| 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 | 33.5 | Very low | 46.4 | Very low | 213 Ų | 213 | 117.5 Ų | 117.5 | 100% | 1.049 | 67% | 0.668 | S | S | * | * | 0 | 100.7 | 0 | -61.4 | -56.8 | -173.7 | 0 | 0 | 106.8 | T3 | M1-T3 HydrophobicContact SD-CG2 3.75Š| |||
| 2 | P | 40.2 | Very low | 47.2 | Very low | 123 Ų | 123 | 117.1 Ų | 117.1 | 80% | 0.799 | 66% | 0.658 | S | S | * | * | -110.2 | 134.4 | 86.9 | 32.8 | -32.2 | 0 | 0 | 0 | 111.4 | S4 | P2-S4 PolarHBondContact O-N 3.32Š| |||
| 3 | T | 38.8 | Very low | 48 | Very low | 117 Ų | 117 | 115.7 Ų | 115.7 | 72% | 0.718 | 64% | 0.641 | S | S | * | * | trans | -76 | 85.6 | 170.4 | 47 | 0 | 0 | 0 | 0 | 108.5 | M1 A5 | M1-T3 HydrophobicContact SD-CG2 3.75Å; T3-A5 PolarHBondContact O-N 3.34Å | ||
| 4 | S | 42.2 | Very low | 48.8 | Very low | 100 Ų | 100 | 115.4 Ų | 115.4 | 70% | 0.699 | 63% | 0.63 | S | S | * | * | trans | -84.8 | 93.5 | 160.3 | 52.6 | 0 | 0 | 0 | 0 | 106.7 | P2 D6 | P2-S4 PolarHBondContact O-N 3.32Å; S4-D6 PolarHBondContact O-N 3.22Å | ||
| 5 | A | 45.4 | Very low | 49.8 | Very low | 93 Ų | 93 | 114.1 Ų | 114.1 | 77% | 0.769 | 63% | 0.627 | S | S | * | * | trans | -68.3 | 27.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T3 | T3-A5 PolarHBondContact O-N 3.34Š| ||
| 6 | D | 45.2 | Very low | 50.5 | Low | 129 Ų | 129 | 113.3 Ų | 113.3 | 69% | 0.69 | 62% | 0.62 | S | S | * | * | trans | -113.9 | 55 | 175.6 | -59.9 | -30 | 0 | 0 | 0 | 107.8 | S4 T8 | S4-D6 PolarHBondContact O-N 3.22Å; D6-T8 PolarHBondContact O-N 3.36Å | ||
| 7 | M | 45.1 | Very low | 51.1 | Low | 113 Ų | 113 | 110.2 Ų | 110.2 | 56% | 0.557 | 60% | 0.603 | S | S | * | * | trans | -63.3 | 90.8 | 145 | -82.8 | -74.3 | 87.2 | 0 | 0 | 104.2 | D9 E11 | M7-D9 PolarHBondContact O-N 3.07Å; M7-E11 WeakPolarHBondContact CE-OE2 3.45Å; M7-E11 HydrophobicContact SD-CB 4.31Å | ||
| 8 | T | 53.6 | Low | 51.5 | Low | 70 Ų | 70 | 111.1 Ų | 111.1 | 43% | 0.429 | 61% | 0.606 | S | S | . | * | trans | -48.5 | 140.2 | -174.1 | 53.5 | 0 | 0 | 0 | 0 | 107.2 | D6 E10 E11 M12 | D6-T8 PolarHBondContact O-N 3.36Å; T8-E10 CarbonylContact O-C 3.42Å; T8-E10 PolarHBondContact O-N 3.4Å; T8-E11 PolarHBondContact O-N 2.97Å; T8-M12 PolarHBondContact O-N 3.31Å | ||
| 9 | D | 53.2 | Low | 51.9 | Low | 110 Ų | 110 | 111.4 Ų | 111.4 | 59% | 0.588 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -47.1 | -22 | 178 | -164.9 | 49.8 | 0 | 0 | 0 | 112.1 | M7 K13 | M7-D9 PolarHBondContact O-N 3.07Å; D9-K13 WeakPolarHBondContact O-CB 3.35Å; D9-K13 WeakPolarHBondContact O-CD 3.45Å; D9-K13 WeakPolarHBondContact O-CG 3.38Å; D9-K13 PolarHBondContact O-N 3.24Å; D9-K13 VanDerWaalsContact O-N 3.12Å; D9-K13 WeakPolarHBondContact OD2-CE 3.36Å; D9-K13 IonicContact OD2-NZ 2.78Å; D9-K13 PolarHBondContact OD2-NZ 3.46Å |
