636-K1639 PolarHBondContact O-N 3.29Å; N1636-E1640 WeakPolarHBondContact O-CB 3.12Å; N1636-E1640 VanDerWaalsContact O-CG 3.25Å; N1636-E1640 WeakPolarHBondContact O-CG 3.49Å; N1636-E1640 PolarHBondContact O-N 2.7Å | |
| 1637 | R | 81.4 | Confident | 81.1 | Confident | 159 Ų | 159 | 97.6 Ų | 97.6 | 60% | 0.6 | 48% | 0.48 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -87.3 | -174.1 | -170.7 | 158.5 | 0 | 110.2 | E1633 L1634 K1639 E1640 E1641 | E1633-R1637 WeakPolarHBondContact O-CB 3.27Å; E1633-R1637 WeakPolarHBondContact O-CG 2.93Å; E1633-R1637 PolarHBondContact O-N 3.39Å; L1634-R1637 PolarHBondContact O-N 2.84Å; R1637-K1639 VanDerWaalsContact C-N 3.27Å; R1637-E1640 PolarHBondContact O-N 3.43Å; R1637-E1640 VanDerWaalsContact O-N 3.12Å; R1637-E1641 WeakPolarHBondContact O-CB 3.46Å; R1637-E1641 PolarHBondContact O-N 3.42Å | |
| 1638 | Q | 82.4 | Confident | 81.2 | Confident | 115 Ų | 115 | 102.2 Ų | 102.2 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -74.6 | 177.7 | -10 | 0 | 0 | 111.2 | L1634 A1635 A1642 | L1634-Q1638 WeakPolarHBondContact O-CB 2.25Å; L1634-Q1638 VanDerWaalsContact O-CG 3.3Å; L1634-Q1638 WeakPolarHBondContact O-CG 3.37Å; L1634-Q1638 PolarHBondContact O-N 2.44Å; A1635-Q1638 PolarHBondContact O-N 2.8Å; Q1638-A1642 VanDerWaalsContact O-CB 3.29Å; Q1638-A1642 WeakPolarHBondContact O-CB 3.45Å; Q1638-A1642 PolarHBondContact O-N 3.02Å | |
| 1639 | K | 84.6 | Confident | 81.1 | Confident | 144 Ų | 144 | 104.4 Ų | 104.4 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | 0 | 0 | 0 | 178.9 | -169.3 | 163.1 | 175.3 | 0 | 111 | A1635 N1636 R1637 A1642 V1643 | A1635-K1639 WeakPolarHBondContact O-CB 3.19Å; A1635-K1639 PolarHBondContact O-N 3.38Å; N1636-K1639 PolarHBondContact O-N 3.29Å; R1637-K1639 VanDerWaalsContact C-N 3.27Å; K1639-A1642 PolarHBondContact O-N 2.95Å; K1639-V1643 WeakPolarHBondContact O-CG2 3.49Å; K1639-V1643 PolarHBondContact O-N 2.74Å | |
| 1640 | E | 82.7 | Confident | 81 | Confident | 69 Ų | 69 | 107.9 Ų | 107.9 | 32% | 0.322 | 51% | 0.51 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -76.7 | 179.9 | 178.5 | 0 | 0 | 110.3 | N1636 R1637 V1643 K1644 | N1636-E1640 WeakPolarHBondContact O-CB 3.12Å; N1636-E1640 VanDerWaalsContact O-CG 3.25Å; N1636-E1640 WeakPolarHBondContact O-CG 3.49Å; N1636-E1640 PolarHBondContact O-N 2.7Å; R1637-E1640 PolarHBondContact O-N 3.43Å; R1637-E1640 VanDerWaalsContact O-N 3.12Å; E1640-V1643 PolarHBondContact O-N 3.35Å; E1640-K1644 WeakPolarHBondContact O-CB 2.56Å; E1640-K1644 VanDerWaalsContact O-CG 3.29Å; E1640-K1644 WeakPolarHBondContact O-CG 3.47Å; E1640-K1644 PolarHBondContact O-N 3.32Å | |
| 1641 | E | 82.7 | Confident | 80.9 | Confident | 121 Ų | 121 | 105.1 Ų | 105.1 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -83.1 | 179.5 | -179 | 0 | 0 | 110.7 | R1637 V1643 K1644 Q1645 | R1637-E1641 WeakPolarHBondContact O-CB 3.46Å; R1637-E1641 PolarHBondContact O-N 3.42Å; E1641-V1643 VanDerWaalsContact C-N 3.31Å; E1641-K1644 PolarHBondContact O-N 3.41Å; E1641-Q1645 WeakPolarHBondContact O-CB 3.39Å; E1641-Q1645 PolarHBondContact O-N 3.43Å | |
| 1642 | A | 81.9 | Confident | 80.8 | Confident | 56 Ų | 56 | 101.5 Ų | 101.5 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1638 K1639 Q1645 L1646 | Q1638-A1642 VanDerWaalsContact O-CB 3.29Å; Q1638-A1642 WeakPolarHBondContact O-CB 3.45Å; Q1638-A1642 PolarHBondContact O-N 3.02Å; K1639-A1642 PolarHBondContact O-N 2.95Å; A1642-Q1645 PolarHBondContact O-N 3.02Å; A1642-L1646 WeakPolarHBondContact O-CB 3.39Å; A1642-L1646 PolarHBondContact O-N 3.13Å | |
| 1643 | V | 82.2 | Confident | 80.5 | Confident | 64 Ų | 64 | 100.7 Ų | 100.7 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 170.1 | 0 | 0 | 0 | 0 | 109.2 | K1639 E1640 E1641 L1646 K1647 | K1639-V1643 WeakPolarHBondContact O-CG2 3.49Å; K1639-V1643 PolarHBondContact O-N 2.74Å; E1640-V1643 PolarHBondContact O-N 3.35Å; E1641-V1643 VanDerWaalsContact C-N 3.31Å; V1643-L1646 WeakPolarHBondContact O-CB 3.02Å; V1643-L1646 PolarHBondContact O-N 3.16Å; V1643-K1647 WeakPolarHBondContact O-CG 3.34Å; V1643-K1647 PolarHBondContact O-N 2.83Å | |
| 1644 | K | 81.4 | Confident | 80.3 | Confident | 114 Ų | 114 | 96.4 Ų | 96.4 | 50% | 0.496 | 48% | 0.484 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -81.5 | -175.5 | -174.5 | 177.9 | 0 | 110.3 | E1640 E1641 L1646 K1647 K1648 | E1640-K1644 WeakPolarHBondContact O-CB 2.56Å; E1640-K1644 VanDerWaalsContact O-CG 3.29Å; E1640-K1644 WeakPolarHBondContact O-CG 3.47Å; E1640-K1644 PolarHBondContact O-N 3.32Å; E1641-K1644 PolarHBondContact O-N 3.41Å; K1644-L1646 VanDerWaalsContact C-N 3.29Å; K1644-K1647 CarbonylContact O-C 3.34Å; K1644-K1647 PolarHBondContact O-N 3.12Å; K1644-K1647 VanDerWaalsContact O-N 3.09Å; K1644-K1648 WeakPolarHBondContact O-CB 3.21Å; K1644-K1648 PolarHBondContact O-N 3.25Å | |
| 1645 | Q | 81.3 | Confident | 80.1 | Confident | 114 Ų | 114 | 93 Ų | 93 | 53% | 0.533 | 47% | 0.472 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -94 | 177.3 | 1.7 | 0 | 0 | 111.1 | E1641 A1642 K1647 K1648 Y1649 | E1641-Q1645 WeakPolarHBondContact O-CB 3.39Å; E1641-Q1645 PolarHBondContact O-N 3.43Å; A1642-Q1645 PolarHBondContact O-N 3.02Å; Q1645-K1647 VanDerWaalsContact C-N 3.31Å; Q1645-K1648 PolarHBondContact O-N 1.93Å; Q1645-Y1649 HydrophobicContact CB-CE2 4.48Å; Q1645-Y1649 WeakPolarHBondContact O-CD2 3.3Å; Q1645-Y1649 PolarHBondContact O-N 3.03Å | |
| 1646 | L | 78.6 | Confident | 79.7 | Confident | 98 Ų | 98 | 95.2 Ų | 95.2 | 51% | 0.513 | 48% | 0.476 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -169 | 118 | 0 | 0 | 0 | 110.8 | A1642 V1643 K1644 Y1649 Q1650 | A1642-L1646 WeakPolarHBondContact O-CB 3.39Å; A1642-L1646 PolarHBondContact O-N 3.13Å; V1643-L1646 WeakPolarHBondContact O-CB 3.02Å; V1643-L1646 PolarHBondContact O-N 3.16Å; K1644-L1646 VanDerWaalsContact C-N 3.29Å; L1646-Y1649 PolarHBondContact O-N 2.8Å; L1646-Q1650 VanDerWaalsContact O-CG 3.29Å; L1646-Q1650 WeakPolarHBondContact O-CG 3.5Å; L1646-Q1650 PolarHBondContact O-N 2.95Å | |
| 1647 | K | 81.4 | Confident | 79.3 | Confident | 77 Ų | 77 | 96.1 Ų | 96.1 | 34% | 0.335 | 48% | 0.478 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -79.7 | -173.6 | -179.6 | 178.1 | 0 | 110.4 | V1643 K1644 Q1645 Q1650 S1651 | V1643-K1647 WeakPolarHBondContact O-CG 3.34Å; V1643-K1647 PolarHBondContact O-N 2.83Å; K1644-K1647 CarbonylContact O-C 3.34Å; K1644-K1647 PolarHBondContact O-N 3.12Å; K1644-K1647 VanDerWaalsContact O-N 3.09Å; Q1645-K1647 VanDerWaalsContact C-N 3.31Å; K1647-Q1650 CarbonylContact O-C 3.32Å; K1647-Q1650 PolarHBondContact O-N 3.12Å; K1647-S1651 WeakPolarHBondContact O-CB 3.47Å; K1647-S1651 PolarHBondContact O-N 3.49Å | |
| 1648 | K | 80.3 | Confident | 79 | Confident | 147 Ų | 147 | 95.5 Ų | 95.5 | 64% | 0.639 | 48% | 0.476 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -170.3 | 177.2 | 174.4 | 179.4 | 0 | 110.2 | K1644 Q1645 Q1650 S1651 V1652 | K1644-K1648 WeakPolarHBondContact O-CB 3.21Å; K1644-K1648 PolarHBondContact O-N 3.25Å; Q1645-K1648 PolarHBondContact O-N 1.93Å; K1648-Q1650 PolarHBondContact O-N 2.88Å; K1648-S1651 PolarHBondContact O-N 2.96Å; K1648-S1651 VanDerWaalsContact O-N 3.07Å; K1648-V1652 HydrophobicContact CG-CG2 4.24Å; K1648-V1652 WeakPolarHBondContact O-CB 3.38Å; K1648-V1652 WeakPolarHBondContact O-CG2 3.49Å; K1648-V1652 PolarHBondContact O-N 3.37Å | |
| 1649 | Y | 76.1 | Confident | 78.6 | Confident | 162 Ų | 162 | 96.6 Ų | 96.6 | 64% | 0.635 | 48% | 0.481 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -78 | -52 | 0 | 0 | 0 | 111.4 | Q1645 L1646 T1653 | Q1645-Y1649 HydrophobicContact CB-CE2 4.48Å; Q1645-Y1649 WeakPolarHBondContact O-CD2 3.3Å; Q1645-Y1649 PolarHBondContact O-N 3.03Å; L1646-Y1649 PolarHBondContact O-N 2.8Å; Y1649-T1653 VanDerWaalsContact O-CB 3.31Å; Y1649-T1653 WeakPolarHBondContact O-CB 3.19Å; Y1649-T1653 PolarHBondContact O-N 3.05Å; Y1649-T1653 PolarHBondContact O-OG1 2.96Å | |
| 1650 | Q | 77.9 | Confident | 78.1 | Confident | 119 Ų | 119 | 94.8 Ų | 94.8 | 56% | 0.556 | 48% | 0.478 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -78.2 | 179.4 | -19 | 0 | 0 | 110.8 | L1646 K1647 K1648 G1654 | L1646-Q1650 VanDerWaalsContact O-CG 3.29Å; L1646-Q1650 WeakPolarHBondContact O-CG 3.5Å; L1646-Q1650 PolarHBondContact O-N 2.95Å; K1647-Q1650 CarbonylContact O-C 3.32Å; K1647-Q1650 PolarHBondContact O-N 3.12Å; K1648-Q1650 PolarHBondContact O-N 2.88Å; Q1650-G1654 PolarHBondContact O-N 3.49Å | |
| 1651 | S | 77.3 | Confident | 77.8 | Confident | 69 Ų | 69 | 96.5 Ų | 96.5 | 48% | 0.483 | 49% | 0.486 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 161.2 | 0 | 0 | 0 | 0 | 110 | K1647 K1648 G1654 G1655 | K1647-S1651 WeakPolarHBondContact O-CB 3.47Å; K1647-S1651 PolarHBondContact O-N 3.49Å; K1648-S1651 PolarHBondContact O-N 2.96Å; K1648-S1651 VanDerWaalsContact O-N 3.07Å; S1651-G1654 CarbonylContact O-C 2.97Å; S1651-G1654 PolarHBondContact O-N 3.24Å; S1651-G1654 VanDerWaalsContact O-N 3.15Å; S1651-G1655 PolarHBondContact O-N 3.36Å | |
| 1652 | V | 77.8 | Confident | 77.4 | Confident | 70 Ų | 70 | 95 Ų | 95 | 42% | 0.424 | 48% | 0.481 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 171.3 | 0 | 0 | 0 | 0 | 109.2 | K1648 G1654 G1655 I1656 | K1648-V1652 HydrophobicContact CG-CG2 4.24Å; K1648-V1652 WeakPolarHBondContact O-CB 3.38Å; K1648-V1652 WeakPolarHBondContact O-CG2 3.49Å; K1648-V1652 PolarHBondContact O-N 3.37Å; V1652-G1654 PolarHBondContact O-N 3.2Å; V1652-G1655 PolarHBondContact O-N 2.91Å; V1652-G1655 VanDerWaalsContact O-N 3.08Å; V1652-I1656 HydrophobicContact CG1-CD1 3.94Å; V1652-I1656 HydrophobicContact CG1-CG1 4.31Å; V1652-I1656 VanDerWaalsContact O-CG1 3.27Å; V1652-I1656 WeakPolarHBondContact O-CG1 3.32Å; V1652-I1656 PolarHBondContact O-N 3.44Å | |
| 1653 | T | 74.4 | Confident | 77.1 | Confident | 85 Ų | 85 | 95.2 Ų | 95.2 | 52% | 0.521 | 48% | 0.483 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -41.6 | 0 | 0 | 0 | 0 | 110.9 | Y1649 Q1657 | Y1649-T1653 VanDerWaalsContact O-CB 3.31Å; Y1649-T1653 WeakPolarHBondContact O-CB 3.19Å; Y1649-T1653 PolarHBondContact O-N 3.05Å; Y1649-T1653 PolarHBondContact O-OG1 2.96Å; T1653-Q1657 WeakPolarHBondContact O-CB 3.43Å; T1653-Q1657 PolarHBondContact O-N 3.41Å | |
| 1654 | G | 77 | Confident | 76.8 | Confident | 20 Ų | 20 | 94.4 Ų | 94.4 | 21% | 0.206 | 48% | 0.483 | C | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q1650 S1651 V1652 Q1657 R1658 | Q1650-G1654 PolarHBondContact O-N 3.49Å; S1651-G1654 CarbonylContact O-C 2.97Å; S1651-G1654 PolarHBondContact O-N 3.24Å; S1651-G1654 VanDerWaalsContact O-N 3.15Å; V1652-G1654 PolarHBondContact O-N 3.2Å; G1654-Q1657 PolarHBondContact O-N 3.13Å; G1654-R1658 PolarHBondContact O-N 3.33Å | |
| 1655 | G | 75.9 | Confident | 76.6 | Confident | 26 Ų | 26 | 96 Ų | 96 | 27% | 0.268 | 49% | 0.486 | S | S | . | . | H | α-helix | 0 | -39.9 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1651 V1652 Q1657 R1658 E1659 | S1651-G1655 PolarHBondContact O-N 3.36Å; V1652-G1655 PolarHBondContact O-N 2.91Å; V1652-G1655 VanDerWaalsContact O-N 3.08Å; G1655-Q1657 PolarHBondContact O-N 3.31Å; G1655-R1658 PolarHBondContact O-N 3.1Å; G1655-R1658 VanDerWaalsContact O-N 3.16Å; G1655-E1659 PolarHBondContact O-N 2.98Å | |
| 1656 | I | 74 | Confident | 76.3 | Confident | 98 Ų | 98 | 93 Ų | 93 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.2 | 0 | -179.7 | -69.8 | 175.6 | 0 | 0 | 0 | 110.1 | V1652 R1658 E1659 L1660 | V1652-I1656 HydrophobicContact CG1-CD1 3.94Å; V1652-I1656 HydrophobicContact CG1-CG1 4.31Å; V1652-I1656 VanDerWaalsContact O-CG1 3.27Å; V1652-I1656 WeakPolarHBondContact O-CG1 3.32Å; V1652-I1656 PolarHBondContact O-N 3.44Å; I1656-R1658 VanDerWaalsContact C-N 3.28Å; I1656-R1658 PolarHBondContact O-N 2.73Å; I1656-E1659 PolarHBondContact O-N 3.49Å; I1656-L1660 VanDerWaalsContact O-CB 3.29Å; I1656-L1660 WeakPolarHBondContact O-CB 3.21Å; I1656-L1660 PolarHBondContact O-N 3.25Å |
| 1657 | Q | 74.5 | Confident | 76.2 | Confident | 91 Ų | 91 | 95.6 Ų | 95.6 | 43% | 0.425 | 48% | 0.484 | S | S | . | . | H | α-helix | 0 | -35.3 | 0 | -115.7 | 175.1 | -10.6 | 0 | 0 | 111 | T1653 G1654 G1655 L1660 E1661 | T1653-Q1657 WeakPolarHBondContact O-CB 3.43Å; T1653-Q1657 PolarHBondContact O-N 3.41Å; G1654-Q1657 PolarHBondContact O-N 3.13Å; G1655-Q1657 PolarHBondContact O-N 3.31Å; Q1657-L1660 PolarHBondContact O-N 3.46Å; Q1657-E1661 WeakPolarHBondContact O-CB 3.4Å; Q1657-E1661 WeakPolarHBondContact O-CG 3.48Å; Q1657-E1661 PolarHBondContact O-N 2.93Å | |
| 1658 | R | 75.5 | Confident | 76 | Confident | 146 Ų | 146 | 95.8 Ų | 95.8 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -74.5 | -37.9 | -179.1 | -100.7 | -174.7 | -121.3 | 154.9 | -1.4 | 110.4 | G1654 G1655 I1656 L1660 E1661 D1662 | G1654-R1658 PolarHBondContact O-N 3.33Å; G1655-R1658 PolarHBondContact O-N 3.1Å; G1655-R1658 VanDerWaalsContact O-N 3.16Å; I1656-R1658 VanDerWaalsContact C-N 3.28Å; I1656-R1658 PolarHBondContact O-N 2.73Å; R1658-L1660 VanDerWaalsContact C-N 3.28Å; R1658-L1660 PolarHBondContact O-N 3.43Å; R1658-E1661 CarbonylContact O-C 3.58Å; R1658-E1661 WeakPolarHBondContact O-CB 3.4Å; R1658-E1661 PolarHBondContact O-N 3.43Å; R1658-E1661 VanDerWaalsContact O-N 3.07Å; R1658-D1662 WeakPolarHBondContact O-CB 3.48Å; R1658-D1662 PolarHBondContact O-N 2.82Å |
| 1659 | E | 73.4 | Confident | 75.9 | Confident | 139 Ų | 139 | 95.4 Ų | 95.4 | 65% | 0.65 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.2 | 0 | 177.9 | -82.6 | -178.1 | -177.4 | 0 | 0 | 110.7 | G1655 I1656 D1662 A1663 | G1655-E1659 PolarHBondContact O-N 2.98Å; I1656-E1659 PolarHBondContact O-N 3.49Å; E1659-D1662 PolarHBondContact O-N 3.16Å; E1659-A1663 VanDerWaalsContact O-CB 3.27Å; E1659-A1663 WeakPolarHBondContact O-CB 3.14Å; E1659-A1663 PolarHBondContact O-N 3.02Å |
| 1660 | L | 74.1 | Confident | 75.7 | Confident | 106 Ų | 106 | 90.3 Ų | 90.3 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -153.1 | 104.7 | 0 | 0 | 0 | 111 | I1656 Q1657 R1658 A1663 A1664 | I1656-L1660 VanDerWaalsContact O-CB 3.29Å; I1656-L1660 WeakPolarHBondContact O-CB 3.21Å; I1656-L1660 PolarHBondContact O-N 3.25Å; Q1657-L1660 PolarHBondContact O-N 3.46Å; R1658-L1660 VanDerWaalsContact C-N 3.28Å; R1658-L1660 PolarHBondContact O-N 3.43Å; L1660-A1663 PolarHBondContact O-N 3.45Å; L1660-A1664 VanDerWaalsContact O-CB 3.25Å; L1660-A1664 WeakPolarHBondContact O-CB 2.8Å; L1660-A1664 PolarHBondContact O-N 3.01Å | |
| 1661 | E | 76 | Confident | 75.7 | Confident | 105 Ų | 105 | 87.7 Ų | 87.7 | 49% | 0.491 | 47% | 0.47 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -82.6 | 177.5 | -179 | 0 | 0 | 110.6 | Q1657 R1658 A1664 R1665 | Q1657-E1661 WeakPolarHBondContact O-CB 3.4Å; Q1657-E1661 WeakPolarHBondContact O-CG 3.48Å; Q1657-E1661 PolarHBondContact O-N 2.93Å; R1658-E1661 CarbonylContact O-C 3.58Å; R1658-E1661 WeakPolarHBondContact O-CB 3.4Å; R1658-E1661 PolarHBondContact O-N 3.43Å; R1658-E1661 VanDerWaalsContact O-N 3.07Å; E1661-A1664 PolarHBondContact O-N 3.37Å; E1661-R1665 VanDerWaalsContact O-CB 3.27Å; E1661-R1665 WeakPolarHBondContact O-CB 2.88Å; E1661-R1665 PolarHBondContact O-N 3.49Å | |
| 1662 | D | 75.5 | Confident | 75.7 | Confident | 89 Ų | 89 | 88.7 Ų | 88.7 | 48% | 0.476 | 47% | 0.47 | S | S | . | . | H | α-helix | 0 | -37.1 | 0 | -79.1 | -12.8 | 0 | 0 | 0 | 110 | R1658 E1659 A1664 R1665 A1666 | R1658-D1662 WeakPolarHBondContact O-CB 3.48Å; R1658-D1662 PolarHBondContact O-N 2.82Å; E1659-D1662 PolarHBondContact O-N 3.16Å; D1662-A1664 VanDerWaalsContact C-N 3.25Å; D1662-R1665 CarbonylContact O-C 3.23Å; D1662-R1665 PolarHBondContact O-N 3.37Å; D1662-R1665 VanDerWaalsContact O-N 3.15Å; D1662-R1665 IonicContact OD1-NH2 3.76Å; D1662-A1666 VanDerWaalsContact O-CB 3.28Å; D1662-A1666 WeakPolarHBondContact O-CB 2.74Å; D1662-A1666 PolarHBondContact O-N 3.14Å | |
| 1663 | A | 73.9 | Confident | 75.5 | Confident | 61 Ų | 61 | 88 Ų | 88 | 50% | 0.504 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | 0 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | E1659 L1660 A1666 R1667 | E1659-A1663 VanDerWaalsContact O-CB 3.27Å; E1659-A1663 WeakPolarHBondContact O-CB 3.14Å; E1659-A1663 PolarHBondContact O-N 3.02Å; L1660-A1663 PolarHBondContact O-N 3.45Å; A1663-A1666 PolarHBondContact O-N 2.86Å; A1663-R1667 WeakPolarHBondContact O-CB 3.22Å; A1663-R1667 PolarHBondContact O-N 2.74Å |
| 1664 | A | 76.5 | Confident | 75.5 | Confident | 47 Ų | 47 | 86.5 Ų | 86.5 | 39% | 0.388 | 47% | 0.465 | S | S | . | . | H | α-helix | 0 | -37.1 | 0 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1660 E1661 D1662 R1667 D1668 | L1660-A1664 VanDerWaalsContact O-CB 3.25Å; L1660-A1664 WeakPolarHBondContact O-CB 2.8Å; L1660-A1664 PolarHBondContact O-N 3.01Å; E1661-A1664 PolarHBondContact O-N 3.37Å; D1662-A1664 VanDerWaalsContact C-N 3.25Å; A1664-R1667 PolarHBondContact O-N 2.91Å; A1664-D1668 PolarHBondContact O-N 3.44Å | |
| 1665 | R | 77.9 | Confident | 75.4 | Confident | 146 Ų | 146 | 93.8 Ų | 93.8 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -71.4 | -37.6 | 179 | -98.2 | -170.9 | -98.9 | -171.6 | 0.3 | 110.4 | E1661 D1662 R1667 D1668 Q1669 | E1661-R1665 VanDerWaalsContact O-CB 3.27Å; E1661-R1665 WeakPolarHBondContact O-CB 2.88Å; E1661-R1665 PolarHBondContact O-N 3.49Å; D1662-R1665 CarbonylContact O-C 3.23Å; D1662-R1665 PolarHBondContact O-N 3.37Å; D1662-R1665 VanDerWaalsContact O-N 3.15Å; D1662-R1665 IonicContact OD1-NH2 3.76Å; R1665-R1667 VanDerWaalsContact C-N 3.28Å; R1665-R1667 PolarHBondContact O-N 3.32Å; R1665-D1668 PolarHBondContact O-N 2.95Å; R1665-D1668 VanDerWaalsContact O-N 3.13Å; R1665-Q1669 WeakPolarHBondContact O-CB 3.42Å; R1665-Q1669 PolarHBondContact O-N 3.06Å |
| 1666 | A | 74.9 | Confident | 75.3 | Confident | 53 Ų | 53 | 98.7 Ų | 98.7 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 179 | 0 | 0 | 0 | 0 | 0 | 109.9 | D1662 A1663 D1668 Q1669 A1670 | D1662-A1666 VanDerWaalsContact O-CB 3.28Å; D1662-A1666 WeakPolarHBondContact O-CB 2.74Å; D1662-A1666 PolarHBondContact O-N 3.14Å; A1663-A1666 PolarHBondContact O-N 2.86Å; A1666-D1668 VanDerWaalsContact C-N 3.3Å; A1666-Q1669 CarbonylContact O-C 3.26Å; A1666-Q1669 PolarHBondContact O-N 3.09Å; A1666-A1670 WeakPolarHBondContact O-CB 3.24Å; A1666-A1670 PolarHBondContact O-N 3.24Å |
| 1667 | R | 75.8 | Confident | 75.3 | Confident | 152 Ų | 152 | 99.5 Ų | 99.5 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.4 | 0 | 176 | -172.2 | -171.3 | 85.4 | 145.1 | 0.5 | 111.2 | A1663 A1664 R1665 Q1669 A1670 I1671 | A1663-R1667 WeakPolarHBondContact O-CB 3.22Å; A1663-R1667 PolarHBondContact O-N 2.74Å; A1664-R1667 PolarHBondContact O-N 2.91Å; R1665-R1667 VanDerWaalsContact C-N 3.28Å; R1665-R1667 PolarHBondContact O-N 3.32Å; R1667-Q1669 PolarHBondContact O-N 3.08Å; R1667-A1670 PolarHBondContact O-N 3.16Å; R1667-I1671 HydrophobicContact CG-CD1 4.11Å; R1667-I1671 HydrophobicContact CG-CG1 4.49Å; R1667-I1671 WeakPolarHBondContact O-CB 3.48Å; R1667-I1671 WeakPolarHBondContact O-CG1 3.11Å; R1667-I1671 PolarHBondContact O-N 3.11Å |
| 1668 | D | 78.4 | Confident | 75.3 | Confident | 80 Ų | 80 | 98.9 Ų | 98.9 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -78.2 | -16.8 | 0 | 0 | 0 | 110.7 | A1664 R1665 A1666 I1671 D1672 | A1664-D1668 PolarHBondContact O-N 3.44Å; R1665-D1668 PolarHBondContact O-N 2.95Å; R1665-D1668 VanDerWaalsContact O-N 3.13Å; A1666-D1668 VanDerWaalsContact C-N 3.3Å; D1668-I1671 PolarHBondContact O-N 3.33Å; D1668-D1672 VanDerWaalsContact O-CB 3.26Å; D1668-D1672 WeakPolarHBondContact O-CB 3.35Å; D1668-D1672 PolarHBondContact O-N 3.11Å | |
| 1669 | Q | 76.5 | Confident | 75.2 | Confident | 140 Ų | 140 | 99.2 Ų | 99.2 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | 0 | -33.2 | 0 | -91.6 | 178.2 | 3.8 | 0 | 0 | 110.2 | R1665 A1666 R1667 I1671 D1672 S1673 | R1665-Q1669 WeakPolarHBondContact O-CB 3.42Å; R1665-Q1669 PolarHBondContact O-N 3.06Å; A1666-Q1669 CarbonylContact O-C 3.26Å; A1666-Q1669 PolarHBondContact O-N 3.09Å; R1667-Q1669 PolarHBondContact O-N 3.08Å; Q1669-I1671 VanDerWaalsContact C-N 3.32Å; Q1669-D1672 PolarHBondContact O-N 3.14Å; Q1669-S1673 VanDerWaalsContact O-CB 3.27Å; Q1669-S1673 WeakPolarHBondContact O-CB 3.17Å; Q1669-S1673 PolarHBondContact O-N 3.06Å; Q1669-S1673 PolarHBondContact O-OG 2.73Å | |
| 1670 | A | 73 | Confident | 75.2 | Confident | 54 Ų | 54 | 98.8 Ų | 98.8 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.7 | 0 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1666 R1667 S1673 A1674 | A1666-A1670 WeakPolarHBondContact O-CB 3.24Å; A1666-A1670 PolarHBondContact O-N 3.24Å; R1667-A1670 PolarHBondContact O-N 3.16Å; A1670-S1673 WeakPolarHBondContact CA-OG 3.23Å; A1670-S1673 CarbonylContact O-C 3.58Å; A1670-S1673 PolarHBondContact O-N 2.27Å; A1670-S1673 PolarHBondContact O-OG 3.42Å; A1670-A1674 VanDerWaalsContact O-CB 3.27Å; A1670-A1674 WeakPolarHBondContact O-CB 3.2Å; A1670-A1674 PolarHBondContact O-N 3.19Å |
| 1671 | I | 78.2 | Confident | 75 | Confident | 65 Ų | 65 | 101.1 Ų | 101.1 | 33% | 0.333 | 51% | 0.51 | S | S | . | . | H | α-helix | 0 | -32.9 | 0 | -70.8 | 175.3 | 0 | 0 | 0 | 109.6 | R1667 D1668 Q1669 S1673 A1674 R1675 | R1667-I1671 HydrophobicContact CG-CD1 4.11Å; R1667-I1671 HydrophobicContact CG-CG1 4.49Å; R1667-I1671 WeakPolarHBondContact O-CB 3.48Å; R1667-I1671 WeakPolarHBondContact O-CG1 3.11Å; R1667-I1671 PolarHBondContact O-N 3.11Å; D1668-I1671 PolarHBondContact O-N 3.33Å; Q1669-I1671 VanDerWaalsContact C-N 3.32Å; I1671-S1673 VanDerWaalsContact C-N 3.33Å; I1671-A1674 PolarHBondContact O-N 3.08Å; I1671-R1675 HydrophobicContact CG2-CG 4.46Å; I1671-R1675 VanDerWaalsContact O-CB 3.32Å; I1671-R1675 WeakPolarHBondContact O-CB 2.53Å; I1671-R1675 WeakPolarHBondContact O-CG 3.33Å; I1671-R1675 PolarHBondContact O-N 3.17Å | |
| 1672 | D | 75.9 | Confident | 74.9 | Confident | 89 Ų | 89 | 104.6 Ų | 104.6 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -74 | 0 | 178.7 | -82.2 | -15 | 0 | 0 | 0 | 110.2 | D1668 Q1669 R1675 E1676 | D1668-D1672 VanDerWaalsContact O-CB 3.26Å; D1668-D1672 WeakPolarHBondContact O-CB 3.35Å; D1668-D1672 PolarHBondContact O-N 3.11Å; Q1669-D1672 PolarHBondContact O-N 3.14Å; D1672-R1675 CarbonylContact O-C 3.24Å; D1672-R1675 PolarHBondContact O-N 3.12Å; D1672-E1676 WeakPolarHBondContact O-CB 3.14Å; D1672-E1676 PolarHBondContact O-N 2.72Å |
| 1673 | S | 74.3 | Confident | 74.6 | Confident | 55 Ų | 55 | 105.4 Ų | 105.4 | 39% | 0.385 | 52% | 0.521 | S | S | . | . | H | α-helix | 0 | -35.7 | 0 | 75.3 | 0 | 0 | 0 | 0 | 110.2 | Q1669 A1670 I1671 R1675 E1676 L1677 | Q1669-S1673 VanDerWaalsContact O-CB 3.27Å; Q1669-S1673 WeakPolarHBondContact O-CB 3.17Å; Q1669-S1673 PolarHBondContact O-N 3.06Å; Q1669-S1673 PolarHBondContact O-OG 2.73Å; A1670-S1673 WeakPolarHBondContact CA-OG 3.23Å; A1670-S1673 CarbonylContact O-C 3.58Å; A1670-S1673 PolarHBondContact O-N 2.27Å; A1670-S1673 PolarHBondContact O-OG 3.42Å; I1671-S1673 VanDerWaalsContact C-N 3.33Å; S1673-R1675 VanDerWaalsContact C-N 3.26Å; S1673-R1675 PolarHBondContact O-N 3.28Å; S1673-E1676 PolarHBondContact O-N 3.27Å; S1673-L1677 VanDerWaalsContact O-CB 3.3Å; S1673-L1677 WeakPolarHBondContact O-CB 3.38Å; S1673-L1677 PolarHBondContact O-N 3.39Å | |
| 1674 | A | 73.5 | Confident | 74.4 | Confident | 55 Ų | 55 | 108 Ų | 108 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.3 | 0 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | A1670 I1671 E1676 L1677 D1678 | A1670-A1674 VanDerWaalsContact O-CB 3.27Å; A1670-A1674 WeakPolarHBondContact O-CB 3.2Å; A1670-A1674 PolarHBondContact O-N 3.19Å; I1671-A1674 PolarHBondContact O-N 3.08Å; A1674-E1676 VanDerWaalsContact C-N 3.3Å; A1674-L1677 CarbonylContact O-C 3.33Å; A1674-L1677 PolarHBondContact O-N 3.29Å; A1674-D1678 WeakPolarHBondContact O-CA 3.15Å; A1674-D1678 WeakPolarHBondContact O-CB 3.39Å; A1674-D1678 PolarHBondContact O-N 2.92Å |
| 1675 | R | 76.3 | Confident | 74.1 | Confident | 173 Ų | 173 | 110 Ų | 110 | 65% | 0.653 | 53% | 0.53 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -85.4 | -174.9 | -173.1 | 166.9 | -0.9 | 110.8 | I1671 D1672 S1673 L1677 D1678 K1679 | I1671-R1675 HydrophobicContact CG2-CG 4.46Å; I1671-R1675 VanDerWaalsContact O-CB 3.32Å; I1671-R1675 WeakPolarHBondContact O-CB 2.53Å; I1671-R1675 WeakPolarHBondContact O-CG 3.33Å; I1671-R1675 PolarHBondContact O-N 3.17Å; D1672-R1675 CarbonylContact O-C 3.24Å; D1672-R1675 PolarHBondContact O-N 3.12Å; S1673-R1675 VanDerWaalsContact C-N 3.26Å; S1673-R1675 PolarHBondContact O-N 3.28Å; R1675-L1677 VanDerWaalsContact C-N 3.33Å; R1675-D1678 CarbonylContact O-C 3.41Å; R1675-D1678 PolarHBondContact O-N 3.42Å; R1675-K1679 VanDerWaalsContact O-CB 3.25Å; R1675-K1679 WeakPolarHBondContact O-CB 3.43Å; R1675-K1679 PolarHBondContact O-N 2.31Å | |
| 1676 | E | 74.3 | Confident | 73.8 | Confident | 128 Ų | 128 | 105.4 Ų | 105.4 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | 0 | -34.3 | 0 | -100.5 | -174.4 | 175.5 | 0 | 0 | 110.4 | D1672 S1673 A1674 D1678 K1679 K1680 | D1672-E1676 WeakPolarHBondContact O-CB 3.14Å; D1672-E1676 PolarHBondContact O-N 2.72Å; S1673-E1676 PolarHBondContact O-N 3.27Å; A1674-E1676 VanDerWaalsContact C-N 3.3Å; E1676-D1678 VanDerWaalsContact C-N 3.3Å; E1676-K1679 CarbonylContact O-C 3.54Å; E1676-K1679 PolarHBondContact O-N 3.46Å; E1676-K1679 VanDerWaalsContact O-N 3.17Å; E1676-K1680 WeakPolarHBondContact O-CA 3.22Å; E1676-K1680 WeakPolarHBondContact O-CB 3.35Å; E1676-K1680 WeakPolarHBondContact O-CG 3.41Å; E1676-K1680 PolarHBondContact O-N 3.24Å | |
| 1677 | L | 73.2 | Confident | 73.2 | Confident | 116 Ų | 116 | 105.8 Ų | 105.8 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72.4 | -36 | 177.9 | -106.1 | 145.9 | 0 | 0 | 0 | 110.1 | S1673 A1674 R1675 K1680 Y1681 | S1673-L1677 VanDerWaalsContact O-CB 3.3Å; S1673-L1677 WeakPolarHBondContact O-CB 3.38Å; S1673-L1677 PolarHBondContact O-N 3.39Å; A1674-L1677 CarbonylContact O-C 3.33Å; A1674-L1677 PolarHBondContact O-N 3.29Å; R1675-L1677 VanDerWaalsContact C-N 3.33Å; L1677-K1680 CarbonylContact O-C 3.37Å; L1677-K1680 PolarHBondContact O-N 3.32Å; L1677-Y1681 WeakPolarHBondContact O-CA 3.19Å; L1677-Y1681 WeakPolarHBondContact O-CB 2.89Å; L1677-Y1681 PolarHBondContact O-N 3.23Å |
| 1678 | D | 74.6 | Confident | 72.6 | Confident | 77 Ų | 77 | 104.7 Ų | 104.7 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.8 | 0 | 174.8 | -146.5 | 36.3 | 0 | 0 | 0 | 111.2 | A1674 R1675 E1676 K1680 Y1681 R1682 | A1674-D1678 WeakPolarHBondContact O-CA 3.15Å; A1674-D1678 WeakPolarHBondContact O-CB 3.39Å; A1674-D1678 PolarHBondContact O-N 2.92Å; R1675-D1678 CarbonylContact O-C 3.41Å; R1675-D1678 PolarHBondContact O-N 3.42Å; E1676-D1678 VanDerWaalsContact C-N 3.3Å; D1678-K1680 VanDerWaalsContact C-N 3.27Å; D1678-Y1681 CarbonylContact O-C 3.38Å; D1678-Y1681 PolarHBondContact O-N 2.8Å; D1678-R1682 VanDerWaalsContact O-CB 3.3Å; D1678-R1682 WeakPolarHBondContact O-CB 3.3Å; D1678-R1682 VanDerWaalsContact O-CG 3.28Å; D1678-R1682 WeakPolarHBondContact O-CG 3.45Å; D1678-R1682 PolarHBondContact O-N 2.83Å; D1678-R1682 IonicContact OD2-CZ 3.7Å; D1678-R1682 IonicContact OD2-NE 3.34Å; D1678-R1682 IonicContact OD2-NH2 3.29Å |
| 1679 | K | 73.3 | Confident | 72 | Confident | 153 Ų | 153 | 103.4 Ų | 103.4 | 67% | 0.665 | 52% | 0.518 | S | S | * | . | H | α-helix | 0 | -32.2 | 0 | -111.1 | -179.8 | -177.9 | 179.6 | 0 | 110.6 | R1675 E1676 Y1681 R1682 M1683 | R1675-K1679 VanDerWaalsContact O-CB 3.25Å; R1675-K1679 WeakPolarHBondContact O-CB 3.43Å; R1675-K1679 PolarHBondContact O-N 2.31Å; E1676-K1679 CarbonylContact O-C 3.54Å; E1676-K1679 PolarHBondContact O-N 3.46Å; E1676-K1679 VanDerWaalsContact O-N 3.17Å; K1679-Y1681 VanDerWaalsContact C-N 3.25Å; K1679-Y1681 PolarHBondContact O-N 3.45Å; K1679-R1682 PolarHBondContact O-N 3.34Å; K1679-M1683 WeakPolarHBondContact O-CA 3.34Å; K1679-M1683 WeakPolarHBondContact O-CB 3.35Å; K1679-M1683 WeakPolarHBondContact O-CG 3.42Å; K1679-M1683 PolarHBondContact O-N 3.45Å | |
| 1680 | K | 72.4 | Confident | 71.4 | Confident | 131 Ų | 131 | 104.1 Ų | 104.1 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.8 | 0 | 177.9 | -88.7 | -175.4 | -177.5 | 176.4 | 0 | 110.1 | E1676 L1677 D1678 M1683 L1684 | E1676-K1680 WeakPolarHBondContact O-CA 3.22Å; E1676-K1680 WeakPolarHBondContact O-CB 3.35Å; E1676-K1680 WeakPolarHBondContact O-CG 3.41Å; E1676-K1680 PolarHBondContact O-N 3.24Å; L1677-K1680 CarbonylContact O-C 3.37Å; L1677-K1680 PolarHBondContact O-N 3.32Å; D1678-K1680 VanDerWaalsContact C-N 3.27Å; K1680-M1683 CarbonylContact O-C 3.53Å; K1680-M1683 PolarHBondContact O-N 2.8Å; K1680-L1684 VanDerWaalsContact O-CA 3.31Å; K1680-L1684 WeakPolarHBondContact O-CA 2.99Å; K1680-L1684 WeakPolarHBondContact O-CB 3.38Å; K1680-L1684 VanDerWaalsContact O-CG 3.27Å; K1680-L1684 WeakPolarHBondContact O-CG 3.31Å; K1680-L1684 PolarHBondContact O-N 2.8Å |
| 1681 | Y | 71.1 | Confident | 70.4 | Confident | 155 Ų | 155 | 107.1 Ų | 107.1 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | H | α-helix | 0 | -35.2 | 0 | -163 | -95.9 | 0 | 0 | 0 | 109.8 | L1677 D1678 K1679 M1683 L1684 D1685 | L1677-Y1681 WeakPolarHBondContact O-CA 3.19Å; L1677-Y1681 WeakPolarHBondContact O-CB 2.89Å; L1677-Y1681 PolarHBondContact O-N 3.23Å; D1678-Y1681 CarbonylContact O-C 3.38Å; D1678-Y1681 PolarHBondContact O-N 2.8Å; K1679-Y1681 VanDerWaalsContact C-N 3.25Å; K1679-Y1681 PolarHBondContact O-N 3.45Å; Y1681-M1683 VanDerWaalsContact C-N 3.29Å; Y1681-L1684 PolarHBondContact O-N 2.93Å; Y1681-D1685 VanDerWaalsContact O-CB 3.22Å; Y1681-D1685 WeakPolarHBondContact O-CB 3.47Å; Y1681-D1685 PolarHBondContact O-N 3.23Å | |