| 10 | E | 56.7 | Low | 52.4 | Low | 130 Ų | 130 | 108.1 Ų | 108.1 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.9 | -45 | 169.5 | -65.7 | -163.3 | 176.9 | 0 | 0 | 116.2 | T8 M12 K13 K14 | T8-E10 CarbonylContact O-C 3.42Å; T8-E10 PolarHBondContact O-N 3.4Å; E10-M12 VanDerWaalsContact C-N 3.32Å; E10-K13 WeakPolarHBondContact O-CB 3.36Å; E10-K13 PolarHBondContact O-N 3.09Å; E10-K14 WeakPolarHBondContact O-CG 3.43Å; E10-K14 PolarHBondContact O-N 3.31Å |
| 11 | E | 56.9 | Low | 52.7 | Low | 95 Ų | 95 | 104.5 Ų | 104.5 | 44% | 0.444 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.6 | -37.7 | 179.1 | -73.2 | -161.4 | -170.8 | 0 | 0 | 111.1 | M7 T8 K13 K14 V15 | M7-E11 WeakPolarHBondContact CE-OE2 3.45Å; M7-E11 HydrophobicContact SD-CB 4.31Å; T8-E11 PolarHBondContact O-N 2.97Å; E11-K13 VanDerWaalsContact C-N 3.32Å; E11-K13 PolarHBondContact O-N 3.44Å; E11-K14 PolarHBondContact O-N 2.61Å; E11-V15 WeakPolarHBondContact O-CG2 3.48Å; E11-V15 PolarHBondContact O-N 3.21Å |
| 12 | M | 55.6 | Low | 53.8 | Low | 112 Ų | 112 | 97.8 Ų | 97.8 | 55% | 0.552 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.4 | -38 | 173.1 | -156.7 | 177.7 | -53.8 | 0 | 0 | 111.5 | T8 E10 V15 L16 | T8-M12 PolarHBondContact O-N 3.31Å; E10-M12 VanDerWaalsContact C-N 3.32Å; M12-V15 PolarHBondContact O-N 2.81Å; M12-L16 PolarHBondContact O-N 3.36Å |
| 13 | K | 57.1 | Low | 54.8 | Low | 99 Ų | 99 | 92.8 Ų | 92.8 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 171 | -80 | 168.2 | -170.5 | 158 | 0 | 112.4 | D9 E10 E11 V15 L16 L17 | D9-K13 WeakPolarHBondContact O-CB 3.35Å; D9-K13 WeakPolarHBondContact O-CD 3.45Å; D9-K13 WeakPolarHBondContact O-CG 3.38Å; D9-K13 PolarHBondContact O-N 3.24Å; D9-K13 VanDerWaalsContact O-N 3.12Å; D9-K13 WeakPolarHBondContact OD2-CE 3.36Å; D9-K13 IonicContact OD2-NZ 2.78Å; D9-K13 PolarHBondContact OD2-NZ 3.46Å; E10-K13 WeakPolarHBondContact O-CB 3.36Å; E10-K13 PolarHBondContact O-N 3.09Å; E11-K13 VanDerWaalsContact C-N 3.32Å; E11-K13 PolarHBondContact O-N 3.44Å; K13-V15 VanDerWaalsContact C-N 3.35Å; K13-V15 PolarHBondContact O-N 2.88Å; K13-L16 PolarHBondContact O-N 3.33Å; K13-L17 VanDerWaalsContact O-CB 3.31Å; K13-L17 WeakPolarHBondContact O-CB 3.45Å; K13-L17 PolarHBondContact O-N 2.9Å |