| 1682 | R | 72.8 | Confident | 69.4 | Low | 177 Ų | 177 | 111 Ų | 111 | 67% | 0.668 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -74.7 | 0 | 177.3 | -77.5 | -171 | -170 | 163.8 | -0.2 | 110.8 | D1678 K1679 D1685 A1686 | D1678-R1682 VanDerWaalsContact O-CB 3.3Å; D1678-R1682 WeakPolarHBondContact O-CB 3.3Å; D1678-R1682 VanDerWaalsContact O-CG 3.28Å; D1678-R1682 WeakPolarHBondContact O-CG 3.45Å; D1678-R1682 PolarHBondContact O-N 2.83Å; D1678-R1682 IonicContact OD2-CZ 3.7Å; D1678-R1682 IonicContact OD2-NE 3.34Å; D1678-R1682 IonicContact OD2-NH2 3.29Å; K1679-R1682 PolarHBondContact O-N 3.34Å; R1682-D1685 CarbonylContact O-C 3.24Å; R1682-D1685 PolarHBondContact O-N 2.9Å; R1682-A1686 WeakPolarHBondContact O-CA 3.32Å; R1682-A1686 WeakPolarHBondContact O-CB 3.43Å; R1682-A1686 PolarHBondContact O-N 1.88Å |
| 1683 | M | 70.5 | Confident | 68.6 | Low | 107 Ų | 107 | 113.2 Ų | 113.2 | 53% | 0.527 | 55% | 0.547 | S | S | . | . | H | α-helix | 0 | -35.8 | 0 | -96.4 | -172.4 | 36.6 | 0 | 0 | 109.9 | K1679 K1680 Y1681 D1685 A1686 D1687 | K1679-M1683 WeakPolarHBondContact O-CA 3.34Å; K1679-M1683 WeakPolarHBondContact O-CB 3.35Å; K1679-M1683 WeakPolarHBondContact O-CG 3.42Å; K1679-M1683 PolarHBondContact O-N 3.45Å; K1680-M1683 CarbonylContact O-C 3.53Å; K1680-M1683 PolarHBondContact O-N 2.8Å; Y1681-M1683 VanDerWaalsContact C-N 3.29Å; M1683-D1685 VanDerWaalsContact C-N 3.28Å; M1683-A1686 CarbonylContact O-C 3.13Å; M1683-A1686 PolarHBondContact O-N 3.24Å; M1683-D1687 WeakPolarHBondContact O-CA 3.13Å; M1683-D1687 WeakPolarHBondContact O-CB 3.18Å; M1683-D1687 PolarHBondContact O-N 3.29Å | |
| 1684 | L | 68.6 | Low | 67.6 | Low | 115 Ų | 115 | 113.7 Ų | 113.7 | 60% | 0.602 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.2 | -32.7 | 177.5 | -90.7 | 161.9 | 0 | 0 | 0 | 109.5 | K1680 Y1681 D1687 K1688 | K1680-L1684 VanDerWaalsContact O-CA 3.31Å; K1680-L1684 WeakPolarHBondContact O-CA 2.99Å; K1680-L1684 WeakPolarHBondContact O-CB 3.38Å; K1680-L1684 VanDerWaalsContact O-CG 3.27Å; K1680-L1684 WeakPolarHBondContact O-CG 3.31Å; K1680-L1684 PolarHBondContact O-N 2.8Å; Y1681-L1684 PolarHBondContact O-N 2.93Å; L1684-D1687 CarbonylContact O-C 3.53Å; L1684-D1687 PolarHBondContact O-N 3.41Å; L1684-K1688 WeakPolarHBondContact O-CA 3.04Å; L1684-K1688 WeakPolarHBondContact O-CB 3.42Å; L1684-K1688 PolarHBondContact O-N 3.33Å |
| 1685 | D | 71.5 | Confident | 66.4 | Low | 89 Ų | 89 | 117 Ų | 117 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.4 | 0 | 174.4 | -132.7 | 9.6 | 0 | 0 | 0 | 111.4 | Y1681 R1682 M1683 D1687 K1688 A1689 | Y1681-D1685 VanDerWaalsContact O-CB 3.22Å; Y1681-D1685 WeakPolarHBondContact O-CB 3.47Å; Y1681-D1685 PolarHBondContact O-N 3.23Å; R1682-D1685 CarbonylContact O-C 3.24Å; R1682-D1685 PolarHBondContact O-N 2.9Å; M1683-D1685 VanDerWaalsContact C-N 3.28Å; D1685-D1687 VanDerWaalsContact C-N 3.34Å; D1685-K1688 PolarHBondContact O-N 3.25Å; D1685-A1689 WeakPolarHBondContact O-CB 3.36Å; D1685-A1689 PolarHBondContact O-N 2.12Å |
| 1686 | A | 70.2 | Confident | 65.6 | Low | 50 Ų | 50 | 110.6 Ų | 110.6 | 41% | 0.413 | 54% | 0.542 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.9 | R1682 M1683 K1688 A1689 R1690 | R1682-A1686 WeakPolarHBondContact O-CA 3.32Å; R1682-A1686 WeakPolarHBondContact O-CB 3.43Å; R1682-A1686 PolarHBondContact O-N 1.88Å; M1683-A1686 CarbonylContact O-C 3.13Å; M1683-A1686 PolarHBondContact O-N 3.24Å; A1686-K1688 VanDerWaalsContact C-N 3.3Å; A1686-A1689 CarbonylContact O-C 3.33Å; A1686-A1689 PolarHBondContact O-N 2.44Å; A1686-R1690 WeakPolarHBondContact O-CA 3.16Å; A1686-R1690 WeakPolarHBondContact O-CB 3.43Å; A1686-R1690 PolarHBondContact O-N 2.83Å | |
| 1687 | D | 63.1 | Low | 64.8 | Low | 60 Ų | 60 | 107.3 Ų | 107.3 | 32% | 0.321 | 53% | 0.531 | S | S | . | . | H | α-helix | 0 | -30.2 | 0 | -85.7 | -8.9 | 0 | 0 | 0 | 109.7 | M1683 L1684 D1685 R1690 L1691 | M1683-D1687 WeakPolarHBondContact O-CA 3.13Å; M1683-D1687 WeakPolarHBondContact O-CB 3.18Å; M1683-D1687 PolarHBondContact O-N 3.29Å; L1684-D1687 CarbonylContact O-C 3.53Å; L1684-D1687 PolarHBondContact O-N 3.41Å; D1685-D1687 VanDerWaalsContact C-N 3.34Å; D1687-R1690 CarbonylContact O-C 3.41Å; D1687-R1690 PolarHBondContact O-N 1.77Å; D1687-L1691 HydrophobicContact CB-CD1 4.29Å; D1687-L1691 WeakPolarHBondContact O-CA 3.17Å; D1687-L1691 WeakPolarHBondContact O-CB 3.01Å; D1687-L1691 WeakPolarHBondContact O-CD1 2.9Å; D1687-L1691 WeakPolarHBondContact O-CG 2.17Å; D1687-L1691 PolarHBondContact O-N 1.79Å | |
| 1688 | K | 63.1 | Low | 63.6 | Low | 129 Ų | 129 | 105.2 Ų | 105.2 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72 | -39.2 | 174.5 | -172.5 | -178.8 | 170.6 | 178.9 | 0 | 110 | L1684 D1685 A1686 R1690 L1691 Q1692 | L1684-K1688 WeakPolarHBondContact O-CA 3.04Å; L1684-K1688 WeakPolarHBondContact O-CB 3.42Å; L1684-K1688 PolarHBondContact O-N 3.33Å; D1685-K1688 PolarHBondContact O-N 3.25Å; A1686-K1688 VanDerWaalsContact C-N 3.3Å; K1688-R1690 VanDerWaalsContact C-N 3.34Å; K1688-L1691 PolarHBondContact O-N 2.77Å; K1688-Q1692 VanDerWaalsContact O-CB 3.28Å; K1688-Q1692 WeakPolarHBondContact O-CB 3.3Å; K1688-Q1692 PolarHBondContact O-N 3.38Å |
| 1689 | A | 65.5 | Low | 62.3 | Low | 54 Ų | 54 | 108.7 Ų | 108.7 | 45% | 0.446 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -76.1 | 0 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D1685 A1686 Q1692 E1693 | D1685-A1689 WeakPolarHBondContact O-CB 3.36Å; D1685-A1689 PolarHBondContact O-N 2.12Å; A1686-A1689 CarbonylContact O-C 3.33Å; A1686-A1689 PolarHBondContact O-N 2.44Å; A1689-Q1692 CarbonylContact O-C 3.09Å; A1689-Q1692 PolarHBondContact O-N 3.34Å; A1689-E1693 VanDerWaalsContact O-CB 3.29Å; A1689-E1693 WeakPolarHBondContact O-CB 3.39Å; A1689-E1693 PolarHBondContact O-N 3.29Å |
| 1690 | R | 63 | Low | 61.3 | Low | 155 Ų | 155 | 111.3 Ų | 111.3 | 59% | 0.585 | 55% | 0.545 | S | S | * | . | H | α-helix | 0 | -30 | 0 | -131 | -179.8 | 172.2 | -169.5 | -0.6 | 110 | A1686 D1687 K1688 Q1692 E1693 D1694 | A1686-R1690 WeakPolarHBondContact O-CA 3.16Å; A1686-R1690 WeakPolarHBondContact O-CB 3.43Å; A1686-R1690 PolarHBondContact O-N 2.83Å; D1687-R1690 CarbonylContact O-C 3.41Å; D1687-R1690 PolarHBondContact O-N 1.77Å; K1688-R1690 VanDerWaalsContact C-N 3.34Å; R1690-Q1692 VanDerWaalsContact C-N 3.28Å; R1690-E1693 CarbonylContact O-C 2.96Å; R1690-E1693 VanDerWaalsContact O-C 3.26Å; R1690-E1693 PolarHBondContact O-N 3.04Å; R1690-E1693 VanDerWaalsContact O-N 3.12Å; R1690-D1694 VanDerWaalsContact C-N 3.3Å; R1690-D1694 WeakPolarHBondContact CG-OD2 2.73Å; R1690-D1694 WeakPolarHBondContact O-CA 3.43Å; R1690-D1694 WeakPolarHBondContact O-CB 3.38Å; R1690-D1694 PolarHBondContact O-N 3.37Å | |
| 1691 | L | 53.6 | Low | 60.4 | Low | 117 Ų | 117 | 109.4 Ų | 109.4 | 61% | 0.613 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.5 | -24 | 175.6 | -81.8 | 164.2 | 0 | 0 | 0 | 109.4 | D1687 K1688 L1695 | D1687-L1691 HydrophobicContact CB-CD1 4.29Å; D1687-L1691 WeakPolarHBondContact O-CA 3.17Å; D1687-L1691 WeakPolarHBondContact O-CB 3.01Å; D1687-L1691 WeakPolarHBondContact O-CD1 2.9Å; D1687-L1691 WeakPolarHBondContact O-CG 2.17Å; D1687-L1691 PolarHBondContact O-N 1.79Å; K1688-L1691 PolarHBondContact O-N 2.77Å; L1691-L1695 WeakPolarHBondContact O-CA 3.31Å; L1691-L1695 WeakPolarHBondContact O-CB 3.36Å; L1691-L1695 PolarHBondContact O-N 3.48Å |
| 1692 | Q | 57.2 | Low | 59.4 | Low | 145 Ų | 145 | 105.4 Ų | 105.4 | 68% | 0.678 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -80.5 | 0 | 170.9 | -98.1 | 178.6 | -17.3 | 0 | 0 | 111 | K1688 A1689 R1690 | K1688-Q1692 VanDerWaalsContact O-CB 3.28Å; K1688-Q1692 WeakPolarHBondContact O-CB 3.3Å; K1688-Q1692 PolarHBondContact O-N 3.38Å; A1689-Q1692 CarbonylContact O-C 3.09Å; A1689-Q1692 PolarHBondContact O-N 3.34Å; R1690-Q1692 VanDerWaalsContact C-N 3.28Å |
| 1693 | E | 59 | Low | 58.4 | Low | 136 Ų | 136 | 107.1 Ų | 107.1 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -150.6 | 173.9 | -177 | 0 | 0 | 110.6 | A1689 R1690 G1696 V1697 | A1689-E1693 VanDerWaalsContact O-CB 3.29Å; A1689-E1693 WeakPolarHBondContact O-CB 3.39Å; A1689-E1693 PolarHBondContact O-N 3.29Å; R1690-E1693 CarbonylContact O-C 2.96Å; R1690-E1693 VanDerWaalsContact O-C 3.26Å; R1690-E1693 PolarHBondContact O-N 3.04Å; R1690-E1693 VanDerWaalsContact O-N 3.12Å; E1693-G1696 CarbonylContact O-C 2.96Å; E1693-G1696 PolarHBondContact O-N 3.21Å; E1693-V1697 WeakPolarHBondContact O-CB 3.46Å; E1693-V1697 WeakPolarHBondContact O-CG2 3.48Å; E1693-V1697 PolarHBondContact O-N 3Å | |
| 1694 | D | 53.6 | Low | 57.4 | Low | 65 Ų | 65 | 108.1 Ų | 108.1 | 35% | 0.348 | 55% | 0.549 | S | S | . | . | H | α-helix | 0 | -20.6 | 0 | -78.5 | -13.2 | 0 | 0 | 0 | 109.3 | R1690 G1696 V1697 S1698 | R1690-D1694 VanDerWaalsContact C-N 3.3Å; R1690-D1694 WeakPolarHBondContact CG-OD2 2.73Å; R1690-D1694 WeakPolarHBondContact O-CA 3.43Å; R1690-D1694 WeakPolarHBondContact O-CB 3.38Å; R1690-D1694 PolarHBondContact O-N 3.37Å; D1694-G1696 VanDerWaalsContact C-N 3.27Å; D1694-G1696 PolarHBondContact O-N 2.95Å; D1694-V1697 CarbonylContact O-C 3.3Å; D1694-V1697 PolarHBondContact O-N 3.46Å; D1694-S1698 VanDerWaalsContact C-CB 3.44Å; D1694-S1698 WeakPolarHBondContact O-CA 3.28Å; D1694-S1698 WeakPolarHBondContact O-CB 3.43Å; D1694-S1698 PolarHBondContact O-N 2.81Å | |
| 1695 | L | 47.4 | Very low | 56.5 | Low | 124 Ų | 124 | 107.5 Ų | 107.5 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72 | -18.9 | 168 | -174.1 | 72.7 | 0 | 0 | 0 | 110.6 | L1691 | L1691-L1695 WeakPolarHBondContact O-CA 3.31Å; L1691-L1695 WeakPolarHBondContact O-CB 3.36Å; L1691-L1695 PolarHBondContact O-N 3.48Å |
| 1696 | G | 59.1 | Low | 55.5 | Low | 39 Ų | 39 | 110.6 Ų | 110.6 | 40% | 0.402 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -92.8 | -24 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1693 D1694 | E1693-G1696 CarbonylContact O-C 2.96Å; E1693-G1696 PolarHBondContact O-N 3.21Å; D1694-G1696 VanDerWaalsContact C-N 3.27Å; D1694-G1696 PolarHBondContact O-N 2.95Å |
| 1697 | V | 58.1 | Low | 54.7 | Low | 59 Ų | 59 | 112.2 Ų | 112.2 | 36% | 0.358 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -103.3 | -16.7 | -178.7 | 172.6 | 0 | 0 | 0 | 0 | 108.7 | E1693 D1694 E1699 R1700 N1701 | E1693-V1697 WeakPolarHBondContact O-CB 3.46Å; E1693-V1697 WeakPolarHBondContact O-CG2 3.48Å; E1693-V1697 PolarHBondContact O-N 3Å; D1694-V1697 CarbonylContact O-C 3.3Å; D1694-V1697 PolarHBondContact O-N 3.46Å; V1697-E1699 PolarHBondContact O-N 3.21Å; V1697-R1700 CarbonylContact O-C 3.11Å; V1697-R1700 PolarHBondContact O-N 3.33Å; V1697-N1701 HydrophobicContact CG1-CB 4.28Å; V1697-N1701 VanDerWaalsContact CG1-ND2 3.34Å; V1697-N1701 WeakPolarHBondContact CG1-ND2 3.42Å; V1697-N1701 WeakPolarHBondContact O-CB 3.47Å; V1697-N1701 PolarHBondContact O-N 2.7Å |
| 1698 | S | 48.5 | Very low | 54.1 | Low | 72 Ų | 72 | 113.6 Ų | 113.6 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74.5 | 0.5 | 168.2 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | D1694 C1702 | D1694-S1698 VanDerWaalsContact C-CB 3.44Å; D1694-S1698 WeakPolarHBondContact O-CA 3.28Å; D1694-S1698 WeakPolarHBondContact O-CB 3.43Å; D1694-S1698 PolarHBondContact O-N 2.81Å; S1698-C1702 WeakPolarHBondContact O-CB 3.42Å |
| 1699 | E | 47.1 | Very low | 53.5 | Low | 150 Ų | 150 | 112.4 Ų | 112.4 | 70% | 0.701 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -102.2 | -6.8 | 164.2 | -81.8 | 178.6 | 171.2 | 0 | 0 | 110.8 | V1697 | V1697-E1699 PolarHBondContact O-N 3.21Å |
| 1700 | R | 51.7 | Low | 53.1 | Low | 209 Ų | 209 | 115.7 Ų | 115.7 | 79% | 0.789 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -120.4 | 0 | 177.9 | -85.7 | -176.1 | -155.6 | 156.9 | -1.1 | 110.2 | V1697 | V1697-R1700 CarbonylContact O-C 3.11Å; V1697-R1700 PolarHBondContact O-N 3.33Å |
| 1701 | N | 54.2 | Low | 52.6 | Low | 90 Ų | 90 | 115.3 Ų | 115.3 | 48% | 0.481 | 59% | 0.585 | S | S | . | * | H | α-helix | 0 | 0 | 0 | -91.2 | -9.2 | 0 | 0 | 0 | 110.3 | V1697 R1703 N1704 L1705 | V1697-N1701 HydrophobicContact CG1-CB 4.28Å; V1697-N1701 VanDerWaalsContact CG1-ND2 3.34Å; V1697-N1701 WeakPolarHBondContact CG1-ND2 3.42Å; V1697-N1701 WeakPolarHBondContact O-CB 3.47Å; V1697-N1701 PolarHBondContact O-N 2.7Å; N1701-R1703 VanDerWaalsContact C-N 3.28Å; N1701-R1703 PolarHBondContact O-N 2.33Å; N1701-N1704 PolarHBondContact O-N 3.38Å; N1701-L1705 PolarHBondContact O-N 3.22Å | |
| 1702 | C | 49.5 | Very low | 52.6 | Low | 72 Ų | 72 | 112.2 Ų | 112.2 | 49% | 0.486 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | 0 | 13.1 | 0 | -161.5 | 0 | 0 | 0 | 0 | 110.9 | S1698 | S1698-C1702 WeakPolarHBondContact O-CB 3.42Š| |
| 1703 | R | 51 | Low | 52.4 | Low | 212 Ų | 212 | 109.8 Ų | 109.8 | 80% | 0.8 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | 3.4 | 172.1 | -89.6 | -177.4 | -165.7 | 155.9 | -1.1 | 109.7 | N1701 | N1701-R1703 VanDerWaalsContact C-N 3.28Å; N1701-R1703 PolarHBondContact O-N 2.33Å |
| 1704 | N | 50.9 | Low | 52.3 | Low | 128 Ų | 128 | 110.5 Ų | 110.5 | 68% | 0.684 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | -0.6 | 179 | -82 | -14.9 | 0 | 0 | 0 | 110 | N1701 | N1701-N1704 PolarHBondContact O-N 3.38Š|
| 1705 | L | 48.7 | Very low | 52.2 | Low | 103 Ų | 103 | 114.9 Ų | 114.9 | 54% | 0.539 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -120.4 | 0 | 175.3 | -84.7 | 162.9 | 0 | 0 | 0 | 109.8 | N1701 S1707 D1708 L1709 | N1701-L1705 PolarHBondContact O-N 3.22Å; L1705-S1707 PolarHBondContact O-N 3.08Å; L1705-D1708 HydrophobicContact CD2-CB 4.1Å; L1705-D1708 PolarHBondContact O-N 2.21Å; L1705-D1708 VanDerWaalsContact O-N 3.07Å; L1705-L1709 WeakPolarHBondContact O-CB 3.41Å; L1705-L1709 PolarHBondContact O-N 2.67Å; L1705-L1709 VanDerWaalsContact O-N 3.09Å |
| 1706 | K | 50.1 | Low | 52.5 | Low | 153 Ų | 153 | 114 Ų | 114 | 67% | 0.665 | 59% | 0.585 | S | S | * | * | G | 310 helix | 0 | 10.4 | 0 | -103.1 | -179 | 179.6 | 176 | 0 | 111.5 | |||
| 1707 | S | 55 | Low | 52.4 | Low | 84 Ų | 84 | 115.3 Ų | 115.3 | 59% | 0.587 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -136.3 | 0 | 177 | 168.6 | 0 | 0 | 0 | 0 | 109.8 | L1705 | L1705-S1707 PolarHBondContact O-N 3.08Š|
| 1708 | D | 49.6 | Very low | 52.3 | Low | 90 Ų | 90 | 117.8 Ų | 117.8 | 48% | 0.481 | 60% | 0.603 | S | S | . | * | H | α-helix | 0 | -1.8 | 0 | -75.4 | -14.6 | 0 | 0 | 0 | 110.4 | L1705 N1710 E1711 A1712 | L1705-D1708 HydrophobicContact CD2-CB 4.1Å; L1705-D1708 PolarHBondContact O-N 2.21Å; L1705-D1708 VanDerWaalsContact O-N 3.07Å; D1708-N1710 PolarHBondContact O-N 2.97Å; D1708-E1711 PolarHBondContact O-N 2.95Å; D1708-E1711 VanDerWaalsContact O-N 3.13Å; D1708-A1712 PolarHBondContact O-N 2.77Å | |
| 1709 | L | 51.6 | Low | 52.5 | Low | 103 Ų | 103 | 117 Ų | 117 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -77.5 | 4.8 | 167.3 | -174.2 | 76.6 | 0 | 0 | 0 | 111 | L1705 L1713 | L1705-L1709 WeakPolarHBondContact O-CB 3.41Å; L1705-L1709 PolarHBondContact O-N 2.67Å; L1705-L1709 VanDerWaalsContact O-N 3.09Å; L1709-L1713 VanDerWaalsContact C-CD1 3.47Å; L1709-L1713 HydrophobicContact CB-CD1 4.26Å; L1709-L1713 HydrophobicContact CD1-CD1 3.41Å; L1709-L1713 VanDerWaalsContact CD1-CD1 3.41Å; L1709-L1713 HydrophobicContact CD1-CG 4.42Å; L1709-L1713 HydrophobicContact CG-CD1 3.37Å; L1709-L1713 WeakPolarHBondContact O-CB 3.32Å; L1709-L1713 WeakPolarHBondContact O-CD1 3.25Å; L1709-L1713 WeakPolarHBondContact O-CG 3.41Å |
| 1710 | N | 55.2 | Low | 52.9 | Low | 123 Ų | 123 | 113.3 Ų | 113.3 | 66% | 0.658 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -123.3 | 6.3 | 166.1 | -92.6 | -15.4 | 0 | 0 | 0 | 110.3 | D1708 | D1708-N1710 PolarHBondContact O-N 2.97Å |
| 1711 | E | 54.4 | Low | 53 | Low | 147 Ų | 147 | 108.4 Ų | 108.4 | 69% | 0.687 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -129.8 | 0 | 178.8 | -101 | 178.1 | -175.7 | 0 | 0 | 109.7 | D1708 | D1708-E1711 PolarHBondContact O-N 2.95Å; D1708-E1711 VanDerWaalsContact O-N 3.13Å |
| 1712 | A | 52.6 | Low | 53 | Low | 52 Ų | 52 | 106.9 Ų | 106.9 | 43% | 0.43 | 58% | 0.575 | S | S | . | * | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | D1708 E1714 E1715 L1716 | D1708-A1712 PolarHBondContact O-N 2.77Å; A1712-E1714 PolarHBondContact O-N 3.34Å; A1712-E1715 PolarHBondContact O-N 2.74Å; A1712-L1716 WeakPolarHBondContact O-CA 3.26Å; A1712-L1716 WeakPolarHBondContact O-CB 3.23Å; A1712-L1716 PolarHBondContact O-N 3.19Å | |
| 1713 | L | 53.1 | Low | 53.2 | Low | 95 Ų | 95 | 109.6 Ų | 109.6 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -100.5 | 155 | 0 | 0 | 0 | 110.9 | L1709 S1717 | L1709-L1713 VanDerWaalsContact C-CD1 3.47Å; L1709-L1713 HydrophobicContact CB-CD1 4.26Å; L1709-L1713 HydrophobicContact CD1-CD1 3.41Å; L1709-L1713 VanDerWaalsContact CD1-CD1 3.41Å; L1709-L1713 HydrophobicContact CD1-CG 4.42Å; L1709-L1713 HydrophobicContact CG-CD1 3.37Å; L1709-L1713 WeakPolarHBondContact O-CB 3.32Å; L1709-L1713 WeakPolarHBondContact O-CD1 3.25Å; L1709-L1713 WeakPolarHBondContact O-CG 3.41Å; L1713-S1717 WeakPolarHBondContact O-CB 2.87Å | |
| 1714 | E | 57.3 | Low | 53.4 | Low | 150 Ų | 150 | 102 Ų | 102 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -102.2 | -178.6 | -179.7 | 0 | 0 | 109.8 | A1712 | A1712-E1714 PolarHBondContact O-N 3.34Š| |
| 1715 | E | 52 | Low | 53.8 | Low | 158 Ų | 158 | 100.3 Ų | 100.3 | 74% | 0.738 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -85.1 | -177.9 | -177.2 | 0 | 0 | 109.9 | A1712 | A1712-E1715 PolarHBondContact O-N 2.74Š| |
| 1716 | L | 51.9 | Low | 54.3 | Low | 106 Ų | 106 | 97.3 Ų | 97.3 | 56% | 0.555 | 54% | 0.536 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -141.6 | 112.9 | 0 | 0 | 0 | 109.5 | A1712 N1720 | A1712-L1716 WeakPolarHBondContact O-CA 3.26Å; A1712-L1716 WeakPolarHBondContact O-CB 3.23Å; A1712-L1716 PolarHBondContact O-N 3.19Å; L1716-N1720 WeakPolarHBondContact O-CA 3.47Å; L1716-N1720 WeakPolarHBondContact O-CB 3.43Å; L1716-N1720 PolarHBondContact O-N 2.76Å; L1716-N1720 VanDerWaalsContact O-N 3.09Å | |
| 1717 | S | 57 | Low | 54.8 | Low | 65 Ų | 65 | 93.4 Ų | 93.4 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | 0 | 10.6 | 0 | 104.8 | 0 | 0 | 0 | 0 | 110.1 | L1713 | L1713-S1717 WeakPolarHBondContact O-CB 2.87Å | |
| 1718 | V | 56.3 | Low | 55.1 | Low | 112 Ų | 112 | 95.2 Ų | 95.2 | 68% | 0.679 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -132.7 | 5 | 172.6 | 174.3 | 0 | 0 | 0 | 0 | 108.3 | ||
| 1719 | A | 53.3 | Low | 55.7 | Low | 54 Ų | 54 | 95.6 Ų | 95.6 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -123.6 | 0 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | A1722 K1723 | A1719-A1722 CarbonylContact O-C 3.59Å; A1719-A1722 PolarHBondContact O-N 3.4Å; A1719-K1723 WeakPolarHBondContact O-CA 3.47Å; A1719-K1723 WeakPolarHBondContact O-CB 3.35Å; A1719-K1723 PolarHBondContact O-N 3.49Å |
| 1720 | N | 55.4 | Low | 56.3 | Low | 73 Ų | 73 | 96.1 Ų | 96.1 | 39% | 0.39 | 52% | 0.518 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -131.2 | 5.4 | 0 | 0 | 0 | 110.2 | L1716 T1724 | L1716-N1720 WeakPolarHBondContact O-CA 3.47Å; L1716-N1720 WeakPolarHBondContact O-CB 3.43Å; L1716-N1720 PolarHBondContact O-N 2.76Å; L1716-N1720 VanDerWaalsContact O-N 3.09Å; N1720-T1724 WeakPolarHBondContact CA-OG1 3.43Å; N1720-T1724 VanDerWaalsContact O-CA 3.24Å; N1720-T1724 WeakPolarHBondContact O-CA 3.26Å; N1720-T1724 WeakPolarHBondContact O-CB 3.24Å; N1720-T1724 PolarHBondContact O-N 2.35Å; N1720-T1724 CovalentContact O-OG1 1.31Å; N1720-T1724 PolarHBondContact O-OG1 3.27Å | |
| 1721 | N | 54 | Low | 56.9 | Low | 107 Ų | 107 | 97 Ų | 97 | 57% | 0.572 | 52% | 0.516 | S | S | * | . | H | α-helix | 0 | -4.7 | 0 | -87.1 | -13.3 | 0 | 0 | 0 | 110.5 | L1725 | N1721-L1725 HydrophobicContact CB-CD1 4.4Å; N1721-L1725 WeakPolarHBondContact O-CA 3.5Å; N1721-L1725 WeakPolarHBondContact O-CB 3.19Å; N1721-L1725 WeakPolarHBondContact O-CD1 3.34Å; N1721-L1725 WeakPolarHBondContact O-CG 3.24Å; N1721-L1725 PolarHBondContact O-N 2.81Å | |
| 1722 | A | 53.6 | Low | 57.7 | Low | 58 Ų | 58 | 98.4 Ų | 98.4 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -111.2 | 0 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | A1719 L1725 A1726 | A1719-A1722 CarbonylContact O-C 3.59Å; A1719-A1722 PolarHBondContact O-N 3.4Å; A1722-L1725 CarbonylContact O-C 3.49Å; A1722-A1726 WeakPolarHBondContact O-CA 3.47Å; A1722-A1726 WeakPolarHBondContact O-CB 2.97Å; A1722-A1726 PolarHBondContact O-N 3.24Å |
| 1723 | K | 53.4 | Low | 58.4 | Low | 129 Ų | 129 | 100.2 Ų | 100.2 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | 0 | -18.1 | 0 | -158.4 | 179.6 | 176.2 | -180 | 0 | 109.8 | A1719 A1726 L1727 | A1719-K1723 WeakPolarHBondContact O-CA 3.47Å; A1719-K1723 WeakPolarHBondContact O-CB 3.35Å; A1719-K1723 PolarHBondContact O-N 3.49Å; K1723-A1726 CarbonylContact O-C 3.22Å; K1723-A1726 PolarHBondContact O-N 3.24Å; K1723-L1727 HydrophobicContact CB-CD1 4.47Å; K1723-L1727 HydrophobicContact CD-CD1 4.16Å; K1723-L1727 HydrophobicContact CG-CD1 3.52Å; K1723-L1727 WeakPolarHBondContact O-CA 3.16Å; K1723-L1727 WeakPolarHBondContact O-CB 3.25Å; K1723-L1727 VanDerWaalsContact O-CD1 3.31Å; K1723-L1727 WeakPolarHBondContact O-CD1 3.48Å; K1723-L1727 VanDerWaalsContact O-CG 3.29Å; K1723-L1727 WeakPolarHBondContact O-CG 3.24Å; K1723-L1727 PolarHBondContact O-N 3.4Å | |
| 1724 | T | 56.6 | Low | 59.1 | Low | 53 Ų | 53 | 99.9 Ų | 99.9 | 33% | 0.325 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -96.8 | -15.3 | 169.3 | -7.4 | 0 | 0 | 0 | 0 | 109.7 | N1720 E1728 | N1720-T1724 WeakPolarHBondContact CA-OG1 3.43Å; N1720-T1724 VanDerWaalsContact O-CA 3.24Å; N1720-T1724 WeakPolarHBondContact O-CA 3.26Å; N1720-T1724 WeakPolarHBondContact O-CB 3.24Å; N1720-T1724 PolarHBondContact O-N 2.35Å; N1720-T1724 CovalentContact O-OG1 1.31Å; N1720-T1724 PolarHBondContact O-OG1 3.27Å; T1724-E1728 VanDerWaalsContact C-CB 3.5Å; T1724-E1728 VanDerWaalsContact C-N 3.31Å; T1724-E1728 WeakPolarHBondContact O-CA 3.24Å; T1724-E1728 WeakPolarHBondContact O-CB 3.3Å; T1724-E1728 WeakPolarHBondContact O-CG 3.2Å; T1724-E1728 PolarHBondContact O-N 3.3Å |
| 1725 | L | 58.3 | Low | 59.9 | Low | 91 Ų | 91 | 95.4 Ų | 95.4 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -93.4 | -20.5 | 164.7 | -106.1 | 140.5 | 0 | 0 | 0 | 110.4 | N1721 A1722 E1728 E1729 | N1721-L1725 HydrophobicContact CB-CD1 4.4Å; N1721-L1725 WeakPolarHBondContact O-CA 3.5Å; N1721-L1725 WeakPolarHBondContact O-CB 3.19Å; N1721-L1725 WeakPolarHBondContact O-CD1 3.34Å; N1721-L1725 WeakPolarHBondContact O-CG 3.24Å; N1721-L1725 PolarHBondContact O-N 2.81Å; A1722-L1725 CarbonylContact O-C 3.49Å; L1725-E1728 CarbonylContact O-C 3.51Å; L1725-E1729 WeakPolarHBondContact O-CA 3.47Å; L1725-E1729 WeakPolarHBondContact O-CB 2.96Å; L1725-E1729 WeakPolarHBondContact O-CG 3.06Å; L1725-E1729 PolarHBondContact O-N 3.13Å |
| 1726 | A | 59.9 | Low | 60.8 | Low | 41 Ų | 41 | 95.3 Ų | 95.3 | 34% | 0.339 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -94 | 0 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A1722 K1723 E1729 K1730 | A1722-A1726 WeakPolarHBondContact O-CA 3.47Å; A1722-A1726 WeakPolarHBondContact O-CB 2.97Å; A1722-A1726 PolarHBondContact O-N 3.24Å; K1723-A1726 CarbonylContact O-C 3.22Å; K1723-A1726 PolarHBondContact O-N 3.24Å; A1726-E1729 VanDerWaalsContact CA-CB 3.47Å; A1726-E1729 CarbonylContact O-C 3.55Å; A1726-E1729 PolarHBondContact O-N 2.6Å; A1726-K1730 VanDerWaalsContact C-CB 3.46Å; A1726-K1730 WeakPolarHBondContact O-CA 3.15Å; A1726-K1730 WeakPolarHBondContact O-CB 3.43Å; A1726-K1730 PolarHBondContact O-N 2.82Å |
| 1727 | L | 59.9 | Low | 61.7 | Low | 71 Ų | 71 | 94 Ų | 94 | 37% | 0.372 | 49% | 0.487 | S | S | . | . | H | α-helix | 0 | -30 | 0 | -113.5 | 137.2 | 0 | 0 | 0 | 109.1 | K1723 E1729 K1730 K1731 | K1723-L1727 HydrophobicContact CB-CD1 4.47Å; K1723-L1727 HydrophobicContact CD-CD1 4.16Å; K1723-L1727 HydrophobicContact CG-CD1 3.52Å; K1723-L1727 WeakPolarHBondContact O-CA 3.16Å; K1723-L1727 WeakPolarHBondContact O-CB 3.25Å; K1723-L1727 VanDerWaalsContact O-CD1 3.31Å; K1723-L1727 WeakPolarHBondContact O-CD1 3.48Å; K1723-L1727 VanDerWaalsContact O-CG 3.29Å; K1723-L1727 WeakPolarHBondContact O-CG 3.24Å; K1723-L1727 PolarHBondContact O-N 3.4Å; L1727-E1729 VanDerWaalsContact C-N 3.33Å; L1727-K1730 CarbonylContact O-C 3.57Å; L1727-K1730 PolarHBondContact O-N 3.34Å; L1727-K1731 VanDerWaalsContact C-N 3.25Å; L1727-K1731 WeakPolarHBondContact O-CA 3.48Å; L1727-K1731 WeakPolarHBondContact O-CB 3.47Å; L1727-K1731 VanDerWaalsContact O-CG 3.25Å; L1727-K1731 WeakPolarHBondContact O-CG 3.41Å; L1727-K1731 PolarHBondContact O-N 3.36Å | |
| 1728 | E | 62.3 | Low | 62.6 | Low | 122 Ų | 122 | 94 Ų | 94 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -78.6 | -25.3 | 165.3 | -90.1 | 177.7 | 178.9 | 0 | 0 | 111.5 | T1724 L1725 K1731 R1732 | T1724-E1728 VanDerWaalsContact C-CB 3.5Å; T1724-E1728 VanDerWaalsContact C-N 3.31Å; T1724-E1728 WeakPolarHBondContact O-CA 3.24Å; T1724-E1728 WeakPolarHBondContact O-CB 3.3Å; T1724-E1728 WeakPolarHBondContact O-CG 3.2Å; T1724-E1728 PolarHBondContact O-N 3.3Å; L1725-E1728 CarbonylContact O-C 3.51Å; E1728-K1731 CarbonylContact O-C 3.47Å; E1728-R1732 VanDerWaalsContact C-CB 3.43Å; E1728-R1732 WeakPolarHBondContact O-CA 3.02Å; E1728-R1732 WeakPolarHBondContact O-CB 3.4Å; E1728-R1732 PolarHBondContact O-N 3.4Å |
| 1729 | E | 62.5 | Low | 63.3 | Low | 98 Ų | 98 | 90.7 Ų | 90.7 | 46% | 0.458 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -84 | 0 | 169.7 | -114.6 | 179.9 | 173.4 | 0 | 0 | 110.1 | L1725 A1726 L1727 R1732 L1733 | L1725-E1729 WeakPolarHBondContact O-CA 3.47Å; L1725-E1729 WeakPolarHBondContact O-CB 2.96Å; L1725-E1729 WeakPolarHBondContact O-CG 3.06Å; L1725-E1729 PolarHBondContact O-N 3.13Å; A1726-E1729 VanDerWaalsContact CA-CB 3.47Å; A1726-E1729 CarbonylContact O-C 3.55Å; A1726-E1729 PolarHBondContact O-N 2.6Å; L1727-E1729 VanDerWaalsContact C-N 3.33Å; E1729-R1732 CarbonylContact O-C 3.4Å; E1729-R1732 PolarHBondContact O-N 3.14Å; E1729-L1733 VanDerWaalsContact C-CG 3.48Å; E1729-L1733 HydrophobicContact CB-CD1 4.25Å; E1729-L1733 HydrophobicContact CB-CG 4.44Å; E1729-L1733 WeakPolarHBondContact O-CA 3.44Å; E1729-L1733 WeakPolarHBondContact O-CB 3.41Å; E1729-L1733 WeakPolarHBondContact O-CD1 2.94Å; E1729-L1733 WeakPolarHBondContact O-CG 3.42Å; E1729-L1733 PolarHBondContact O-N 2.8Å |
| 1730 | K | 64.4 | Low | 64.2 | Low | 113 Ų | 113 | 91.8 Ų | 91.8 | 49% | 0.491 | 47% | 0.467 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -174.2 | -176.9 | 172.2 | -176.4 | 0 | 109.3 | A1726 L1727 R1732 L1733 E1734 | A1726-K1730 VanDerWaalsContact C-CB 3.46Å; A1726-K1730 WeakPolarHBondContact O-CA 3.15Å; A1726-K1730 WeakPolarHBondContact O-CB 3.43Å; A1726-K1730 PolarHBondContact O-N 2.82Å; L1727-K1730 CarbonylContact O-C 3.57Å; L1727-K1730 PolarHBondContact O-N 3.34Å; K1730-R1732 VanDerWaalsContact C-N 3.31Å; K1730-L1733 CarbonylContact O-C 3.11Å; K1730-L1733 VanDerWaalsContact O-C 3.24Å; K1730-L1733 PolarHBondContact O-N 3.35Å; K1730-E1734 WeakPolarHBondContact CE-OE1 3.19Å; K1730-E1734 HydrophobicContact CG-CG 3.85Å; K1730-E1734 IonicContact NZ-OE1 2.78Å; K1730-E1734 WeakPolarHBondContact O-CA 3.22Å; K1730-E1734 WeakPolarHBondContact O-CB 3.42Å; K1730-E1734 WeakPolarHBondContact O-CG 3.47Å; K1730-E1734 PolarHBondContact O-N 3.28Å | |
| 1731 | K | 67.4 | Low | 65.1 | Low | 142 Ų | 142 | 93.2 Ų | 93.2 | 62% | 0.617 | 47% | 0.471 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -95.7 | -175.5 | -179.1 | 178.3 | 0 | 110.2 | L1727 E1728 E1734 A1735 | L1727-K1731 VanDerWaalsContact C-N 3.25Å; L1727-K1731 WeakPolarHBondContact O-CA 3.48Å; L1727-K1731 WeakPolarHBondContact O-CB 3.47Å; L1727-K1731 VanDerWaalsContact O-CG 3.25Å; L1727-K1731 WeakPolarHBondContact O-CG 3.41Å; L1727-K1731 PolarHBondContact O-N 3.36Å; E1728-K1731 CarbonylContact O-C 3.47Å; K1731-E1734 CarbonylContact O-C 2.26Å; K1731-E1734 PolarHBondContact O-N 3.07Å; K1731-A1735 VanDerWaalsContact C-N 3.35Å; K1731-A1735 WeakPolarHBondContact O-CA 3.42Å; K1731-A1735 WeakPolarHBondContact O-CB 3.1Å; K1731-A1735 PolarHBondContact O-N 3.47Å | |
| 1732 | R | 69.7 | Low | 65.9 | Low | 176 Ų | 176 | 92.4 Ų | 92.4 | 66% | 0.664 | 47% | 0.467 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -138.6 | -179.5 | 171.9 | 170.2 | -0.6 | 111.2 | E1728 E1729 K1730 A1735 R1736 | E1728-R1732 VanDerWaalsContact C-CB 3.43Å; E1728-R1732 WeakPolarHBondContact O-CA 3.02Å; E1728-R1732 WeakPolarHBondContact O-CB 3.4Å; E1728-R1732 PolarHBondContact O-N 3.4Å; E1729-R1732 CarbonylContact O-C 3.4Å; E1729-R1732 PolarHBondContact O-N 3.14Å; K1730-R1732 VanDerWaalsContact C-N 3.31Å; R1732-A1735 CarbonylContact O-C 3.51Å; R1732-R1736 WeakPolarHBondContact O-CA 3.45Å; R1732-R1736 WeakPolarHBondContact O-CB 3.29Å; R1732-R1736 PolarHBondContact O-N 2.8Å | |
| 1733 | L | 68.1 | Low | 66.8 | Low | 90 Ų | 90 | 94.3 Ų | 94.3 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -78.1 | 169.3 | 0 | 0 | 0 | 109.3 | E1729 K1730 R1736 I1737 | E1729-L1733 VanDerWaalsContact C-CG 3.48Å; E1729-L1733 HydrophobicContact CB-CD1 4.25Å; E1729-L1733 HydrophobicContact CB-CG 4.44Å; E1729-L1733 WeakPolarHBondContact O-CA 3.44Å; E1729-L1733 WeakPolarHBondContact O-CB 3.41Å; E1729-L1733 WeakPolarHBondContact O-CD1 2.94Å; E1729-L1733 WeakPolarHBondContact O-CG 3.42Å; E1729-L1733 PolarHBondContact O-N 2.8Å; K1730-L1733 CarbonylContact O-C 3.11Å; K1730-L1733 VanDerWaalsContact O-C 3.24Å; K1730-L1733 PolarHBondContact O-N 3.35Å; L1733-R1736 CarbonylContact O-C 3.32Å; L1733-R1736 WeakPolarHBondContact O-CA 3.48Å; L1733-R1736 WeakPolarHBondContact O-CB 2.71Å; L1733-R1736 PolarHBondContact O-N 3.44Å; L1733-I1737 WeakPolarHBondContact O-CA 3.46Å; L1733-I1737 WeakPolarHBondContact O-CB 3.28Å; L1733-I1737 WeakPolarHBondContact O-CG1 3.35Å; L1733-I1737 PolarHBondContact O-N 3.43Å | |
| 1734 | E | 68.8 | Low | 67.5 | Low | 89 Ų | 89 | 92.5 Ų | 92.5 | 42% | 0.416 | 46% | 0.462 | S | S | . | . | H | α-helix | 0 | -38.8 | 0 | -81.8 | 178.1 | 172.7 | 0 | 0 | 109.3 | K1730 K1731 R1736 I1737 T1738 | K1730-E1734 WeakPolarHBondContact CE-OE1 3.19Å; K1730-E1734 HydrophobicContact CG-CG 3.85Å; K1730-E1734 IonicContact NZ-OE1 2.78Å; K1730-E1734 WeakPolarHBondContact O-CA 3.22Å; K1730-E1734 WeakPolarHBondContact O-CB 3.42Å; K1730-E1734 WeakPolarHBondContact O-CG 3.47Å; K1730-E1734 PolarHBondContact O-N 3.28Å; K1731-E1734 CarbonylContact O-C 2.26Å; K1731-E1734 PolarHBondContact O-N 3.07Å; E1734-R1736 VanDerWaalsContact C-N 3.29Å; E1734-I1737 CarbonylContact O-C 2.83Å; E1734-I1737 PolarHBondContact O-N 3.49Å; E1734-T1738 WeakPolarHBondContact O-CA 3.49Å; E1734-T1738 WeakPolarHBondContact O-CB 3.24Å; E1734-T1738 PolarHBondContact O-N 2.75Å; E1734-T1738 PolarHBondContact O-OG1 3.35Å | |
| 1735 | A | 72.6 | Confident | 68.3 | Low | 56 Ų | 56 | 95.9 Ų | 95.9 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.9 | 0 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1731 R1732 T1738 A1739 | K1731-A1735 VanDerWaalsContact C-N 3.35Å; K1731-A1735 WeakPolarHBondContact O-CA 3.42Å; K1731-A1735 WeakPolarHBondContact O-CB 3.1Å; K1731-A1735 PolarHBondContact O-N 3.47Å; R1732-A1735 CarbonylContact O-C 3.51Å; A1735-T1738 WeakPolarHBondContact CA-OG1 3.16Å; A1735-T1738 PolarHBondContact N-OG1 3.22Å; A1735-T1738 CarbonylContact O-C 3.33Å; A1735-T1738 PolarHBondContact O-N 2.91Å; A1735-A1739 WeakPolarHBondContact O-CA 3.18Å; A1735-A1739 WeakPolarHBondContact O-CB 3.4Å; A1735-A1739 PolarHBondContact O-N 3.37Å |
| 1736 | R | 71 | Confident | 68.9 | Low | 155 Ų | 155 | 97.9 Ų | 97.9 | 59% | 0.585 | 48% | 0.481 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -156.8 | 138 | 167.8 | 175 | -0.6 | 110.2 | R1732 L1733 E1734 A1739 L1740 | R1732-R1736 WeakPolarHBondContact O-CA 3.45Å; R1732-R1736 WeakPolarHBondContact O-CB 3.29Å; R1732-R1736 PolarHBondContact O-N 2.8Å; L1733-R1736 CarbonylContact O-C 3.32Å; L1733-R1736 WeakPolarHBondContact O-CA 3.48Å; L1733-R1736 WeakPolarHBondContact O-CB 2.71Å; L1733-R1736 PolarHBondContact O-N 3.44Å; E1734-R1736 VanDerWaalsContact C-N 3.29Å; R1736-A1739 CarbonylContact O-C 3.25Å; R1736-A1739 VanDerWaalsContact O-C 3.31Å; R1736-A1739 PolarHBondContact O-N 3.04Å; R1736-L1740 HydrophobicContact CB-CD1 4.43Å; R1736-L1740 HydrophobicContact CG-CD1 3.79Å; R1736-L1740 HydrophobicContact CG-CG 3.96Å; R1736-L1740 WeakPolarHBondContact O-CA 3.41Å; R1736-L1740 WeakPolarHBondContact O-CB 3.38Å; R1736-L1740 WeakPolarHBondContact O-CD1 3.44Å; R1736-L1740 WeakPolarHBondContact O-CG 3.5Å; R1736-L1740 PolarHBondContact O-N 3.22Å | |
| 1737 | I | 71.7 | Confident | 69.4 | Low | 79 Ų | 79 | 100.6 Ų | 100.6 | 41% | 0.405 | 49% | 0.489 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -74.2 | 175.6 | 0 | 0 | 0 | 108.3 | L1733 E1734 L1740 E1741 | L1733-I1737 WeakPolarHBondContact O-CA 3.46Å; L1733-I1737 WeakPolarHBondContact O-CB 3.28Å; L1733-I1737 WeakPolarHBondContact O-CG1 3.35Å; L1733-I1737 PolarHBondContact O-N 3.43Å; E1734-I1737 CarbonylContact O-C 2.83Å; E1734-I1737 PolarHBondContact O-N 3.49Å; I1737-L1740 CarbonylContact O-C 1.58Å; I1737-L1740 VanDerWaalsContact O-C 3.26Å; I1737-L1740 PolarHBondContact O-N 2.75Å; I1737-E1741 VanDerWaalsContact CG2-CD 3.4Å; I1737-E1741 HydrophobicContact CG2-CG 3.63Å; I1737-E1741 VanDerWaalsContact CG2-OE1 3.31Å; I1737-E1741 WeakPolarHBondContact CG2-OE1 3.34Å; I1737-E1741 WeakPolarHBondContact O-CA 3.38Å; I1737-E1741 WeakPolarHBondContact O-CB 3.43Å; I1737-E1741 WeakPolarHBondContact O-CG 3.39Å; I1737-E1741 PolarHBondContact O-N 2.87Å | |
| 1738 | T | 75.3 | Confident | 70 | Confident | 65 Ų | 65 | 101.8 Ų | 101.8 | 40% | 0.399 | 49% | 0.492 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -1.7 | 0 | 0 | 0 | 0 | 109.4 | E1734 A1735 E1741 D1742 | E1734-T1738 WeakPolarHBondContact O-CA 3.49Å; E1734-T1738 WeakPolarHBondContact O-CB 3.24Å; E1734-T1738 PolarHBondContact O-N 2.75Å; E1734-T1738 PolarHBondContact O-OG1 3.35Å; A1735-T1738 WeakPolarHBondContact CA-OG1 3.16Å; A1735-T1738 PolarHBondContact N-OG1 3.22Å; A1735-T1738 CarbonylContact O-C 3.33Å; A1735-T1738 PolarHBondContact O-N 2.91Å; T1738-E1741 CarbonylContact O-C 3.11Å; T1738-E1741 PolarHBondContact O-N 3.4Å; T1738-D1742 WeakPolarHBondContact O-CA 2.21Å; T1738-D1742 WeakPolarHBondContact O-CB 3.26Å; T1738-D1742 PolarHBondContact O-N 2.75Å | |
| 1739 | A | 72 | Confident | 70.5 | Confident | 42 Ų | 42 | 99.5 Ų | 99.5 | 35% | 0.347 | 49% | 0.49 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1735 R1736 E1741 D1742 Q1743 | A1735-A1739 WeakPolarHBondContact O-CA 3.18Å; A1735-A1739 WeakPolarHBondContact O-CB 3.4Å; A1735-A1739 PolarHBondContact O-N 3.37Å; R1736-A1739 CarbonylContact O-C 3.25Å; R1736-A1739 VanDerWaalsContact O-C 3.31Å; R1736-A1739 PolarHBondContact O-N 3.04Å; A1739-E1741 VanDerWaalsContact C-N 3.33Å; A1739-D1742 CarbonylContact O-C 3.52Å; A1739-D1742 PolarHBondContact O-N 3.36Å; A1739-Q1743 WeakPolarHBondContact O-CA 3.46Å; A1739-Q1743 WeakPolarHBondContact O-CB 3.46Å; A1739-Q1743 WeakPolarHBondContact O-CG 3.18Å; A1739-Q1743 PolarHBondContact O-N 3.45Å | |
| 1740 | L | 71.5 | Confident | 70.8 | Confident | 77 Ų | 77 | 96.9 Ų | 96.9 | 40% | 0.403 | 49% | 0.485 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -78.6 | 170.4 | 0 | 0 | 0 | 109.7 | R1736 I1737 Q1743 L1744 | R1736-L1740 HydrophobicContact CB-CD1 4.43Å; R1736-L1740 HydrophobicContact CG-CD1 3.79Å; R1736-L1740 HydrophobicContact CG-CG 3.96Å; R1736-L1740 WeakPolarHBondContact O-CA 3.41Å; R1736-L1740 WeakPolarHBondContact O-CB 3.38Å; R1736-L1740 WeakPolarHBondContact O-CD1 3.44Å; R1736-L1740 WeakPolarHBondContact O-CG 3.5Å; R1736-L1740 PolarHBondContact O-N 3.22Å; I1737-L1740 CarbonylContact O-C 1.58Å; I1737-L1740 VanDerWaalsContact O-C 3.26Å; I1737-L1740 PolarHBondContact O-N 2.75Å; L1740-Q1743 CarbonylContact O-C 3.51Å; L1740-Q1743 WeakPolarHBondContact O-CA 3.32Å; L1740-Q1743 PolarHBondContact O-N 3.45Å; L1740-L1744 WeakPolarHBondContact O-CA 3.04Å; L1740-L1744 WeakPolarHBondContact O-CB 2.05Å; L1740-L1744 PolarHBondContact O-N 2.77Å | |
| 1741 | E | 73.2 | Confident | 71.1 | Confident | 103 Ų | 103 | 95.7 Ų | 95.7 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -79 | 176 | 167.7 | 0 | 0 | 109.5 | I1737 T1738 A1739 Q1743 L1744 E1745 | I1737-E1741 VanDerWaalsContact CG2-CD 3.4Å; I1737-E1741 HydrophobicContact CG2-CG 3.63Å; I1737-E1741 VanDerWaalsContact CG2-OE1 3.31Å; I1737-E1741 WeakPolarHBondContact CG2-OE1 3.34Å; I1737-E1741 WeakPolarHBondContact O-CA 3.38Å; I1737-E1741 WeakPolarHBondContact O-CB 3.43Å; I1737-E1741 WeakPolarHBondContact O-CG 3.39Å; I1737-E1741 PolarHBondContact O-N 2.87Å; T1738-E1741 CarbonylContact O-C 3.11Å; T1738-E1741 PolarHBondContact O-N 3.4Å; A1739-E1741 VanDerWaalsContact C-N 3.33Å; E1741-Q1743 VanDerWaalsContact C-N 3.3Å; E1741-L1744 CarbonylContact O-C 3.43Å; E1741-L1744 PolarHBondContact O-N 2.69Å; E1741-E1745 VanDerWaalsContact C-N 3.32Å; E1741-E1745 WeakPolarHBondContact O-CA 3.09Å; E1741-E1745 WeakPolarHBondContact O-CB 3.04Å; E1741-E1745 PolarHBondContact O-N 3.37Å | |
| 1742 | D | 72.8 | Confident | 71.3 | Confident | 91 Ų | 91 | 91.8 Ų | 91.8 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -81.5 | -10.7 | 0 | 0 | 0 | 111 | T1738 A1739 E1745 E1746 | T1738-D1742 WeakPolarHBondContact O-CA 2.21Å; T1738-D1742 WeakPolarHBondContact O-CB 3.26Å; T1738-D1742 PolarHBondContact O-N 2.75Å; A1739-D1742 CarbonylContact O-C 3.52Å; A1739-D1742 PolarHBondContact O-N 3.36Å; D1742-E1745 CarbonylContact O-C 3.45Å; D1742-E1745 PolarHBondContact O-N 3.44Å; D1742-E1746 WeakPolarHBondContact O-CA 2.66Å; D1742-E1746 WeakPolarHBondContact O-CB 3.43Å; D1742-E1746 PolarHBondContact O-N 2.82Å | |
| 1743 | Q | 70.6 | Confident | 71.3 | Confident | 98 Ų | 98 | 85.3 Ų | 85.3 | 46% | 0.458 | 45% | 0.452 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -79.2 | -176.7 | -14 | 0 | 0 | 110.1 | A1739 L1740 E1741 E1746 I1747 | A1739-Q1743 WeakPolarHBondContact O-CA 3.46Å; A1739-Q1743 WeakPolarHBondContact O-CB 3.46Å; A1739-Q1743 WeakPolarHBondContact O-CG 3.18Å; A1739-Q1743 PolarHBondContact O-N 3.45Å; L1740-Q1743 CarbonylContact O-C 3.51Å; L1740-Q1743 WeakPolarHBondContact O-CA 3.32Å; L1740-Q1743 PolarHBondContact O-N 3.45Å; E1741-Q1743 VanDerWaalsContact C-N 3.3Å; Q1743-E1746 CarbonylContact O-C 3.19Å; Q1743-E1746 PolarHBondContact O-N 2.82Å; Q1743-I1747 VanDerWaalsContact C-N 3.33Å; Q1743-I1747 HydrophobicContact CB-CD1 4.38Å; Q1743-I1747 WeakPolarHBondContact O-CA 3.36Å; Q1743-I1747 WeakPolarHBondContact O-CB 3.38Å; Q1743-I1747 VanDerWaalsContact O-CD1 3.26Å; Q1743-I1747 WeakPolarHBondContact O-CD1 3.29Å; Q1743-I1747 WeakPolarHBondContact O-CG1 3.27Å; Q1743-I1747 PolarHBondContact O-N 2.88Å | |
| 1744 | L | 70 | Confident | 71.1 | Confident | 90 Ų | 90 | 83.8 Ų | 83.8 | 47% | 0.471 | 45% | 0.447 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -130.2 | 140.2 | 0 | 0 | 0 | 109.3 | L1740 E1741 E1746 I1747 Q1748 | L1740-L1744 WeakPolarHBondContact O-CA 3.04Å; L1740-L1744 WeakPolarHBondContact O-CB 2.05Å; L1740-L1744 PolarHBondContact O-N 2.77Å; E1741-L1744 CarbonylContact O-C 3.43Å; E1741-L1744 PolarHBondContact O-N 2.69Å; L1744-E1746 VanDerWaalsContact C-N 3.33Å; L1744-I1747 CarbonylContact O-C 2.73Å; L1744-I1747 VanDerWaalsContact O-C 3.27Å; L1744-I1747 PolarHBondContact O-N 3.32Å; L1744-Q1748 WeakPolarHBondContact O-CA 3.01Å; L1744-Q1748 WeakPolarHBondContact O-CB 3.26Å; L1744-Q1748 PolarHBondContact O-N 3.37Å | |
| 1745 | E | 73.5 | Confident | 71.2 | Confident | 124 Ų | 124 | 83.9 Ų | 83.9 | 58% | 0.579 | 45% | 0.447 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -112.9 | 176 | -175.7 | 0 | 0 | 110.1 | E1741 D1742 Q1748 S1749 | E1741-E1745 VanDerWaalsContact C-N 3.32Å; E1741-E1745 WeakPolarHBondContact O-CA 3.09Å; E1741-E1745 WeakPolarHBondContact O-CB 3.04Å; E1741-E1745 PolarHBondContact O-N 3.37Å; D1742-E1745 CarbonylContact O-C 3.45Å; D1742-E1745 PolarHBondContact O-N 3.44Å; E1745-Q1748 CarbonylContact O-C 3.25Å; E1745-Q1748 PolarHBondContact O-N 2.89Å; E1745-S1749 WeakPolarHBondContact O-CA 3.29Å; E1745-S1749 WeakPolarHBondContact O-CB 3.31Å; E1745-S1749 PolarHBondContact O-N 2.81Å | |
| 1746 | E | 70.4 | Confident | 71 | Confident | 133 Ų | 133 | 86.1 Ų | 86.1 | 62% | 0.621 | 45% | 0.448 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -124.1 | 177.5 | -178.8 | 0 | 0 | 110.7 | D1742 Q1743 L1744 S1749 A1750 | D1742-E1746 WeakPolarHBondContact O-CA 2.66Å; D1742-E1746 WeakPolarHBondContact O-CB 3.43Å; D1742-E1746 PolarHBondContact O-N 2.82Å; Q1743-E1746 CarbonylContact O-C 3.19Å; Q1743-E1746 PolarHBondContact O-N 2.82Å; L1744-E1746 VanDerWaalsContact C-N 3.33Å; E1746-S1749 CarbonylContact O-C 3.6Å; E1746-A1750 WeakPolarHBondContact O-CA 2.51Å; E1746-A1750 WeakPolarHBondContact O-CB 2.98Å; E1746-A1750 PolarHBondContact O-N 2.84Å | |
| 1747 | I | 70.4 | Confident | 70.6 | Confident | 99 Ų | 99 | 87.7 Ų | 87.7 | 51% | 0.508 | 45% | 0.454 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -70.7 | 175.7 | 0 | 0 | 0 | 108.7 | Q1743 L1744 A1750 M1751 | Q1743-I1747 VanDerWaalsContact C-N 3.33Å; Q1743-I1747 HydrophobicContact CB-CD1 4.38Å; Q1743-I1747 WeakPolarHBondContact O-CA 3.36Å; Q1743-I1747 WeakPolarHBondContact O-CB 3.38Å; Q1743-I1747 VanDerWaalsContact O-CD1 3.26Å; Q1743-I1747 WeakPolarHBondContact O-CD1 3.29Å; Q1743-I1747 WeakPolarHBondContact O-CG1 3.27Å; Q1743-I1747 PolarHBondContact O-N 2.88Å; L1744-I1747 CarbonylContact O-C 2.73Å; L1744-I1747 VanDerWaalsContact O-C 3.27Å; L1744-I1747 PolarHBondContact O-N 3.32Å; I1747-A1750 CarbonylContact O-C 3.24Å; I1747-A1750 PolarHBondContact O-N 3.32Å; I1747-M1751 WeakPolarHBondContact O-CA 3.19Å; I1747-M1751 WeakPolarHBondContact O-CB 3.49Å; I1747-M1751 PolarHBondContact O-N 3.14Å | |
| 1748 | Q | 72.8 | Confident | 70.4 | Confident | 95 Ų | 95 | 89.5 Ų | 89.5 | 44% | 0.444 | 46% | 0.46 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -127.8 | 157.1 | -8.9 | 0 | 0 | 109.4 | L1744 E1745 M1751 D1752 | L1744-Q1748 WeakPolarHBondContact O-CA 3.01Å; L1744-Q1748 WeakPolarHBondContact O-CB 3.26Å; L1744-Q1748 PolarHBondContact O-N 3.37Å; E1745-Q1748 CarbonylContact O-C 3.25Å; E1745-Q1748 PolarHBondContact O-N 2.89Å; Q1748-M1751 CarbonylContact O-C 3.35Å; Q1748-M1751 PolarHBondContact O-N 3.25Å; Q1748-D1752 WeakPolarHBondContact O-CA 2.84Å; Q1748-D1752 WeakPolarHBondContact O-CB 2.88Å; Q1748-D1752 PolarHBondContact O-N 3.45Å | |
| 1749 | S | 72 | Confident | 70.2 | Confident | 74 Ų | 74 | 92.6 Ų | 92.6 | 52% | 0.517 | 47% | 0.469 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 158.3 | 0 | 0 | 0 | 0 | 110.7 | E1745 E1746 D1752 A1753 | E1745-S1749 WeakPolarHBondContact O-CA 3.29Å; E1745-S1749 WeakPolarHBondContact O-CB 3.31Å; E1745-S1749 PolarHBondContact O-N 2.81Å; E1746-S1749 CarbonylContact O-C 3.6Å; S1749-D1752 CarbonylContact O-C 3.41Å; S1749-D1752 PolarHBondContact O-N 3.05Å; S1749-A1753 WeakPolarHBondContact O-CA 3.37Å; S1749-A1753 WeakPolarHBondContact O-CB 3.48Å; S1749-A1753 PolarHBondContact O-N 3.28Å | |
| 1750 | A | 69 | Low | 69.9 | Low | 43 Ų | 43 | 98.4 Ų | 98.4 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 111.2 | E1746 I1747 A1753 T1754 | E1746-A1750 WeakPolarHBondContact O-CA 2.51Å; E1746-A1750 WeakPolarHBondContact O-CB 2.98Å; E1746-A1750 PolarHBondContact O-N 2.84Å; I1747-A1750 CarbonylContact O-C 3.24Å; I1747-A1750 PolarHBondContact O-N 3.32Å; A1750-A1753 CarbonylContact O-C 3.5Å; A1750-A1753 VanDerWaalsContact O-C 3.29Å; A1750-A1753 PolarHBondContact O-N 3.42Å; A1750-T1754 VanDerWaalsContact C-CG2 3.43Å; A1750-T1754 WeakPolarHBondContact O-CA 3.34Å; A1750-T1754 WeakPolarHBondContact O-CB 3.35Å; A1750-T1754 WeakPolarHBondContact O-CG2 3.36Å; A1750-T1754 PolarHBondContact O-N 2.46Å; A1750-T1754 PolarHBondContact O-OG1 3.32Å | |
| 1751 | M | 70.6 | Confident | 69.6 | Low | 88 Ų | 88 | 96.6 Ų | 96.6 | 43% | 0.433 | 48% | 0.478 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -148.5 | -169.7 | 92 | 0 | 0 | 109.6 | I1747 Q1748 A1753 T1754 E1755 | I1747-M1751 WeakPolarHBondContact O-CA 3.19Å; I1747-M1751 WeakPolarHBondContact O-CB 3.49Å; I1747-M1751 PolarHBondContact O-N 3.14Å; Q1748-M1751 CarbonylContact O-C 3.35Å; Q1748-M1751 PolarHBondContact O-N 3.25Å; M1751-A1753 VanDerWaalsContact C-N 3.32Å; M1751-T1754 WeakPolarHBondContact CA-OG1 3.4Å; M1751-T1754 PolarHBondContact N-OG1 3.47Å; M1751-T1754 VanDerWaalsContact N-OG1 3.11Å; M1751-T1754 CarbonylContact O-C 3.5Å; M1751-T1754 WeakPolarHBondContact O-CA 3.2Å; M1751-T1754 PolarHBondContact O-N 3.45Å; M1751-T1754 VanDerWaalsContact O-N 3.12Å; M1751-T1754 PolarHBondContact O-OG1 2.98Å; M1751-E1755 WeakPolarHBondContact O-CA 3.45Å; M1751-E1755 WeakPolarHBondContact O-CB 3.17Å; M1751-E1755 PolarHBondContact O-N 3.48Å | |
| 1752 | D | 72.5 | Confident | 69.6 | Low | 61 Ų | 61 | 96.8 Ų | 96.8 | 33% | 0.326 | 48% | 0.475 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -76.9 | -17.2 | 0 | 0 | 0 | 109.5 | Q1748 S1749 T1754 E1755 E1756 | Q1748-D1752 WeakPolarHBondContact O-CA 2.84Å; Q1748-D1752 WeakPolarHBondContact O-CB 2.88Å; Q1748-D1752 PolarHBondContact O-N 3.45Å; S1749-D1752 CarbonylContact O-C 3.41Å; S1749-D1752 PolarHBondContact O-N 3.05Å; D1752-T1754 VanDerWaalsContact C-N 3.28Å; D1752-E1755 CarbonylContact O-C 3Å; D1752-E1755 PolarHBondContact O-N 2.9Å; D1752-E1756 WeakPolarHBondContact O-CA 3.37Å; D1752-E1756 WeakPolarHBondContact O-CB 3.26Å; D1752-E1756 PolarHBondContact O-N 3.01Å | |
| 1753 | A | 69.6 | Low | 69.4 | Low | 40 Ų | 40 | 94 Ų | 94 | 33% | 0.331 | 46% | 0.462 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.9 | S1749 A1750 M1751 E1756 R1757 | S1749-A1753 WeakPolarHBondContact O-CA 3.37Å; S1749-A1753 WeakPolarHBondContact O-CB 3.48Å; S1749-A1753 PolarHBondContact O-N 3.28Å; A1750-A1753 CarbonylContact O-C 3.5Å; A1750-A1753 VanDerWaalsContact O-C 3.29Å; A1750-A1753 PolarHBondContact O-N 3.42Å; M1751-A1753 VanDerWaalsContact C-N 3.32Å; A1753-E1756 CarbonylContact O-C 3.45Å; A1753-R1757 WeakPolarHBondContact O-CA 3.34Å; A1753-R1757 WeakPolarHBondContact O-CB 3.42Å; A1753-R1757 VanDerWaalsContact O-CG 3.25Å; A1753-R1757 WeakPolarHBondContact O-CG 3.46Å; A1753-R1757 PolarHBondContact O-N 3.27Å | |
| 1754 | T | 62.9 | Low | 69.1 | Low | 57 Ų | 57 | 95.6 Ų | 95.6 | 35% | 0.35 | 47% | 0.469 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 47.3 | 0 | 0 | 0 | 0 | 109.8 | A1750 M1751 D1752 R1757 H1758 | A1750-T1754 VanDerWaalsContact C-CG2 3.43Å; A1750-T1754 WeakPolarHBondContact O-CA 3.34Å; A1750-T1754 WeakPolarHBondContact O-CB 3.35Å; A1750-T1754 WeakPolarHBondContact O-CG2 3.36Å; A1750-T1754 PolarHBondContact O-N 2.46Å; A1750-T1754 PolarHBondContact O-OG1 3.32Å; M1751-T1754 WeakPolarHBondContact CA-OG1 3.4Å; M1751-T1754 PolarHBondContact N-OG1 3.47Å; M1751-T1754 VanDerWaalsContact N-OG1 3.11Å; M1751-T1754 CarbonylContact O-C 3.5Å; M1751-T1754 WeakPolarHBondContact O-CA 3.2Å; M1751-T1754 PolarHBondContact O-N 3.45Å; M1751-T1754 VanDerWaalsContact O-N 3.12Å; M1751-T1754 PolarHBondContact O-OG1 2.98Å; D1752-T1754 VanDerWaalsContact C-N 3.28Å; T1754-R1757 CarbonylContact O-C 3.22Å; T1754-R1757 WeakPolarHBondContact O-CA 3.46Å; T1754-R1757 PolarHBondContact O-N 3.48Å; T1754-H1758 WeakPolarHBondContact O-CA 3.44Å; T1754-H1758 WeakPolarHBondContact O-CB 3.24Å; T1754-H1758 PolarHBondContact O-N 3.17Å | |
| 1755 | E | 70.8 | Confident | 68.7 | Low | 92 Ų | 92 | 94.9 Ų | 94.9 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -128.6 | 175.3 | -179.6 | 0 | 0 | 109.4 | M1751 D1752 R1757 H1758 K1759 | M1751-E1755 WeakPolarHBondContact O-CA 3.45Å; M1751-E1755 WeakPolarHBondContact O-CB 3.17Å; M1751-E1755 PolarHBondContact O-N 3.48Å; D1752-E1755 CarbonylContact O-C 3Å; D1752-E1755 PolarHBondContact O-N 2.9Å; E1755-R1757 VanDerWaalsContact C-N 3.33Å; E1755-H1758 VanDerWaalsContact C-N 3.34Å; E1755-H1758 CarbonylContact O-C 2.95Å; E1755-H1758 WeakPolarHBondContact O-CA 2.93Å; E1755-H1758 WeakPolarHBondContact O-CB 3.33Å; E1755-H1758 PolarHBondContact O-N 3.38Å; E1755-H1758 VanDerWaalsContact O-N 3.14Å; E1755-K1759 VanDerWaalsContact C-N 3.28Å; E1755-K1759 WeakPolarHBondContact O-CA 3.41Å; E1755-K1759 WeakPolarHBondContact O-CB 3.37Å; E1755-K1759 WeakPolarHBondContact O-CG 3.48Å; E1755-K1759 PolarHBondContact O-N 2.82Å | |
| 1756 | E | 69.4 | Low | 68.5 | Low | 103 Ų | 103 | 93.6 Ų | 93.6 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -131.2 | 171.7 | -178.9 | 0 | 0 | 110.8 | D1752 A1753 K1759 R1760 | D1752-E1756 WeakPolarHBondContact O-CA 3.37Å; D1752-E1756 WeakPolarHBondContact O-CB 3.26Å; D1752-E1756 PolarHBondContact O-N 3.01Å; A1753-E1756 CarbonylContact O-C 3.45Å; E1756-K1759 CarbonylContact O-C 3.37Å; E1756-K1759 PolarHBondContact O-N 2.81Å; E1756-R1760 WeakPolarHBondContact O-CA 3.42Å; E1756-R1760 WeakPolarHBondContact O-CB 3.27Å; E1756-R1760 WeakPolarHBondContact O-CG 3.35Å; E1756-R1760 PolarHBondContact O-N 3.42Å | |
| 1757 | R | 62.4 | Low | 68.4 | Low | 188 Ų | 188 | 90.9 Ų | 90.9 | 71% | 0.709 | 45% | 0.446 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -100.5 | -176.9 | -165.7 | 165.8 | 0.4 | 111 | A1753 T1754 E1755 R1760 A1761 | A1753-R1757 WeakPolarHBondContact O-CA 3.34Å; A1753-R1757 WeakPolarHBondContact O-CB 3.42Å; A1753-R1757 VanDerWaalsContact O-CG 3.25Å; A1753-R1757 WeakPolarHBondContact O-CG 3.46Å; A1753-R1757 PolarHBondContact O-N 3.27Å; T1754-R1757 CarbonylContact O-C 3.22Å; T1754-R1757 WeakPolarHBondContact O-CA 3.46Å; T1754-R1757 PolarHBondContact O-N 3.48Å; E1755-R1757 VanDerWaalsContact C-N 3.33Å; R1757-R1760 CarbonylContact O-C 3.33Å; R1757-R1760 VanDerWaalsContact O-C 3.32Å; R1757-A1761 WeakPolarHBondContact O-CA 3.24Å; R1757-A1761 WeakPolarHBondContact O-CB 3.44Å; R1757-A1761 PolarHBondContact O-N 2.64Å | |
| 1758 | H | 66.5 | Low | 67.8 | Low | 116 Ų | 116 | 88.2 Ų | 88.2 | 54% | 0.537 | 44% | 0.439 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -128.7 | -52.4 | 0 | 0 | 0 | 109.6 | T1754 E1755 A1761 Y1762 | T1754-H1758 WeakPolarHBondContact O-CA 3.44Å; T1754-H1758 WeakPolarHBondContact O-CB 3.24Å; T1754-H1758 PolarHBondContact O-N 3.17Å; E1755-H1758 VanDerWaalsContact C-N 3.34Å; E1755-H1758 CarbonylContact O-C 2.95Å; E1755-H1758 WeakPolarHBondContact O-CA 2.93Å; E1755-H1758 WeakPolarHBondContact O-CB 3.33Å; E1755-H1758 PolarHBondContact O-N 3.38Å; E1755-H1758 VanDerWaalsContact O-N 3.14Å; H1758-A1761 CarbonylContact O-C 3.15Å; H1758-A1761 WeakPolarHBondContact O-CA 3.18Å; H1758-A1761 PolarHBondContact O-N 3.18Å; H1758-Y1762 WeakPolarHBondContact O-CA 3.46Å; H1758-Y1762 WeakPolarHBondContact O-CB 3.38Å; H1758-Y1762 PolarHBondContact O-N 3.14Å | |
| 1759 | K | 71.6 | Confident | 67.6 | Low | 131 Ų | 131 | 87.7 Ų | 87.7 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -94.8 | -177 | -178.4 | 179.6 | 0 | 109.6 | E1755 E1756 A1761 Y1762 C1763 | E1755-K1759 VanDerWaalsContact C-N 3.28Å; E1755-K1759 WeakPolarHBondContact O-CA 3.41Å; E1755-K1759 WeakPolarHBondContact O-CB 3.37Å; E1755-K1759 WeakPolarHBondContact O-CG 3.48Å; E1755-K1759 PolarHBondContact O-N 2.82Å; E1756-K1759 CarbonylContact O-C 3.37Å; E1756-K1759 PolarHBondContact O-N 2.81Å; K1759-A1761 VanDerWaalsContact C-N 3.28Å; K1759-Y1762 CarbonylContact O-C 2.97Å; K1759-Y1762 WeakPolarHBondContact O-CB 3.27Å; K1759-Y1762 PolarHBondContact O-N 3.45Å; K1759-C1763 VanDerWaalsContact O-CA 3.22Å; K1759-C1763 WeakPolarHBondContact O-CA 2.95Å; K1759-C1763 WeakPolarHBondContact O-CB 3.35Å; K1759-C1763 PolarHBondContact O-N 2.86Å | |
| 1760 | R | 66.8 | Low | 67.4 | Low | 164 Ų | 164 | 87.9 Ų | 87.9 | 62% | 0.619 | 43% | 0.434 | S | S | * | . | H | α-helix | 0 | -34.8 | 0 | -87.5 | -175.9 | -159.8 | 169.3 | 1.3 | 110.5 | E1756 R1757 Y1762 C1763 Q1764 | E1756-R1760 WeakPolarHBondContact O-CA 3.42Å; E1756-R1760 WeakPolarHBondContact O-CB 3.27Å; E1756-R1760 WeakPolarHBondContact O-CG 3.35Å; E1756-R1760 PolarHBondContact O-N 3.42Å; R1757-R1760 CarbonylContact O-C 3.33Å; R1757-R1760 VanDerWaalsContact O-C 3.32Å; R1760-Y1762 VanDerWaalsContact C-N 3.33Å; R1760-C1763 CarbonylContact O-C 3.49Å; R1760-Q1764 WeakPolarHBondContact O-CA 3.34Å; R1760-Q1764 WeakPolarHBondContact O-CB 3.21Å; R1760-Q1764 WeakPolarHBondContact O-CG 3.25Å; R1760-Q1764 PolarHBondContact O-N 3.27Å | |
| 1761 | A | 63.3 | Low | 67.1 | Low | 39 Ų | 39 | 90.4 Ų | 90.4 | 32% | 0.322 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.8 | 0 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1757 H1758 K1759 Q1764 M1765 | R1757-A1761 WeakPolarHBondContact O-CA 3.24Å; R1757-A1761 WeakPolarHBondContact O-CB 3.44Å; R1757-A1761 PolarHBondContact O-N 2.64Å; H1758-A1761 CarbonylContact O-C 3.15Å; H1758-A1761 WeakPolarHBondContact O-CA 3.18Å; H1758-A1761 PolarHBondContact O-N 3.18Å; K1759-A1761 VanDerWaalsContact C-N 3.28Å; A1761-Q1764 CarbonylContact O-C 3.59Å; A1761-Q1764 PolarHBondContact O-N 2.76Å; A1761-M1765 VanDerWaalsContact C-CB 3.46Å; A1761-M1765 WeakPolarHBondContact O-CA 3.32Å; A1761-M1765 WeakPolarHBondContact O-CB 3.47Å; A1761-M1765 PolarHBondContact O-N 3.45Å |
| 1762 | Y | 73.5 | Confident | 66.5 | Low | 107 Ų | 107 | 89.9 Ų | 89.9 | 42% | 0.42 | 44% | 0.44 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -169.3 | -97.8 | 0 | 0 | 0 | 109.2 | H1758 K1759 R1760 Q1764 M1765 E1766 | H1758-Y1762 WeakPolarHBondContact O-CA 3.46Å; H1758-Y1762 WeakPolarHBondContact O-CB 3.38Å; H1758-Y1762 PolarHBondContact O-N 3.14Å; K1759-Y1762 CarbonylContact O-C 2.97Å; K1759-Y1762 WeakPolarHBondContact O-CB 3.27Å; K1759-Y1762 PolarHBondContact O-N 3.45Å; R1760-Y1762 VanDerWaalsContact C-N 3.33Å; Y1762-Q1764 VanDerWaalsContact C-N 3.31Å; Y1762-M1765 VanDerWaalsContact C-N 3.31Å; Y1762-M1765 HydrophobicContact CD2-CE 3.22Å; Y1762-M1765 HydrophobicContact CD2-SD 4.46Å; Y1762-M1765 HydrophobicContact CE2-CE 3.36Å; Y1762-M1765 HydrophobicContact CG-CE 4.18Å; Y1762-M1765 CarbonylContact O-C 3.59Å; Y1762-M1765 VanDerWaalsContact O-CA 3.29Å; Y1762-M1765 WeakPolarHBondContact O-CA 3.42Å; Y1762-M1765 VanDerWaalsContact O-CB 3.22Å; Y1762-M1765 WeakPolarHBondContact O-CB 3.14Å; Y1762-M1765 PolarHBondContact O-N 3.12Å; Y1762-E1766 VanDerWaalsContact C-N 3.32Å; Y1762-E1766 HydrophobicContact CD1-CG 4.36Å; Y1762-E1766 HydrophobicContact CE1-CG 3.98Å; Y1762-E1766 VanDerWaalsContact O-CA 3.23Å; Y1762-E1766 WeakPolarHBondContact O-CA 3.23Å; Y1762-E1766 VanDerWaalsContact O-CB 3.23Å; Y1762-E1766 WeakPolarHBondContact O-CB 3.29Å; Y1762-E1766 PolarHBondContact O-N 2.34Å | |
| 1763 | C | 69.9 | Low | 66.4 | Low | 33 Ų | 33 | 89.7 Ų | 89.7 | 22% | 0.223 | 44% | 0.444 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -113 | 0 | 0 | 0 | 0 | 110.3 | K1759 R1760 M1765 E1766 Q1767 | K1759-C1763 VanDerWaalsContact O-CA 3.22Å; K1759-C1763 WeakPolarHBondContact O-CA 2.95Å; K1759-C1763 WeakPolarHBondContact O-CB 3.35Å; K1759-C1763 PolarHBondContact O-N 2.86Å; R1760-C1763 CarbonylContact O-C 3.49Å; C1763-M1765 VanDerWaalsContact C-N 3.32Å; C1763-E1766 PolarHBondContact O-N 3.3Å; C1763-Q1767 WeakPolarHBondContact O-CA 3.46Å; C1763-Q1767 WeakPolarHBondContact O-CB 3.45Å; C1763-Q1767 PolarHBondContact O-N 3.38Å | |
| 1764 | Q | 63.8 | Low | 66.2 | Low | 130 Ų | 130 | 91.8 Ų | 91.8 | 61% | 0.607 | 45% | 0.452 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -81.2 | -179.2 | 4.3 | 0 | 0 | 111.4 | R1760 A1761 Y1762 Q1767 A1768 | R1760-Q1764 WeakPolarHBondContact O-CA 3.34Å; R1760-Q1764 WeakPolarHBondContact O-CB 3.21Å; R1760-Q1764 WeakPolarHBondContact O-CG 3.25Å; R1760-Q1764 PolarHBondContact O-N 3.27Å; A1761-Q1764 CarbonylContact O-C 3.59Å; A1761-Q1764 PolarHBondContact O-N 2.76Å; Y1762-Q1764 VanDerWaalsContact C-N 3.31Å; Q1764-Q1767 CarbonylContact O-C 3.24Å; Q1764-Q1767 VanDerWaalsContact O-C 3.3Å; Q1764-A1768 WeakPolarHBondContact O-CA 3.44Å; Q1764-A1768 WeakPolarHBondContact O-CB 3.42Å; Q1764-A1768 PolarHBondContact O-N 3.44Å | |
| 1765 | M | 61.1 | Low | 66.1 | Low | 76 Ų | 76 | 93.5 Ų | 93.5 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -158.1 | -178.7 | 74.8 | 0 | 0 | 109.7 | A1761 Y1762 C1763 A1768 Q1769 | A1761-M1765 VanDerWaalsContact C-CB 3.46Å; A1761-M1765 WeakPolarHBondContact O-CA 3.32Å; A1761-M1765 WeakPolarHBondContact O-CB 3.47Å; A1761-M1765 PolarHBondContact O-N 3.45Å; Y1762-M1765 VanDerWaalsContact C-N 3.31Å; Y1762-M1765 HydrophobicContact CD2-CE 3.22Å; Y1762-M1765 HydrophobicContact CD2-SD 4.46Å; Y1762-M1765 HydrophobicContact CE2-CE 3.36Å; Y1762-M1765 HydrophobicContact CG-CE 4.18Å; Y1762-M1765 CarbonylContact O-C 3.59Å; Y1762-M1765 VanDerWaalsContact O-CA 3.29Å; Y1762-M1765 WeakPolarHBondContact O-CA 3.42Å; Y1762-M1765 VanDerWaalsContact O-CB 3.22Å; Y1762-M1765 WeakPolarHBondContact O-CB 3.14Å; Y1762-M1765 PolarHBondContact O-N 3.12Å; C1763-M1765 VanDerWaalsContact C-N 3.32Å; M1765-A1768 VanDerWaalsContact CA-CB 3.47Å; M1765-A1768 CarbonylContact O-C 3.24Å; M1765-A1768 WeakPolarHBondContact O-CA 3.26Å; M1765-A1768 WeakPolarHBondContact O-CB 3.07Å; M1765-A1768 PolarHBondContact O-N 3.3Å; M1765-Q1769 WeakPolarHBondContact O-CA 3.2Å; M1765-Q1769 WeakPolarHBondContact O-CB 3.41Å; M1765-Q1769 PolarHBondContact O-N 3.15Å | |
| 1766 | E | 70.4 | Confident | 65.7 | Low | 97 Ų | 97 | 94.1 Ų | 94.1 | 45% | 0.453 | 46% | 0.458 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -108.9 | -163.2 | 165.4 | 0 | 0 | 109.6 | Y1762 C1763 A1768 Q1769 T1770 | Y1762-E1766 VanDerWaalsContact C-N 3.32Å; Y1762-E1766 HydrophobicContact CD1-CG 4.36Å; Y1762-E1766 HydrophobicContact CE1-CG 3.98Å; Y1762-E1766 VanDerWaalsContact O-CA 3.23Å; Y1762-E1766 WeakPolarHBondContact O-CA 3.23Å; Y1762-E1766 VanDerWaalsContact O-CB 3.23Å; Y1762-E1766 WeakPolarHBondContact O-CB 3.29Å; Y1762-E1766 PolarHBondContact O-N 2.34Å; C1763-E1766 PolarHBondContact O-N 3.3Å; E1766-A1768 VanDerWaalsContact C-N 3.3Å; E1766-Q1769 CarbonylContact O-C 3.05Å; E1766-Q1769 WeakPolarHBondContact O-CB 3.26Å; E1766-Q1769 PolarHBondContact O-N 2.84Å; E1766-T1770 WeakPolarHBondContact O-CA 3.5Å; E1766-T1770 VanDerWaalsContact O-CB 3.32Å; E1766-T1770 WeakPolarHBondContact O-CB 3.18Å; E1766-T1770 PolarHBondContact O-N 2.83Å; E1766-T1770 PolarHBondContact O-OG1 2.89Å | |