| 14 | K | 60.2 | Low | 55.8 | Low | 111 Ų | 111 | 91.3 Ų | 91.3 | 48% | 0.483 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 177.2 | -72.8 | 177.8 | -176.5 | -178 | 0 | 111.9 | E10 E11 L17 L18 | E10-K14 WeakPolarHBondContact O-CG 3.43Å; E10-K14 PolarHBondContact O-N 3.31Å; E11-K14 PolarHBondContact O-N 2.61Å; K14-L17 WeakPolarHBondContact O-CB 3.32Å; K14-L17 PolarHBondContact O-N 3.22Å; K14-L18 WeakPolarHBondContact O-CB 3.47Å; K14-L18 PolarHBondContact O-N 3.01Å |
| 15 | V | 62.8 | Low | 56.6 | Low | 97 Ų | 97 | 94.8 Ų | 94.8 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.3 | -42.9 | 175 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | E11 M12 K13 L17 L18 L19 | E11-V15 WeakPolarHBondContact O-CG2 3.48Å; E11-V15 PolarHBondContact O-N 3.21Å; M12-V15 PolarHBondContact O-N 2.81Å; K13-V15 VanDerWaalsContact C-N 3.35Å; K13-V15 PolarHBondContact O-N 2.88Å; V15-L17 VanDerWaalsContact C-N 3.28Å; V15-L17 PolarHBondContact O-N 2.85Å; V15-L18 PolarHBondContact O-N 3.2Å; V15-L19 WeakPolarHBondContact O-CB 3.44Å; V15-L19 PolarHBondContact O-N 3.46Å |
| 16 | L | 61.8 | Low | 57.4 | Low | 100 Ų | 100 | 92.2 Ų | 92.2 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | 173.2 | -113.5 | 90 | 0 | 0 | 0 | 111.9 | M12 K13 L19 L20 | M12-L16 PolarHBondContact O-N 3.36Å; K13-L16 PolarHBondContact O-N 3.33Å; L16-L19 PolarHBondContact O-N 3.27Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.5Å; L16-L20 PolarHBondContact O-N 2.87Å |
| 17 | L | 59.7 | Low | 58.3 | Low | 62 Ų | 62 | 94.4 Ų | 94.4 | 33% | 0.325 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 179.4 | -156.4 | 79.8 | 0 | 0 | 0 | 111.5 | K13 K14 V15 L20 G21 I54 I60 | K13-L17 VanDerWaalsContact O-CB 3.31Å; K13-L17 WeakPolarHBondContact O-CB 3.45Å; K13-L17 PolarHBondContact O-N 2.9Å; K14-L17 WeakPolarHBondContact O-CB 3.32Å; K14-L17 PolarHBondContact O-N 3.22Å; V15-L17 VanDerWaalsContact C-N 3.28Å; V15-L17 PolarHBondContact O-N 2.85Å; L17-L20 PolarHBondContact O-N 3.41Å; L17-G21 PolarHBondContact O-N 3Å; L17-I54 HydrophobicContact CD1-CD1 3.54Å; L17-I54 HydrophobicContact CD1-CG1 4.02Å; L17-I54 HydrophobicContact CD1-CG2 3.94Å; L17-I60 HydrophobicContact CD1-CD1 4.35Å; L17-I60 HydrophobicContact CD1-CG2 4.42Å; L17-I60 HydrophobicContact CD2-CG2 4.01Å |
| 18 | L | 59.2 | Low | 59.2 | Low | 126 Ų | 126 | 96.9 Ų | 96.9 | 66% | 0.66 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | 174.8 | -174 | 66 | 0 | 0 | 0 | 110.7 | K14 V15 L20 G21 C22 | K14-L18 WeakPolarHBondContact O-CB 3.47Å; K14-L18 PolarHBondContact O-N 3.01Å; V15-L18 PolarHBondContact O-N 3.2Å; L18-L20 PolarHBondContact O-N 3.25Å; L18-G21 PolarHBondContact O-N 3.3Å; L18-C22 PolarHBondContact O-N 3.07Å; L18-C22 PolarHBondContact O-SG 3.37Å |