| 1767 | Q | 66.8 | Low | 65.7 | Low | 75 Ų | 75 | 94.1 Ų | 94.1 | 35% | 0.35 | 46% | 0.461 | S | S | . | . | H | α-helix | 0 | -36.6 | 0 | -151 | 160.2 | 3.4 | 0 | 0 | 111.6 | C1763 Q1764 T1770 D1771 | C1763-Q1767 WeakPolarHBondContact O-CA 3.46Å; C1763-Q1767 WeakPolarHBondContact O-CB 3.45Å; C1763-Q1767 PolarHBondContact O-N 3.38Å; Q1764-Q1767 CarbonylContact O-C 3.24Å; Q1764-Q1767 VanDerWaalsContact O-C 3.3Å; Q1767-T1770 WeakPolarHBondContact CA-OG1 3.36Å; Q1767-T1770 CarbonylContact O-C 3.07Å; Q1767-T1770 PolarHBondContact O-N 2.23Å; Q1767-T1770 PolarHBondContact O-OG1 3.25Å; Q1767-D1771 WeakPolarHBondContact O-CA 3.41Å; Q1767-D1771 WeakPolarHBondContact O-CB 3.31Å; Q1767-D1771 PolarHBondContact O-N 3.15Å | |
| 1768 | A | 58.4 | Low | 65.7 | Low | 43 Ų | 43 | 89.1 Ų | 89.1 | 36% | 0.355 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -72.2 | 0 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q1764 M1765 E1766 D1771 L1772 | Q1764-A1768 WeakPolarHBondContact O-CA 3.44Å; Q1764-A1768 WeakPolarHBondContact O-CB 3.42Å; Q1764-A1768 PolarHBondContact O-N 3.44Å; M1765-A1768 VanDerWaalsContact CA-CB 3.47Å; M1765-A1768 CarbonylContact O-C 3.24Å; M1765-A1768 WeakPolarHBondContact O-CA 3.26Å; M1765-A1768 WeakPolarHBondContact O-CB 3.07Å; M1765-A1768 PolarHBondContact O-N 3.3Å; E1766-A1768 VanDerWaalsContact C-N 3.3Å; A1768-D1771 CarbonylContact O-C 3.57Å; A1768-D1771 WeakPolarHBondContact O-CA 3.31Å; A1768-D1771 PolarHBondContact O-N 2.49Å; A1768-L1772 WeakPolarHBondContact O-CA 3.41Å; A1768-L1772 WeakPolarHBondContact O-CB 3.48Å; A1768-L1772 PolarHBondContact O-N 2.96Å |
| 1769 | Q | 68.1 | Low | 65.4 | Low | 85 Ų | 85 | 85.8 Ų | 85.8 | 40% | 0.397 | 43% | 0.433 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -159.6 | 154.2 | -9.4 | 0 | 0 | 109.2 | M1765 E1766 D1771 L1772 S1773 | M1765-Q1769 WeakPolarHBondContact O-CA 3.2Å; M1765-Q1769 WeakPolarHBondContact O-CB 3.41Å; M1765-Q1769 PolarHBondContact O-N 3.15Å; E1766-Q1769 CarbonylContact O-C 3.05Å; E1766-Q1769 WeakPolarHBondContact O-CB 3.26Å; E1766-Q1769 PolarHBondContact O-N 2.84Å; Q1769-D1771 VanDerWaalsContact C-N 3.34Å; Q1769-L1772 VanDerWaalsContact C-N 3.34Å; Q1769-L1772 HydrophobicContact CG-CD2 4.44Å; Q1769-L1772 CarbonylContact O-C 2.81Å; Q1769-L1772 WeakPolarHBondContact O-CA 3.39Å; Q1769-L1772 WeakPolarHBondContact O-CB 3.39Å; Q1769-L1772 PolarHBondContact O-N 2.45Å; Q1769-S1773 WeakPolarHBondContact O-CA 3.38Å; Q1769-S1773 WeakPolarHBondContact O-CB 3.12Å; Q1769-S1773 PolarHBondContact O-N 3.27Å | |
| 1770 | T | 67.5 | Low | 65.1 | Low | 77 Ų | 77 | 84.1 Ų | 84.1 | 47% | 0.472 | 43% | 0.429 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 10.3 | 0 | 0 | 0 | 0 | 109.3 | E1766 Q1767 S1773 V1774 | E1766-T1770 WeakPolarHBondContact O-CA 3.5Å; E1766-T1770 VanDerWaalsContact O-CB 3.32Å; E1766-T1770 WeakPolarHBondContact O-CB 3.18Å; E1766-T1770 PolarHBondContact O-N 2.83Å; E1766-T1770 PolarHBondContact O-OG1 2.89Å; Q1767-T1770 WeakPolarHBondContact CA-OG1 3.36Å; Q1767-T1770 CarbonylContact O-C 3.07Å; Q1767-T1770 PolarHBondContact O-N 2.23Å; Q1767-T1770 PolarHBondContact O-OG1 3.25Å; T1770-S1773 PolarHBondContact O-N 2.8Å; T1770-V1774 VanDerWaalsContact O-CB 3.31Å; T1770-V1774 WeakPolarHBondContact O-CB 2.8Å; T1770-V1774 WeakPolarHBondContact O-CG2 3.22Å; T1770-V1774 PolarHBondContact O-N 2.97Å | |
| 1771 | D | 62.9 | Low | 64.7 | Low | 97 Ų | 97 | 85.7 Ų | 85.7 | 52% | 0.519 | 44% | 0.435 | S | S | . | . | H | α-helix | 0 | -26.9 | 0 | -72.5 | -15.2 | 0 | 0 | 0 | 111.5 | Q1767 A1768 Q1769 V1774 E1775 | Q1767-D1771 WeakPolarHBondContact O-CA 3.41Å; Q1767-D1771 WeakPolarHBondContact O-CB 3.31Å; Q1767-D1771 PolarHBondContact O-N 3.15Å; A1768-D1771 CarbonylContact O-C 3.57Å; A1768-D1771 WeakPolarHBondContact O-CA 3.31Å; A1768-D1771 PolarHBondContact O-N 2.49Å; Q1769-D1771 VanDerWaalsContact C-N 3.34Å; D1771-V1774 CarbonylContact O-C 3.04Å; D1771-V1774 PolarHBondContact O-N 3.48Å; D1771-E1775 VanDerWaalsContact C-CB 3.44Å; D1771-E1775 VanDerWaalsContact C-N 3.28Å; D1771-E1775 WeakPolarHBondContact O-CA 3.5Å; D1771-E1775 WeakPolarHBondContact O-CB 3.18Å; D1771-E1775 WeakPolarHBondContact O-CG 3.47Å; D1771-E1775 PolarHBondContact O-N 2.84Å | |
| 1772 | L | 58.4 | Low | 64.3 | Low | 76 Ų | 76 | 85.3 Ų | 85.3 | 40% | 0.398 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -75.9 | -40.6 | 172.9 | -169.2 | 81 | 0 | 0 | 0 | 109.8 | A1768 Q1769 V1774 E1775 K1776 | A1768-L1772 WeakPolarHBondContact O-CA 3.41Å; A1768-L1772 WeakPolarHBondContact O-CB 3.48Å; A1768-L1772 PolarHBondContact O-N 2.96Å; Q1769-L1772 VanDerWaalsContact C-N 3.34Å; Q1769-L1772 HydrophobicContact CG-CD2 4.44Å; Q1769-L1772 CarbonylContact O-C 2.81Å; Q1769-L1772 WeakPolarHBondContact O-CA 3.39Å; Q1769-L1772 WeakPolarHBondContact O-CB 3.39Å; Q1769-L1772 PolarHBondContact O-N 2.45Å; L1772-V1774 VanDerWaalsContact C-N 3.25Å; L1772-E1775 CarbonylContact O-C 1.31Å; L1772-E1775 WeakPolarHBondContact O-CA 3.3Å; L1772-E1775 PolarHBondContact O-N 3.03Å; L1772-E1775 VanDerWaalsContact O-N 3.16Å; L1772-K1776 VanDerWaalsContact C-CB 3.43Å; L1772-K1776 HydrophobicContact CD2-CD 4.32Å; L1772-K1776 HydrophobicContact CD2-CG 4.49Å; L1772-K1776 HydrophobicContact CG-CD 4.39Å; L1772-K1776 HydrophobicContact CG-CG 4.06Å; L1772-K1776 WeakPolarHBondContact O-CA 3.42Å; L1772-K1776 WeakPolarHBondContact O-CB 3.42Å; L1772-K1776 VanDerWaalsContact O-CG 3.25Å; L1772-K1776 WeakPolarHBondContact O-CG 3.43Å; L1772-K1776 CovalentContact O-N 1.77Å; L1772-K1776 PolarHBondContact O-N 2.89Å |
| 1773 | S | 70.4 | Confident | 63.7 | Low | 57 Ų | 57 | 82.7 Ų | 82.7 | 40% | 0.399 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.8 | 0 | 175.6 | 154.7 | 0 | 0 | 0 | 0 | 109.4 | Q1769 T1770 E1775 K1776 N1777 | Q1769-S1773 WeakPolarHBondContact O-CA 3.38Å; Q1769-S1773 WeakPolarHBondContact O-CB 3.12Å; Q1769-S1773 PolarHBondContact O-N 3.27Å; T1770-S1773 PolarHBondContact O-N 2.8Å; S1773-E1775 VanDerWaalsContact C-N 3.29Å; S1773-K1776 VanDerWaalsContact CA-CB 3.49Å; S1773-K1776 CarbonylContact O-C 2.91Å; S1773-K1776 PolarHBondContact O-N 3.23Å; S1773-N1777 WeakPolarHBondContact O-CA 3.4Å; S1773-N1777 WeakPolarHBondContact O-CB 3.38Å; S1773-N1777 PolarHBondContact O-N 2.97Å |
| 1774 | V | 66.3 | Low | 63.5 | Low | 85 Ų | 85 | 85.6 Ų | 85.6 | 52% | 0.515 | 44% | 0.441 | S | S | . | . | H | α-helix | 0 | -35.4 | 0 | 170.6 | 0 | 0 | 0 | 0 | 109.3 | T1770 D1771 L1772 N1778 | T1770-V1774 VanDerWaalsContact O-CB 3.31Å; T1770-V1774 WeakPolarHBondContact O-CB 2.8Å; T1770-V1774 WeakPolarHBondContact O-CG2 3.22Å; T1770-V1774 PolarHBondContact O-N 2.97Å; D1771-V1774 CarbonylContact O-C 3.04Å; D1771-V1774 PolarHBondContact O-N 3.48Å; L1772-V1774 VanDerWaalsContact C-N 3.25Å; V1774-N1778 WeakPolarHBondContact O-CA 3.28Å; V1774-N1778 WeakPolarHBondContact O-CB 3.26Å; V1774-N1778 PolarHBondContact O-N 2.77Å; V1774-N1778 PolarHBondContact O-ND2 3.16Å | |
| 1775 | E | 59.2 | Low | 63.1 | Low | 93 Ų | 93 | 85.1 Ų | 85.1 | 44% | 0.435 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -77.8 | 0 | 174.2 | -105.3 | -107.7 | 170 | 0 | 0 | 111.1 | R1280 D1771 L1772 S1773 N1778 F1779 | R1280-E1775 IonicContact NH2-OE2 3.11Å; D1771-E1775 VanDerWaalsContact C-CB 3.44Å; D1771-E1775 VanDerWaalsContact C-N 3.28Å; D1771-E1775 WeakPolarHBondContact O-CA 3.5Å; D1771-E1775 WeakPolarHBondContact O-CB 3.18Å; D1771-E1775 WeakPolarHBondContact O-CG 3.47Å; D1771-E1775 PolarHBondContact O-N 2.84Å; L1772-E1775 CarbonylContact O-C 1.31Å; L1772-E1775 WeakPolarHBondContact O-CA 3.3Å; L1772-E1775 PolarHBondContact O-N 3.03Å; L1772-E1775 VanDerWaalsContact O-N 3.16Å; S1773-E1775 VanDerWaalsContact C-N 3.29Å; E1775-N1778 CarbonylContact O-C 3.49Å; E1775-N1778 WeakPolarHBondContact O-CA 3.46Å; E1775-N1778 WeakPolarHBondContact O-CB 3.47Å; E1775-N1778 PolarHBondContact O-N 2.89Å; E1775-N1778 VanDerWaalsContact O-N 3.09Å; E1775-F1779 VanDerWaalsContact C-CB 3.45Å; E1775-F1779 WeakPolarHBondContact O-CA 3.45Å; E1775-F1779 WeakPolarHBondContact O-CB 3.28Å; E1775-F1779 PolarHBondContact O-N 3.42Å |
| 1776 | K | 63.9 | Low | 62.9 | Low | 104 Ų | 104 | 82.4 Ų | 82.4 | 45% | 0.452 | 42% | 0.424 | S | S | . | . | H | α-helix | 0 | -40.8 | 0 | -114.9 | -176.4 | 177.4 | 177.5 | 0 | 109.5 | L1772 S1773 N1778 F1779 L1780 | L1772-K1776 VanDerWaalsContact C-CB 3.43Å; L1772-K1776 HydrophobicContact CD2-CD 4.32Å; L1772-K1776 HydrophobicContact CD2-CG 4.49Å; L1772-K1776 HydrophobicContact CG-CD 4.39Å; L1772-K1776 HydrophobicContact CG-CG 4.06Å; L1772-K1776 WeakPolarHBondContact O-CA 3.42Å; L1772-K1776 WeakPolarHBondContact O-CB 3.42Å; L1772-K1776 VanDerWaalsContact O-CG 3.25Å; L1772-K1776 WeakPolarHBondContact O-CG 3.43Å; L1772-K1776 CovalentContact O-N 1.77Å; L1772-K1776 PolarHBondContact O-N 2.89Å; S1773-K1776 VanDerWaalsContact CA-CB 3.49Å; S1773-K1776 CarbonylContact O-C 2.91Å; S1773-K1776 PolarHBondContact O-N 3.23Å; K1776-N1778 VanDerWaalsContact C-N 3.25Å; K1776-F1779 VanDerWaalsContact CA-CB 3.5Å; K1776-F1779 CarbonylContact O-C 3.6Å; K1776-F1779 VanDerWaalsContact O-C 3.26Å; K1776-F1779 PolarHBondContact O-N 2.88Å; K1776-L1780 WeakPolarHBondContact O-CA 3.38Å; K1776-L1780 WeakPolarHBondContact O-CB 3.38Å; K1776-L1780 VanDerWaalsContact O-CD1 3.3Å; K1776-L1780 WeakPolarHBondContact O-CD1 3.41Å; K1776-L1780 WeakPolarHBondContact O-CG 3.42Å; K1776-L1780 PolarHBondContact O-N 3.26Å | |
| 1777 | N | 69.2 | Low | 62.7 | Low | 104 Ų | 104 | 78 Ų | 78 | 56% | 0.556 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -71 | 0 | 175.2 | -94 | -29.1 | 0 | 0 | 0 | 110.4 | S1773 R1781 | S1773-N1777 WeakPolarHBondContact O-CA 3.4Å; S1773-N1777 WeakPolarHBondContact O-CB 3.38Å; S1773-N1777 PolarHBondContact O-N 2.97Å; N1777-R1781 WeakPolarHBondContact O-CB 3.21Å; N1777-R1781 PolarHBondContact O-N 3.2Å |
| 1778 | N | 61 | Low | 62.2 | Low | 83 Ų | 83 | 75.9 Ų | 75.9 | 44% | 0.444 | 40% | 0.397 | S | S | . | . | H | α-helix | 0 | -28.9 | 0 | -81 | -17.4 | 0 | 0 | 0 | 112 | V1774 E1775 K1776 R1781 S1782 | V1774-N1778 WeakPolarHBondContact O-CA 3.28Å; V1774-N1778 WeakPolarHBondContact O-CB 3.26Å; V1774-N1778 PolarHBondContact O-N 2.77Å; V1774-N1778 PolarHBondContact O-ND2 3.16Å; E1775-N1778 CarbonylContact O-C 3.49Å; E1775-N1778 WeakPolarHBondContact O-CA 3.46Å; E1775-N1778 WeakPolarHBondContact O-CB 3.47Å; E1775-N1778 PolarHBondContact O-N 2.89Å; E1775-N1778 VanDerWaalsContact O-N 3.09Å; K1776-N1778 VanDerWaalsContact C-N 3.25Å; N1778-R1781 CarbonylContact O-C 3.34Å; N1778-R1781 WeakPolarHBondContact O-CB 3.43Å; N1778-R1781 PolarHBondContact O-N 3.03Å; N1778-S1782 WeakPolarHBondContact O-CA 3.42Å; N1778-S1782 WeakPolarHBondContact O-CB 3.4Å; N1778-S1782 PolarHBondContact O-N 3.31Å; N1778-S1782 PolarHBondContact O-OG 2.93Å | |
| 1779 | F | 61 | Low | 61.9 | Low | 46 Ų | 46 | 74.2 Ų | 74.2 | 20% | 0.202 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -74.6 | 0 | 172.1 | 177.8 | -102.9 | 0 | 0 | 0 | 110 | D1276 E1775 K1776 R1781 S1782 E1783 | D1276-F1779 WeakPolarHBondContact OD2-CD2 3.48Å; E1775-F1779 VanDerWaalsContact C-CB 3.45Å; E1775-F1779 WeakPolarHBondContact O-CA 3.45Å; E1775-F1779 WeakPolarHBondContact O-CB 3.28Å; E1775-F1779 PolarHBondContact O-N 3.42Å; K1776-F1779 VanDerWaalsContact CA-CB 3.5Å; K1776-F1779 CarbonylContact O-C 3.6Å; K1776-F1779 VanDerWaalsContact O-C 3.26Å; K1776-F1779 PolarHBondContact O-N 2.88Å; F1779-R1781 PolarHBondContact O-N 3.43Å; F1779-S1782 VanDerWaalsContact C-N 3.31Å; F1779-S1782 CarbonylContact O-C 3.36Å; F1779-S1782 VanDerWaalsContact O-CA 3.32Å; F1779-S1782 WeakPolarHBondContact O-CA 3.39Å; F1779-S1782 PolarHBondContact O-N 2.82Å; F1779-E1783 HydrophobicContact CD1-CB 4.05Å; F1779-E1783 HydrophobicContact CD1-CG 4.09Å; F1779-E1783 WeakPolarHBondContact CD1-OE2 3.46Å; F1779-E1783 HydrophobicContact CE1-CB 3.91Å; F1779-E1783 HydrophobicContact CE1-CG 3.41Å; F1779-E1783 VanDerWaalsContact CE1-CG 3.41Å; F1779-E1783 WeakPolarHBondContact CE1-OE1 3.4Å; F1779-E1783 WeakPolarHBondContact CE1-OE2 3.39Å; F1779-E1783 HydrophobicContact CE2-CG 4.29Å; F1779-E1783 HydrophobicContact CZ-CB 4.24Å; F1779-E1783 HydrophobicContact CZ-CG 3.53Å; F1779-E1783 WeakPolarHBondContact O-CA 3.28Å; F1779-E1783 WeakPolarHBondContact O-CB 3.43Å; F1779-E1783 PolarHBondContact O-N 3.23Å |
| 1780 | L | 64.6 | Low | 61.5 | Low | 95 Ų | 95 | 72.1 Ų | 72.1 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | H | α-helix | 0 | -24.1 | 0 | -108.4 | 132.2 | 0 | 0 | 0 | 109.4 | K1776 C1784 | K1776-L1780 WeakPolarHBondContact O-CA 3.38Å; K1776-L1780 WeakPolarHBondContact O-CB 3.38Å; K1776-L1780 VanDerWaalsContact O-CD1 3.3Å; K1776-L1780 WeakPolarHBondContact O-CD1 3.41Å; K1776-L1780 WeakPolarHBondContact O-CG 3.42Å; K1776-L1780 PolarHBondContact O-N 3.26Å; L1780-C1784 WeakPolarHBondContact O-CB 3.12Å; L1780-C1784 PolarHBondContact O-N 3.02Å | |
| 1781 | R | 58.9 | Low | 61.2 | Low | 198 Ų | 198 | 68.6 Ų | 68.6 | 75% | 0.747 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -85.5 | 0 | 174.8 | -109.4 | -179.2 | -167.5 | 174.2 | 0 | 110.9 | M1272 N1777 N1778 F1779 Q1785 | M1272-R1781 VanDerWaalsContact SD-O 3.32Å; N1777-R1781 WeakPolarHBondContact O-CB 3.21Å; N1777-R1781 PolarHBondContact O-N 3.2Å; N1778-R1781 CarbonylContact O-C 3.34Å; N1778-R1781 WeakPolarHBondContact O-CB 3.43Å; N1778-R1781 PolarHBondContact O-N 3.03Å; F1779-R1781 PolarHBondContact O-N 3.43Å; R1781-Q1785 PolarHBondContact O-N 2.96Å |
| 1782 | S | 55.8 | Low | 60.8 | Low | 30 Ų | 30 | 68.5 Ų | 68.5 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | H | α-helix | 0 | -23.7 | 0 | -95.6 | 0 | 0 | 0 | 0 | 110.6 | M1272 D1276 N1778 F1779 Q1785 R1786 | M1272-S1782 CarbonylContact C-O 3.06Å; M1272-S1782 WeakPolarHBondContact CB-O 3.39Å; M1272-S1782 VanDerWaalsContact CG-O 3.31Å; M1272-S1782 WeakPolarHBondContact CG-O 3.33Å; M1272-S1782 VanDerWaalsContact O-O 3.13Å; M1272-S1782 VanDerWaalsContact SD-C 3.56Å; D1276-S1782 WeakPolarHBondContact OD1-CB 3.26Å; D1276-S1782 PolarHBondContact OD1-OG 2.89Å; N1778-S1782 WeakPolarHBondContact O-CA 3.42Å; N1778-S1782 WeakPolarHBondContact O-CB 3.4Å; N1778-S1782 PolarHBondContact O-N 3.31Å; N1778-S1782 PolarHBondContact O-OG 2.93Å; F1779-S1782 VanDerWaalsContact C-N 3.31Å; F1779-S1782 CarbonylContact O-C 3.36Å; F1779-S1782 VanDerWaalsContact O-CA 3.32Å; F1779-S1782 WeakPolarHBondContact O-CA 3.39Å; F1779-S1782 PolarHBondContact O-N 2.82Å; S1782-Q1785 CarbonylContact O-C 3.29Å; S1782-Q1785 WeakPolarHBondContact O-CA 3.05Å; S1782-Q1785 VanDerWaalsContact O-CB 3.29Å; S1782-Q1785 WeakPolarHBondContact O-CB 3.24Å; S1782-Q1785 PolarHBondContact O-N 3.36Å; S1782-Q1785 VanDerWaalsContact O-N 3.1Å; S1782-R1786 WeakPolarHBondContact O-CB 3.26Å; S1782-R1786 PolarHBondContact O-N 3.43Å | |
| 1783 | E | 61.1 | Low | 60.6 | Low | 53 Ų | 53 | 66.6 Ų | 66.6 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -80.6 | -37.4 | 176.5 | -140.9 | -178.5 | 159.3 | 0 | 0 | 109.7 | M1272 Q1273 F1779 Q1785 R1786 V1787 | M1272-E1783 WeakPolarHBondContact CB-O 3.28Å; M1272-E1783 HydrophobicContact CE-CB 4.26Å; M1272-E1783 CovalentContact CE-O 1.7Å; M1272-E1783 WeakPolarHBondContact CE-O 3.45Å; M1272-E1783 WeakPolarHBondContact CG-O 3.46Å; Q1273-E1783 HydrophobicContact CG-CG 4.3Å; F1779-E1783 HydrophobicContact CD1-CB 4.05Å; F1779-E1783 HydrophobicContact CD1-CG 4.09Å; F1779-E1783 WeakPolarHBondContact CD1-OE2 3.46Å; F1779-E1783 HydrophobicContact CE1-CB 3.91Å; F1779-E1783 HydrophobicContact CE1-CG 3.41Å; F1779-E1783 VanDerWaalsContact CE1-CG 3.41Å; F1779-E1783 WeakPolarHBondContact CE1-OE1 3.4Å; F1779-E1783 WeakPolarHBondContact CE1-OE2 3.39Å; F1779-E1783 HydrophobicContact CE2-CG 4.29Å; F1779-E1783 HydrophobicContact CZ-CB 4.24Å; F1779-E1783 HydrophobicContact CZ-CG 3.53Å; F1779-E1783 WeakPolarHBondContact O-CA 3.28Å; F1779-E1783 WeakPolarHBondContact O-CB 3.43Å; F1779-E1783 PolarHBondContact O-N 3.23Å; E1783-Q1785 PolarHBondContact O-N 3.47Å; E1783-R1786 CarbonylContact O-C 3.3Å; E1783-R1786 PolarHBondContact O-N 3.07Å; E1783-R1786 IonicContact OE1-NH2 3.3Å; E1783-V1787 WeakPolarHBondContact O-CB 3.45Å; E1783-V1787 WeakPolarHBondContact O-CG2 3.3Å; E1783-V1787 PolarHBondContact O-N 2.93Å |
| 1784 | C | 64.2 | Low | 60.3 | Low | 93 Ų | 93 | 67.6 Ų | 67.6 | 63% | 0.628 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.4 | 0 | 172.8 | -103.1 | 0 | 0 | 0 | 0 | 109.8 | M1272 L1780 | M1272-C1784 CovalentContact CE-C 1.44Å; M1272-C1784 CovalentContact CE-CA 1.27Å; M1272-C1784 HydrophobicContact CE-CB 2.81Å; M1272-C1784 CovalentContact CE-N 1.71Å; M1272-C1784 WeakPolarHBondContact CE-O 3.33Å; M1272-C1784 WeakPolarHBondContact CG-O 3.13Å; M1272-C1784 CovalentContact SD-C 1.22Å; M1272-C1784 WeakPolarHBondContact SD-CA 3.26Å; M1272-C1784 HydrophobicContact SD-CB 3.1Å; M1272-C1784 WeakPolarHBondContact SD-CB 3.4Å; M1272-C1784 PolarHBondContact SD-N 3.39Å; L1780-C1784 WeakPolarHBondContact O-CB 3.12Å; L1780-C1784 PolarHBondContact O-N 3.02Å |
| 1785 | Q | 55 | Low | 59.9 | Low | 120 Ų | 120 | 66.8 Ų | 66.8 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -97.8 | 177.4 | -2.8 | 0 | 0 | 111.1 | Q1268 E1271 M1272 R1781 S1782 E1783 L1789 | Q1268-Q1785 CarbonylContact O-C 3.51Å; Q1268-Q1785 VanDerWaalsContact O-O 3.05Å; E1271-Q1785 CarbonylContact C-O 3.43Å; M1272-Q1785 CarbonylContact C-O 3.45Å; M1272-Q1785 WeakPolarHBondContact CA-O 3.45Å; M1272-Q1785 HydrophobicContact CB-CB 3.61Å; M1272-Q1785 WeakPolarHBondContact CB-O 3.27Å; M1272-Q1785 VanDerWaalsContact CE-CA 3.44Å; M1272-Q1785 CovalentContact CG-C 1.01Å; M1272-Q1785 CovalentContact CG-CA 1.17Å; M1272-Q1785 HydrophobicContact CG-CB 2.54Å; M1272-Q1785 HydrophobicContact CG-CG 3.71Å; M1272-Q1785 WeakPolarHBondContact CG-O 3.4Å; M1272-Q1785 PolarHBondContact N-O 3.41Å; M1272-Q1785 WeakPolarHBondContact SD-CA 3.4Å; M1272-Q1785 HydrophobicContact SD-CB 2.87Å; M1272-Q1785 WeakPolarHBondContact SD-CB 3.36Å; M1272-Q1785 HydrophobicContact SD-CG 3.72Å; M1272-Q1785 CovalentContact SD-N 0.42Å; M1272-Q1785 PolarHBondContact SD-N 3.33Å; R1781-Q1785 PolarHBondContact O-N 2.96Å; S1782-Q1785 CarbonylContact O-C 3.29Å; S1782-Q1785 WeakPolarHBondContact O-CA 3.05Å; S1782-Q1785 VanDerWaalsContact O-CB 3.29Å; S1782-Q1785 WeakPolarHBondContact O-CB 3.24Å; S1782-Q1785 PolarHBondContact O-N 3.36Å; S1782-Q1785 VanDerWaalsContact O-N 3.1Å; E1783-Q1785 PolarHBondContact O-N 3.47Å; Q1785-L1789 PolarHBondContact O-N 2.88Å; Q1785-L1789 VanDerWaalsContact O-N 3.14Å | |
| 1786 | R | 58.8 | Low | 59.6 | Low | 20 Ų | 20 | 67.8 Ų | 67.8 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | H | α-helix | 0 | 0 | 0 | -167.3 | -176.3 | 68.4 | 93.1 | 1.6 | 111.4 | Q1268 E1269 T1270 E1271 M1272 Q1273 S1782 E1783 S1788 L1789 E1790 | Q1268-R1786 CarbonylContact C-O 3.56Å; Q1268-R1786 CarbonylContact O-C 3.59Å; Q1268-R1786 VanDerWaalsContact O-CA 3.24Å; Q1268-R1786 WeakPolarHBondContact O-CA 3.44Å; E1269-R1786 CarbonylContact C-O 3.55Å; E1269-R1786 WeakPolarHBondContact CA-O 3.49Å; E1269-R1786 PolarHBondContact N-O 3.33Å; E1269-R1786 CarbonylContact O-C 3.54Å; E1269-R1786 WeakPolarHBondContact O-CA 3.37Å; E1269-R1786 WeakPolarHBondContact O-CB 3.18Å; E1269-R1786 WeakPolarHBondContact O-CG 3.4Å; E1269-R1786 PolarHBondContact O-NE 2.65Å; T1270-R1786 CarbonylContact C-O 3.4Å; T1270-R1786 WeakPolarHBondContact CA-O 3.47Å; T1270-R1786 PolarHBondContact N-O 2.93Å; E1271-R1786 CarbonylContact C-O 3.51Å; E1271-R1786 WeakPolarHBondContact CA-O 3.44Å; E1271-R1786 PolarHBondContact N-O 3.36Å; E1271-R1786 VanDerWaalsContact O-CA 3.31Å; E1271-R1786 WeakPolarHBondContact O-CA 2.53Å; M1272-R1786 CovalentContact C-CA 1.29Å; M1272-R1786 CovalentContact C-CB 1.4Å; M1272-R1786 CarbonylContact C-O 3.48Å; M1272-R1786 CovalentContact CA-CA 1.01Å; M1272-R1786 CovalentContact CA-N 1.23Å; M1272-R1786 WeakPolarHBondContact CA-O 3.41Å; M1272-R1786 HydrophobicContact CB-CB 2.57Å; M1272-R1786 HydrophobicContact CB-CG 3.94Å; M1272-R1786 CovalentContact CB-N 0.62Å; M1272-R1786 WeakPolarHBondContact CB-O 3.13Å; M1272-R1786 VanDerWaalsContact CG-C 3.46Å; M1272-R1786 HydrophobicContact CG-CB 4.08Å; M1272-R1786 CovalentContact N-C 1.67Å; M1272-R1786 PolarHBondContact N-O 3.34Å; M1272-R1786 WeakPolarHBondContact O-CA 3.46Å; M1272-R1786 WeakPolarHBondContact O-CB 2.48Å; M1272-R1786 WeakPolarHBondContact O-CG 3.47Å; M1272-R1786 PolarHBondContact O-N 3.19Å; M1272-R1786 PolarHBondContact SD-N 2.75Å; Q1273-R1786 CovalentContact CA-CD 1.35Å; Q1273-R1786 CovalentContact CA-CG 0.78Å; Q1273-R1786 HydrophobicContact CB-CB 2.95Å; Q1273-R1786 CovalentContact CB-CD 1.2Å; Q1273-R1786 CovalentContact CB-CG 1.57Å; Q1273-R1786 HydrophobicContact CB-CG 1.57Å; Q1273-R1786 CovalentContact CD-CZ 0.49Å; Q1273-R1786 CovalentContact CD-NH1 1.15Å; Q1273-R1786 HydrophobicContact CG-CB 3.15Å; Q1273-R1786 CovalentContact CG-CD 1.44Å; Q1273-R1786 HydrophobicContact CG-CG 2.42Å; Q1273-R1786 CovalentContact CG-CZ 1.09Å; Q1273-R1786 CovalentContact CG-NE 0.48Å; Q1273-R1786 CovalentContact N-CB 1.1Å; Q1273-R1786 CovalentContact N-CG 0.95Å; Q1273-R1786 PolarHBondContact N-O 3.02Å; Q1273-R1786 CovalentContact NE2-NH2 0.9Å; Q1273-R1786 WeakPolarHBondContact O-CD 3.2Å; Q1273-R1786 WeakPolarHBondContact O-CG 3.4Å; Q1273-R1786 CovalentContact OE1-NH1 0.63Å; S1782-R1786 WeakPolarHBondContact O-CB 3.26Å; S1782-R1786 PolarHBondContact O-N 3.43Å; E1783-R1786 CarbonylContact O-C 3.3Å; E1783-R1786 PolarHBondContact O-N 3.07Å; E1783-R1786 IonicContact OE1-NH2 3.3Å; R1786-S1788 PolarHBondContact O-N 3.29Å; R1786-L1789 CarbonylContact O-C 3.47Å; R1786-L1789 PolarHBondContact O-N 3.48Å; R1786-E1790 IonicContact CZ-OE1 3.73Å; R1786-E1790 IonicContact CZ-OE2 3.27Å; R1786-E1790 IonicContact NH1-OE1 3.52Å; R1786-E1790 PolarHBondContact NH1-OE1 3.31Å; R1786-E1790 IonicContact NH1-OE2 2.83Å; R1786-E1790 WeakPolarHBondContact O-CB 3.28Å; R1786-E1790 PolarHBondContact O-N 3.37Å | |
| 1787 | V | 64.8 | Low | 59.3 | Low | 5 Ų | 5 | 70.8 Ų | 70.8 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | H | α-helix | 0 | -17.7 | 0 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | V1265 K1266 M1267 Q1268 E1269 T1270 M1272 E1783 K1791 | V1265-V1787 CarbonylContact C-O 3.47Å; V1265-V1787 HydrophobicContact CB-CG1 4.21Å; V1265-V1787 HydrophobicContact CG1-CG1 3.44Å; V1265-V1787 VanDerWaalsContact CG1-CG1 3.44Å; V1265-V1787 CarbonylContact O-C 3.54Å; V1265-V1787 WeakPolarHBondContact O-CA 3.35Å; V1265-V1787 WeakPolarHBondContact O-CB 3.37Å; V1265-V1787 CovalentContact O-CG1 1.7Å; V1265-V1787 WeakPolarHBondContact O-CG1 3.34Å; K1266-V1787 CarbonylContact C-O 3.49Å; M1267-V1787 CarbonylContact C-O 3.35Å; M1267-V1787 WeakPolarHBondContact CA-O 2.75Å; M1267-V1787 PolarHBondContact N-O 2.79Å; M1267-V1787 CarbonylContact O-C 3.56Å; Q1268-V1787 CovalentContact C-C 0.51Å; Q1268-V1787 VanDerWaalsContact C-CG1 3.4Å; Q1268-V1787 CarbonylContact C-O 3.56Å; Q1268-V1787 CovalentContact CA-O 1.27Å; Q1268-V1787 WeakPolarHBondContact CA-O 3.17Å; Q1268-V1787 HydrophobicContact CB-CB 4.27Å; Q1268-V1787 HydrophobicContact CB-CG1 4.06Å; Q1268-V1787 WeakPolarHBondContact CB-O 3.45Å; Q1268-V1787 PolarHBondContact N-O 3.24Å; Q1268-V1787 CarbonylContact O-C 3.35Å; Q1268-V1787 WeakPolarHBondContact O-CA 2.88Å; Q1268-V1787 WeakPolarHBondContact O-CB 3.41Å; Q1268-V1787 PolarHBondContact O-N 3.37Å; E1269-V1787 CarbonylContact C-O 3.34Å; E1269-V1787 CovalentContact CA-CA 0.87Å; E1269-V1787 CovalentContact CA-CB 1.54Å; E1269-V1787 WeakPolarHBondContact CA-O 3.21Å; E1269-V1787 VanDerWaalsContact CB-C 3.47Å; E1269-V1787 HydrophobicContact CB-CB 1.79Å; E1269-V1787 HydrophobicContact CB-CG1 2.1Å; E1269-V1787 CovalentContact CB-CG2 1.51Å; E1269-V1787 HydrophobicContact CB-CG2 1.51Å; E1269-V1787 VanDerWaalsContact CB-N 3.27Å; E1269-V1787 HydrophobicContact CG-CB 1.74Å; E1269-V1787 HydrophobicContact CG-CG1 2.15Å; E1269-V1787 CovalentContact CG-CG2 0.97Å; E1269-V1787 HydrophobicContact CG-CG2 0.97Å; E1269-V1787 CovalentContact N-C 1.1Å; E1269-V1787 CovalentContact N-CA 1.11Å; E1269-V1787 PolarHBondContact N-O 3.42Å; E1269-V1787 WeakPolarHBondContact O-CA 3.44Å; E1269-V1787 WeakPolarHBondContact O-CG2 2.63Å; E1269-V1787 PolarHBondContact O-N 3.03Å; E1269-V1787 WeakPolarHBondContact OE1-CG2 2.87Å; E1269-V1787 WeakPolarHBondContact OE2-CG1 3.31Å; E1269-V1787 WeakPolarHBondContact OE2-CG2 2.61Å; T1270-V1787 VanDerWaalsContact N-C 3.26Å; T1270-V1787 PolarHBondContact N-O 3.28Å; T1270-V1787 VanDerWaalsContact N-O 3.16Å; M1272-V1787 HydrophobicContact CE-CB 3.84Å; M1272-V1787 HydrophobicContact CE-CG2 4.14Å; E1783-V1787 WeakPolarHBondContact O-CB 3.45Å; E1783-V1787 WeakPolarHBondContact O-CG2 3.3Å; E1783-V1787 PolarHBondContact O-N 2.93Å; V1787-K1791 PolarHBondContact O-N 2.97Å | |
| 1788 | S | 57.5 | Low | 58.7 | Low | 29 Ų | 29 | 69.7 Ų | 69.7 | 20% | 0.203 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -82.9 | 0 | 172.4 | 159.5 | 0 | 0 | 0 | 0 | 111.4 | M1267 Q1268 E1269 E1271 R1786 Q1792 | M1267-S1788 CarbonylContact C-O 3.5Å; M1267-S1788 CarbonylContact O-C 3.5Å; Q1268-S1788 CovalentContact C-N 1.16Å; Q1268-S1788 WeakPolarHBondContact CA-O 3.26Å; Q1268-S1788 CovalentContact CB-CA 1.65Å; Q1268-S1788 VanDerWaalsContact CB-O 3.25Å; Q1268-S1788 WeakPolarHBondContact CB-O 3.28Å; Q1268-S1788 WeakPolarHBondContact CB-OG 2.96Å; Q1268-S1788 VanDerWaalsContact CG-N 3.32Å; Q1268-S1788 WeakPolarHBondContact CG-O 3.4Å; Q1268-S1788 WeakPolarHBondContact CG-OG 3.33Å; Q1268-S1788 VanDerWaalsContact N-N 3.11Å; Q1268-S1788 PolarHBondContact N-O 3.42Å; Q1268-S1788 PolarHBondContact NE2-OG 3.06Å; Q1268-S1788 CarbonylContact O-C 3.23Å; Q1268-S1788 WeakPolarHBondContact O-CA 3.07Å; Q1268-S1788 WeakPolarHBondContact O-CB 3.17Å; Q1268-S1788 CovalentContact O-N 1.2Å; Q1268-S1788 PolarHBondContact O-N 3.42Å; E1269-S1788 VanDerWaalsContact CA-N 3.27Å; E1271-S1788 WeakPolarHBondContact CB-O 3.38Å; R1786-S1788 PolarHBondContact O-N 3.29Å; S1788-Q1792 PolarHBondContact O-N 3.12Å |
| 1789 | L | 52.2 | Low | 58.5 | Low | 9 Ų | 9 | 74.4 Ų | 74.4 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | H | α-helix | 0 | -25.1 | 0 | -79.8 | 162.4 | 0 | 0 | 0 | 110.8 | M1267 Q1268 T1270 E1271 M1272 R1274 N1275 Q1785 R1786 Q1792 V1793 | M1267-L1789 CarbonylContact O-C 3.54Å; M1267-L1789 WeakPolarHBondContact O-CA 3.06Å; M1267-L1789 PolarHBondContact O-N 2.87Å; Q1268-L1789 PolarHBondContact O-N 3.13Å; T1270-L1789 CarbonylContact C-O 3.51Å; T1270-L1789 CarbonylContact O-C 3.26Å; E1271-L1789 CovalentContact CA-CA 1.59Å; E1271-L1789 CovalentContact CA-CB 1.39Å; E1271-L1789 WeakPolarHBondContact CA-O 3.24Å; E1271-L1789 CovalentContact CB-C 1.55Å; E1271-L1789 HydrophobicContact CB-CB 1.57Å; E1271-L1789 HydrophobicContact CB-CD1 3.88Å; E1271-L1789 HydrophobicContact CB-CD2 3.2Å; E1271-L1789 HydrophobicContact CB-CG 2.58Å; E1271-L1789 WeakPolarHBondContact CB-O 3.26Å; E1271-L1789 VanDerWaalsContact CD-CG 3.41Å; E1271-L1789 HydrophobicContact CG-CB 2.03Å; E1271-L1789 HydrophobicContact CG-CD1 3.95Å; E1271-L1789 HydrophobicContact CG-CD2 2.38Å; E1271-L1789 HydrophobicContact CG-CG 2.59Å; E1271-L1789 WeakPolarHBondContact CG-O 3.32Å; E1271-L1789 PolarHBondContact N-O 3.25Å; E1271-L1789 VanDerWaalsContact O-CA 3.29Å; E1271-L1789 WeakPolarHBondContact O-CA 3.07Å; E1271-L1789 WeakPolarHBondContact O-CB 2.73Å; E1271-L1789 CovalentContact O-CD1 1.86Å; E1271-L1789 WeakPolarHBondContact O-CD1 3.45Å; E1271-L1789 WeakPolarHBondContact O-CG 3.11Å; E1271-L1789 WeakPolarHBondContact OE1-CD2 3.3Å; E1271-L1789 WeakPolarHBondContact OE2-CA 3.11Å; E1271-L1789 PolarHBondContact OE2-N 3.47Å; E1271-L1789 VanDerWaalsContact OE2-N 3.09Å; M1272-L1789 VanDerWaalsContact N-CA 3.27Å; R1274-L1789 HydrophobicContact CB-CB 3.99Å; N1275-L1789 HydrophobicContact CB-CD1 2.38Å; N1275-L1789 HydrophobicContact CB-CG 3.86Å; N1275-L1789 CovalentContact CG-CD1 1.66Å; N1275-L1789 VanDerWaalsContact CG-CD2 3.46Å; N1275-L1789 WeakPolarHBondContact ND2-CD1 3.24Å; N1275-L1789 WeakPolarHBondContact ND2-CD2 2.29Å; N1275-L1789 WeakPolarHBondContact ND2-CG 3.45Å; N1275-L1789 WeakPolarHBondContact OD1-CD1 3.11Å; N1275-L1789 WeakPolarHBondContact OD1-CD2 3.3Å; N1275-L1789 VanDerWaalsContact OD1-CG 3.32Å; N1275-L1789 WeakPolarHBondContact OD1-CG 3.3Å; Q1785-L1789 PolarHBondContact O-N 2.88Å; Q1785-L1789 VanDerWaalsContact O-N 3.14Å; R1786-L1789 CarbonylContact O-C 3.47Å; R1786-L1789 PolarHBondContact O-N 3.48Å; L1789-Q1792 PolarHBondContact O-N 3.22Å; L1789-V1793 VanDerWaalsContact O-CG2 3.31Å; L1789-V1793 WeakPolarHBondContact O-CG2 3.3Å; L1789-V1793 PolarHBondContact O-N 2.9Å | |
| 1790 | E | 58.9 | Low | 58 | Low | 41 Ų | 41 | 77.2 Ų | 77.2 | 19% | 0.192 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -76.1 | -33.1 | 174.1 | -99.3 | 177.9 | 178.8 | 0 | 0 | 110 | K1266 M1267 T1270 E1271 Q1273 R1786 Q1792 V1793 K1794 | K1266-E1790 CarbonylContact O-C 3.42Å; K1266-E1790 VanDerWaalsContact O-C 3.24Å; K1266-E1790 WeakPolarHBondContact O-CB 3.31Å; M1267-E1790 CarbonylContact C-O 3.4Å; M1267-E1790 WeakPolarHBondContact CA-O 3.38Å; M1267-E1790 WeakPolarHBondContact CB-O 3.38Å; M1267-E1790 WeakPolarHBondContact CG-O 3.47Å; M1267-E1790 CarbonylContact O-C 2.91Å; M1267-E1790 WeakPolarHBondContact O-CA 3.42Å; M1267-E1790 WeakPolarHBondContact O-CB 3.32Å; M1267-E1790 PolarHBondContact O-N 3.09Å; T1270-E1790 CovalentContact CA-CB 1.25Å; T1270-E1790 CovalentContact CA-CG 1.19Å; T1270-E1790 WeakPolarHBondContact CA-OE1 2.35Å; T1270-E1790 WeakPolarHBondContact CA-OE2 3.42Å; T1270-E1790 CovalentContact CB-CB 1.04Å; T1270-E1790 CovalentContact CB-CG 1.06Å; T1270-E1790 VanDerWaalsContact CB-O 3.29Å; T1270-E1790 WeakPolarHBondContact CB-O 3.3Å; T1270-E1790 WeakPolarHBondContact CB-OE1 2.44Å; T1270-E1790 WeakPolarHBondContact CB-OE2 3.39Å; T1270-E1790 VanDerWaalsContact CG2-CA 3.42Å; T1270-E1790 HydrophobicContact CG2-CB 2.24Å; T1270-E1790 CovalentContact CG2-CD 1.88Å; T1270-E1790 HydrophobicContact CG2-CG 1.9Å; T1270-E1790 WeakPolarHBondContact CG2-OE1 3.41Å; T1270-E1790 WeakPolarHBondContact CG2-OE2 2.72Å; T1270-E1790 PolarHBondContact N-OE2 2.93Å; T1270-E1790 VanDerWaalsContact O-CA 3.29Å; T1270-E1790 WeakPolarHBondContact O-CA 3.49Å; T1270-E1790 VanDerWaalsContact O-CB 3.27Å; T1270-E1790 WeakPolarHBondContact O-CB 3.32Å; T1270-E1790 WeakPolarHBondContact O-CG 3.45Å; T1270-E1790 PolarHBondContact O-N 3.18Å; T1270-E1790 CovalentContact OG1-CA 1.41Å; T1270-E1790 WeakPolarHBondContact OG1-CA 3.37Å; T1270-E1790 CovalentContact OG1-CB 1.28Å; T1270-E1790 WeakPolarHBondContact OG1-CB 3.13Å; T1270-E1790 WeakPolarHBondContact OG1-CG 2.48Å; T1270-E1790 PolarHBondContact OG1-N 2.91Å; T1270-E1790 PolarHBondContact OG1-O 2.44Å; E1271-E1790 VanDerWaalsContact C-N 3.34Å; E1271-E1790 CovalentContact N-N 1.1Å; Q1273-E1790 HydrophobicContact CB-CG 4.44Å; Q1273-E1790 PolarHBondContact OE1-OE1 3.04Å; Q1273-E1790 PolarHBondContact OE1-OE2 3.17Å; R1786-E1790 IonicContact CZ-OE1 3.73Å; R1786-E1790 IonicContact CZ-OE2 3.27Å; R1786-E1790 IonicContact NH1-OE1 3.52Å; R1786-E1790 PolarHBondContact NH1-OE1 3.31Å; R1786-E1790 IonicContact NH1-OE2 2.83Å; R1786-E1790 WeakPolarHBondContact O-CB 3.28Å; R1786-E1790 PolarHBondContact O-N 3.37Å; E1790-Q1792 PolarHBondContact O-N 3.25Å; E1790-V1793 PolarHBondContact O-N 3.47Å; E1790-K1794 PolarHBondContact O-N 2.98Å |
| 1791 | K | 62 | Low | 57.8 | Low | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.009 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.9 | -20.2 | 172 | -137.9 | 179.8 | 179.6 | 179.9 | 0 | 112.4 | L1260 N1261 S1263 L1264 V1265 K1266 M1267 Q1268 T1270 V1787 E1795 | L1260-K1791 WeakPolarHBondContact O-CE 3.32Å; L1260-K1791 PolarHBondContact O-NZ 3.26Å; N1261-K1791 WeakPolarHBondContact O-CE 3.25Å; N1261-K1791 CovalentContact O-NZ 1.78Å; N1261-K1791 PolarHBondContact O-NZ 3.06Å; N1261-K1791 PolarHBondContact OD1-NZ 2.85Å; S1263-K1791 VanDerWaalsContact O-CA 3.26Å; S1263-K1791 WeakPolarHBondContact O-CA 3.07Å; S1263-K1791 WeakPolarHBondContact O-CB 3.48Å; S1263-K1791 WeakPolarHBondContact O-CD 3.49Å; S1263-K1791 WeakPolarHBondContact O-CE 3.06Å; S1263-K1791 WeakPolarHBondContact O-CG 3.37Å; L1264-K1791 CovalentContact C-CD 0.66Å; L1264-K1791 CovalentContact CA-CD 1.05Å; L1264-K1791 CovalentContact CA-CE 1.41Å; L1264-K1791 CovalentContact CA-CG 1.37Å; L1264-K1791 HydrophobicContact CB-CB 3.82Å; L1264-K1791 CovalentContact CB-CD 1.88Å; L1264-K1791 HydrophobicContact CB-CD 1.88Å; L1264-K1791 HydrophobicContact CB-CG 2.81Å; L1264-K1791 HydrophobicContact CD1-CD 4.34Å; L1264-K1791 HydrophobicContact CD2-CB 4.35Å; L1264-K1791 HydrophobicContact CD2-CD 3.58Å; L1264-K1791 HydrophobicContact CD2-CG 4.19Å; L1264-K1791 HydrophobicContact CG-CB 4.12Å; L1264-K1791 HydrophobicContact CG-CD 3.02Å; L1264-K1791 HydrophobicContact CG-CG 3.47Å; L1264-K1791 VanDerWaalsContact CG-CG 3.47Å; L1264-K1791 CovalentContact N-CE 1.38Å; L1264-K1791 VanDerWaalsContact O-CA 3.23Å; L1264-K1791 WeakPolarHBondContact O-CA 3.33Å; L1264-K1791 WeakPolarHBondContact O-CB 3.42Å; L1264-K1791 WeakPolarHBondContact O-CD 3.31Å; L1264-K1791 WeakPolarHBondContact O-CE 3.41Å; L1264-K1791 WeakPolarHBondContact O-CG 3.47Å; V1265-K1791 VanDerWaalsContact CA-CE 3.49Å; V1265-K1791 HydrophobicContact CB-CD 4.25Å; K1266-K1791 PolarHBondContact O-N 3.18Å; M1267-K1791 CovalentContact C-N 1.04Å; M1267-K1791 CovalentContact CA-CA 1.22Å; M1267-K1791 CovalentContact CA-N 1.01Å; M1267-K1791 CovalentContact CB-C 1.41Å; M1267-K1791 CovalentContact CB-CA 0.56Å; M1267-K1791 HydrophobicContact CB-CB 1.8Å; M1267-K1791 HydrophobicContact CB-CD 3.96Å; M1267-K1791 HydrophobicContact CB-CG 2.49Å; M1267-K1791 WeakPolarHBondContact CB-O 3.26Å; M1267-K1791 VanDerWaalsContact CE-CA 3.45Å; M1267-K1791 HydrophobicContact CE-CB 3.62Å; M1267-K1791 HydrophobicContact CE-CG 4.11Å; M1267-K1791 WeakPolarHBondContact CE-O 3.41Å; M1267-K1791 CovalentContact CG-C 0.92Å; M1267-K1791 CovalentContact CG-CA 1.73Å; M1267-K1791 HydrophobicContact CG-CB 3.1Å; M1267-K1791 HydrophobicContact CG-CG 3.95Å; M1267-K1791 WeakPolarHBondContact CG-O 3.26Å; M1267-K1791 CarbonylContact O-C 3.12Å; M1267-K1791 WeakPolarHBondContact O-CA 3.32Å; M1267-K1791 WeakPolarHBondContact O-CB 3.22Å; M1267-K1791 PolarHBondContact O-N 2.9Å; M1267-K1791 WeakPolarHBondContact SD-CA 3.31Å; M1267-K1791 HydrophobicContact SD-CB 4.02Å; M1267-K1791 HydrophobicContact SD-CG 4.48Å; M1267-K1791 CovalentContact SD-O 0.81Å; Q1268-K1791 HydrophobicContact CB-CB 3.99Å; Q1268-K1791 HydrophobicContact CG-CB 4.07Å; T1270-K1791 PolarHBondContact OG1-N 3.23Å; V1787-K1791 PolarHBondContact O-N 2.97Å; K1791-E1795 PolarHBondContact O-N 3.12Å; K1791-E1795 VanDerWaalsContact O-N 3.13Å |
| 1792 | Q | 52.8 | Low | 57.8 | Low | 96 Ų | 96 | 74.1 Ų | 74.1 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -84.8 | -31 | 171.7 | -93.4 | 177.9 | 8.1 | 0 | 0 | 111.2 | M1267 E1271 S1788 L1789 E1790 L1796 | M1267-Q1792 VanDerWaalsContact CA-N 3.34Å; M1267-Q1792 HydrophobicContact CE-CB 3.64Å; M1267-Q1792 HydrophobicContact CE-CG 3.55Å; M1267-Q1792 HydrophobicContact CG-CB 3.92Å; M1267-Q1792 PolarHBondContact O-N 3.11Å; M1267-Q1792 VanDerWaalsContact O-N 3.14Å; M1267-Q1792 WeakPolarHBondContact SD-CA 2.41Å; M1267-Q1792 HydrophobicContact SD-CB 3.93Å; M1267-Q1792 HydrophobicContact SD-CG 4.5Å; M1267-Q1792 PolarHBondContact SD-N 3.3Å; E1271-Q1792 HydrophobicContact CB-CB 4.37Å; E1271-Q1792 HydrophobicContact CG-CB 3.53Å; E1271-Q1792 HydrophobicContact CG-CG 4.43Å; E1271-Q1792 WeakPolarHBondContact OE1-CB 3.33Å; E1271-Q1792 WeakPolarHBondContact OE1-CG 3.04Å; E1271-Q1792 CovalentContact OE1-OE1 1.37Å; E1271-Q1792 PolarHBondContact OE1-OE1 3.41Å; E1271-Q1792 WeakPolarHBondContact OE2-CB 3.3Å; E1271-Q1792 WeakPolarHBondContact OE2-CG 3.47Å; E1271-Q1792 PolarHBondContact OE2-NE2 2.93Å; E1271-Q1792 PolarHBondContact OE2-OE1 3.34Å; S1788-Q1792 PolarHBondContact O-N 3.12Å; L1789-Q1792 PolarHBondContact O-N 3.22Å; E1790-Q1792 PolarHBondContact O-N 3.25Å; Q1792-L1796 WeakPolarHBondContact O-CG 3.37Å; Q1792-L1796 PolarHBondContact O-N 3.18Å; Q1792-L1796 VanDerWaalsContact O-N 3.11Å |
| 1793 | V | 55.6 | Low | 57.9 | Low | 36 Ų | 36 | 77.8 Ų | 77.8 | 22% | 0.218 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -74.8 | -29.8 | 171.8 | 171.8 | 0 | 0 | 0 | 0 | 110 | M1267 R1274 L1789 E1790 L1796 R1797 | M1267-V1793 PolarHBondContact SD-N 3.4Å; M1267-V1793 VanDerWaalsContact SD-N 3.41Å; R1274-V1793 VanDerWaalsContact CD-CG2 3.49Å; L1789-V1793 VanDerWaalsContact O-CG2 3.31Å; L1789-V1793 WeakPolarHBondContact O-CG2 3.3Å; L1789-V1793 PolarHBondContact O-N 2.9Å; E1790-V1793 PolarHBondContact O-N 3.47Å; V1793-L1796 PolarHBondContact O-N 2.38Å; V1793-R1797 WeakPolarHBondContact O-CB 3.23Å; V1793-R1797 PolarHBondContact O-N 2.82Å |
| 1794 | K | 62.7 | Low | 57.7 | Low | 78 Ų | 78 | 81.6 Ų | 81.6 | 34% | 0.339 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -78.3 | -27.5 | 174.4 | -153.6 | 177.4 | 179.7 | -176 | 0 | 111.6 | S1263 M1267 E1790 L1796 R1797 D1798 | S1263-K1794 WeakPolarHBondContact OG-CD 3.14Å; M1267-K1794 HydrophobicContact CB-CB 4.03Å; M1267-K1794 HydrophobicContact CG-CB 3.85Å; M1267-K1794 HydrophobicContact SD-CB 4.23Å; M1267-K1794 PolarHBondContact SD-N 3.18Å; E1790-K1794 PolarHBondContact O-N 2.98Å; K1794-L1796 VanDerWaalsContact C-N 3.31Å; K1794-L1796 PolarHBondContact O-N 3.5Å; K1794-R1797 CarbonylContact O-C 3.41Å; K1794-R1797 PolarHBondContact O-N 3.02Å; K1794-D1798 WeakPolarHBondContact O-CB 3.46Å; K1794-D1798 PolarHBondContact O-N 3.27Å |
| 1795 | E | 58.8 | Low | 57.1 | Low | 68 Ų | 68 | 86.2 Ų | 86.2 | 32% | 0.318 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -76.6 | 0 | 171.3 | -101 | 178.3 | 178.9 | 0 | 0 | 110.1 | L1260 L1264 M1267 K1791 R1799 | L1260-E1795 HydrophobicContact CD1-CG 4.34Å; L1264-E1795 WeakPolarHBondContact CD1-OE1 3.34Å; M1267-E1795 HydrophobicContact CE-CB 3.59Å; M1267-E1795 HydrophobicContact CE-CG 3.84Å; M1267-E1795 WeakPolarHBondContact CE-OE2 3.44Å; M1267-E1795 WeakPolarHBondContact SD-CA 3.48Å; M1267-E1795 HydrophobicContact SD-CB 3.03Å; M1267-E1795 WeakPolarHBondContact SD-CB 3.09Å; M1267-E1795 HydrophobicContact SD-CG 3.71Å; M1267-E1795 PolarHBondContact SD-N 2.88Å; K1791-E1795 PolarHBondContact O-N 3.12Å; K1791-E1795 VanDerWaalsContact O-N 3.13Å; E1795-R1799 WeakPolarHBondContact O-CB 3.25Å; E1795-R1799 PolarHBondContact O-N 3.48Å |
| 1796 | L | 52.2 | Low | 57 | Low | 114 Ų | 114 | 88.7 Ų | 88.7 | 60% | 0.597 | 42% | 0.422 | S | S | * | . | H | α-helix | 0 | -23.1 | 0 | -76.4 | 171.2 | 0 | 0 | 0 | 110.6 | Q1792 V1793 K1794 R1799 L1800 | Q1792-L1796 WeakPolarHBondContact O-CG 3.37Å; Q1792-L1796 PolarHBondContact O-N 3.18Å; Q1792-L1796 VanDerWaalsContact O-N 3.11Å; V1793-L1796 PolarHBondContact O-N 2.38Å; K1794-L1796 VanDerWaalsContact C-N 3.31Å; K1794-L1796 PolarHBondContact O-N 3.5Å; L1796-R1799 PolarHBondContact O-N 3.07Å; L1796-L1800 VanDerWaalsContact O-CB 3.31Å; L1796-L1800 WeakPolarHBondContact O-CB 3.37Å; L1796-L1800 PolarHBondContact O-N 3.18Å | |
| 1797 | R | 58.5 | Low | 56.5 | Low | 166 Ų | 166 | 88.9 Ų | 88.9 | 63% | 0.626 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -78.3 | -34.3 | 171.6 | -99.3 | -176.1 | -167.4 | 152.5 | -0.7 | 110.6 | V1793 K1794 R1799 L1800 V1801 | V1793-R1797 WeakPolarHBondContact O-CB 3.23Å; V1793-R1797 PolarHBondContact O-N 2.82Å; K1794-R1797 CarbonylContact O-C 3.41Å; K1794-R1797 PolarHBondContact O-N 3.02Å; R1797-R1799 VanDerWaalsContact C-N 3.31Å; R1797-R1799 PolarHBondContact O-N 3.45Å; R1797-L1800 CarbonylContact O-C 3.48Å; R1797-L1800 WeakPolarHBondContact O-CA 3.49Å; R1797-L1800 VanDerWaalsContact O-CB 3.31Å; R1797-L1800 WeakPolarHBondContact O-CB 3.21Å; R1797-L1800 PolarHBondContact O-N 3.35Å; R1797-L1800 VanDerWaalsContact O-N 3.1Å; R1797-V1801 WeakPolarHBondContact O-CG2 3.41Å; R1797-V1801 PolarHBondContact O-N 3.41Å |
| 1798 | D | 56.7 | Low | 56 | Low | 82 Ų | 82 | 91.9 Ų | 91.9 | 44% | 0.439 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -75.8 | -19.9 | 175.5 | -78.6 | -16.5 | 0 | 0 | 0 | 110.1 | K1794 L1800 V1801 E1802 | K1794-D1798 WeakPolarHBondContact O-CB 3.46Å; K1794-D1798 PolarHBondContact O-N 3.27Å; D1798-L1800 VanDerWaalsContact C-N 3.31Å; D1798-V1801 PolarHBondContact O-N 2.98Å; D1798-E1802 PolarHBondContact O-N 2.8Å; D1798-E1802 VanDerWaalsContact O-N 3.08Å |
| 1799 | R | 57.3 | Low | 55.5 | Low | 181 Ų | 181 | 102.7 Ų | 102.7 | 68% | 0.683 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -81.8 | -20.1 | 168.1 | -91.4 | -177.9 | -172.5 | 177.8 | -0.5 | 110.6 | E1795 L1796 R1797 V1803 | E1795-R1799 WeakPolarHBondContact O-CB 3.25Å; E1795-R1799 PolarHBondContact O-N 3.48Å; L1796-R1799 PolarHBondContact O-N 3.07Å; R1797-R1799 VanDerWaalsContact C-N 3.31Å; R1797-R1799 PolarHBondContact O-N 3.45Å; R1799-V1803 WeakPolarHBondContact O-CB 3.48Å; R1799-V1803 WeakPolarHBondContact O-CG2 3.4Å; R1799-V1803 PolarHBondContact O-N 3.33Å |
| 1800 | L | 49.1 | Very low | 55.5 | Low | 106 Ų | 106 | 111.6 Ų | 111.6 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -82.3 | -22.8 | 172 | -159.3 | 92 | 0 | 0 | 0 | 110.6 | L1796 R1797 D1798 V1803 E1804 | L1796-L1800 VanDerWaalsContact O-CB 3.31Å; L1796-L1800 WeakPolarHBondContact O-CB 3.37Å; L1796-L1800 PolarHBondContact O-N 3.18Å; R1797-L1800 CarbonylContact O-C 3.48Å; R1797-L1800 WeakPolarHBondContact O-CA 3.49Å; R1797-L1800 VanDerWaalsContact O-CB 3.31Å; R1797-L1800 WeakPolarHBondContact O-CB 3.21Å; R1797-L1800 PolarHBondContact O-N 3.35Å; R1797-L1800 VanDerWaalsContact O-N 3.1Å; D1798-L1800 VanDerWaalsContact C-N 3.31Å; L1800-V1803 PolarHBondContact O-N 3.13Å; L1800-E1804 WeakPolarHBondContact O-CB 3.43Å; L1800-E1804 WeakPolarHBondContact O-CG 3.37Å; L1800-E1804 PolarHBondContact O-N 2.34Å |
| 1801 | V | 61 | Low | 55.3 | Low | 77 Ų | 77 | 110.9 Ų | 110.9 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -90.2 | -22.5 | 177.3 | 170.8 | 0 | 0 | 0 | 0 | 108.9 | R1797 D1798 V1803 E1804 K1805 | R1797-V1801 WeakPolarHBondContact O-CG2 3.41Å; R1797-V1801 PolarHBondContact O-N 3.41Å; D1798-V1801 PolarHBondContact O-N 2.98Å; V1801-V1803 VanDerWaalsContact C-N 3.27Å; V1801-V1803 PolarHBondContact O-N 2.89Å; V1801-E1804 PolarHBondContact O-N 2.72Å; V1801-K1805 PolarHBondContact O-N 2.85Å |
| 1802 | E | 58.1 | Low | 54.8 | Low | 150 Ų | 150 | 120.4 Ų | 120.4 | 70% | 0.701 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -80.8 | 0 | 171.7 | -106.2 | -178.2 | 177.7 | 0 | 0 | 110.8 | D1798 | D1798-E1802 PolarHBondContact O-N 2.8Å; D1798-E1802 VanDerWaalsContact O-N 3.08Å |
| 1803 | V | 59.2 | Low | 54.7 | Low | 108 Ų | 108 | 119.1 Ų | 119.1 | 66% | 0.655 | 58% | 0.582 | S | S | * | * | H | α-helix | 0 | -12.7 | 0 | 171.9 | 0 | 0 | 0 | 0 | 109.2 | R1799 L1800 V1801 | R1799-V1803 WeakPolarHBondContact O-CB 3.48Å; R1799-V1803 WeakPolarHBondContact O-CG2 3.4Å; R1799-V1803 PolarHBondContact O-N 3.33Å; L1800-V1803 PolarHBondContact O-N 3.13Å; V1801-V1803 VanDerWaalsContact C-N 3.27Å; V1801-V1803 PolarHBondContact O-N 2.89Å | |
| 1804 | E | 55.8 | Low | 54.6 | Low | 132 Ų | 132 | 121.7 Ų | 121.7 | 62% | 0.617 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -91 | -12.1 | 172.7 | -91.3 | 179.6 | 170.5 | 0 | 0 | 110.9 | L1800 V1801 | L1800-E1804 WeakPolarHBondContact O-CB 3.43Å; L1800-E1804 WeakPolarHBondContact O-CG 3.37Å; L1800-E1804 PolarHBondContact O-N 2.34Å; V1801-E1804 PolarHBondContact O-N 2.72Å |
| 1805 | K | 51.7 | Low | 54.4 | Low | 191 Ų | 191 | 122.8 Ų | 122.8 | 83% | 0.83 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -100.5 | 3.8 | 175.1 | -110.6 | -176.7 | -179.7 | -179.7 | 0 | 110.1 | V1801 | V1801-K1805 PolarHBondContact O-N 2.85Å |
| 1806 | E | 52.9 | Low | 54.7 | Low | 172 Ų | 172 | 122.8 Ų | 122.8 | 80% | 0.804 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -115.3 | 0 | 169.8 | -98.7 | 179.6 | 176.7 | 0 | 0 | 110.2 | ||
| 1807 | G | 49.8 | Very low | 55 | Low | 24 Ų | 24 | 120.9 Ų | 120.9 | 25% | 0.247 | 61% | 0.605 | C | S | . | * | T | Hydrogen-bonded Turn | 0 | 29.5 | 0 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||
| 1808 | G | 52.6 | Low | 54.9 | Low | 68 Ų | 68 | 117.3 Ų | 117.3 | 70% | 0.701 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 12.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1809 | R | 48.5 | Very low | 55.4 | Low | 255 Ų | 255 | 120 Ų | 120 | 96% | 0.962 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | 0 | 166.9 | -91.7 | -175.1 | -166.2 | -166.6 | -1.3 | 109.9 | ||
| 1810 | R | 51.4 | Low | 55.9 | Low | 196 Ų | 196 | 114 Ų | 114 | 74% | 0.74 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | 0 | 10.4 | 0 | -110.9 | -178.4 | -162.6 | -175.9 | 0.6 | 110 | K1812 A1813 Q1814 | R1810-K1812 PolarHBondContact O-N 2.71Å; R1810-A1813 PolarHBondContact O-N 3.43Å; R1810-Q1814 PolarHBondContact O-N 3.33Å | |
| 1811 | G | 54 | Low | 56.4 | Low | 26 Ų | 26 | 116.5 Ų | 116.5 | 27% | 0.268 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -77.6 | -0.1 | -174 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1815 | G1811-I1815 WeakPolarHBondContact O-CG1 3.43Å |
| 1812 | K | 51.6 | Low | 56.5 | Low | 202 Ų | 202 | 118.5 Ų | 118.5 | 88% | 0.878 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -118.5 | -2.4 | 172.3 | -96.8 | -175.9 | -178.2 | 178.9 | 0 | 110 | R1810 | R1810-K1812 PolarHBondContact O-N 2.71Å |
| 1813 | A | 51.3 | Low | 57.2 | Low | 70 Ų | 70 | 115.8 Ų | 115.8 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -109.7 | 0 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R1810 T1817 | R1810-A1813 PolarHBondContact O-N 3.43Å; A1813-T1817 PolarHBondContact O-N 2.74Å; A1813-T1817 PolarHBondContact O-OG1 3.24Å |
| 1814 | Q | 54.3 | Low | 57.7 | Low | 89 Ų | 89 | 113.4 Ų | 113.4 | 42% | 0.416 | 59% | 0.586 | S | S | . | * | H | α-helix | 0 | -9.8 | 0 | -110.6 | 171.5 | 3 | 0 | 0 | 111 | R1810 L1818 | R1810-Q1814 PolarHBondContact O-N 3.33Å; Q1814-L1818 WeakPolarHBondContact O-CB 3.47Å; Q1814-L1818 WeakPolarHBondContact O-CD1 3.26Å; Q1814-L1818 WeakPolarHBondContact O-CG 3.32Å; Q1814-L1818 PolarHBondContact O-N 3.02Å | |
| 1815 | I | 58 | Low | 57.8 | Low | 102 Ų | 102 | 111.8 Ų | 111.8 | 52% | 0.523 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -92.4 | -25.1 | 173.5 | -72.7 | 175.4 | 0 | 0 | 0 | 108.8 | G1811 T1817 L1818 E1819 | G1811-I1815 WeakPolarHBondContact O-CG1 3.43Å; I1815-T1817 VanDerWaalsContact C-N 3.29Å; I1815-T1817 PolarHBondContact O-N 3.18Å; I1815-L1818 PolarHBondContact O-N 3.47Å; I1815-E1819 PolarHBondContact O-N 2.79Å |
| 1816 | A | 65.3 | Low | 58.7 | Low | 68 Ų | 68 | 107.9 Ų | 107.9 | 56% | 0.562 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -81.5 | 0 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | A1820 | A1816-A1820 PolarHBondContact O-N 3.04Å |
| 1817 | T | 58.7 | Low | 59.7 | Low | 74 Ų | 74 | 106.6 Ų | 106.6 | 45% | 0.454 | 56% | 0.563 | S | S | . | * | H | α-helix | 0 | -21.6 | 0 | -21.9 | 0 | 0 | 0 | 0 | 110.2 | A1813 I1815 A1820 R1821 | A1813-T1817 PolarHBondContact O-N 2.74Å; A1813-T1817 PolarHBondContact O-OG1 3.24Å; I1815-T1817 VanDerWaalsContact C-N 3.29Å; I1815-T1817 PolarHBondContact O-N 3.18Å; T1817-A1820 PolarHBondContact O-N 3.15Å; T1817-R1821 VanDerWaalsContact O-CB 3.23Å; T1817-R1821 WeakPolarHBondContact O-CB 3.14Å; T1817-R1821 PolarHBondContact O-N 3.25Å | |
| 1818 | L | 55.6 | Low | 60.1 | Low | 90 Ų | 90 | 111 Ų | 111 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -82.2 | -22.9 | 177.1 | -79 | 169.6 | 0 | 0 | 0 | 110.5 | Q1814 I1815 R1821 L1822 | Q1814-L1818 WeakPolarHBondContact O-CB 3.47Å; Q1814-L1818 WeakPolarHBondContact O-CD1 3.26Å; Q1814-L1818 WeakPolarHBondContact O-CG 3.32Å; Q1814-L1818 PolarHBondContact O-N 3.02Å; I1815-L1818 PolarHBondContact O-N 3.47Å; L1818-R1821 PolarHBondContact O-N 2.86Å; L1818-L1822 PolarHBondContact O-N 3.06Å |
| 1819 | E | 68.3 | Low | 60.5 | Low | 139 Ų | 139 | 111.9 Ų | 111.9 | 65% | 0.65 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -80.6 | -24.6 | 172.4 | -79 | 177.5 | 169.2 | 0 | 0 | 110.3 | I1815 R1821 L1822 T1823 | I1815-E1819 PolarHBondContact O-N 2.79Å; E1819-R1821 VanDerWaalsContact C-N 3.31Å; E1819-L1822 PolarHBondContact O-N 2.71Å; E1819-T1823 PolarHBondContact O-OG1 3.35Å; E1819-T1823 VanDerWaalsContact O-OG1 3.08Å |
| 1820 | A | 66.8 | Low | 61.6 | Low | 54 Ų | 54 | 105.1 Ų | 105.1 | 45% | 0.446 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -82.7 | 0 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A1816 T1817 T1823 T1824 | A1816-A1820 PolarHBondContact O-N 3.04Å; T1817-A1820 PolarHBondContact O-N 3.15Å; A1820-T1823 WeakPolarHBondContact CA-OG1 3.36Å; A1820-T1823 PolarHBondContact O-OG1 3.03Å; A1820-T1824 WeakPolarHBondContact O-CB 3.08Å; A1820-T1824 PolarHBondContact O-N 2.61Å; A1820-T1824 PolarHBondContact O-OG1 2.98Å |
| 1821 | R | 59.1 | Low | 62.2 | Low | 160 Ų | 160 | 98.2 Ų | 98.2 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | H | α-helix | 0 | -19.1 | 0 | -101.8 | 179.8 | -176.7 | 177.3 | 0.7 | 110.3 | T1817 L1818 E1819 T1824 L1825 | T1817-R1821 VanDerWaalsContact O-CB 3.23Å; T1817-R1821 WeakPolarHBondContact O-CB 3.14Å; T1817-R1821 PolarHBondContact O-N 3.25Å; L1818-R1821 PolarHBondContact O-N 2.86Å; E1819-R1821 VanDerWaalsContact C-N 3.31Å; R1821-T1824 WeakPolarHBondContact CA-OG1 3.19Å; R1821-T1824 PolarHBondContact N-OG1 2.73Å; R1821-T1824 CarbonylContact O-C 3.41Å; R1821-T1824 PolarHBondContact O-N 3.1Å; R1821-T1824 PolarHBondContact O-OG1 3.26Å; R1821-L1825 WeakPolarHBondContact O-CA 3.32Å; R1821-L1825 WeakPolarHBondContact O-CB 3.36Å; R1821-L1825 WeakPolarHBondContact O-CD1 3.5Å; R1821-L1825 WeakPolarHBondContact O-CG 3.42Å; R1821-L1825 PolarHBondContact O-N 3.47Å | |
| 1822 | L | 63.8 | Low | 62.4 | Low | 118 Ų | 118 | 102.6 Ų | 102.6 | 62% | 0.618 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -80 | -29.6 | 174.3 | -105.9 | 153.1 | 0 | 0 | 0 | 110.1 | L1818 E1819 T1824 L1825 D1826 | L1818-L1822 PolarHBondContact O-N 3.06Å; E1819-L1822 PolarHBondContact O-N 2.71Å; L1822-T1824 VanDerWaalsContact C-N 3.3Å; L1822-L1825 PolarHBondContact O-N 3.26Å; L1822-D1826 PolarHBondContact O-N 3.42Å |
| 1823 | T | 73.4 | Confident | 63 | Low | 94 Ų | 94 | 99 Ų | 99 | 58% | 0.577 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -79 | -21.7 | 172.9 | 23 | 0 | 0 | 0 | 0 | 110.1 | E1819 A1820 D1826 E1827 | E1819-T1823 PolarHBondContact O-OG1 3.35Å; E1819-T1823 VanDerWaalsContact O-OG1 3.08Å; A1820-T1823 WeakPolarHBondContact CA-OG1 3.36Å; A1820-T1823 PolarHBondContact O-OG1 3.03Å; T1823-D1826 PolarHBondContact O-N 2.9Å; T1823-E1827 PolarHBondContact O-N 2.91Å; T1823-E1827 VanDerWaalsContact O-N 3.08Å |
| 1824 | T | 68.7 | Low | 63.9 | Low | 58 Ų | 58 | 101 Ų | 101 | 36% | 0.356 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -86.3 | -25.1 | 174.8 | 0.4 | 0 | 0 | 0 | 0 | 110.2 | A1820 R1821 L1822 E1827 Q1828 | A1820-T1824 WeakPolarHBondContact O-CB 3.08Å; A1820-T1824 PolarHBondContact O-N 2.61Å; A1820-T1824 PolarHBondContact O-OG1 2.98Å; R1821-T1824 WeakPolarHBondContact CA-OG1 3.19Å; R1821-T1824 PolarHBondContact N-OG1 2.73Å; R1821-T1824 CarbonylContact O-C 3.41Å; R1821-T1824 PolarHBondContact O-N 3.1Å; R1821-T1824 PolarHBondContact O-OG1 3.26Å; L1822-T1824 VanDerWaalsContact C-N 3.3Å; T1824-E1827 CarbonylContact O-C 3.49Å; T1824-E1827 PolarHBondContact O-N 3.28Å; T1824-Q1828 WeakPolarHBondContact O-CA 3.32Å; T1824-Q1828 WeakPolarHBondContact O-CB 3.4Å; T1824-Q1828 WeakPolarHBondContact O-CG 3.27Å; T1824-Q1828 PolarHBondContact O-N 2.86Å |
| 1825 | L | 58.9 | Low | 64.2 | Low | 97 Ų | 97 | 103 Ų | 103 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -79.6 | 0 | 177 | -87 | 163.1 | 0 | 0 | 0 | 109.9 | R1821 L1822 Q1828 L1829 | R1821-L1825 WeakPolarHBondContact O-CA 3.32Å; R1821-L1825 WeakPolarHBondContact O-CB 3.36Å; R1821-L1825 WeakPolarHBondContact O-CD1 3.5Å; R1821-L1825 WeakPolarHBondContact O-CG 3.42Å; R1821-L1825 PolarHBondContact O-N 3.47Å; L1822-L1825 PolarHBondContact O-N 3.26Å; L1825-Q1828 CarbonylContact O-C 3.55Å; L1825-Q1828 PolarHBondContact O-N 3.04Å; L1825-Q1828 VanDerWaalsContact O-N 3.15Å; L1825-L1829 WeakPolarHBondContact O-CB 3.27Å; L1825-L1829 PolarHBondContact O-N 1.93Å |
| 1826 | D | 70.7 | Confident | 64.4 | Low | 110 Ų | 110 | 105.6 Ų | 105.6 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -110 | -7.2 | 0 | 0 | 0 | 110.5 | L1822 T1823 Q1828 L1829 E1830 | L1822-D1826 PolarHBondContact O-N 3.42Å; T1823-D1826 PolarHBondContact O-N 2.9Å; D1826-Q1828 VanDerWaalsContact C-N 3.27Å; D1826-L1829 PolarHBondContact O-N 3.49Å; D1826-E1830 PolarHBondContact O-N 3.19Å | |
| 1827 | E | 72.9 | Confident | 64.6 | Low | 145 Ų | 145 | 107.8 Ų | 107.8 | 68% | 0.678 | 55% | 0.546 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -91.6 | 175.2 | -178.8 | 0 | 0 | 110.8 | T1823 T1824 E1830 A1831 | T1823-E1827 PolarHBondContact O-N 2.91Å; T1823-E1827 VanDerWaalsContact O-N 3.08Å; T1824-E1827 CarbonylContact O-C 3.49Å; T1824-E1827 PolarHBondContact O-N 3.28Å; E1827-E1830 PolarHBondContact O-N 3.36Å; E1827-A1831 WeakPolarHBondContact O-CB 3.06Å; E1827-A1831 PolarHBondContact O-N 3.47Å | |
| 1828 | Q | 58.7 | Low | 65 | Low | 116 Ų | 116 | 108.1 Ų | 108.1 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | 0 | -19.2 | 0 | -82.6 | -176.3 | -8.6 | 0 | 0 | 110.2 | T1824 L1825 D1826 A1831 E1832 | T1824-Q1828 WeakPolarHBondContact O-CA 3.32Å; T1824-Q1828 WeakPolarHBondContact O-CB 3.4Å; T1824-Q1828 WeakPolarHBondContact O-CG 3.27Å; T1824-Q1828 PolarHBondContact O-N 2.86Å; L1825-Q1828 CarbonylContact O-C 3.55Å; L1825-Q1828 PolarHBondContact O-N 3.04Å; L1825-Q1828 VanDerWaalsContact O-N 3.15Å; D1826-Q1828 VanDerWaalsContact C-N 3.27Å; Q1828-A1831 CarbonylContact O-C 3.47Å; Q1828-A1831 PolarHBondContact O-N 2.98Å; Q1828-E1832 VanDerWaalsContact O-CA 3.28Å; Q1828-E1832 WeakPolarHBondContact O-CA 2.96Å; Q1828-E1832 WeakPolarHBondContact O-CB 3.02Å; Q1828-E1832 PolarHBondContact O-N 3.39Å | |
| 1829 | L | 59.8 | Low | 65.3 | Low | 86 Ų | 86 | 106.3 Ų | 106.3 | 45% | 0.45 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -79.9 | -33.8 | 173.5 | -172.8 | 82.5 | 0 | 0 | 0 | 109.7 | L1825 D1826 A1831 E1832 K1833 | L1825-L1829 WeakPolarHBondContact O-CB 3.27Å; L1825-L1829 PolarHBondContact O-N 1.93Å; D1826-L1829 PolarHBondContact O-N 3.49Å; L1829-A1831 VanDerWaalsContact C-N 3.32Å; L1829-E1832 CarbonylContact O-C 3.41Å; L1829-E1832 PolarHBondContact O-N 2.85Å; L1829-K1833 WeakPolarHBondContact O-CB 3.35Å; L1829-K1833 PolarHBondContact O-N 3.37Å |
| 1830 | E | 71.3 | Confident | 65 | Low | 113 Ų | 113 | 102.5 Ų | 102.5 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.7 | 0 | 172.7 | -95.7 | -62 | 159.3 | 0 | 0 | 110.7 | D1826 E1827 E1832 K1833 L1834 | D1826-E1830 PolarHBondContact O-N 3.19Å; E1827-E1830 PolarHBondContact O-N 3.36Å; E1830-E1832 VanDerWaalsContact C-N 3.31Å; E1830-K1833 PolarHBondContact O-N 2.8Å; E1830-L1834 WeakPolarHBondContact O-CB 3.43Å; E1830-L1834 PolarHBondContact O-N 2.66Å |
| 1831 | A | 65.9 | Low | 65 | Low | 52 Ų | 52 | 106 Ų | 106 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | 0 | -21.5 | 0 | 0 | 0 | 0 | 0 | 0 | 110.2 | E1827 Q1828 L1829 L1834 E1835 | E1827-A1831 WeakPolarHBondContact O-CB 3.06Å; E1827-A1831 PolarHBondContact O-N 3.47Å; Q1828-A1831 CarbonylContact O-C 3.47Å; Q1828-A1831 PolarHBondContact O-N 2.98Å; L1829-A1831 VanDerWaalsContact C-N 3.32Å; A1831-L1834 CarbonylContact O-C 3.24Å; A1831-L1834 PolarHBondContact O-N 2.67Å; A1831-E1835 WeakPolarHBondContact O-CA 3.48Å; A1831-E1835 WeakPolarHBondContact O-CB 3.28Å; A1831-E1835 PolarHBondContact O-N 3.44Å | |
| 1832 | E | 57 | Low | 65.1 | Low | 118 Ų | 118 | 102.6 Ų | 102.6 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -83.3 | 0 | 175.3 | -134.3 | -173.4 | 171.7 | 0 | 0 | 110.2 | Q1828 L1829 E1830 E1835 K1836 | Q1828-E1832 VanDerWaalsContact O-CA 3.28Å; Q1828-E1832 WeakPolarHBondContact O-CA 2.96Å; Q1828-E1832 WeakPolarHBondContact O-CB 3.02Å; Q1828-E1832 PolarHBondContact O-N 3.39Å; L1829-E1832 CarbonylContact O-C 3.41Å; L1829-E1832 PolarHBondContact O-N 2.85Å; E1830-E1832 VanDerWaalsContact C-N 3.31Å; E1832-E1835 CarbonylContact O-C 3.14Å; E1832-E1835 PolarHBondContact O-N 2.92Å; E1832-K1836 WeakPolarHBondContact O-CA 2.9Å; E1832-K1836 WeakPolarHBondContact O-CB 3.01Å; E1832-K1836 PolarHBondContact O-N 2.91Å |
| 1833 | K | 64.3 | Low | 64.9 | Low | 126 Ų | 126 | 98.9 Ų | 98.9 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -90.8 | -174.7 | -179.5 | 179.8 | 0 | 110.3 | L1829 E1830 E1835 K1836 L1837 | L1829-K1833 WeakPolarHBondContact O-CB 3.35Å; L1829-K1833 PolarHBondContact O-N 3.37Å; E1830-K1833 PolarHBondContact O-N 2.8Å; K1833-E1835 VanDerWaalsContact C-N 3.35Å; K1833-K1836 PolarHBondContact O-N 2.87Å; K1833-L1837 WeakPolarHBondContact O-CB 3.43Å; K1833-L1837 PolarHBondContact O-N 2.96Å | |
| 1834 | L | 71.1 | Confident | 64.3 | Low | 111 Ų | 111 | 100.6 Ų | 100.6 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -126.4 | 116.2 | 0 | 0 | 0 | 110.4 | E1830 A1831 L1837 N1838 | E1830-L1834 WeakPolarHBondContact O-CB 3.43Å; E1830-L1834 PolarHBondContact O-N 2.66Å; A1831-L1834 CarbonylContact O-C 3.24Å; A1831-L1834 PolarHBondContact O-N 2.67Å; L1834-L1837 CarbonylContact O-C 3.4Å; L1834-L1837 PolarHBondContact O-N 3.41Å; L1834-N1838 WeakPolarHBondContact O-CA 3.41Å; L1834-N1838 WeakPolarHBondContact O-CB 3.2Å; L1834-N1838 PolarHBondContact O-N 2.97Å | |
| 1835 | E | 60.2 | Low | 64 | Low | 131 Ų | 131 | 106.3 Ų | 106.3 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | H | α-helix | 0 | -20.3 | 0 | -117.3 | 179.4 | 179.1 | 0 | 0 | 110.4 | A1831 E1832 K1833 N1838 A1839 | A1831-E1835 WeakPolarHBondContact O-CA 3.48Å; A1831-E1835 WeakPolarHBondContact O-CB 3.28Å; A1831-E1835 PolarHBondContact O-N 3.44Å; E1832-E1835 CarbonylContact O-C 3.14Å; E1832-E1835 PolarHBondContact O-N 2.92Å; K1833-E1835 VanDerWaalsContact C-N 3.35Å; E1835-N1838 CarbonylContact O-C 3.44Å; E1835-N1838 PolarHBondContact O-N 2.79Å; E1835-A1839 WeakPolarHBondContact O-CA 3.36Å; E1835-A1839 WeakPolarHBondContact O-CB 3.26Å; E1835-A1839 PolarHBondContact O-N 2.82Å | |
| 1836 | K | 62.3 | Low | 64 | Low | 157 Ų | 157 | 104 Ų | 104 | 68% | 0.683 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -81.9 | 0 | 174.1 | -145.4 | -177.1 | 174.5 | 179.7 | 0 | 109.9 | E1832 K1833 N1838 A1839 N1840 | E1832-K1836 WeakPolarHBondContact O-CA 2.9Å; E1832-K1836 WeakPolarHBondContact O-CB 3.01Å; E1832-K1836 PolarHBondContact O-N 2.91Å; K1833-K1836 PolarHBondContact O-N 2.87Å; K1836-N1838 VanDerWaalsContact C-N 3.34Å; K1836-A1839 PolarHBondContact O-N 3.3Å; K1836-N1840 WeakPolarHBondContact O-CB 3.48Å; K1836-N1840 PolarHBondContact O-N 3.36Å |
| 1837 | L | 68.4 | Low | 63.3 | Low | 115 Ų | 115 | 101.8 Ų | 101.8 | 60% | 0.602 | 50% | 0.497 | S | S | * | . | H | α-helix | 0 | -25.7 | 0 | -132.9 | 131.5 | 0 | 0 | 0 | 110.3 | K1833 L1834 N1840 K1841 | K1833-L1837 WeakPolarHBondContact O-CB 3.43Å; K1833-L1837 PolarHBondContact O-N 2.96Å; L1834-L1837 CarbonylContact O-C 3.4Å; L1834-L1837 PolarHBondContact O-N 3.41Å; L1837-N1840 PolarHBondContact O-N 3.34Å; L1837-K1841 VanDerWaalsContact O-CB 3.31Å; L1837-K1841 WeakPolarHBondContact O-CB 3.41Å; L1837-K1841 PolarHBondContact O-N 3.37Å | |