| 19 | L | 59.5 | Low | 59.7 | Low | 116 Ų | 116 | 100.4 Ų | 100.4 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 177 | -160.1 | 74.3 | 0 | 0 | 0 | 111.1 | V15 L16 C22 V23 | V15-L19 WeakPolarHBondContact O-CB 3.44Å; V15-L19 PolarHBondContact O-N 3.46Å; L16-L19 PolarHBondContact O-N 3.27Å; L19-C22 PolarHBondContact O-N 3.47Å; L19-V23 WeakPolarHBondContact O-CB 3.44Å; L19-V23 WeakPolarHBondContact O-CG2 3.44Å; L19-V23 PolarHBondContact O-N 2.9Å |
| 20 | L | 60.6 | Low | 60.4 | Low | 45 Ų | 45 | 102.5 Ų | 102.5 | 24% | 0.236 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 176.3 | -170.2 | 70 | 0 | 0 | 0 | 111.8 | L16 L17 L18 V23 V24 I51 | L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.5Å; L16-L20 PolarHBondContact O-N 2.87Å; L17-L20 PolarHBondContact O-N 3.41Å; L18-L20 PolarHBondContact O-N 3.25Å; L20-V23 WeakPolarHBondContact O-CB 3.41Å; L20-V23 PolarHBondContact O-N 3.29Å; L20-V24 WeakPolarHBondContact O-CG2 3.36Å; L20-V24 PolarHBondContact O-N 3.44Å; L20-I51 HydrophobicContact CD1-CD1 4.4Å; L20-I51 HydrophobicContact CD1-CG1 4.48Å; L20-I51 HydrophobicContact CD2-CG1 3.93Å |
| 21 | G | 59.7 | Low | 60.9 | Low | 34 Ų | 34 | 101.2 Ų | 101.2 | 35% | 0.351 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L17 L18 V23 V24 Q25 | L17-G21 PolarHBondContact O-N 3Å; L18-G21 PolarHBondContact O-N 3.3Å; G21-V23 VanDerWaalsContact C-N 3.33Å; G21-V23 PolarHBondContact O-N 3.1Å; G21-V24 PolarHBondContact O-N 3.24Å; G21-Q25 PolarHBondContact O-N 2.99Å |
| 22 | C | 55.8 | Low | 61.3 | Low | 72 Ų | 72 | 100 Ų | 100 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 173.1 | -66.9 | 0 | 0 | 0 | 0 | 112 | L18 L19 S26 | L18-C22 PolarHBondContact O-N 3.07Å; L18-C22 PolarHBondContact O-SG 3.37Å; L19-C22 PolarHBondContact O-N 3.47Å; C22-S26 WeakPolarHBondContact O-CB 3.32Å; C22-S26 PolarHBondContact O-N 3.49Å; C22-S26 PolarHBondContact O-OG 3.04Å |
| 23 | V | 61.6 | Low | 62 | Low | 18 Ų | 18 | 97.5 Ų | 97.5 | 11% | 0.109 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 177.3 | 165.3 | 0 | 0 | 0 | 0 | 111.9 | L19 L20 G21 S26 F32 | L19-V23 WeakPolarHBondContact O-CB 3.44Å; L19-V23 WeakPolarHBondContact O-CG2 3.44Å; L19-V23 PolarHBondContact O-N 2.9Å; L20-V23 WeakPolarHBondContact O-CB 3.41Å; L20-V23 PolarHBondContact O-N 3.29Å; G21-V23 VanDerWaalsContact C-N 