| 1838 | N | 68.1 | Low | 63 | Low | 81 Ų | 81 | 101.9 Ų | 101.9 | 43% | 0.433 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -85.9 | 0 | 174.3 | -97.9 | -10.7 | 0 | 0 | 0 | 110.8 | L1834 E1835 K1836 N1840 K1841 N1842 | L1834-N1838 WeakPolarHBondContact O-CA 3.41Å; L1834-N1838 WeakPolarHBondContact O-CB 3.2Å; L1834-N1838 PolarHBondContact O-N 2.97Å; E1835-N1838 CarbonylContact O-C 3.44Å; E1835-N1838 PolarHBondContact O-N 2.79Å; K1836-N1838 VanDerWaalsContact C-N 3.34Å; N1838-N1840 VanDerWaalsContact C-N 3.35Å; N1838-K1841 CarbonylContact O-C 3.58Å; N1838-K1841 PolarHBondContact O-N 3.48Å; N1838-N1842 VanDerWaalsContact O-CA 3.31Å; N1838-N1842 WeakPolarHBondContact O-CA 3.29Å; N1838-N1842 WeakPolarHBondContact O-CB 3.34Å; N1838-N1842 PolarHBondContact O-N 3.2Å; N1838-N1842 PolarHBondContact O-ND2 3.49Å; N1838-N1842 PolarHBondContact O-OD1 3.01Å |
| 1839 | A | 61.7 | Low | 63.1 | Low | 51 Ų | 51 | 103 Ų | 103 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.8 | E1835 K1836 N1842 F1843 | E1835-A1839 WeakPolarHBondContact O-CA 3.36Å; E1835-A1839 WeakPolarHBondContact O-CB 3.26Å; E1835-A1839 PolarHBondContact O-N 2.82Å; K1836-A1839 PolarHBondContact O-N 3.3Å; A1839-N1842 CarbonylContact O-C 3.2Å; A1839-N1842 PolarHBondContact O-N 3.32Å; A1839-F1843 WeakPolarHBondContact O-CA 3.38Å; A1839-F1843 WeakPolarHBondContact O-CB 3.33Å; A1839-F1843 PolarHBondContact O-N 3.21Å | |
| 1840 | N | 62.9 | Low | 62.9 | Low | 59 Ų | 59 | 102.2 Ų | 102.2 | 32% | 0.316 | 50% | 0.499 | S | S | . | . | H | α-helix | 0 | -31.5 | 0 | -125.7 | -11.3 | 0 | 0 | 0 | 110.5 | K1836 L1837 N1838 N1842 F1843 R1844 | K1836-N1840 WeakPolarHBondContact O-CB 3.48Å; K1836-N1840 PolarHBondContact O-N 3.36Å; L1837-N1840 PolarHBondContact O-N 3.34Å; N1838-N1840 VanDerWaalsContact C-N 3.35Å; N1840-N1842 VanDerWaalsContact C-N 3.26Å; N1840-F1843 PolarHBondContact O-N 3.3Å; N1840-R1844 WeakPolarHBondContact O-CB 2.98Å; N1840-R1844 WeakPolarHBondContact O-CG 2.85Å; N1840-R1844 PolarHBondContact O-N 2.97Å | |
| 1841 | K | 65.7 | Low | 62.5 | Low | 127 Ų | 127 | 102.7 Ų | 102.7 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -73.5 | -26.8 | 171.5 | -98.9 | -178 | -178.7 | 179.5 | 0 | 110.8 | L1837 N1838 F1843 R1844 R1845 | L1837-K1841 VanDerWaalsContact O-CB 3.31Å; L1837-K1841 WeakPolarHBondContact O-CB 3.41Å; L1837-K1841 PolarHBondContact O-N 3.37Å; N1838-K1841 CarbonylContact O-C 3.58Å; N1838-K1841 PolarHBondContact O-N 3.48Å; K1841-F1843 VanDerWaalsContact C-N 3.35Å; K1841-R1844 PolarHBondContact O-N 2.78Å; K1841-R1845 WeakPolarHBondContact O-CB 3.45Å; K1841-R1845 WeakPolarHBondContact O-CG 2.97Å; K1841-R1845 PolarHBondContact O-N 2.79Å |
| 1842 | N | 61.6 | Low | 62.4 | Low | 89 Ų | 89 | 103.9 Ų | 103.9 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -83.4 | -26.6 | 176.6 | -81.1 | -15.1 | 0 | 0 | 0 | 110.5 | N1838 A1839 N1840 R1845 A1846 | N1838-N1842 VanDerWaalsContact O-CA 3.31Å; N1838-N1842 WeakPolarHBondContact O-CA 3.29Å; N1838-N1842 WeakPolarHBondContact O-CB 3.34Å; N1838-N1842 PolarHBondContact O-N 3.2Å; N1838-N1842 PolarHBondContact O-ND2 3.49Å; N1838-N1842 PolarHBondContact O-OD1 3.01Å; A1839-N1842 CarbonylContact O-C 3.2Å; A1839-N1842 PolarHBondContact O-N 3.32Å; N1840-N1842 VanDerWaalsContact C-N 3.26Å; N1842-R1845 CarbonylContact O-C 3.54Å; N1842-R1845 VanDerWaalsContact O-C 3.32Å; N1842-R1845 PolarHBondContact O-N 3.09Å; N1842-A1846 WeakPolarHBondContact O-CA 3.2Å; N1842-A1846 WeakPolarHBondContact O-CB 3.46Å; N1842-A1846 PolarHBondContact O-N 2.98Å |
| 1843 | F | 58.9 | Low | 62.4 | Low | 40 Ų | 40 | 102.1 Ų | 102.1 | 18% | 0.175 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -75.7 | 0 | 174.7 | -174.2 | -100 | 0 | 0 | 0 | 109.6 | E1289 N1293 A1839 N1840 K1841 R1845 A1846 E1847 | E1289-F1843 HydrophobicContact CB-CE1 3.7Å; E1289-F1843 HydrophobicContact CB-CE2 4.01Å; E1289-F1843 HydrophobicContact CB-CZ 3.31Å; E1289-F1843 VanDerWaalsContact CD-CD1 3.42Å; E1289-F1843 HydrophobicContact CG-CD1 3.79Å; E1289-F1843 HydrophobicContact CG-CD2 4.14Å; E1289-F1843 HydrophobicContact CG-CE1 3.24Å; E1289-F1843 HydrophobicContact CG-CE2 3.67Å; E1289-F1843 HydrophobicContact CG-CG 4.19Å; E1289-F1843 HydrophobicContact CG-CZ 3.2Å; E1289-F1843 VanDerWaalsContact OE1-CD1 3.25Å; E1289-F1843 WeakPolarHBondContact OE1-CD1 2.78Å; E1289-F1843 WeakPolarHBondContact OE1-CD2 2.2Å; E1289-F1843 WeakPolarHBondContact OE1-CE1 3.02Å; E1289-F1843 WeakPolarHBondContact OE1-CE2 1.79Å; E1289-F1843 WeakPolarHBondContact OE1-CG 2.51Å; E1289-F1843 WeakPolarHBondContact OE1-CZ 2.36Å; E1289-F1843 WeakPolarHBondContact OE2-CD2 3.15Å; E1289-F1843 WeakPolarHBondContact OE2-CE1 3.3Å; E1289-F1843 WeakPolarHBondContact OE2-CE2 3.18Å; E1289-F1843 WeakPolarHBondContact OE2-CZ 3.5Å; N1293-F1843 WeakPolarHBondContact ND2-CD1 3.5Å; N1293-F1843 WeakPolarHBondContact ND2-CE1 3.01Å; A1839-F1843 WeakPolarHBondContact O-CA 3.38Å; A1839-F1843 WeakPolarHBondContact O-CB 3.33Å; A1839-F1843 PolarHBondContact O-N 3.21Å; N1840-F1843 PolarHBondContact O-N 3.3Å; K1841-F1843 VanDerWaalsContact C-N 3.35Å; F1843-R1845 PolarHBondContact O-N 3.2Å; F1843-A1846 CarbonylContact O-C 3.26Å; F1843-A1846 PolarHBondContact O-N 2.93Å; F1843-A1846 VanDerWaalsContact O-N 3.07Å; F1843-E1847 WeakPolarHBondContact O-CA 3.33Å; F1843-E1847 WeakPolarHBondContact O-CB 3.4Å; F1843-E1847 PolarHBondContact O-N 2.8Å |
| 1844 | R | 61.9 | Low | 62.2 | Low | 130 Ų | 130 | 100.9 Ų | 100.9 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | 0 | -26.1 | 0 | -85.1 | -173.1 | -174.8 | 173.9 | 1.5 | 110.2 | E1296 N1840 K1841 K1848 | E1296-R1844 VanDerWaalsContact CD-NH2 3.27Å; E1296-R1844 IonicContact OE1-NH2 3.61Å; E1296-R1844 IonicContact OE2-CZ 3.52Å; E1296-R1844 IonicContact OE2-NE 3.29Å; E1296-R1844 PolarHBondContact OE2-NE 3.39Å; E1296-R1844 IonicContact OE2-NH2 3.08Å; E1296-R1844 PolarHBondContact OE2-NH2 2.66Å; N1840-R1844 WeakPolarHBondContact O-CB 2.98Å; N1840-R1844 WeakPolarHBondContact O-CG 2.85Å; N1840-R1844 PolarHBondContact O-N 2.97Å; K1841-R1844 PolarHBondContact O-N 2.78Å; R1844-K1848 WeakPolarHBondContact O-CB 3.32Å; R1844-K1848 PolarHBondContact O-N 3.09Å | |
| 1845 | R | 61.2 | Low | 61.9 | Low | 179 Ų | 179 | 100.6 Ų | 100.6 | 68% | 0.675 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -80.1 | 0 | 173.5 | -94 | -177.8 | -173.3 | 178 | 1.4 | 110.4 | K1841 N1842 F1843 K1848 K1849 | K1841-R1845 WeakPolarHBondContact O-CB 3.45Å; K1841-R1845 WeakPolarHBondContact O-CG 2.97Å; K1841-R1845 PolarHBondContact O-N 2.79Å; N1842-R1845 CarbonylContact O-C 3.54Å; N1842-R1845 VanDerWaalsContact O-C 3.32Å; N1842-R1845 PolarHBondContact O-N 3.09Å; F1843-R1845 PolarHBondContact O-N 3.2Å; R1845-K1848 CarbonylContact O-C 3.37Å; R1845-K1849 WeakPolarHBondContact O-CA 3.45Å; R1845-K1849 WeakPolarHBondContact O-CB 3.33Å; R1845-K1849 PolarHBondContact O-N 3.4Å |
| 1846 | A | 59.4 | Low | 61.9 | Low | 49 Ų | 49 | 98.8 Ų | 98.8 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | H | α-helix | 0 | -22.6 | 0 | 0 | 0 | 0 | 0 | 0 | 109.6 | N1842 F1843 K1849 C1850 | N1842-A1846 WeakPolarHBondContact O-CA 3.2Å; N1842-A1846 WeakPolarHBondContact O-CB 3.46Å; N1842-A1846 PolarHBondContact O-N 2.98Å; F1843-A1846 CarbonylContact O-C 3.26Å; F1843-A1846 PolarHBondContact O-N 2.93Å; F1843-A1846 VanDerWaalsContact O-N 3.07Å; A1846-K1849 CarbonylContact O-C 3.49Å; A1846-K1849 WeakPolarHBondContact O-CA 3.47Å; A1846-K1849 WeakPolarHBondContact O-CB 3.46Å; A1846-K1849 PolarHBondContact O-N 3.29Å; A1846-C1850 WeakPolarHBondContact O-CA 3.46Å; A1846-C1850 WeakPolarHBondContact O-CB 3.28Å; A1846-C1850 PolarHBondContact O-N 2.8Å | |
| 1847 | E | 55.8 | Low | 61.7 | Low | 62 Ų | 62 | 96 Ų | 96 | 29% | 0.29 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -80.8 | -40.8 | 174.3 | -142.9 | -177.3 | 174.5 | 0 | 0 | 109.7 | N1293 F1843 K1849 C1850 K1851 | N1293-E1847 WeakPolarHBondContact CB-OE1 3.46Å; N1293-E1847 PolarHBondContact ND2-OE1 3.4Å; N1293-E1847 PolarHBondContact ND2-OE2 3.45Å; F1843-E1847 WeakPolarHBondContact O-CA 3.33Å; F1843-E1847 WeakPolarHBondContact O-CB 3.4Å; F1843-E1847 PolarHBondContact O-N 2.8Å; E1847-K1849 PolarHBondContact O-N 2.84Å; E1847-C1850 CarbonylContact O-C 3.51Å; E1847-C1850 PolarHBondContact O-N 3.3Å; E1847-K1851 WeakPolarHBondContact O-CA 3.34Å; E1847-K1851 VanDerWaalsContact O-CB 3.25Å; E1847-K1851 WeakPolarHBondContact O-CB 2.97Å; E1847-K1851 PolarHBondContact O-N 3.42Å |
| 1848 | K | 67.6 | Low | 61.2 | Low | 148 Ų | 148 | 94.4 Ų | 94.4 | 64% | 0.643 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.6 | -25.8 | 168.5 | -153.3 | 177.7 | 178.9 | -179.3 | 0 | 111.4 | R1844 R1845 K1851 D1852 | R1844-K1848 WeakPolarHBondContact O-CB 3.32Å; R1844-K1848 PolarHBondContact O-N 3.09Å; R1845-K1848 CarbonylContact O-C 3.37Å; K1848-K1851 CarbonylContact O-C 2.61Å; K1848-K1851 PolarHBondContact O-N 3.23Å; K1848-D1852 VanDerWaalsContact O-CA 3.3Å; K1848-D1852 WeakPolarHBondContact O-CA 3.32Å; K1848-D1852 WeakPolarHBondContact O-CB 2.35Å; K1848-D1852 PolarHBondContact O-N 2.9Å |
| 1849 | K | 60.2 | Low | 60.9 | Low | 140 Ų | 140 | 93.5 Ų | 93.5 | 61% | 0.609 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -82.8 | -32 | 175.1 | -117.9 | 175.9 | -178.7 | 177.8 | 0 | 110.4 | R1845 A1846 E1847 D1852 L1853 | R1845-K1849 WeakPolarHBondContact O-CA 3.45Å; R1845-K1849 WeakPolarHBondContact O-CB 3.33Å; R1845-K1849 PolarHBondContact O-N 3.4Å; A1846-K1849 CarbonylContact O-C 3.49Å; A1846-K1849 WeakPolarHBondContact O-CA 3.47Å; A1846-K1849 WeakPolarHBondContact O-CB 3.46Å; A1846-K1849 PolarHBondContact O-N 3.29Å; E1847-K1849 PolarHBondContact O-N 2.84Å; K1849-D1852 CarbonylContact O-C 3.32Å; K1849-D1852 VanDerWaalsContact O-C 3.26Å; K1849-D1852 PolarHBondContact O-N 2.9Å; K1849-L1853 VanDerWaalsContact C-N 3.34Å; K1849-L1853 WeakPolarHBondContact O-CA 3.24Å; K1849-L1853 WeakPolarHBondContact O-CB 3.39Å; K1849-L1853 WeakPolarHBondContact O-CD1 3.36Å; K1849-L1853 WeakPolarHBondContact O-CG 3.48Å; K1849-L1853 PolarHBondContact O-N 3.39Å |
| 1850 | C | 56.4 | Low | 60.8 | Low | 68 Ų | 68 | 95 Ų | 95 | 46% | 0.459 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -74.9 | 0 | 175.7 | -131.2 | 0 | 0 | 0 | 0 | 109.3 | A1846 E1847 D1852 L1853 I1854 | A1846-C1850 WeakPolarHBondContact O-CA 3.46Å; A1846-C1850 WeakPolarHBondContact O-CB 3.28Å; A1846-C1850 PolarHBondContact O-N 2.8Å; E1847-C1850 CarbonylContact O-C 3.51Å; E1847-C1850 PolarHBondContact O-N 3.3Å; C1850-D1852 VanDerWaalsContact C-N 3.29Å; C1850-L1853 VanDerWaalsContact C-N 3.35Å; C1850-L1853 CarbonylContact O-C 3.46Å; C1850-L1853 VanDerWaalsContact O-C 3.27Å; C1850-L1853 WeakPolarHBondContact O-CA 3.23Å; C1850-L1853 WeakPolarHBondContact O-CB 3.17Å; C1850-L1853 PolarHBondContact O-N 3.47Å; C1850-I1854 WeakPolarHBondContact O-CA 3.12Å; C1850-I1854 VanDerWaalsContact O-CB 3.25Å; C1850-I1854 WeakPolarHBondContact O-CB 2.52Å; C1850-I1854 WeakPolarHBondContact O-CG1 2.9Å; C1850-I1854 PolarHBondContact O-N 3.06Å |
| 1851 | K | 62.2 | Low | 60.9 | Low | 123 Ų | 123 | 100.9 Ų | 100.9 | 54% | 0.535 | 48% | 0.479 | S | S | . | . | H | α-helix | 0 | -27.9 | 0 | -97.8 | -178.7 | -178.6 | 179.1 | 0 | 110.2 | E1847 K1848 L1853 I1854 L1855 | E1847-K1851 WeakPolarHBondContact O-CA 3.34Å; E1847-K1851 VanDerWaalsContact O-CB 3.25Å; E1847-K1851 WeakPolarHBondContact O-CB 2.97Å; E1847-K1851 PolarHBondContact O-N 3.42Å; K1848-K1851 CarbonylContact O-C 2.61Å; K1848-K1851 PolarHBondContact O-N 3.23Å; K1851-L1853 VanDerWaalsContact C-N 3.3Å; K1851-I1854 PolarHBondContact O-N 2.85Å; K1851-L1855 WeakPolarHBondContact O-CA 2.76Å; K1851-L1855 WeakPolarHBondContact O-CB 3.32Å; K1851-L1855 PolarHBondContact O-N 3.32Å | |
| 1852 | D | 62.6 | Low | 60.8 | Low | 78 Ų | 78 | 103.3 Ų | 103.3 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -78.7 | 0 | 172 | -81.8 | -10.6 | 0 | 0 | 0 | 110.7 | K1848 K1849 C1850 L1855 Q1856 | K1848-D1852 VanDerWaalsContact O-CA 3.3Å; K1848-D1852 WeakPolarHBondContact O-CA 3.32Å; K1848-D1852 WeakPolarHBondContact O-CB 2.35Å; K1848-D1852 PolarHBondContact O-N 2.9Å; K1849-D1852 CarbonylContact O-C 3.32Å; K1849-D1852 VanDerWaalsContact O-C 3.26Å; K1849-D1852 PolarHBondContact O-N 2.9Å; C1850-D1852 VanDerWaalsContact C-N 3.29Å; D1852-L1855 CarbonylContact O-C 3.44Å; D1852-L1855 VanDerWaalsContact O-C 3.23Å; D1852-L1855 PolarHBondContact O-N 3.06Å; D1852-Q1856 VanDerWaalsContact C-CB 3.41Å; D1852-Q1856 WeakPolarHBondContact O-CA 3.29Å; D1852-Q1856 WeakPolarHBondContact O-CB 3.41Å; D1852-Q1856 WeakPolarHBondContact O-CG 3.34Å; D1852-Q1856 PolarHBondContact O-N 2.94Å |
| 1853 | L | 57.7 | Low | 60.7 | Low | 80 Ų | 80 | 101.9 Ų | 101.9 | 42% | 0.419 | 48% | 0.481 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -80.3 | 170.2 | 0 | 0 | 0 | 109.7 | K1849 C1850 K1851 Q1856 N1857 | K1849-L1853 VanDerWaalsContact C-N 3.34Å; K1849-L1853 WeakPolarHBondContact O-CA 3.24Å; K1849-L1853 WeakPolarHBondContact O-CB 3.39Å; K1849-L1853 WeakPolarHBondContact O-CD1 3.36Å; K1849-L1853 WeakPolarHBondContact O-CG 3.48Å; K1849-L1853 PolarHBondContact O-N 3.39Å; C1850-L1853 VanDerWaalsContact C-N 3.35Å; C1850-L1853 CarbonylContact O-C 3.46Å; C1850-L1853 VanDerWaalsContact O-C 3.27Å; C1850-L1853 WeakPolarHBondContact O-CA 3.23Å; C1850-L1853 WeakPolarHBondContact O-CB 3.17Å; C1850-L1853 PolarHBondContact O-N 3.47Å; K1851-L1853 VanDerWaalsContact C-N 3.3Å; L1853-Q1856 HydrophobicContact CD2-CB 4.4Å; L1853-Q1856 CarbonylContact O-C 3.44Å; L1853-Q1856 WeakPolarHBondContact O-CA 3.44Å; L1853-Q1856 WeakPolarHBondContact O-CB 3.25Å; L1853-Q1856 PolarHBondContact O-N 3.25Å; L1853-N1857 WeakPolarHBondContact O-CA 3.37Å; L1853-N1857 WeakPolarHBondContact O-CB 3.15Å; L1853-N1857 PolarHBondContact O-N 2.96Å | |
| 1854 | I | 61.4 | Low | 61.1 | Low | 100 Ų | 100 | 102.6 Ų | 102.6 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -72.4 | 174 | 0 | 0 | 0 | 108.3 | C1850 K1851 N1857 D1858 | C1850-I1854 WeakPolarHBondContact O-CA 3.12Å; C1850-I1854 VanDerWaalsContact O-CB 3.25Å; C1850-I1854 WeakPolarHBondContact O-CB 2.52Å; C1850-I1854 WeakPolarHBondContact O-CG1 2.9Å; C1850-I1854 PolarHBondContact O-N 3.06Å; K1851-I1854 PolarHBondContact O-N 2.85Å; I1854-N1857 CarbonylContact O-C 3.51Å; I1854-N1857 PolarHBondContact O-N 3.48Å; I1854-D1858 WeakPolarHBondContact O-CA 3.21Å; I1854-D1858 WeakPolarHBondContact O-CB 3.49Å; I1854-D1858 PolarHBondContact O-N 2.58Å | |
| 1855 | L | 64.1 | Low | 61.1 | Low | 106 Ų | 106 | 103 Ų | 103 | 56% | 0.555 | 50% | 0.502 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -139.8 | 107.6 | 0 | 0 | 0 | 110.7 | K1851 D1852 D1858 D1859 | K1851-L1855 WeakPolarHBondContact O-CA 2.76Å; K1851-L1855 WeakPolarHBondContact O-CB 3.32Å; K1851-L1855 PolarHBondContact O-N 3.32Å; D1852-L1855 CarbonylContact O-C 3.44Å; D1852-L1855 VanDerWaalsContact O-C 3.23Å; D1852-L1855 PolarHBondContact O-N 3.06Å; L1855-D1858 CarbonylContact O-C 3.5Å; L1855-D1858 PolarHBondContact O-N 2.97Å; L1855-D1859 WeakPolarHBondContact O-CA 3.01Å; L1855-D1859 WeakPolarHBondContact O-CB 3.15Å; L1855-D1859 PolarHBondContact O-N 3.08Å | |
| 1856 | Q | 59.5 | Low | 61.2 | Low | 92 Ų | 92 | 96.5 Ų | 96.5 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -115.7 | 177.5 | 0.6 | 0 | 0 | 110.1 | D1852 L1853 D1859 L1860 | D1852-Q1856 VanDerWaalsContact C-CB 3.41Å; D1852-Q1856 WeakPolarHBondContact O-CA 3.29Å; D1852-Q1856 WeakPolarHBondContact O-CB 3.41Å; D1852-Q1856 WeakPolarHBondContact O-CG 3.34Å; D1852-Q1856 PolarHBondContact O-N 2.94Å; L1853-Q1856 HydrophobicContact CD2-CB 4.4Å; L1853-Q1856 CarbonylContact O-C 3.44Å; L1853-Q1856 WeakPolarHBondContact O-CA 3.44Å; L1853-Q1856 WeakPolarHBondContact O-CB 3.25Å; L1853-Q1856 PolarHBondContact O-N 3.25Å; Q1856-D1859 CarbonylContact O-C 3.47Å; Q1856-D1859 PolarHBondContact O-N 2.88Å; Q1856-L1860 HydrophobicContact CB-CD1 4.46Å; Q1856-L1860 WeakPolarHBondContact O-CA 3.47Å; Q1856-L1860 WeakPolarHBondContact O-CB 3.4Å; Q1856-L1860 VanDerWaalsContact O-CD1 3.31Å; Q1856-L1860 WeakPolarHBondContact O-CD1 3.4Å; Q1856-L1860 WeakPolarHBondContact O-CG 3.43Å; Q1856-L1860 PolarHBondContact O-N 3.27Å | |
| 1857 | N | 58.2 | Low | 61.5 | Low | 99 Ų | 99 | 98.8 Ų | 98.8 | 53% | 0.529 | 49% | 0.492 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -136.2 | -33.9 | 0 | 0 | 0 | 109.8 | L1853 I1854 L1860 R1861 | L1853-N1857 WeakPolarHBondContact O-CA 3.37Å; L1853-N1857 WeakPolarHBondContact O-CB 3.15Å; L1853-N1857 PolarHBondContact O-N 2.96Å; I1854-N1857 CarbonylContact O-C 3.51Å; I1854-N1857 PolarHBondContact O-N 3.48Å; N1857-L1860 CarbonylContact O-C 3.07Å; N1857-L1860 PolarHBondContact O-N 3.37Å; N1857-R1861 VanDerWaalsContact C-N 3.32Å; N1857-R1861 WeakPolarHBondContact O-CA 3.42Å; N1857-R1861 WeakPolarHBondContact O-CB 3.36Å; N1857-R1861 WeakPolarHBondContact O-CG 3.08Å; N1857-R1861 PolarHBondContact O-N 2.9Å | |
| 1858 | D | 59.2 | Low | 62.2 | Low | 81 Ų | 81 | 101.1 Ų | 101.1 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -88.7 | -9.9 | 0 | 0 | 0 | 109.9 | I1854 L1855 R1861 R1862 | I1854-D1858 WeakPolarHBondContact O-CA 3.21Å; I1854-D1858 WeakPolarHBondContact O-CB 3.49Å; I1854-D1858 PolarHBondContact O-N 2.58Å; L1855-D1858 CarbonylContact O-C 3.5Å; L1855-D1858 PolarHBondContact O-N 2.97Å; D1858-R1861 CarbonylContact O-C 3.52Å; D1858-R1861 PolarHBondContact O-N 2.63Å; D1858-R1862 WeakPolarHBondContact O-CA 3.41Å; D1858-R1862 WeakPolarHBondContact O-CB 3.24Å; D1858-R1862 VanDerWaalsContact O-CG 3.32Å; D1858-R1862 WeakPolarHBondContact O-CG 3.33Å; D1858-R1862 PolarHBondContact O-N 2.62Å | |
| 1859 | D | 61.6 | Low | 62.2 | Low | 63 Ų | 63 | 99.8 Ų | 99.8 | 34% | 0.337 | 50% | 0.497 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -82.8 | -12.6 | 0 | 0 | 0 | 110.5 | L1855 Q1856 R1861 R1862 C1863 | L1855-D1859 WeakPolarHBondContact O-CA 3.01Å; L1855-D1859 WeakPolarHBondContact O-CB 3.15Å; L1855-D1859 PolarHBondContact O-N 3.08Å; Q1856-D1859 CarbonylContact O-C 3.47Å; Q1856-D1859 PolarHBondContact O-N 2.88Å; D1859-R1861 VanDerWaalsContact C-N 3.31Å; D1859-R1862 CarbonylContact O-C 2.81Å; D1859-R1862 WeakPolarHBondContact O-CA 3.17Å; D1859-R1862 PolarHBondContact O-N 3.36Å; D1859-R1862 VanDerWaalsContact O-N 3.17Å; D1859-C1863 VanDerWaalsContact C-CB 3.46Å; D1859-C1863 WeakPolarHBondContact O-CA 3.29Å; D1859-C1863 WeakPolarHBondContact O-CB 3.36Å; D1859-C1863 PolarHBondContact O-N 2.56Å; D1859-C1863 PolarHBondContact O-SG 2.21Å | |
| 1860 | L | 59 | Low | 62.5 | Low | 83 Ų | 83 | 95.8 Ų | 95.8 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -81.4 | 166.8 | 0 | 0 | 0 | 109.6 | Q1856 N1857 C1863 A1864 | Q1856-L1860 HydrophobicContact CB-CD1 4.46Å; Q1856-L1860 WeakPolarHBondContact O-CA 3.47Å; Q1856-L1860 WeakPolarHBondContact O-CB 3.4Å; Q1856-L1860 VanDerWaalsContact O-CD1 3.31Å; Q1856-L1860 WeakPolarHBondContact O-CD1 3.4Å; Q1856-L1860 WeakPolarHBondContact O-CG 3.43Å; Q1856-L1860 PolarHBondContact O-N 3.27Å; N1857-L1860 CarbonylContact O-C 3.07Å; N1857-L1860 PolarHBondContact O-N 3.37Å; L1860-C1863 CarbonylContact O-C 2.9Å; L1860-C1863 VanDerWaalsContact O-C 3.3Å; L1860-A1864 WeakPolarHBondContact O-CA 3.41Å; L1860-A1864 WeakPolarHBondContact O-CB 3.37Å; L1860-A1864 PolarHBondContact O-N 3.46Å | |
| 1861 | R | 64.6 | Low | 63.2 | Low | 182 Ų | 182 | 98.2 Ų | 98.2 | 69% | 0.687 | 49% | 0.489 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -107.1 | -173.7 | 173.8 | 175.6 | 0.9 | 109.8 | N1857 D1858 D1859 A1864 E1865 | N1857-R1861 VanDerWaalsContact C-N 3.32Å; N1857-R1861 WeakPolarHBondContact O-CA 3.42Å; N1857-R1861 WeakPolarHBondContact O-CB 3.36Å; N1857-R1861 WeakPolarHBondContact O-CG 3.08Å; N1857-R1861 PolarHBondContact O-N 2.9Å; D1858-R1861 CarbonylContact O-C 3.52Å; D1858-R1861 PolarHBondContact O-N 2.63Å; D1859-R1861 VanDerWaalsContact C-N 3.31Å; R1861-A1864 PolarHBondContact O-N 3.37Å; R1861-E1865 WeakPolarHBondContact O-CA 3.11Å; R1861-E1865 WeakPolarHBondContact O-CB 3.33Å; R1861-E1865 PolarHBondContact O-N 3.37Å | |
| 1862 | R | 63.8 | Low | 63.6 | Low | 178 Ų | 178 | 97 Ų | 97 | 67% | 0.672 | 49% | 0.486 | S | S | * | . | H | α-helix | 0 | -27.2 | 0 | -89.6 | -175.6 | -155.4 | 166.8 | 1.7 | 110.6 | D1858 D1859 E1865 A1866 | D1858-R1862 WeakPolarHBondContact O-CA 3.41Å; D1858-R1862 WeakPolarHBondContact O-CB 3.24Å; D1858-R1862 VanDerWaalsContact O-CG 3.32Å; D1858-R1862 WeakPolarHBondContact O-CG 3.33Å; D1858-R1862 PolarHBondContact O-N 2.62Å; D1859-R1862 CarbonylContact O-C 2.81Å; D1859-R1862 WeakPolarHBondContact O-CA 3.17Å; D1859-R1862 PolarHBondContact O-N 3.36Å; D1859-R1862 VanDerWaalsContact O-N 3.17Å; R1862-E1865 CarbonylContact O-C 2.82Å; R1862-E1865 PolarHBondContact O-N 3.19Å; R1862-A1866 WeakPolarHBondContact O-CA 3.25Å; R1862-A1866 WeakPolarHBondContact O-CB 3.38Å; R1862-A1866 PolarHBondContact O-N 3.29Å | |
| 1863 | C | 60.4 | Low | 63.9 | Low | 59 Ų | 59 | 100.3 Ų | 100.3 | 40% | 0.399 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -82.5 | 0 | 174.6 | -100.6 | 0 | 0 | 0 | 0 | 109.9 | D1859 L1860 E1865 A1866 L1867 | D1859-C1863 VanDerWaalsContact C-CB 3.46Å; D1859-C1863 WeakPolarHBondContact O-CA 3.29Å; D1859-C1863 WeakPolarHBondContact O-CB 3.36Å; D1859-C1863 PolarHBondContact O-N 2.56Å; D1859-C1863 PolarHBondContact O-SG 2.21Å; L1860-C1863 CarbonylContact O-C 2.9Å; L1860-C1863 VanDerWaalsContact O-C 3.3Å; C1863-E1865 VanDerWaalsContact C-N 3.31Å; C1863-A1866 CarbonylContact O-C 2.89Å; C1863-A1866 WeakPolarHBondContact O-CA 3.4Å; C1863-A1866 PolarHBondContact O-N 3.3Å; C1863-A1866 VanDerWaalsContact O-N 3.07Å; C1863-L1867 HydrophobicContact CB-CD1 4.2Å; C1863-L1867 WeakPolarHBondContact O-CA 2.68Å; C1863-L1867 WeakPolarHBondContact O-CB 3.48Å; C1863-L1867 WeakPolarHBondContact O-CD1 3.03Å; C1863-L1867 WeakPolarHBondContact O-CG 3.1Å; C1863-L1867 PolarHBondContact O-N 3.45Å |
| 1864 | A | 66.3 | Low | 64.4 | Low | 55 Ų | 55 | 98.6 Ų | 98.6 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.4 | L1860 R1861 L1867 K1868 | L1860-A1864 WeakPolarHBondContact O-CA 3.41Å; L1860-A1864 WeakPolarHBondContact O-CB 3.37Å; L1860-A1864 PolarHBondContact O-N 3.46Å; R1861-A1864 PolarHBondContact O-N 3.37Å; A1864-L1867 CarbonylContact O-C 3.42Å; A1864-K1868 WeakPolarHBondContact O-CA 3.09Å; A1864-K1868 WeakPolarHBondContact O-CB 3.43Å; A1864-K1868 PolarHBondContact O-N 3.34Å | |
| 1865 | E | 61.7 | Low | 64.8 | Low | 137 Ų | 137 | 97.1 Ų | 97.1 | 64% | 0.64 | 49% | 0.485 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -97.1 | 174 | -179.2 | 0 | 0 | 110.2 | R1861 R1862 C1863 E1869 | R1861-E1865 WeakPolarHBondContact O-CA 3.11Å; R1861-E1865 WeakPolarHBondContact O-CB 3.33Å; R1861-E1865 PolarHBondContact O-N 3.37Å; R1862-E1865 CarbonylContact O-C 2.82Å; R1862-E1865 PolarHBondContact O-N 3.19Å; C1863-E1865 VanDerWaalsContact C-N 3.31Å; E1865-E1869 WeakPolarHBondContact O-CB 3.17Å; E1865-E1869 PolarHBondContact O-N 3.26Å | |
| 1866 | A | 64.6 | Low | 65 | Low | 44 Ų | 44 | 95 Ų | 95 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.9 | R1862 C1863 K1868 E1869 S1870 | R1862-A1866 WeakPolarHBondContact O-CA 3.25Å; R1862-A1866 WeakPolarHBondContact O-CB 3.38Å; R1862-A1866 PolarHBondContact O-N 3.29Å; C1863-A1866 CarbonylContact O-C 2.89Å; C1863-A1866 WeakPolarHBondContact O-CA 3.4Å; C1863-A1866 PolarHBondContact O-N 3.3Å; C1863-A1866 VanDerWaalsContact O-N 3.07Å; A1866-K1868 VanDerWaalsContact C-N 3.34Å; A1866-E1869 CarbonylContact O-C 2.97Å; A1866-E1869 WeakPolarHBondContact O-CA 3.3Å; A1866-E1869 PolarHBondContact O-N 3.17Å; A1866-E1869 VanDerWaalsContact O-N 3.14Å; A1866-S1870 WeakPolarHBondContact O-CA 3.19Å; A1866-S1870 WeakPolarHBondContact O-CB 3.47Å; A1866-S1870 PolarHBondContact O-N 3.29Å | |
| 1867 | L | 64.2 | Low | 65.4 | Low | 97 Ų | 97 | 93.2 Ų | 93.2 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -100.8 | 144.1 | 0 | 0 | 0 | 110.3 | C1863 A1864 E1869 S1870 F1871 | C1863-L1867 HydrophobicContact CB-CD1 4.2Å; C1863-L1867 WeakPolarHBondContact O-CA 2.68Å; C1863-L1867 WeakPolarHBondContact O-CB 3.48Å; C1863-L1867 WeakPolarHBondContact O-CD1 3.03Å; C1863-L1867 WeakPolarHBondContact O-CG 3.1Å; C1863-L1867 PolarHBondContact O-N 3.45Å; A1864-L1867 CarbonylContact O-C 3.42Å; L1867-E1869 VanDerWaalsContact C-N 3.3Å; L1867-S1870 CarbonylContact O-C 3.19Å; L1867-S1870 PolarHBondContact O-N 2.85Å; L1867-F1871 WeakPolarHBondContact O-CA 3.39Å; L1867-F1871 WeakPolarHBondContact O-CB 3.26Å; L1867-F1871 PolarHBondContact O-N 2.87Å | |
| 1868 | K | 70.7 | Confident | 65.8 | Low | 110 Ų | 110 | 91.8 Ų | 91.8 | 48% | 0.478 | 47% | 0.474 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -162.8 | 177.6 | 177.3 | -176.6 | 0 | 109.9 | A1864 A1866 E1872 | A1864-K1868 WeakPolarHBondContact O-CA 3.09Å; A1864-K1868 WeakPolarHBondContact O-CB 3.43Å; A1864-K1868 PolarHBondContact O-N 3.34Å; A1866-K1868 VanDerWaalsContact C-N 3.34Å; K1868-E1872 WeakPolarHBondContact O-CA 3.23Å; K1868-E1872 WeakPolarHBondContact O-CB 3.38Å; K1868-E1872 WeakPolarHBondContact O-CG 3.34Å; K1868-E1872 PolarHBondContact O-N 2.96Å | |
| 1869 | E | 69.2 | Low | 66.3 | Low | 121 Ų | 121 | 92 Ų | 92 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | H | α-helix | 0 | -30.7 | 0 | -129.3 | 175.7 | -179.2 | 0 | 0 | 110.8 | E1865 A1866 L1867 E1872 K1873 | E1865-E1869 WeakPolarHBondContact O-CB 3.17Å; E1865-E1869 PolarHBondContact O-N 3.26Å; A1866-E1869 CarbonylContact O-C 2.97Å; A1866-E1869 WeakPolarHBondContact O-CA 3.3Å; A1866-E1869 PolarHBondContact O-N 3.17Å; A1866-E1869 VanDerWaalsContact O-N 3.14Å; L1867-E1869 VanDerWaalsContact C-N 3.3Å; E1869-E1872 CarbonylContact O-C 3.43Å; E1869-E1872 PolarHBondContact O-N 2.95Å; E1869-K1873 WeakPolarHBondContact O-CA 3.29Å; E1869-K1873 WeakPolarHBondContact O-CB 3.39Å; E1869-K1873 VanDerWaalsContact O-CG 3.31Å; E1869-K1873 WeakPolarHBondContact O-CG 3.47Å; E1869-K1873 PolarHBondContact O-N 3.13Å | |
| 1870 | S | 66 | Low | 66.8 | Low | 56 Ų | 56 | 94.8 Ų | 94.8 | 39% | 0.392 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -81.7 | 0 | 176.1 | 140.4 | 0 | 0 | 0 | 0 | 110.2 | A1866 L1867 K1873 A1874 | A1866-S1870 WeakPolarHBondContact O-CA 3.19Å; A1866-S1870 WeakPolarHBondContact O-CB 3.47Å; A1866-S1870 PolarHBondContact O-N 3.29Å; L1867-S1870 CarbonylContact O-C 3.19Å; L1867-S1870 PolarHBondContact O-N 2.85Å; S1870-K1873 CarbonylContact O-C 2.96Å; S1870-K1873 WeakPolarHBondContact O-CA 3.47Å; S1870-K1873 PolarHBondContact O-N 3.18Å; S1870-K1873 VanDerWaalsContact O-N 3.09Å; S1870-A1874 WeakPolarHBondContact O-CA 3.34Å; S1870-A1874 WeakPolarHBondContact O-CB 3.2Å; S1870-A1874 PolarHBondContact O-N 3.25Å |
| 1871 | F | 71.3 | Confident | 67.4 | Low | 118 Ų | 118 | 94.5 Ų | 94.5 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -177.5 | -101.5 | 0 | 0 | 0 | 109.5 | L1867 K1873 A1874 Q1875 | L1867-F1871 WeakPolarHBondContact O-CA 3.39Å; L1867-F1871 WeakPolarHBondContact O-CB 3.26Å; L1867-F1871 PolarHBondContact O-N 2.87Å; F1871-K1873 VanDerWaalsContact C-N 3.27Å; F1871-A1874 CarbonylContact O-C 3.08Å; F1871-A1874 PolarHBondContact O-N 2.87Å; F1871-Q1875 HydrophobicContact CD1-CB 4.47Å; F1871-Q1875 HydrophobicContact CE1-CB 4.48Å; F1871-Q1875 WeakPolarHBondContact O-CA 3.25Å; F1871-Q1875 WeakPolarHBondContact O-CB 3.08Å; F1871-Q1875 PolarHBondContact O-N 3.35Å | |
| 1872 | E | 70.4 | Confident | 67.7 | Low | 97 Ų | 97 | 92.3 Ų | 92.3 | 45% | 0.453 | 48% | 0.476 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -80.9 | -178.4 | 173.5 | 0 | 0 | 110.2 | K1868 E1869 S1876 | K1868-E1872 WeakPolarHBondContact O-CA 3.23Å; K1868-E1872 WeakPolarHBondContact O-CB 3.38Å; K1868-E1872 WeakPolarHBondContact O-CG 3.34Å; K1868-E1872 PolarHBondContact O-N 2.96Å; E1869-E1872 CarbonylContact O-C 3.43Å; E1869-E1872 PolarHBondContact O-N 2.95Å; E1872-S1876 WeakPolarHBondContact O-CB 3.15Å; E1872-S1876 PolarHBondContact O-N 3.29Å | |
| 1873 | K | 68.9 | Low | 68 | Low | 148 Ų | 148 | 90.7 Ų | 90.7 | 64% | 0.643 | 47% | 0.47 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -91.1 | -178 | -175.8 | -179.7 | 0 | 110.7 | E1869 S1870 F1871 S1876 S1877 | E1869-K1873 WeakPolarHBondContact O-CA 3.29Å; E1869-K1873 WeakPolarHBondContact O-CB 3.39Å; E1869-K1873 VanDerWaalsContact O-CG 3.31Å; E1869-K1873 WeakPolarHBondContact O-CG 3.47Å; E1869-K1873 PolarHBondContact O-N 3.13Å; S1870-K1873 CarbonylContact O-C 2.96Å; S1870-K1873 WeakPolarHBondContact O-CA 3.47Å; S1870-K1873 PolarHBondContact O-N 3.18Å; S1870-K1873 VanDerWaalsContact O-N 3.09Å; F1871-K1873 VanDerWaalsContact C-N 3.27Å; K1873-S1876 CarbonylContact O-C 2.75Å; K1873-S1876 PolarHBondContact O-N 2.96Å; K1873-S1876 PolarHBondContact O-OG 3.43Å; K1873-S1876 VanDerWaalsContact O-OG 3.04Å; K1873-S1877 WeakPolarHBondContact O-CA 3.33Å; K1873-S1877 WeakPolarHBondContact O-CB 3.33Å; K1873-S1877 PolarHBondContact O-N 2.53Å | |
| 1874 | A | 67.8 | Low | 68.6 | Low | 44 Ų | 44 | 93.5 Ų | 93.5 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.9 | S1870 F1871 S1876 S1877 C1878 | S1870-A1874 WeakPolarHBondContact O-CA 3.34Å; S1870-A1874 WeakPolarHBondContact O-CB 3.2Å; S1870-A1874 PolarHBondContact O-N 3.25Å; F1871-A1874 CarbonylContact O-C 3.08Å; F1871-A1874 PolarHBondContact O-N 2.87Å; A1874-S1876 VanDerWaalsContact C-N 3.27Å; A1874-S1877 CarbonylContact O-C 2.8Å; A1874-S1877 PolarHBondContact O-N 3.09Å; A1874-C1878 WeakPolarHBondContact O-CA 3.3Å; A1874-C1878 WeakPolarHBondContact O-CB 3.28Å; A1874-C1878 PolarHBondContact O-N 2.92Å | |
| 1875 | Q | 70.7 | Confident | 68.9 | Low | 69 Ų | 69 | 95 Ų | 95 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -164.5 | 174.1 | 10.6 | 0 | 0 | 109.7 | F1871 K1879 | F1871-Q1875 HydrophobicContact CD1-CB 4.47Å; F1871-Q1875 HydrophobicContact CE1-CB 4.48Å; F1871-Q1875 WeakPolarHBondContact O-CA 3.25Å; F1871-Q1875 WeakPolarHBondContact O-CB 3.08Å; F1871-Q1875 PolarHBondContact O-N 3.35Å; Q1875-K1879 WeakPolarHBondContact O-CA 3.49Å; Q1875-K1879 WeakPolarHBondContact O-CB 3.33Å; Q1875-K1879 WeakPolarHBondContact O-CG 3.43Å; Q1875-K1879 PolarHBondContact O-N 2.85Å | |
| 1876 | S | 68.2 | Low | 69.4 | Low | 62 Ų | 62 | 90 Ų | 90 | 43% | 0.434 | 46% | 0.459 | S | S | . | . | H | α-helix | 0 | -30.8 | 0 | 108 | 0 | 0 | 0 | 0 | 110.8 | E1872 K1873 A1874 K1879 Q1880 | E1872-S1876 WeakPolarHBondContact O-CB 3.15Å; E1872-S1876 PolarHBondContact O-N 3.29Å; K1873-S1876 CarbonylContact O-C 2.75Å; K1873-S1876 PolarHBondContact O-N 2.96Å; K1873-S1876 PolarHBondContact O-OG 3.43Å; K1873-S1876 VanDerWaalsContact O-OG 3.04Å; A1874-S1876 VanDerWaalsContact C-N 3.27Å; S1876-K1879 PolarHBondContact O-N 2.86Å; S1876-Q1880 VanDerWaalsContact O-CB 3.25Å; S1876-Q1880 WeakPolarHBondContact O-CB 3.3Å; S1876-Q1880 PolarHBondContact O-N 3.16Å | |
| 1877 | S | 67.7 | Low | 69.8 | Low | 54 Ų | 54 | 89.3 Ų | 89.3 | 38% | 0.378 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -81.5 | 0 | 177.3 | -127.8 | 0 | 0 | 0 | 0 | 110.9 | K1873 A1874 Q1880 N1881 | K1873-S1877 WeakPolarHBondContact O-CA 3.33Å; K1873-S1877 WeakPolarHBondContact O-CB 3.33Å; K1873-S1877 PolarHBondContact O-N 2.53Å; A1874-S1877 CarbonylContact O-C 2.8Å; A1874-S1877 PolarHBondContact O-N 3.09Å; S1877-Q1880 CarbonylContact O-C 3.3Å; S1877-Q1880 VanDerWaalsContact O-C 3.23Å; S1877-Q1880 WeakPolarHBondContact O-CA 3.28Å; S1877-Q1880 WeakPolarHBondContact O-CB 3.25Å; S1877-Q1880 PolarHBondContact O-N 3.47Å; S1877-N1881 VanDerWaalsContact O-CA 3.26Å; S1877-N1881 WeakPolarHBondContact O-CA 3.38Å; S1877-N1881 WeakPolarHBondContact O-CB 3.32Å; S1877-N1881 VanDerWaalsContact O-CG 3.27Å; S1877-N1881 PolarHBondContact O-N 3.43Å |
| 1878 | C | 66 | Low | 70.3 | Confident | 70 Ų | 70 | 89.4 Ų | 89.4 | 47% | 0.473 | 46% | 0.457 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -144.8 | 0 | 0 | 0 | 0 | 110.1 | A1874 Q1880 N1881 K1882 | A1874-C1878 WeakPolarHBondContact O-CA 3.3Å; A1874-C1878 WeakPolarHBondContact O-CB 3.28Å; A1874-C1878 PolarHBondContact O-N 2.92Å; C1878-Q1880 VanDerWaalsContact C-N 3.3Å; C1878-N1881 CarbonylContact O-C 3.57Å; C1878-N1881 PolarHBondContact O-N 2.99Å; C1878-K1882 WeakPolarHBondContact O-CA 3.11Å; C1878-K1882 WeakPolarHBondContact O-CB 3.46Å; C1878-K1882 WeakPolarHBondContact O-CG 3.48Å; C1878-K1882 PolarHBondContact O-N 3.41Å | |
| 1879 | K | 70.3 | Confident | 70.5 | Confident | 86 Ų | 86 | 90.3 Ų | 90.3 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | H | α-helix | 0 | -32.4 | 0 | -84 | -175.6 | -178.1 | -179.8 | 0 | 110.1 | Q1875 S1876 R1883 | Q1875-K1879 WeakPolarHBondContact O-CA 3.49Å; Q1875-K1879 WeakPolarHBondContact O-CB 3.33Å; Q1875-K1879 WeakPolarHBondContact O-CG 3.43Å; Q1875-K1879 PolarHBondContact O-N 2.85Å; S1876-K1879 PolarHBondContact O-N 2.86Å; K1879-R1883 VanDerWaalsContact O-CB 3.29Å; K1879-R1883 WeakPolarHBondContact O-CB 3.46Å; K1879-R1883 WeakPolarHBondContact O-CG 3.44Å; K1879-R1883 PolarHBondContact O-N 3.18Å | |
| 1880 | Q | 72 | Confident | 70.7 | Confident | 121 Ų | 121 | 87.7 Ų | 87.7 | 57% | 0.565 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -76.3 | 0 | 176.3 | -162.6 | 154 | -0.1 | 0 | 0 | 110.8 | S1876 S1877 C1878 R1883 E1884 | S1876-Q1880 VanDerWaalsContact O-CB 3.25Å; S1876-Q1880 WeakPolarHBondContact O-CB 3.3Å; S1876-Q1880 PolarHBondContact O-N 3.16Å; S1877-Q1880 CarbonylContact O-C 3.3Å; S1877-Q1880 VanDerWaalsContact O-C 3.23Å; S1877-Q1880 WeakPolarHBondContact O-CA 3.28Å; S1877-Q1880 WeakPolarHBondContact O-CB 3.25Å; S1877-Q1880 PolarHBondContact O-N 3.47Å; C1878-Q1880 VanDerWaalsContact C-N 3.3Å; Q1880-R1883 CarbonylContact O-C 3.4Å; Q1880-R1883 WeakPolarHBondContact O-CB 3.47Å; Q1880-R1883 PolarHBondContact O-N 2.87Å; Q1880-R1883 VanDerWaalsContact O-N 3.16Å; Q1880-E1884 WeakPolarHBondContact O-CB 3.45Å; Q1880-E1884 PolarHBondContact O-N 3.3Å |
| 1881 | N | 71.7 | Confident | 71 | Confident | 77 Ų | 77 | 90.2 Ų | 90.2 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -80.5 | -18.6 | 0 | 0 | 0 | 111.3 | S1877 C1878 R1883 E1884 I1885 | S1877-N1881 VanDerWaalsContact O-CA 3.26Å; S1877-N1881 WeakPolarHBondContact O-CA 3.38Å; S1877-N1881 WeakPolarHBondContact O-CB 3.32Å; S1877-N1881 VanDerWaalsContact O-CG 3.27Å; S1877-N1881 PolarHBondContact O-N 3.43Å; C1878-N1881 CarbonylContact O-C 3.57Å; C1878-N1881 PolarHBondContact O-N 2.99Å; N1881-R1883 VanDerWaalsContact C-N 3.25Å; N1881-E1884 CarbonylContact O-C 2.2Å; N1881-E1884 PolarHBondContact O-N 3.41Å; N1881-E1884 VanDerWaalsContact O-N 3.14Å; N1881-E1884 PolarHBondContact OD1-OE2 3.32Å; N1881-I1885 VanDerWaalsContact O-CA 3.24Å; N1881-I1885 WeakPolarHBondContact O-CA 3.44Å; N1881-I1885 WeakPolarHBondContact O-CB 3.35Å; N1881-I1885 WeakPolarHBondContact O-CG1 3.2Å; N1881-I1885 PolarHBondContact O-N 3.11Å | |
| 1882 | K | 69.8 | Low | 71.1 | Confident | 136 Ų | 136 | 89 Ų | 89 | 59% | 0.591 | 46% | 0.455 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -101.7 | -177.4 | 179.4 | -179.4 | 0 | 109.8 | C1878 I1885 A1886 | C1878-K1882 WeakPolarHBondContact O-CA 3.11Å; C1878-K1882 WeakPolarHBondContact O-CB 3.46Å; C1878-K1882 WeakPolarHBondContact O-CG 3.48Å; C1878-K1882 PolarHBondContact O-N 3.41Å; K1882-I1885 PolarHBondContact O-N 2.76Å; K1882-A1886 VanDerWaalsContact O-CA 3.23Å; K1882-A1886 WeakPolarHBondContact O-CA 3.45Å; K1882-A1886 WeakPolarHBondContact O-CB 3Å; K1882-A1886 PolarHBondContact O-N 3.45Å | |
| 1883 | R | 71.1 | Confident | 71.4 | Confident | 144 Ų | 144 | 87.2 Ų | 87.2 | 54% | 0.543 | 46% | 0.457 | S | S | . | . | H | α-helix | 0 | -29.5 | 0 | -90.3 | -177.7 | -165.4 | 168.8 | 1.6 | 110.6 | R1596 K1879 Q1880 N1881 G1887 | R1596-R1883 VanDerWaalsContact CZ-CG 3.42Å; R1596-R1883 VanDerWaalsContact NH2-CG 3.27Å; K1879-R1883 VanDerWaalsContact O-CB 3.29Å; K1879-R1883 WeakPolarHBondContact O-CB 3.46Å; K1879-R1883 WeakPolarHBondContact O-CG 3.44Å; K1879-R1883 PolarHBondContact O-N 3.18Å; Q1880-R1883 CarbonylContact O-C 3.4Å; Q1880-R1883 WeakPolarHBondContact O-CB 3.47Å; Q1880-R1883 PolarHBondContact O-N 2.87Å; Q1880-R1883 VanDerWaalsContact O-N 3.16Å; N1881-R1883 VanDerWaalsContact C-N 3.25Å; R1883-G1887 PolarHBondContact O-N 3.31Å | |
| 1884 | E | 71.4 | Confident | 71.7 | Confident | 117 Ų | 117 | 85 Ų | 85 | 55% | 0.547 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -81.5 | 0 | 178.3 | -116.1 | 178.5 | 179.8 | 0 | 0 | 110.9 | Q1880 N1881 G1887 L1888 | Q1880-E1884 WeakPolarHBondContact O-CB 3.45Å; Q1880-E1884 PolarHBondContact O-N 3.3Å; N1881-E1884 CarbonylContact O-C 2.2Å; N1881-E1884 PolarHBondContact O-N 3.41Å; N1881-E1884 VanDerWaalsContact O-N 3.14Å; N1881-E1884 PolarHBondContact OD1-OE2 3.32Å; E1884-G1887 CarbonylContact O-C 2.45Å; E1884-G1887 PolarHBondContact O-N 3.15Å; E1884-L1888 WeakPolarHBondContact O-CB 3.47Å; E1884-L1888 WeakPolarHBondContact O-CG 3.3Å; E1884-L1888 PolarHBondContact O-N 3.01Å |
| 1885 | I | 72.7 | Confident | 72 | Confident | 86 Ų | 86 | 86.9 Ų | 86.9 | 44% | 0.441 | 45% | 0.447 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -72.8 | 175.5 | 0 | 0 | 0 | 108.6 | N1881 K1882 G1887 L1888 E1889 | N1881-I1885 VanDerWaalsContact O-CA 3.24Å; N1881-I1885 WeakPolarHBondContact O-CA 3.44Å; N1881-I1885 WeakPolarHBondContact O-CB 3.35Å; N1881-I1885 WeakPolarHBondContact O-CG1 3.2Å; N1881-I1885 PolarHBondContact O-N 3.11Å; K1882-I1885 PolarHBondContact O-N 2.76Å; I1885-G1887 VanDerWaalsContact C-N 3.27Å; I1885-L1888 CarbonylContact O-C 3.14Å; I1885-L1888 PolarHBondContact O-N 3.25Å; I1885-L1888 VanDerWaalsContact O-N 3.17Å; I1885-E1889 HydrophobicContact CG2-CG 3.93Å; I1885-E1889 VanDerWaalsContact O-CA 3.3Å; I1885-E1889 WeakPolarHBondContact O-CA 3.45Å; I1885-E1889 WeakPolarHBondContact O-CB 3.02Å; I1885-E1889 WeakPolarHBondContact O-CG 3.36Å; I1885-E1889 PolarHBondContact O-N 2.62Å | |
| 1886 | A | 73.8 | Confident | 72.3 | Confident | 32 Ų | 32 | 87.6 Ų | 87.6 | 26% | 0.264 | 45% | 0.453 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.6 | K1882 E1890 | K1882-A1886 VanDerWaalsContact O-CA 3.23Å; K1882-A1886 WeakPolarHBondContact O-CA 3.45Å; K1882-A1886 WeakPolarHBondContact O-CB 3Å; K1882-A1886 PolarHBondContact O-N 3.45Å; A1886-E1890 WeakPolarHBondContact O-CB 3.19Å; A1886-E1890 PolarHBondContact O-N 3.15Å | |
| 1887 | G | 73.1 | Confident | 72.6 | Confident | 31 Ų | 31 | 87.2 Ų | 87.2 | 32% | 0.32 | 45% | 0.454 | S | S | . | . | H | α-helix | 0 | -34.1 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | R1883 E1884 I1885 E1890 E1891 | R1883-G1887 PolarHBondContact O-N 3.31Å; E1884-G1887 CarbonylContact O-C 2.45Å; E1884-G1887 PolarHBondContact O-N 3.15Å; I1885-G1887 VanDerWaalsContact C-N 3.27Å; G1887-E1890 PolarHBondContact O-N 3.36Å; G1887-E1891 VanDerWaalsContact O-CB 3.28Å; G1887-E1891 WeakPolarHBondContact O-CB 3.4Å; G1887-E1891 PolarHBondContact O-N 3Å | |
| 1888 | L | 73.9 | Confident | 73 | Confident | 99 Ų | 99 | 93.6 Ų | 93.6 | 52% | 0.518 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -80.1 | 0 | -179.4 | -77.3 | 171.6 | 0 | 0 | 0 | 110.1 | E1884 I1885 E1890 E1891 N1892 | E1884-L1888 WeakPolarHBondContact O-CB 3.47Å; E1884-L1888 WeakPolarHBondContact O-CG 3.3Å; E1884-L1888 PolarHBondContact O-N 3.01Å; I1885-L1888 CarbonylContact O-C 3.14Å; I1885-L1888 PolarHBondContact O-N 3.25Å; I1885-L1888 VanDerWaalsContact O-N 3.17Å; L1888-E1890 VanDerWaalsContact C-N 3.31Å; L1888-E1891 CarbonylContact O-C 3.52Å; L1888-E1891 PolarHBondContact O-N 3.23Å; L1888-N1892 WeakPolarHBondContact O-CA 3.27Å; L1888-N1892 WeakPolarHBondContact O-CB 3.1Å; L1888-N1892 PolarHBondContact O-N 2.97Å |
| 1889 | E | 74.1 | Confident | 73.3 | Confident | 129 Ų | 129 | 93.4 Ų | 93.4 | 60% | 0.603 | 47% | 0.468 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -83 | 178.4 | 171.9 | 0 | 0 | 109.8 | I1885 N1892 A1893 | I1885-E1889 HydrophobicContact CG2-CG 3.93Å; I1885-E1889 VanDerWaalsContact O-CA 3.3Å; I1885-E1889 WeakPolarHBondContact O-CA 3.45Å; I1885-E1889 WeakPolarHBondContact O-CB 3.02Å; I1885-E1889 WeakPolarHBondContact O-CG 3.36Å; I1885-E1889 PolarHBondContact O-N 2.62Å; E1889-N1892 PolarHBondContact O-N 2.72Å; E1889-A1893 WeakPolarHBondContact O-CA 3.4Å; E1889-A1893 WeakPolarHBondContact O-CB 3.29Å; E1889-A1893 PolarHBondContact O-N 3.43Å | |
| 1890 | E | 73 | Confident | 73.5 | Confident | 65 Ų | 65 | 96.8 Ų | 96.8 | 30% | 0.304 | 48% | 0.479 | S | S | . | . | H | α-helix | 0 | -31.8 | 0 | -149.8 | 173.9 | -178.7 | 0 | 0 | 110.4 | Q1592 A1886 G1887 L1888 A1893 R1894 | Q1592-E1890 PolarHBondContact OE1-OE1 2.85Å; A1886-E1890 WeakPolarHBondContact O-CB 3.19Å; A1886-E1890 PolarHBondContact O-N 3.15Å; G1887-E1890 PolarHBondContact O-N 3.36Å; L1888-E1890 VanDerWaalsContact C-N 3.31Å; E1890-A1893 PolarHBondContact O-N 3.12Å; E1890-R1894 VanDerWaalsContact O-CB 3.23Å; E1890-R1894 WeakPolarHBondContact O-CB 3.47Å; E1890-R1894 WeakPolarHBondContact O-CG 3.44Å; E1890-R1894 PolarHBondContact O-N 2.92Å | |
| 1891 | E | 73.3 | Confident | 73.6 | Confident | 109 Ų | 109 | 99.5 Ų | 99.5 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.9 | 0 | 175.8 | -158.2 | 172.9 | 178.5 | 0 | 0 | 111.1 | G1887 L1888 R1894 I1895 | G1887-E1891 VanDerWaalsContact O-CB 3.28Å; G1887-E1891 WeakPolarHBondContact O-CB 3.4Å; G1887-E1891 PolarHBondContact O-N 3Å; L1888-E1891 CarbonylContact O-C 3.52Å; L1888-E1891 PolarHBondContact O-N 3.23Å; E1891-R1894 CarbonylContact O-C 3.6Å; E1891-R1894 WeakPolarHBondContact O-CB 3.2Å; E1891-R1894 PolarHBondContact O-N 3.44Å; E1891-R1894 VanDerWaalsContact O-N 3.16Å; E1891-I1895 HydrophobicContact CG-CD1 4.39Å; E1891-I1895 WeakPolarHBondContact O-CB 3.41Å; E1891-I1895 WeakPolarHBondContact O-CG1 3.38Å; E1891-I1895 PolarHBondContact O-N 3.02Å |
| 1892 | N | 74.3 | Confident | 73.6 | Confident | 94 Ų | 94 | 101.1 Ų | 101.1 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -116.1 | -30.2 | 0 | 0 | 0 | 110.7 | L1888 E1889 R1894 I1895 N1896 | L1888-N1892 WeakPolarHBondContact O-CA 3.27Å; L1888-N1892 WeakPolarHBondContact O-CB 3.1Å; L1888-N1892 PolarHBondContact O-N 2.97Å; E1889-N1892 PolarHBondContact O-N 2.72Å; N1892-R1894 VanDerWaalsContact C-N 3.25Å; N1892-I1895 PolarHBondContact O-N 3.34Å; N1892-N1896 WeakPolarHBondContact O-CA 3.41Å; N1892-N1896 WeakPolarHBondContact O-CB 3.34Å; N1892-N1896 VanDerWaalsContact O-CG 3.31Å; N1892-N1896 PolarHBondContact O-N 3.42Å; N1892-N1896 PolarHBondContact O-ND2 3.15Å | |
| 1893 | A | 76.1 | Confident | 73.7 | Confident | 58 Ų | 58 | 100.2 Ų | 100.2 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.9 | E1889 E1890 A1897 | E1889-A1893 WeakPolarHBondContact O-CA 3.4Å; E1889-A1893 WeakPolarHBondContact O-CB 3.29Å; E1889-A1893 PolarHBondContact O-N 3.43Å; E1890-A1893 PolarHBondContact O-N 3.12Å; A1893-A1897 WeakPolarHBondContact O-CB 3.49Å; A1893-A1897 PolarHBondContact O-N 3.42Å | |
| 1894 | R | 74.7 | Confident | 73.9 | Confident | 103 Ų | 103 | 100.8 Ų | 100.8 | 39% | 0.389 | 49% | 0.492 | S | S | . | . | H | α-helix | 0 | -35.3 | 0 | -88.3 | -176.9 | -159.3 | -173.6 | 0.6 | 110.4 | Q1589 E1890 E1891 N1892 A1897 R1898 | Q1589-R1894 CovalentContact NE2-NH2 1.59Å; E1890-R1894 VanDerWaalsContact O-CB 3.23Å; E1890-R1894 WeakPolarHBondContact O-CB 3.47Å; E1890-R1894 WeakPolarHBondContact O-CG 3.44Å; E1890-R1894 PolarHBondContact O-N 2.92Å; E1891-R1894 CarbonylContact O-C 3.6Å; E1891-R1894 WeakPolarHBondContact O-CB 3.2Å; E1891-R1894 PolarHBondContact O-N 3.44Å; E1891-R1894 VanDerWaalsContact O-N 3.16Å; N1892-R1894 VanDerWaalsContact C-N 3.25Å; R1894-A1897 PolarHBondContact O-N 2.62Å; R1894-R1898 VanDerWaalsContact O-CB 3.31Å; R1894-R1898 WeakPolarHBondContact O-CB 3.49Å; R1894-R1898 PolarHBondContact O-N 3.36Å | |
| 1895 | I | 75.2 | Confident | 74.1 | Confident | 82 Ų | 82 | 99 Ų | 99 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -74.1 | 0 | 178.7 | -70 | 175.2 | 0 | 0 | 0 | 110 | E1891 N1892 A1897 R1898 C1899 | E1891-I1895 HydrophobicContact CG-CD1 4.39Å; E1891-I1895 WeakPolarHBondContact O-CB 3.41Å; E1891-I1895 WeakPolarHBondContact O-CG1 3.38Å; E1891-I1895 PolarHBondContact O-N 3.02Å; N1892-I1895 PolarHBondContact O-N 3.34Å; I1895-A1897 VanDerWaalsContact C-N 3.33Å; I1895-R1898 CarbonylContact O-C 3.36Å; I1895-R1898 WeakPolarHBondContact O-CB 3.22Å; I1895-R1898 PolarHBondContact O-N 3.48Å; I1895-R1898 VanDerWaalsContact O-N 3.15Å; I1895-C1899 WeakPolarHBondContact O-CB 3.28Å; I1895-C1899 PolarHBondContact O-N 3.14Å |
| 1896 | N | 76.3 | Confident | 74.1 | Confident | 85 Ų | 85 | 99.9 Ų | 99.9 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -85.7 | -21.3 | 0 | 0 | 0 | 110.7 | N1892 C1899 R1900 | N1892-N1896 WeakPolarHBondContact O-CA 3.41Å; N1892-N1896 WeakPolarHBondContact O-CB 3.34Å; N1892-N1896 VanDerWaalsContact O-CG 3.31Å; N1892-N1896 PolarHBondContact O-N 3.42Å; N1892-N1896 PolarHBondContact O-ND2 3.15Å; N1896-C1899 PolarHBondContact O-N 3.42Å; N1896-R1900 VanDerWaalsContact O-CB 3.29Å; N1896-R1900 WeakPolarHBondContact O-CB 3.48Å; N1896-R1900 VanDerWaalsContact O-CG 3.26Å; N1896-R1900 WeakPolarHBondContact O-CG 3.46Å; N1896-R1900 PolarHBondContact O-N 3.15Å | |
| 1897 | A | 75.4 | Confident | 74.3 | Confident | 53 Ų | 53 | 103.4 Ų | 103.4 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110 | A1893 R1894 I1895 R1900 R1901 | A1893-A1897 WeakPolarHBondContact O-CB 3.49Å; A1893-A1897 PolarHBondContact O-N 3.42Å; R1894-A1897 PolarHBondContact O-N 2.62Å; I1895-A1897 VanDerWaalsContact C-N 3.33Å; A1897-R1900 PolarHBondContact O-N 3.21Å; A1897-R1901 WeakPolarHBondContact O-CB 3.36Å; A1897-R1901 PolarHBondContact O-N 2.77Å | |
| 1898 | R | 74.5 | Confident | 74.5 | Confident | 188 Ų | 188 | 108.3 Ų | 108.3 | 71% | 0.709 | 52% | 0.517 | S | S | * | . | H | α-helix | 0 | -37.4 | 0 | -145 | 177.5 | -173.1 | -168.3 | -0.1 | 111 | R1894 I1895 R1900 R1901 L1902 | R1894-R1898 VanDerWaalsContact O-CB 3.31Å; R1894-R1898 WeakPolarHBondContact O-CB 3.49Å; R1894-R1898 PolarHBondContact O-N 3.36Å; I1895-R1898 CarbonylContact O-C 3.36Å; I1895-R1898 WeakPolarHBondContact O-CB 3.22Å; I1895-R1898 PolarHBondContact O-N 3.48Å; I1895-R1898 VanDerWaalsContact O-N 3.15Å; R1898-R1900 VanDerWaalsContact C-N 3.29Å; R1898-R1901 CarbonylContact O-C 3.24Å; R1898-R1901 PolarHBondContact O-N 3.2Å; R1898-L1902 VanDerWaalsContact O-CB 3.31Å; R1898-L1902 WeakPolarHBondContact O-CB 3.44Å; R1898-L1902 PolarHBondContact O-N 3.14Å | |
| 1899 | C | 73.2 | Confident | 74.6 | Confident | 66 Ų | 66 | 108.2 Ų | 108.2 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.1 | 0 | 176.9 | -85.6 | 0 | 0 | 0 | 0 | 110.9 | I1895 N1896 L1902 Q1903 | I1895-C1899 WeakPolarHBondContact O-CB 3.28Å; I1895-C1899 PolarHBondContact O-N 3.14Å; N1896-C1899 PolarHBondContact O-N 3.42Å; C1899-L1902 CarbonylContact O-C 3.42Å; C1899-L1902 PolarHBondContact O-N 2.59Å; C1899-Q1903 WeakPolarHBondContact O-CA 3.24Å; C1899-Q1903 WeakPolarHBondContact O-CB 3.46Å; C1899-Q1903 PolarHBondContact O-N 3.41Å |
| 1900 | R | 74.3 | Confident | 74.6 | Confident | 157 Ų | 157 | 105.7 Ų | 105.7 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -83.7 | -172.9 | -151.7 | -178.3 | -1 | 110 | N1896 A1897 R1898 Q1903 R1904 | N1896-R1900 VanDerWaalsContact O-CB 3.29Å; N1896-R1900 WeakPolarHBondContact O-CB 3.48Å; N1896-R1900 VanDerWaalsContact O-CG 3.26Å; N1896-R1900 WeakPolarHBondContact O-CG 3.46Å; N1896-R1900 PolarHBondContact O-N 3.15Å; A1897-R1900 PolarHBondContact O-N 3.21Å; R1898-R1900 VanDerWaalsContact C-N 3.29Å; R1900-Q1903 CarbonylContact O-C 3.44Å; R1900-Q1903 PolarHBondContact O-N 3.05Å; R1900-R1904 VanDerWaalsContact O-CB 3.31Å; R1900-R1904 WeakPolarHBondContact O-CB 3.09Å; R1900-R1904 WeakPolarHBondContact O-CG 2.81Å; R1900-R1904 PolarHBondContact O-N 3.27Å | |
| 1901 | R | 74.1 | Confident | 74.8 | Confident | 178 Ų | 178 | 107.9 Ų | 107.9 | 67% | 0.672 | 52% | 0.519 | S | S | * | . | H | α-helix | 0 | -41 | 0 | -112.4 | -176.8 | -144.6 | -170.1 | -0.2 | 110.6 | A1897 R1898 Q1903 R1904 D1905 | A1897-R1901 WeakPolarHBondContact O-CB 3.36Å; A1897-R1901 PolarHBondContact O-N 2.77Å; R1898-R1901 CarbonylContact O-C 3.24Å; R1898-R1901 PolarHBondContact O-N 3.2Å; R1901-Q1903 VanDerWaalsContact C-N 3.3Å; R1901-R1904 CarbonylContact O-C 2.14Å; R1901-R1904 PolarHBondContact O-N 3.19Å; R1901-D1905 VanDerWaalsContact O-CB 3.28Å; R1901-D1905 WeakPolarHBondContact O-CB 3.26Å; R1901-D1905 PolarHBondContact O-N 3.05Å | |
| 1902 | L | 71 | Confident | 75 | Confident | 111 Ų | 111 | 104.9 Ų | 104.9 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.7 | 0 | 176.8 | -87.4 | 159.6 | 0 | 0 | 0 | 111.4 | R1898 C1899 D1905 L1906 | R1898-L1902 VanDerWaalsContact O-CB 3.31Å; R1898-L1902 WeakPolarHBondContact O-CB 3.44Å; R1898-L1902 PolarHBondContact O-N 3.14Å; C1899-L1902 CarbonylContact O-C 3.42Å; C1899-L1902 PolarHBondContact O-N 2.59Å; L1902-D1905 CarbonylContact O-C 3.13Å; L1902-D1905 PolarHBondContact O-N 3.35Å; L1902-L1906 WeakPolarHBondContact O-CA 3.42Å; L1902-L1906 WeakPolarHBondContact O-CB 3.43Å; L1902-L1906 PolarHBondContact O-N 3.1Å |
| 1903 | Q | 72.4 | Confident | 75.1 | Confident | 117 Ų | 117 | 106.2 Ų | 106.2 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -136.8 | 173 | -4.1 | 0 | 0 | 110.5 | C1899 R1900 R1901 L1906 E1907 | C1899-Q1903 WeakPolarHBondContact O-CA 3.24Å; C1899-Q1903 WeakPolarHBondContact O-CB 3.46Å; C1899-Q1903 PolarHBondContact O-N 3.41Å; R1900-Q1903 CarbonylContact O-C 3.44Å; R1900-Q1903 PolarHBondContact O-N 3.05Å; R1901-Q1903 VanDerWaalsContact C-N 3.3Å; Q1903-L1906 PolarHBondContact O-N 2.43Å; Q1903-E1907 VanDerWaalsContact O-CB 3.3Å; Q1903-E1907 WeakPolarHBondContact O-CB 3.08Å; Q1903-E1907 VanDerWaalsContact O-CG 3.28Å; Q1903-E1907 WeakPolarHBondContact O-CG 3.33Å; Q1903-E1907 PolarHBondContact O-N 2.74Å | |
| 1904 | R | 76 | Confident | 75.1 | Confident | 156 Ų | 156 | 110 Ų | 110 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | 0 | 0 | 0 | -91.1 | -172.3 | -143.4 | 141.2 | -1.5 | 110.1 | R1900 R1901 L1906 E1907 E1908 | R1900-R1904 VanDerWaalsContact O-CB 3.31Å; R1900-R1904 WeakPolarHBondContact O-CB 3.09Å; R1900-R1904 WeakPolarHBondContact O-CG 2.81Å; R1900-R1904 PolarHBondContact O-N 3.27Å; R1901-R1904 CarbonylContact O-C 2.14Å; R1901-R1904 PolarHBondContact O-N 3.19Å; R1904-L1906 VanDerWaalsContact C-N 3.32Å; R1904-E1907 PolarHBondContact O-N 3.24Å; R1904-E1908 VanDerWaalsContact O-CB 3.29Å; R1904-E1908 WeakPolarHBondContact O-CB 3.2Å; R1904-E1908 PolarHBondContact O-N 2.79Å | |
| 1905 | D | 75.3 | Confident | 75.1 | Confident | 81 Ų | 81 | 108.1 Ų | 108.1 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | H | α-helix | 0 | -34.7 | 0 | -76.3 | -10.8 | 0 | 0 | 0 | 110.6 | R1901 L1902 E1908 V1909 | R1901-D1905 VanDerWaalsContact O-CB 3.28Å; R1901-D1905 WeakPolarHBondContact O-CB 3.26Å; R1901-D1905 PolarHBondContact O-N 3.05Å; L1902-D1905 CarbonylContact O-C 3.13Å; L1902-D1905 PolarHBondContact O-N 3.35Å; D1905-E1908 PolarHBondContact O-N 2.79Å; D1905-V1909 VanDerWaalsContact O-CB 3.26Å; D1905-V1909 WeakPolarHBondContact O-CB 3.35Å; D1905-V1909 WeakPolarHBondContact O-CG2 2.94Å; D1905-V1909 PolarHBondContact O-N 3.49Å | |
| 1906 | L | 73.3 | Confident | 75.1 | Confident | 104 Ų | 104 | 108.8 Ų | 108.8 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.5 | 0 | 176.5 | -168.6 | 90.6 | 0 | 0 | 0 | 111 | L1902 Q1903 R1904 E1908 V1909 M1910 | L1902-L1906 WeakPolarHBondContact O-CA 3.42Å; L1902-L1906 WeakPolarHBondContact O-CB 3.43Å; L1902-L1906 PolarHBondContact O-N 3.1Å; Q1903-L1906 PolarHBondContact O-N 2.43Å; R1904-L1906 VanDerWaalsContact C-N 3.32Å; L1906-E1908 VanDerWaalsContact C-N 3.35Å; L1906-V1909 PolarHBondContact O-N 2.7Å; L1906-M1910 HydrophobicContact CD2-SD 4.25Å; L1906-M1910 HydrophobicContact CG-CG 4.26Å; L1906-M1910 HydrophobicContact CG-SD 4.4Å; L1906-M1910 WeakPolarHBondContact O-CA 3.36Å; L1906-M1910 WeakPolarHBondContact O-CB 3.39Å; L1906-M1910 WeakPolarHBondContact O-CG 3.5Å; L1906-M1910 PolarHBondContact O-N 3.14Å |
| 1907 | E | 76.9 | Confident | 74.7 | Confident | 105 Ų | 105 | 109 Ų | 109 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -82.8 | 175.3 | -177.6 | 0 | 0 | 110.4 | Q1903 R1904 M1910 E1911 | Q1903-E1907 VanDerWaalsContact O-CB 3.3Å; Q1903-E1907 WeakPolarHBondContact O-CB 3.08Å; Q1903-E1907 VanDerWaalsContact O-CG 3.28Å; Q1903-E1907 WeakPolarHBondContact O-CG 3.33Å; Q1903-E1907 PolarHBondContact O-N 2.74Å; R1904-E1907 PolarHBondContact O-N 3.24Å; E1907-M1910 HydrophobicContact CG-CE 4.03Å; E1907-M1910 PolarHBondContact O-N 2.64Å; E1907-E1911 WeakPolarHBondContact O-CA 3.29Å; E1907-E1911 WeakPolarHBondContact O-CB 3.03Å; E1907-E1911 PolarHBondContact O-N 2.97Å | |
| 1908 | E | 77.1 | Confident | 74.6 | Confident | 135 Ų | 135 | 113.3 Ų | 113.3 | 63% | 0.631 | 52% | 0.523 | S | S | * | . | H | α-helix | 0 | -35.5 | 0 | -95.1 | 179.6 | -178.1 | 0 | 0 | 110.4 | R1904 D1905 L1906 E1911 A1912 | R1904-E1908 VanDerWaalsContact O-CB 3.29Å; R1904-E1908 WeakPolarHBondContact O-CB 3.2Å; R1904-E1908 PolarHBondContact O-N 2.79Å; D1905-E1908 PolarHBondContact O-N 2.79Å; L1906-E1908 VanDerWaalsContact C-N 3.35Å; E1908-E1911 PolarHBondContact O-N 3.14Å; E1908-A1912 WeakPolarHBondContact O-CB 3.35Å; E1908-A1912 PolarHBondContact O-N 2.97Å | |
| 1909 | V | 75.4 | Confident | 74.4 | Confident | 96 Ų | 96 | 108.4 Ų | 108.4 | 58% | 0.582 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.7 | 0 | 177.6 | 170.7 | 0 | 0 | 0 | 0 | 109.6 | D1905 L1906 A1912 K1913 | D1905-V1909 VanDerWaalsContact O-CB 3.26Å; D1905-V1909 WeakPolarHBondContact O-CB 3.35Å; D1905-V1909 WeakPolarHBondContact O-CG2 2.94Å; D1905-V1909 PolarHBondContact O-N 3.49Å; L1906-V1909 PolarHBondContact O-N 2.7Å; V1909-A1912 CarbonylContact O-C 3.48Å; V1909-A1912 PolarHBondContact O-N 2.81Å; V1909-K1913 WeakPolarHBondContact O-CA 3.33Å; V1909-K1913 WeakPolarHBondContact O-CB 3.5Å; V1909-K1913 PolarHBondContact O-N 2.74Å |
| 1910 | M | 74.7 | Confident | 74 | Confident | 77 Ų | 77 | 108.6 Ų | 108.6 | 38% | 0.379 | 51% | 0.507 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -77.4 | -168.2 | -42 | 0 | 0 | 110.7 | L1906 E1907 K1913 R1914 | L1906-M1910 HydrophobicContact CD2-SD 4.25Å; L1906-M1910 HydrophobicContact CG-CG 4.26Å; L1906-M1910 HydrophobicContact CG-SD 4.4Å; L1906-M1910 WeakPolarHBondContact O-CA 3.36Å; L1906-M1910 WeakPolarHBondContact O-CB 3.39Å; L1906-M1910 WeakPolarHBondContact O-CG 3.5Å; L1906-M1910 PolarHBondContact O-N 3.14Å; E1907-M1910 HydrophobicContact CG-CE 4.03Å; E1907-M1910 PolarHBondContact O-N 2.64Å; M1910-K1913 CarbonylContact O-C 3.46Å; M1910-K1913 WeakPolarHBondContact O-CB 3.33Å; M1910-K1913 PolarHBondContact O-N 3.18Å; M1910-R1914 WeakPolarHBondContact O-CB 3.35Å; M1910-R1914 WeakPolarHBondContact O-CG 3.17Å; M1910-R1914 PolarHBondContact O-N 2.76Å | |
| 1911 | E | 77.6 | Confident | 73.4 | Confident | 110 Ų | 110 | 106.7 Ų | 106.7 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -160.9 | 102.7 | -165.8 | 0 | 0 | 110 | E1907 E1908 R1914 T1915 | E1907-E1911 WeakPolarHBondContact O-CA 3.29Å; E1907-E1911 WeakPolarHBondContact O-CB 3.03Å; E1907-E1911 PolarHBondContact O-N 2.97Å; E1908-E1911 PolarHBondContact O-N 3.14Å; E1911-R1914 PolarHBondContact O-N 2.81Å; E1911-T1915 WeakPolarHBondContact O-CB 3.42Å; E1911-T1915 PolarHBondContact O-N 2.54Å; E1911-T1915 PolarHBondContact O-OG1 2.88Å | |
| 1912 | A | 77.1 | Confident | 72.8 | Confident | 46 Ų | 46 | 102.2 Ų | 102.2 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.2 | E1908 V1909 T1915 I1916 | E1908-A1912 WeakPolarHBondContact O-CB 3.35Å; E1908-A1912 PolarHBondContact O-N 2.97Å; V1909-A1912 CarbonylContact O-C 3.48Å; V1909-A1912 PolarHBondContact O-N 2.81Å; A1912-T1915 WeakPolarHBondContact CA-OG1 3.45Å; A1912-T1915 PolarHBondContact O-N 2.59Å; A1912-I1916 WeakPolarHBondContact O-CB 3.4Å; A1912-I1916 WeakPolarHBondContact O-CG1 3.44Å; A1912-I1916 PolarHBondContact O-N 3.21Å | |
| 1913 | K | 76.4 | Confident | 71.9 | Confident | 123 Ų | 123 | 102.7 Ų | 102.7 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -174.7 | -177.3 | 173.5 | -176.3 | 0 | 111.3 | V1909 M1910 T1915 I1916 E1917 | V1909-K1913 WeakPolarHBondContact O-CA 3.33Å; V1909-K1913 WeakPolarHBondContact O-CB 3.5Å; V1909-K1913 PolarHBondContact O-N 2.74Å; M1910-K1913 CarbonylContact O-C 3.46Å; M1910-K1913 WeakPolarHBondContact O-CB 3.33Å; M1910-K1913 PolarHBondContact O-N 3.18Å; K1913-T1915 VanDerWaalsContact C-N 3.34Å; K1913-I1916 CarbonylContact O-C 3.55Å; K1913-I1916 PolarHBondContact O-N 2.96Å; K1913-E1917 WeakPolarHBondContact CE-OE1 3.42Å; K1913-E1917 HydrophobicContact CG-CG 4.08Å; K1913-E1917 IonicContact NZ-OE1 2.66Å; K1913-E1917 VanDerWaalsContact O-CA 3.32Å; K1913-E1917 WeakPolarHBondContact O-CA 3.36Å; K1913-E1917 WeakPolarHBondContact O-CB 3.14Å; K1913-E1917 WeakPolarHBondContact O-CG 3.17Å; K1913-E1917 PolarHBondContact O-N 2.74Å | |
| 1914 | R | 76.5 | Confident | 71 | Confident | 138 Ų | 138 | 104.6 Ų | 104.6 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -85.1 | -175.3 | -175 | 155.1 | -0.7 | 110 | M1910 E1911 E1917 R1918 | M1910-R1914 WeakPolarHBondContact O-CB 3.35Å; M1910-R1914 WeakPolarHBondContact O-CG 3.17Å; M1910-R1914 PolarHBondContact O-N 2.76Å; E1911-R1914 PolarHBondContact O-N 2.81Å; R1914-E1917 CarbonylContact O-C 3.54Å; R1914-E1917 PolarHBondContact O-N 3.5Å; R1914-R1918 WeakPolarHBondContact O-CA 3.42Å; R1914-R1918 WeakPolarHBondContact O-CB 3.4Å; R1914-R1918 PolarHBondContact O-N 3.3Å | |
| 1915 | T | 74.4 | Confident | 69.7 | Low | 62 Ų | 62 | 105.4 Ų | 105.4 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -20.3 | 0 | 0 | 0 | 0 | 109.6 | E1911 A1912 K1913 E1917 R1918 D1919 | E1911-T1915 WeakPolarHBondContact O-CB 3.42Å; E1911-T1915 PolarHBondContact O-N 2.54Å; E1911-T1915 PolarHBondContact O-OG1 2.88Å; A1912-T1915 WeakPolarHBondContact CA-OG1 3.45Å; A1912-T1915 PolarHBondContact O-N 2.59Å; K1913-T1915 VanDerWaalsContact C-N 3.34Å; T1915-E1917 VanDerWaalsContact C-N 3.34Å; T1915-R1918 CarbonylContact O-C 2.89Å; T1915-R1918 PolarHBondContact O-N 3.23Å; T1915-D1919 WeakPolarHBondContact O-CA 3.26Å; T1915-D1919 WeakPolarHBondContact O-CB 3.07Å; T1915-D1919 PolarHBondContact O-N 3.2Å | |
| 1916 | I | 74.8 | Confident | 68.4 | Low | 97 Ų | 97 | 109.2 Ų | 109.2 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -71.4 | 174.8 | 0 | 0 | 0 | 109.7 | A1912 K1913 D1919 L1920 | A1912-I1916 WeakPolarHBondContact O-CB 3.4Å; A1912-I1916 WeakPolarHBondContact O-CG1 3.44Å; A1912-I1916 PolarHBondContact O-N 3.21Å; K1913-I1916 CarbonylContact O-C 3.55Å; K1913-I1916 PolarHBondContact O-N 2.96Å; I1916-D1919 CarbonylContact O-C 3.17Å; I1916-D1919 PolarHBondContact O-N 2.99Å; I1916-L1920 HydrophobicContact CG2-CD1 3.37Å; I1916-L1920 HydrophobicContact CG2-CG 4.35Å; I1916-L1920 WeakPolarHBondContact O-CA 3.33Å; I1916-L1920 WeakPolarHBondContact O-CB 3.49Å; I1916-L1920 PolarHBondContact O-N 2.85Å | |