3.33Å; G21-V23 PolarHBondContact O-N 3.1Å; V23-S26 PolarHBondContact O-OG 3.28Å; V23-F32 HydrophobicContact CB-CB 4.46Å; V23-F32 HydrophobicContact CB-CD2 4.18Å; V23-F32 HydrophobicContact CB-CG 4.22Å; V23-F32 HydrophobicContact CG1-CB 3.42Å; V23-F32 VanDerWaalsContact CG1-CB 3.42Å; V23-F32 HydrophobicContact CG1-CD1 4.45Å; V23-F32 HydrophobicContact CG1-CD2 3.81Å; V23-F32 HydrophobicContact CG1-CG 3.66Å; V23-F32 HydrophobicContact CG2-CB 4.23Å; V23-F32 HydrophobicContact CG2-CD1 3.69Å; V23-F32 HydrophobicContact CG2-CD2 3.83Å; V23-F32 HydrophobicContact CG2-CE1 3.9Å; V23-F32 HydrophobicContact CG2-CE2 4.02Å; V23-F32 HydrophobicContact CG2-CG 3.65Å; V23-F32 HydrophobicContact CG2-CZ 4.05Å |
| 24 | V | 60.4 | Low | 62.7 | Low | 86 Ų | 86 | 97.4 Ų | 97.4 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.1 | -34.1 | -179.5 | 174.7 | 0 | 0 | 0 | 0 | 112.2 | L20 G21 | L20-V24 WeakPolarHBondContact O-CG2 3.36Å; L20-V24 PolarHBondContact O-N 3.44Å; G21-V24 PolarHBondContact O-N 3.24Å |
| 25 | Q | 58.4 | Low | 63.1 | Low | 173 Ų | 173 | 97.6 Ų | 97.6 | 81% | 0.808 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -91.2 | -11.5 | -179.9 | -67.9 | -175.5 | -0.3 | 0 | 0 | 114.5 | G21 | G21-Q25 PolarHBondContact O-N 2.99Å |
| 26 | S | 61.9 | Low | 63.3 | Low | 39 Ų | 39 | 95.4 Ų | 95.4 | 27% | 0.273 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -78.3 | 144.3 | 176.7 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | C22 V23 R28 R29 | C22-S26 WeakPolarHBondContact O-CB 3.32Å; C22-S26 PolarHBondContact O-N 3.49Å; C22-S26 PolarHBondContact O-OG 3.04Å; V23-S26 PolarHBondContact O-OG 3.28Å; S26-R28 PolarHBondContact O-N 3.46Å; S26-R29 PolarHBondContact O-N 3.44Å |
| 27 | D | 64.1 | Low | 63.7 | Low | 175 Ų | 175 | 97.5 Ų | 97.5 | 94% | 0.936 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -11 | 174.7 | -60.2 | -30.3 | 0 | 0 | 0 | 113.4 | ||
| 28 | R | 63.5 | Low | 64.5 | Low | 165 Ų | 165 | 99 Ų | 99 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 19.2 | 179.8 | -60.2 | -170.8 | -179.8 | -157.7 | 3.7 | 114 | S26 E30 E31 F32 | S26-R28 PolarHBondContact O-N 3.46Å; R28-E30 PolarHBondContact O-N 3.04Å; R28-E31 IonicContact NH1-OE2 2.61Å; R28-E31 WeakPolarHBondContact O-CB 3.4Å; R28-E31 PolarHBondContact O-N 2.94Å; R28-F32 HydrophobicContact CB-CE2 4.41Å; R28-F32 WeakPolarHBondContact O-CD2 3.03Å |
| 29 | R | 65.5 | Low | 65.1 | Low | 144 Ų | 144 | 97 Ų | 97 | 54% | 0.543 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -44.8 | -39.2 | 179.2 | 174.7 | 178.8 | 169.8 | -176.1 | -1.7 | 114.1 | S26 E31 F32 I33 | S26-R29 PolarHBondContact O-N 3.44Å; R29-E31 PolarHBondContact O-N 2.91Å; R29-F32 PolarHBondContact O-N 3.48Å; R29-I33 HydrophobicContact CG-CD1 3.78Å; R29-I33 HydrophobicContact CG-CG1 4.45Å; R29-I33 WeakPolarHBondContact O-CG1 3.41Å; R29-I33 PolarHBondContact O-N 3.38Å; R29-I33 VanDerWaalsContact O-N 3.1Å |
| 30 | E | 66.4 | Low | 65.9 | Low | 154 Ų | 154 | 97.2 Ų | 97.2 | 72% | 0.72 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.1 | -35.8 | 179.4 | -70.7 | -168.2 | 164.1 | 0 | 0 | 113.5 | R28 F32 I33 N34 | R28-E30 PolarHBondContact O-N 3.04Å; E30-F32 PolarHBondContact O-N 3.24Å; E30-I33 PolarHBondContact O-N 2.8Å; E30-N34 WeakPolarHBondContact O-CB 3.48Å; E30-N34 VanDerWaalsContact O-CG 3.24Å; E30-N34 PolarHBondContact O-N 3.39Å; E30-N34 PolarHBondContact O-ND2 3.08Å |
| 31 | E | 69.2 | Low | 66.4 | Low | 102 Ų | 102 | 99.6 Ų | 99.6 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 178.3 | -68.1 | -173.2 | 164.4 | 0 | 0 | 111 | R28 R29 N34 Q35 | R28-E31 IonicContact NH1-OE2 2.61Å; R28-E31 WeakPolarHBondContact O-CB 3.4Å; R28-E31 PolarHBondContact O-N 2.94Å; R29-E31 PolarHBondContact O-N 2.91Å; E31-N34 PolarHBondContact O-N 3.33Å; E31-Q35 PolarHBondContact O-N 3.1Å |
| 32 | F | 64.6 | Low | 67.1 | Low | 69 Ų | 69 | 101.2 Ų | 101.2 | 30% | 0.303 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.1 | -39 | 177.7 | -67.2 | -71.1 | 0 | 0 | 0 | 112.5 | V23 R28 R29 E30 N34 Q35 I36 | V23-F32 HydrophobicContact CB-CB 4.46Å; V23-F32 HydrophobicContact CB-CD2 4.18Å; V23-F32 HydrophobicContact CB-CG 4.22Å; V23-F32 HydrophobicContact CG1-CB 3.42Å; V23-F32 VanDerWaalsContact CG1-CB 3.42Å; V23-F32 HydrophobicContact CG1-CD1 4.45Å; V23-F32 HydrophobicContact CG1-CD2 3.81Å; V23-F32 HydrophobicContact CG1-CG 3.66Å; V23-F32 HydrophobicContact CG2-CB 4.23Å; V23-F32 HydrophobicContact CG2-CD1 3.69Å; V23-F32 HydrophobicContact CG2-CD2 3.83Å; V23-F32 HydrophobicContact CG2-CE1 3.9Å; V23-F32 HydrophobicContact CG2-CE2 4.02Å; V23-F32 HydrophobicContact CG2-CG 3.65Å; V23-F32 HydrophobicContact CG2-CZ 4.05Å; R28-F32 HydrophobicContact CB-CE2 4.41Å; R28-F32 WeakPolarHBondContact O-CD2 3.03Å; R29-F32 PolarHBondContact O-N 3.48Å; E30-F32 PolarHBondContact O-N 3.24Å; F32-N34 PolarHBondContact O-N 3.43Å; F32-Q35 PolarHBondContact O-N 3.28Å; F32-I36 WeakPolarHBondContact O-CB 3.43Å; F32-I36 VanDerWaalsContact O-CG1 3.26Å; F32-I36 WeakPolarHBondContact O-CG1 3.48Å; F32-I36 PolarHBondContact O-N 2.99Å |