| 1917 | E | 69.5 | Low | 66.9 | Low | 88 Ų | 88 | 108.2 Ų | 108.2 | 41% | 0.411 | 53% | 0.528 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -80.3 | 177.8 | 170.3 | 0 | 0 | 111 | K1913 R1914 T1915 L1920 Q1921 | K1913-E1917 WeakPolarHBondContact CE-OE1 3.42Å; K1913-E1917 HydrophobicContact CG-CG 4.08Å; K1913-E1917 IonicContact NZ-OE1 2.66Å; K1913-E1917 VanDerWaalsContact O-CA 3.32Å; K1913-E1917 WeakPolarHBondContact O-CA 3.36Å; K1913-E1917 WeakPolarHBondContact O-CB 3.14Å; K1913-E1917 WeakPolarHBondContact O-CG 3.17Å; K1913-E1917 PolarHBondContact O-N 2.74Å; R1914-E1917 CarbonylContact O-C 3.54Å; R1914-E1917 PolarHBondContact O-N 3.5Å; T1915-E1917 VanDerWaalsContact C-N 3.34Å; E1917-L1920 CarbonylContact O-C 3.07Å; E1917-L1920 PolarHBondContact O-N 3.44Å; E1917-Q1921 WeakPolarHBondContact O-CA 3.37Å; E1917-Q1921 WeakPolarHBondContact O-CB 3.44Å; E1917-Q1921 PolarHBondContact O-N 2.78Å | |
| 1918 | R | 73.1 | Confident | 65.1 | Low | 145 Ų | 145 | 113.4 Ų | 113.4 | 55% | 0.547 | 54% | 0.543 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -117.9 | -175.7 | -139.7 | 133.5 | -0.8 | 109.9 | R1914 T1915 Q1921 N1922 | R1914-R1918 WeakPolarHBondContact O-CA 3.42Å; R1914-R1918 WeakPolarHBondContact O-CB 3.4Å; R1914-R1918 PolarHBondContact O-N 3.3Å; T1915-R1918 CarbonylContact O-C 2.89Å; T1915-R1918 PolarHBondContact O-N 3.23Å; R1918-Q1921 CarbonylContact O-C 3.24Å; R1918-Q1921 PolarHBondContact O-N 3.46Å; R1918-N1922 VanDerWaalsContact O-CA 3.31Å; R1918-N1922 WeakPolarHBondContact O-CA 3.35Å; R1918-N1922 WeakPolarHBondContact O-CB 3.1Å; R1918-N1922 PolarHBondContact O-N 3.06Å; R1918-N1922 PolarHBondContact O-ND2 3.44Å; R1918-N1922 PolarHBondContact O-OD1 3.24Å | |
| 1919 | D | 69.8 | Low | 63.2 | Low | 84 Ų | 84 | 113.2 Ų | 113.2 | 45% | 0.449 | 55% | 0.551 | S | S | . | * | H | α-helix | 0 | 0 | 0 | -76.3 | -13.1 | 0 | 0 | 0 | 109.7 | T1915 I1916 N1922 L1923 | T1915-D1919 WeakPolarHBondContact O-CA 3.26Å; T1915-D1919 WeakPolarHBondContact O-CB 3.07Å; T1915-D1919 PolarHBondContact O-N 3.2Å; I1916-D1919 CarbonylContact O-C 3.17Å; I1916-D1919 PolarHBondContact O-N 2.99Å; D1919-N1922 CarbonylContact O-C 3.56Å; D1919-N1922 PolarHBondContact O-N 3.26Å; D1919-L1923 VanDerWaalsContact O-CA 3.31Å; D1919-L1923 WeakPolarHBondContact O-CA 3.24Å; D1919-L1923 WeakPolarHBondContact O-CB 3.22Å; D1919-L1923 VanDerWaalsContact O-CD1 3.23Å; D1919-L1923 WeakPolarHBondContact O-CD1 3.26Å; D1919-L1923 WeakPolarHBondContact O-CG 3.18Å; D1919-L1923 PolarHBondContact O-N 2.92Å | |
| 1920 | L | 64.1 | Low | 61.4 | Low | 70 Ų | 70 | 114.8 Ų | 114.8 | 37% | 0.366 | 56% | 0.561 | S | S | . | * | H | α-helix | 0 | 0 | 0 | -110.4 | 148.5 | 0 | 0 | 0 | 110.2 | I1916 E1917 L1923 R1924 | I1916-L1920 HydrophobicContact CG2-CD1 3.37Å; I1916-L1920 HydrophobicContact CG2-CG 4.35Å; I1916-L1920 WeakPolarHBondContact O-CA 3.33Å; I1916-L1920 WeakPolarHBondContact O-CB 3.49Å; I1916-L1920 PolarHBondContact O-N 2.85Å; E1917-L1920 CarbonylContact O-C 3.07Å; E1917-L1920 PolarHBondContact O-N 3.44Å; L1920-L1923 CarbonylContact O-C 3.55Å; L1920-L1923 PolarHBondContact O-N 3.12Å; L1920-R1924 HydrophobicContact CD2-CG 4.28Å; L1920-R1924 WeakPolarHBondContact O-CA 3.45Å; L1920-R1924 WeakPolarHBondContact O-CB 3.49Å; L1920-R1924 WeakPolarHBondContact O-CD 3.38Å; L1920-R1924 WeakPolarHBondContact O-CG 3.31Å; L1920-R1924 PolarHBondContact O-N 3.14Å | |
| 1921 | Q | 62.5 | Low | 59.5 | Low | 117 Ų | 117 | 122.9 Ų | 122.9 | 55% | 0.547 | 59% | 0.587 | S | S | . | * | H | α-helix | 0 | 0 | 0 | -121.4 | 176.8 | -5.2 | 0 | 0 | 110.6 | E1917 R1918 K1925 | E1917-Q1921 WeakPolarHBondContact O-CA 3.37Å; E1917-Q1921 WeakPolarHBondContact O-CB 3.44Å; E1917-Q1921 PolarHBondContact O-N 2.78Å; R1918-Q1921 CarbonylContact O-C 3.24Å; R1918-Q1921 PolarHBondContact O-N 3.46Å; Q1921-K1925 WeakPolarHBondContact O-CB 3.43Å; Q1921-K1925 WeakPolarHBondContact O-CG 3.27Å; Q1921-K1925 PolarHBondContact O-N 3.23Å | |
| 1922 | N | 60.9 | Low | 57.5 | Low | 85 Ų | 85 | 123 Ų | 123 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | 0 | 0 | 0 | -78.1 | -16.6 | 0 | 0 | 0 | 110.1 | R1918 D1919 L1926 | R1918-N1922 VanDerWaalsContact O-CA 3.31Å; R1918-N1922 WeakPolarHBondContact O-CA 3.35Å; R1918-N1922 WeakPolarHBondContact O-CB 3.1Å; R1918-N1922 PolarHBondContact O-N 3.06Å; R1918-N1922 PolarHBondContact O-ND2 3.44Å; R1918-N1922 PolarHBondContact O-OD1 3.24Å; D1919-N1922 CarbonylContact O-C 3.56Å; D1919-N1922 PolarHBondContact O-N 3.26Å; N1922-L1926 WeakPolarHBondContact O-CD1 3.39Å; N1922-L1926 PolarHBondContact O-N 3.08Å | |
| 1923 | L | 52.8 | Low | 55.6 | Low | 120 Ų | 120 | 127.7 Ų | 127.7 | 63% | 0.628 | 62% | 0.616 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -88.3 | 154 | 0 | 0 | 0 | 110 | D1919 L1920 L1926 S1927 | D1919-L1923 VanDerWaalsContact O-CA 3.31Å; D1919-L1923 WeakPolarHBondContact O-CA 3.24Å; D1919-L1923 WeakPolarHBondContact O-CB 3.22Å; D1919-L1923 VanDerWaalsContact O-CD1 3.23Å; D1919-L1923 WeakPolarHBondContact O-CD1 3.26Å; D1919-L1923 WeakPolarHBondContact O-CG 3.18Å; D1919-L1923 PolarHBondContact O-N 2.92Å; L1920-L1923 CarbonylContact O-C 3.55Å; L1920-L1923 PolarHBondContact O-N 3.12Å; L1923-L1926 CarbonylContact O-C 3.2Å; L1923-S1927 WeakPolarHBondContact O-CB 3.32Å; L1923-S1927 PolarHBondContact O-N 3.16Å | |
| 1924 | R | 52 | Low | 53.7 | Low | 158 Ų | 158 | 132.8 Ų | 132.8 | 60% | 0.596 | 63% | 0.632 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -85.8 | -176.8 | -177.9 | 166.2 | 0.7 | 110.5 | L1920 S1927 | L1920-R1924 HydrophobicContact CD2-CG 4.28Å; L1920-R1924 WeakPolarHBondContact O-CA 3.45Å; L1920-R1924 WeakPolarHBondContact O-CB 3.49Å; L1920-R1924 WeakPolarHBondContact O-CD 3.38Å; L1920-R1924 WeakPolarHBondContact O-CG 3.31Å; L1920-R1924 PolarHBondContact O-N 3.14Å; R1924-S1927 VanDerWaalsContact O-O 3.1Å | |
| 1925 | K | 50.4 | Low | 51.7 | Low | 173 Ų | 173 | 133.9 Ų | 133.9 | 75% | 0.752 | 64% | 0.643 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -86.9 | -175.2 | -178.1 | -178.6 | 0 | 110 | Q1921 | Q1921-K1925 WeakPolarHBondContact O-CB 3.43Å; Q1921-K1925 WeakPolarHBondContact O-CG 3.27Å; Q1921-K1925 PolarHBondContact O-N 3.23Å | |
| 1926 | L | 47.9 | Very low | 49.9 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 84% | 0.838 | 66% | 0.659 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -101.8 | 123.8 | 0 | 0 | 0 | 109.5 | N1922 L1923 | N1922-L1926 WeakPolarHBondContact O-CD1 3.39Å; N1922-L1926 PolarHBondContact O-N 3.08Å; L1923-L1926 CarbonylContact O-C 3.2Å | |
| 1927 | S | 42.1 | Very low | 48.2 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 58% | 0.58 | 67% | 0.665 | S | S | * | * | S | Bend | 0 | 0 | 0 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | L1923 R1924 | L1923-S1927 WeakPolarHBondContact O-CB 3.32Å; L1923-S1927 PolarHBondContact O-N 3.16Å; R1924-S1927 VanDerWaalsContact O-O 3.1Å | |
| 1928 | R | 38.7 | Very low | 46.7 | Very low | 214 Ų | 214 | 139.1 Ų | 139.1 | 81% | 0.808 | 68% | 0.682 | S | S | * | * | 0 | 0 | 0 | -99.3 | -179 | -179 | 178.7 | 0.1 | 109.4 | |||||
| 1929 | T | 36.8 | Very low | 45.1 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | 0 | 82.8 | 0 | 36.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1930 | T | 37.1 | Very low | 43.4 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 145 | 0 | 132.7 | 27.6 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1931 | R | 34.2 | Very low | 42 | Very low | 248 Ų | 248 | 141.6 Ų | 141.6 | 94% | 0.936 | 72% | 0.716 | S | S | * | * | 0 | 0 | 0 | -98.8 | -174.8 | -177.6 | -173.8 | -0.4 | 110.3 | |||||
| 1932 | P | 36.3 | Very low | 40.8 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | 0 | 0 | 0 | 33.9 | -4.6 | 0 | 0 | 0 | 112 | |||||
| 1933 | N | 36.4 | Very low | 39.7 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | 0 | 0 | 0 | -120 | 2.3 | 0 | 0 | 0 | 109.9 | |||||
| 1934 | R | 36.4 | Very low | 39 | Very low | 230 Ų | 230 | 143.5 Ų | 143.5 | 87% | 0.868 | 74% | 0.742 | S | S | * | * | 0 | 0 | 0 | -107.1 | -177.9 | -179.6 | 178.2 | -1.1 | 109.5 | |||||
| 1935 | Q | 35.5 | Very low | 38.7 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | 0 | 0 | 0 | -86.7 | -175.6 | -4.6 | 0 | 0 | 110.8 | |||||
| 1936 | L | 35.5 | Very low | 38.1 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | 0 | 0 | 0 | -94.8 | 132.2 | 0 | 0 | 0 | 109.6 | |||||
| 1937 | P | 41.1 | Very low | 37.8 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 63% | 0.63 | 74% | 0.739 | S | S | * | * | 0 | 0 | 0 | 32.2 | -2.6 | 0 | 0 | 0 | 112.2 | |||||
| 1938 | T | 37.9 | Very low | 37.7 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | 0 | 0 | 0 | -23.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 1939 | V | 37.8 | Very low | 37.8 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | 0 | 0 | 0 | 177.2 | 0 | 0 | 0 | 0 | 108 | |||||
| 1940 | L | 34.4 | Very low | 37.9 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | 0 | 0 | 0 | -104.2 | 133.9 | 0 | 0 | 0 | 110.2 | |||||
| 1941 | S | 35 | Very low | 38 | Very low | 77 Ų | 77 | 133.6 Ų | 133.6 | 54% | 0.538 | 72% | 0.722 | S | S | . | * | 0 | 0 | 0 | 137.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 1942 | T | 37.4 | Very low | 38.3 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | 0 | 0 | 0 | 43.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1943 | L | 37.6 | Very low | 38.4 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | 0 | 0 | 0 | -80.3 | 156.9 | 0 | 0 | 0 | 109.6 | |||||
| 1944 | S | 39 | Very low | 38.5 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 73% | 0.734 | 70% | 0.698 | S | S | * | * | 0 | 0 | 0 | -53.2 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1945 | P | 45 | Very low | 38.6 | Very low | 108 Ų | 108 | 121.2 Ų | 121.2 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | 0 | 0 | 0 | 33.9 | -4.8 | 0 | 0 | 0 | 112 | |||||
| 1946 | D | 38.5 | Very low | 38.7 | Very low | 154 Ų | 154 | 120.1 Ų | 120.1 | 82% | 0.824 | 69% | 0.692 | S | S | * | * | 0 | 0 | 0 | -103.9 | -10 | 0 | 0 | 0 | 109.3 | |||||
| 1947 | V | 40.7 | Very low | 38.5 | Very low | 99 Ų | 99 | 121.4 Ų | 121.4 | 60% | 0.6 | 69% | 0.694 | S | S | * | * | 0 | 0 | 0 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1948 | T | 40.5 | Very low | 38.1 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | 0 | 114.8 | 0 | 44.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 1949 | V | 40.7 | Very low | 38 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 60% | 0.6 | 68% | 0.684 | S | S | * | * | 122.3 | 108.8 | 101.8 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1950 | D | 38.4 | Very low | 37.9 | Very low | 124 Ų | 124 | 120.5 Ų | 120.5 | 66% | 0.663 | 68% | 0.683 | S | S | * | * | 113.5 | 107.6 | 103.3 | -95 | -15.8 | 0 | 0 | 0 | 109.7 | |||||
| 1951 | E | 40.3 | Very low | 38.1 | Very low | 146 Ų | 146 | 120.1 Ų | 120.1 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | 110.1 | 105.5 | 109.3 | -95.5 | -176.1 | 177.3 | 0 | 0 | 110.2 | |||||
| 1952 | H | 39.1 | Very low | 38.3 | Very low | 137 Ų | 137 | 121.4 Ų | 121.4 | 63% | 0.634 | 68% | 0.684 | S | S | * | * | 104.4 | 108.4 | 97 | -98.3 | -27.5 | 0 | 0 | 0 | 110.2 | |||||
| 1953 | N | 39.3 | Very low | 38.7 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 65% | 0.652 | 68% | 0.683 | S | S | * | * | 108.2 | 105.8 | 101 | -100.1 | -4.7 | 0 | 0 | 0 | 110.4 | |||||
| 1954 | S | 39.6 | Very low | 38.9 | Very low | 92 Ų | 92 | 119.5 Ų | 119.5 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | 104.6 | 104.7 | 100.3 | 70.2 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1955 | V | 37.6 | Very low | 39.2 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 74% | 0.739 | 68% | 0.681 | S | S | * | * | 76.3 | 115.8 | 88.4 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1956 | N | 37.7 | Very low | 39.2 | Very low | 140 Ų | 140 | 119.3 Ų | 119.3 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | 59 | 105 | 123.4 | -96 | -6.6 | 0 | 0 | 0 | 111.2 | |||||
| 1957 | E | 30.6 | Very low | 39.7 | Very low | 160 Ų | 160 | 115.6 Ų | 115.6 | 75% | 0.748 | 65% | 0.647 | S | S | * | * | trans | 136.6 | 95.1 | 148.6 | -99 | -175.4 | 176.5 | 0 | 0 | 109.6 | ||||
| 1958 | L | 34.3 | Very low | 40 | Very low | 106 Ų | 106 | 114.1 Ų | 114.1 | 56% | 0.555 | 64% | 0.641 | S | S | * | * | 108.7 | 88.6 | 101.2 | -91.7 | 146.6 | 0 | 0 | 0 | 110 | |||||
| 1959 | D | 34.2 | Very low | 40.4 | Very low | 122 Ų | 122 | 110.5 Ų | 110.5 | 65% | 0.652 | 63% | 0.625 | S | S | * | * | 78.9 | 107.5 | 65.7 | -89.5 | -13.2 | 0 | 0 | 0 | 110.5 | |||||
| 1960 | S | 36.7 | Very low | 40.5 | Very low | 106 Ų | 106 | 109.2 Ų | 109.2 | 74% | 0.741 | 62% | 0.621 | S | S | * | * | trans | 114.3 | 87.1 | 162.3 | 64.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1961 | I | 38.5 | Very low | 40.6 | Very low | 136 Ų | 136 | 106.1 Ų | 106.1 | 70% | 0.697 | 61% | 0.607 | S | S | * | * | 159.1 | 95.8 | 112.3 | -66.8 | 174.2 | 0 | 0 | 0 | 108.1 | |||||
| 1962 | T | 39.2 | Very low | 40.7 | Very low | 103 Ų | 103 | 102.3 Ų | 102.3 | 63% | 0.632 | 59% | 0.593 | S | S | * | * | 109.3 | 101.2 | 97.1 | 46.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1963 | S | 46.4 | Very low | 40.5 | Very low | 90 Ų | 90 | 98.3 Ų | 98.3 | 63% | 0.629 | 58% | 0.578 | S | S | * | * | 76 | 90.7 | 111 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1964 | D | 40.4 | Very low | 40.2 | Very low | 128 Ų | 128 | 96.3 Ų | 96.3 | 68% | 0.684 | 57% | 0.568 | S | S | * | * | 135.3 | 97.8 | 110.3 | -96.9 | -7.3 | 0 | 0 | 0 | 109.9 | |||||
| 1965 | F | 45.3 | Very low | 40.1 | Very low | 183 Ų | 183 | 96.1 Ų | 96.1 | 80% | 0.803 | 56% | 0.56 | S | S | * | * | 94.5 | 96.9 | 109.1 | -99.5 | -85.5 | 0 | 0 | 0 | 109.8 | |||||
| 1966 | G | 44.8 | Very low | 40.6 | Very low | 27 Ų | 27 | 95.3 Ų | 95.3 | 28% | 0.278 | 56% | 0.555 | S | S | . | * | 134.7 | 101.7 | 115 | 0 | 0 | 0 | 0 | 0 | 110.6 | R1223 | R1223-G1966 WeakPolarHBondContact CB-O 3.44Å; R1223-G1966 WeakPolarHBondContact CD-O 3.34Å; R1223-G1966 WeakPolarHBondContact CG-O 3.06Å; R1223-G1966 PolarHBondContact NE-O 3.2Å | |||
| 1967 | S | 50 | Low | 40.9 | Very low | 75 Ų | 75 | 94.9 Ų | 94.9 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | 82.4 | 0 | 95.2 | 158.5 | 0 | 0 | 0 | 0 | 111 | R1223 | R1223-S1967 WeakPolarHBondContact CG-O 3.43Š| |||
| 1968 | S | 47.5 | Very low | 41.6 | Very low | 68 Ų | 68 | 87.6 Ų | 87.6 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | 0 | 0 | 0 | 43.6 | 0 | 0 | 0 | 0 | 110.6 | V1226 | V1226-S1968 WeakPolarHBondContact CB-O 3.39Å; V1226-S1968 WeakPolarHBondContact CG1-O 3.48Å; V1226-S1968 CovalentContact CG2-O 1.51Å; V1226-S1968 WeakPolarHBondContact CG2-O 3.45Å | |||
| 1969 | G | 49.1 | Very low | 42.2 | Very low | 34 Ų | 34 | 82.6 Ų | 82.6 | 35% | 0.351 | 49% | 0.492 | S | S | . | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1226 V1971 | V1226-G1969 WeakPolarHBondContact CG2-O 3.4Å; G1969-V1971 PolarHBondContact O-N 3.26Å | |||
| 1970 | S | 41.4 | Very low | 42.8 | Very low | 73 Ų | 73 | 76.8 Ų | 76.8 | 51% | 0.51 | 46% | 0.461 | S | S | . | . | 0 | 98.1 | 0 | 86.5 | 0 | 0 | 0 | 0 | 111.3 | K1225 | K1225-S1970 VanDerWaalsContact CG-C 3.48Š| |||
| 1971 | V | 41.7 | Very low | 43.4 | Very low | 59 Ų | 59 | 71.9 Ų | 71.9 | 36% | 0.358 | 43% | 0.427 | S | S | . | . | 92.9 | 0 | 102.4 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | K1225 D1229 G1969 | K1225-V1971 HydrophobicContact CD-CB 4.1Å; K1225-V1971 HydrophobicContact CD-CG2 4.23Å; K1225-V1971 CovalentContact CE-CA 1.66Å; K1225-V1971 CovalentContact CE-N 1.76Å; D1229-V1971 WeakPolarHBondContact CB-O 3.41Å; D1229-V1971 WeakPolarHBondContact OD2-CA 3.23Å; D1229-V1971 PolarHBondContact OD2-N 2.87Å; D1229-V1971 CovalentContact OD2-O 1.57Å; G1969-V1971 PolarHBondContact O-N 3.26Å | |||
| 1972 | V | 40.4 | Very low | 43.5 | Very low | 65 Ų | 65 | 67.2 Ų | 67.2 | 39% | 0.394 | 41% | 0.405 | S | S | . | . | 0 | 0 | 0 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | K1225 D1229 T1232 | K1225-V1972 VanDerWaalsContact CE-N 3.27Å; D1229-V1972 VanDerWaalsContact CG-O 3.25Å; D1229-V1972 WeakPolarHBondContact OD1-CA 3.36Å; D1229-V1972 PolarHBondContact OD1-N 3.48Å; T1232-V1972 PolarHBondContact OG1-O 3.42Å | |||
| 1973 | T | 36 | Very low | 43.9 | Very low | 54 Ų | 54 | 65.7 Ų | 65.7 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | 0 | 0 | 0 | 45.2 | 0 | 0 | 0 | 0 | 110 | T1232 | T1232-T1973 WeakPolarHBondContact CB-O 2.03Å; T1232-T1973 WeakPolarHBondContact CG2-O 3.39Å; T1232-T1973 WeakPolarHBondContact CG2-OG1 3.41Å; T1232-T1973 PolarHBondContact OG1-O 3.3Å | |||
| 1974 | N | 33.3 | Very low | 44.3 | Very low | 80 Ų | 80 | 67.1 Ų | 67.1 | 43% | 0.428 | 41% | 0.407 | S | S | . | . | 0 | 0 | 0 | -90.5 | -10.3 | 0 | 0 | 0 | 110.7 | T1232 L1235 | T1232-N1974 HydrophobicContact CG2-CB 2.47Å; T1232-N1974 WeakPolarHBondContact CG2-ND2 3.32Å; L1235-N1974 WeakPolarHBondContact CD1-O 2.39Å | |||
| 1975 | N | 36.7 | Very low | 44.6 | Very low | 88 Ų | 88 | 65.5 Ų | 65.5 | 47% | 0.471 | 41% | 0.411 | S | S | . | . | 0 | 0 | 0 | -101.8 | -1.2 | 0 | 0 | 0 | 110.9 | L1235 I1239 N1978 | L1235-N1975 WeakPolarHBondContact CD1-O 2.3Å; L1235-N1975 WeakPolarHBondContact CD2-O 2.06Å; I1239-N1975 HydrophobicContact CD1-CB 3.24Å; I1239-N1975 WeakPolarHBondContact CD1-ND2 3.22Å; I1239-N1975 HydrophobicContact CG1-CB 3.71Å; I1239-N1975 VanDerWaalsContact CG1-ND2 3.33Å; I1239-N1975 WeakPolarHBondContact CG1-ND2 3.13Å; N1975-N1978 PolarHBondContact ND2-O 2.05Å | |||
| 1976 | T | 48.4 | Very low | 45 | Very low | 105 Ų | 105 | 64.5 Ų | 64.5 | 64% | 0.644 | 41% | 0.414 | S | S | * | . | S | Bend | 0 | 0 | 0 | 33.9 | 0 | 0 | 0 | 0 | 109.9 | L1235 | L1235-T1976 HydrophobicContact CB-CG2 3.87Å; L1235-T1976 HydrophobicContact CD1-CG2 3.08Å; L1235-T1976 CovalentContact CD2-CG2 1.56Å; L1235-T1976 HydrophobicContact CD2-CG2 1.56Å; L1235-T1976 HydrophobicContact CG-CG2 2.77Å | |
| 1977 | N | 44 | Very low | 45.2 | Very low | 131 Ų | 131 | 72.5 Ų | 72.5 | 70% | 0.701 | 44% | 0.444 | S | S | * | . | S | Bend | 0 | 69.3 | 0 | -97.1 | -6.3 | 0 | 0 | 0 | 110.5 | L1242 | L1242-N1977 VanDerWaalsContact CD1-C 3.45Å; L1242-N1977 HydrophobicContact CD1-CB 4.13Å; L1242-N1977 WeakPolarHBondContact CD1-OD1 3.22Å; L1242-N1977 HydrophobicContact CD2-CB 3.29Å; L1242-N1977 WeakPolarHBondContact CD2-OD1 2.05Å; L1242-N1977 HydrophobicContact CG-CB 4.3Å; L1242-N1977 WeakPolarHBondContact CG-OD1 2.79Å | |
| 1978 | N | 44.7 | Very low | 45.1 | Very low | 7 Ų | 7 | 80.3 Ų | 80.3 | 4% | 0.037 | 48% | 0.481 | C | S | . | . | S | Bend | 140.9 | 89 | 90.2 | -94.2 | -9.7 | 0 | 0 | 0 | 111.1 | I1239 L1242 K1246 N1975 | I1239-N1978 WeakPolarHBondContact CA-O 1.68Å; I1239-N1978 VanDerWaalsContact CG1-C 3.46Å; I1239-N1978 VanDerWaalsContact CG1-O 3.26Å; I1239-N1978 WeakPolarHBondContact CG1-O 3.48Å; I1239-N1978 WeakPolarHBondContact CG2-O 3.44Å; L1242-N1978 VanDerWaalsContact CA-CB 3.44Å; L1242-N1978 HydrophobicContact CB-CB 2.31Å; L1242-N1978 WeakPolarHBondContact CB-O 1.63Å; L1242-N1978 WeakPolarHBondContact CB-OD1 2.05Å; L1242-N1978 HydrophobicContact CD1-CB 3.07Å; L1242-N1978 WeakPolarHBondContact CD1-OD1 3.24Å; L1242-N1978 HydrophobicContact CD2-CB 2.61Å; L1242-N1978 WeakPolarHBondContact CD2-ND2 3.42Å; L1242-N1978 CovalentContact CD2-OD1 0.89Å; L1242-N1978 WeakPolarHBondContact CD2-OD1 3.48Å; L1242-N1978 HydrophobicContact CG-CB 2.69Å; L1242-N1978 WeakPolarHBondContact CG-ND2 2.15Å; L1242-N1978 WeakPolarHBondContact CG-OD1 2.42Å; K1246-N1978 HydrophobicContact CB-CB 4.49Å; N1975-N1978 PolarHBondContact ND2-O 2.05Å | |
| 1979 | N | 46.8 | Very low | 45 | Very low | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 48% | 0.481 | C | S | . | . | 116 | 108.1 | 128.1 | -96.2 | -6 | 0 | 0 | 0 | 110.3 | L1235 Q1238 I1239 Q1240 S1241 L1242 K1243 | L1235-N1979 CarbonylContact C-O 3.11Å; L1235-N1979 CarbonylContact O-C 3.45Å; L1235-N1979 WeakPolarHBondContact O-CA 3.49Å; Q1238-N1979 CovalentContact C-CA 1.81Å; Q1238-N1979 VanDerWaalsContact CA-C 3.45Å; Q1238-N1979 VanDerWaalsContact CA-OD1 3.23Å; Q1238-N1979 WeakPolarHBondContact CA-OD1 3.29Å; Q1238-N1979 CarbonylContact O-C 3.56Å; Q1238-N1979 WeakPolarHBondContact O-CA 2.44Å; Q1238-N1979 WeakPolarHBondContact O-CB 1.38Å; Q1238-N1979 PolarHBondContact O-N 3.42Å; Q1238-N1979 VanDerWaalsContact O-N 3.14Å; Q1238-N1979 PolarHBondContact O-ND2 2.54Å; Q1238-N1979 CovalentContact O-OD1 1.05Å; Q1238-N1979 PolarHBondContact O-OD1 3.43Å; I1239-N1979 CovalentContact C-CB 1.88Å; I1239-N1979 VanDerWaalsContact C-ND2 3.33Å; I1239-N1979 CarbonylContact C-O 3.03Å; I1239-N1979 CovalentContact CA-C 1.3Å; I1239-N1979 WeakPolarHBondContact CA-O 1.86Å; I1239-N1979 HydrophobicContact CB-CB 3.05Å; I1239-N1979 VanDerWaalsContact CB-N 3.28Å; I1239-N1979 CovalentContact CB-O 0.76Å; I1239-N1979 WeakPolarHBondContact CB-O 3.42Å; I1239-N1979 WeakPolarHBondContact CD1-O 3.21Å; I1239-N1979 HydrophobicContact CG1-CB 3.75Å; I1239-N1979 CovalentContact CG1-O 0.95Å; I1239-N1979 WeakPolarHBondContact CG1-O 3.36Å; I1239-N1979 HydrophobicContact CG2-CB 3.65Å; I1239-N1979 WeakPolarHBondContact CG2-O 3.11Å; I1239-N1979 CovalentContact N-C 1.18Å; I1239-N1979 PolarHBondContact N-O 3.39Å; I1239-N1979 PolarHBondContact N-OD1 3.3Å; I1239-N1979 WeakPolarHBondContact O-CA 3.35Å; I1239-N1979 WeakPolarHBondContact O-CB 3.27Å; I1239-N1979 PolarHBondContact O-ND2 3.14Å; Q1240-N1979 PolarHBondContact O-ND2 3.3Å; S1241-N1979 VanDerWaalsContact CA-CG 3.43Å; S1241-N1979 WeakPolarHBondContact CA-ND2 3.43Å; S1241-N1979 PolarHBondContact N-ND2 2.76Å; S1241-N1979 PolarHBondContact O-ND2 2.9Å; S1241-N1979 PolarHBondContact OG-OD1 3.42Å; L1242-N1979 WeakPolarHBondContact CA-ND2 1.67Å; L1242-N1979 WeakPolarHBondContact CA-OD1 3.07Å; L1242-N1979 HydrophobicContact CB-CB 2.61Å; L1242-N1979 WeakPolarHBondContact CB-ND2 1.99Å; L1242-N1979 WeakPolarHBondContact CB-OD1 3.45Å; L1242-N1979 HydrophobicContact CD1-CB 4Å; L1242-N1979 WeakPolarHBondContact CD1-OD1 3.39Å; L1242-N1979 HydrophobicContact CG-CB 3.73Å; L1242-N1979 WeakPolarHBondContact CG-OD1 3.49Å; L1242-N1979 CovalentContact N-ND2 0.87Å; L1242-N1979 PolarHBondContact N-ND2 2.75Å; L1242-N1979 PolarHBondContact N-OD1 3.24Å; L1242-N1979 PolarHBondContact O-ND2 2.92Å; L1242-N1979 VanDerWaalsContact O-ND2 3.12Å; K1243-N1979 VanDerWaalsContact CA-ND2 3.25Å; K1243-N1979 WeakPolarHBondContact CA-ND2 3.46Å; K1243-N1979 HydrophobicContact CB-CB 4.44Å; K1243-N1979 CovalentContact N-ND2 1.82Å; K1243-N1979 PolarHBondContact N-ND2 0.99Å | |||
| 1980 | A | 47.8 | Very low | 44.7 | Very low | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 49% | 0.488 | C | S | . | . | 77 | 100.4 | 112.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1235 Q1236 K1237 Q1238 I1239 Q1240 | L1235-A1980 CarbonylContact C-O 3.55Å; L1235-A1980 CarbonylContact O-C 3.27Å; L1235-A1980 WeakPolarHBondContact O-CA 3.42Å; L1235-A1980 VanDerWaalsContact O-CB 3.3Å; L1235-A1980 WeakPolarHBondContact O-CB 2.85Å; L1235-A1980 CovalentContact O-N 1.23Å; L1235-A1980 PolarHBondContact O-N 2.95Å; Q1236-A1980 CovalentContact C-C 1.03Å; Q1236-A1980 CarbonylContact C-O 3.48Å; Q1236-A1980 CovalentContact CA-O 1.4Å; Q1236-A1980 WeakPolarHBondContact CA-O 3.49Å; Q1236-A1980 WeakPolarHBondContact CB-O 3.28Å; Q1236-A1980 VanDerWaalsContact CG-O 3.24Å; Q1236-A1980 WeakPolarHBondContact CG-O 3.45Å; Q1236-A1980 PolarHBondContact N-O 2.25Å; Q1236-A1980 CarbonylContact O-C 3.39Å; Q1236-A1980 WeakPolarHBondContact O-CA 3.27Å; Q1236-A1980 WeakPolarHBondContact O-CB 3.3Å; K1237-A1980 VanDerWaalsContact N-CB 3.3Å; K1237-A1980 PolarHBondContact N-O 1.9Å; K1237-A1980 WeakPolarHBondContact O-CA 3.45Å; K1237-A1980 WeakPolarHBondContact O-CB 1.69Å; Q1238-A1980 HydrophobicContact CB-CB 4.01Å; Q1238-A1980 CovalentContact N-CA 1.85Å; Q1238-A1980 WeakPolarHBondContact O-CB 1.71Å; Q1238-A1980 PolarHBondContact O-N 3.19Å; I1239-A1980 VanDerWaalsContact C-CA 3.4Å; I1239-A1980 VanDerWaalsContact CA-O 3.22Å; I1239-A1980 WeakPolarHBondContact CA-O 3.14Å; I1239-A1980 HydrophobicContact CB-CB 3.29Å; I1239-A1980 WeakPolarHBondContact CB-O 2.83Å; I1239-A1980 WeakPolarHBondContact CD1-O 3Å; I1239-A1980 HydrophobicContact CG1-CB 4.32Å; I1239-A1980 WeakPolarHBondContact CG1-O 3.32Å; I1239-A1980 HydrophobicContact CG2-CB 4.42Å; I1239-A1980 WeakPolarHBondContact CG2-O 3.33Å; I1239-A1980 CovalentContact N-N 1.33Å; I1239-A1980 PolarHBondContact N-O 3.42Å; I1239-A1980 VanDerWaalsContact N-O 3.09Å; I1239-A1980 WeakPolarHBondContact O-CB 1.89Å; Q1240-A1980 HydrophobicContact CB-CB 3.52Å; Q1240-A1980 CovalentContact N-CB 1.77Å | |||
| 1981 | S | 49.7 | Very low | 44.9 | Very low | 3 Ų | 3 | 84 Ų | 84 | 2% | 0.021 | 49% | 0.486 | C | S | . | . | 127.5 | 0 | 118.5 | 34.3 | 0 | 0 | 0 | 0 | 110.1 | T1232 D1233 A1234 L1235 Q1236 K1237 | T1232-S1981 CarbonylContact O-C 3.47Å; D1233-S1981 VanDerWaalsContact C-CA 3.44Å; D1233-S1981 CarbonylContact C-O 3.09Å; D1233-S1981 WeakPolarHBondContact CA-O 3.21Å; D1233-S1981 CarbonylContact O-C 3.55Å; D1233-S1981 WeakPolarHBondContact O-CA 3.25Å; D1233-S1981 PolarHBondContact O-N 3.42Å; A1234-S1981 PolarHBondContact O-N 2.82Å; L1235-S1981 PolarHBondContact O-N 3.34Å; Q1236-S1981 CovalentContact C-N 1.15Å; Q1236-S1981 CarbonylContact C-O 3.3Å; Q1236-S1981 CovalentContact CA-N 1.34Å; Q1236-S1981 WeakPolarHBondContact CA-O 2.08Å; Q1236-S1981 WeakPolarHBondContact CA-OG 3.45Å; Q1236-S1981 CovalentContact CB-O 0.75Å; Q1236-S1981 WeakPolarHBondContact CB-O 3.49Å; Q1236-S1981 WeakPolarHBondContact CB-OG 3.33Å; Q1236-S1981 WeakPolarHBondContact CG-O 3.44Å; Q1236-S1981 WeakPolarHBondContact CG-OG 3.34Å; Q1236-S1981 PolarHBondContact N-O 2.98Å; Q1236-S1981 PolarHBondContact NE2-O 3.42Å; Q1236-S1981 WeakPolarHBondContact O-CA 2.65Å; Q1236-S1981 WeakPolarHBondContact O-CB 1.78Å; Q1236-S1981 PolarHBondContact O-N 2.94Å; Q1236-S1981 CovalentContact O-OG 1.05Å; Q1236-S1981 PolarHBondContact O-OG 2.94Å; Q1236-S1981 VanDerWaalsContact OE1-C 3.27Å; Q1236-S1981 PolarHBondContact OE1-O 2.83Å; K1237-S1981 WeakPolarHBondContact CA-OG 3.32Å; K1237-S1981 VanDerWaalsContact CG-CA 3.42Å; K1237-S1981 CovalentContact N-CA 1.49Å; K1237-S1981 CovalentContact N-N 1.35Å; K1237-S1981 PolarHBondContact N-OG 2.8Å | |||
| 1982 | T | 40 | Very low | 45.1 | Very low | 39 Ų | 39 | 85.5 Ų | 85.5 | 24% | 0.239 | 49% | 0.494 | C | S | . | . | 0 | 146 | 0 | 17.6 | 0 | 0 | 0 | 0 | 108.5 | T1232 D1233 Q1236 K1237 | T1232-T1982 PolarHBondContact O-N 2.81Å; D1233-T1982 VanDerWaalsContact CA-O 3.25Å; D1233-T1982 WeakPolarHBondContact CA-O 3.43Å; D1233-T1982 HydrophobicContact CB-CG2 4.24Å; D1233-T1982 WeakPolarHBondContact CB-O 3.24Å; D1233-T1982 WeakPolarHBondContact O-CA 3.04Å; D1233-T1982 CovalentContact O-N 1.78Å; D1233-T1982 PolarHBondContact O-N 3.07Å; D1233-T1982 CovalentContact OD1-C 0.55Å; D1233-T1982 WeakPolarHBondContact OD1-CA 3.33Å; D1233-T1982 WeakPolarHBondContact OD1-CB 3.37Å; D1233-T1982 PolarHBondContact OD1-N 3.1Å; D1233-T1982 WeakPolarHBondContact OD2-CA 3.29Å; Q1236-T1982 PolarHBondContact OE1-O 3.29Å; K1237-T1982 HydrophobicContact CD-CG2 4.16Å; K1237-T1982 VanDerWaalsContact CE-CG2 3.41Å; K1237-T1982 HydrophobicContact CG-CG2 4.09Å | |||
| 1983 | P | 47.4 | Very low | 45.4 | Very low | 70 Ų | 70 | 86.8 Ų | 86.8 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | cis | 94.3 | 0 | 37.8 | 32.2 | -3.5 | 0 | 0 | 0 | 112.2 | D1233 | D1233-P1983 HydrophobicContact CB-CB 3.61Å; D1233-P1983 VanDerWaalsContact CB-CD 3.45Å; D1233-P1983 HydrophobicContact CB-CG 3.58Å; D1233-P1983 CovalentContact CG-N 1.22Å; D1233-P1983 WeakPolarHBondContact OD1-CA 3.41Å; D1233-P1983 WeakPolarHBondContact OD1-CB 3.16Å; D1233-P1983 WeakPolarHBondContact OD1-CD 3.16Å; D1233-P1983 WeakPolarHBondContact OD1-CG 3.17Å; D1233-P1983 CovalentContact OD1-N 1.1Å; D1233-P1983 WeakPolarHBondContact OD2-CA 3.32Å; D1233-P1983 CovalentContact OD2-CB 1.34Å; D1233-P1983 WeakPolarHBondContact OD2-CB 3.17Å; D1233-P1983 WeakPolarHBondContact OD2-CD 3.25Å; D1233-P1983 WeakPolarHBondContact OD2-CG 3.35Å | ||
| 1984 | S | 54 | Low | 46 | Very low | 120 Ų | 120 | 88.9 Ų | 88.9 | 84% | 0.839 | 51% | 0.511 | S | S | * | . | 0 | 0 | 0 | 76.6 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1985 | A | 48.3 | Very low | 46.9 | Very low | 94 Ų | 94 | 89.6 Ų | 89.6 | 78% | 0.777 | 52% | 0.517 | S | S | * | . | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1986 | N | 51.9 | Low | 47.7 | Very low | 162 Ų | 162 | 89.7 Ų | 89.7 | 87% | 0.866 | 52% | 0.521 | S | S | * | . | 0 | 0 | 0 | -106.3 | -1 | 0 | 0 | 0 | 111.1 | |||||
| 1987 | E | 49 | Very low | 47.7 | Very low | 195 Ų | 195 | 88.4 Ų | 88.4 | 91% | 0.911 | 51% | 0.511 | S | S | * | . | 0 | 0 | 0 | -90.7 | -176.6 | 176.6 | 0 | 0 | 110.2 | |||||
| 1988 | N | 48.5 | Very low | 48 | Very low | 240 Ų | 240 | 84.5 Ų | 84.5 | 100% | 1.283 | 49% | 0.494 | S | S | * | . | 0 | 0 | 0 | -85.4 | -12.9 | 0 | 0 | 0 | 109.7 |
Retrieved 1,988 of 1,988 residues in 1144.4 ms
(Link to these results)