| 33 | I | 69.8 | Low | 67.7 | Low | 61 Ų | 61 | 100.9 Ų | 100.9 | 31% | 0.313 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 173.6 | -67.7 | 168.7 | 0 | 0 | 0 | 110.1 | R29 E30 I36 K37 | R29-I33 HydrophobicContact CG-CD1 3.78Å; R29-I33 HydrophobicContact CG-CG1 4.45Å; R29-I33 WeakPolarHBondContact O-CG1 3.41Å; R29-I33 PolarHBondContact O-N 3.38Å; R29-I33 VanDerWaalsContact O-N 3.1Å; E30-I33 PolarHBondContact O-N 2.8Å; I33-I36 PolarHBondContact O-N 3.47Å; I33-K37 HydrophobicContact CG2-CD 4.16Å; I33-K37 WeakPolarHBondContact O-CB 3.16Å; I33-K37 VanDerWaalsContact O-CG 3.26Å; I33-K37 WeakPolarHBondContact O-CG 3.46Å; I33-K37 PolarHBondContact O-N 3.48Å |
| 34 | N | 71.4 | Confident | 67.8 | Low | 97 Ų | 97 | 102.7 Ų | 102.7 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 176.3 | -70.2 | -25.8 | 0 | 0 | 0 | 112.4 | E30 E31 F32 K37 S38 | E30-N34 WeakPolarHBondContact O-CB 3.48Å; E30-N34 VanDerWaalsContact O-CG 3.24Å; E30-N34 PolarHBondContact O-N 3.39Å; E30-N34 PolarHBondContact O-ND2 3.08Å; E31-N34 PolarHBondContact O-N 3.33Å; F32-N34 PolarHBondContact O-N 3.43Å; N34-K37 PolarHBondContact O-N 3.19Å; N34-S38 PolarHBondContact O-N 3.4Å |
| 35 | Q | 68.2 | Low | 67.9 | Low | 114 Ų | 114 | 104.9 Ų | 104.9 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 172.3 | -76 | -178.7 | 5.2 | 0 | 0 | 111.8 | E31 F32 K37 S38 L39 | E31-Q35 PolarHBondContact O-N 3.1Å; F32-Q35 PolarHBondContact O-N 3.28Å; Q35-K37 VanDerWaalsContact C-N 3.3Å; Q35-K37 PolarHBondContact O-N 3.27Å; Q35-S38 WeakPolarHBondContact O-CB 3.46Å; Q35-S38 PolarHBondContact O-N 3.1Å; Q35-S38 PolarHBondContact O-OG 3.42Å; Q35-L39 PolarHBondContact O-N 3.1Å |
| 36 | I | 68.6 | Low | 68.3 | Low | 51 Ų | 51 | 100.3 Ų | 100.3 | 26% | 0.262 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 175.3 | -66.3 | 165.5 | 0 | 0 | 0 | 110 | F32 I33 S38 L39 Q44 L47 | F32-I36 WeakPolarHBondContact O-CB 3.43Å; F32-I36 VanDerWaalsContact O-CG1 3.26Å; F32-I36 WeakPolarHBondContact O-CG1 3.48Å; F32-I36 PolarHBondContact O-N 2.99Å; I33-I36 PolarHBondContact O-N 3.47Å; I36-S38 PolarHBondContact O-N 3.45Å; I36-L39 WeakPolarHBondContact O-CB 3.3Å; I36-L39 PolarHBondContact O-N 3.1Å; I36-L39 VanDerWaalsContact O-N 3.15Å; I36-Q44 VanDerWaalsContact O-CG 3.25Å; I36-Q44 WeakPolarHBondContact O-CG 3.43Å; I36-Q44 PolarHBondContact O-NE2 2.83Å; I36-L47 HydrophobicContact CD1-CD2 4.16Å; I36-L47 HydrophobicContact CG1-CD2 4.26Å; I36-L47 HydrophobicContact CG2-CD2 4.48Å |
| 37 | K | 70.3 | Confident | 68.5 | Low | 144 Ų | 144 | 101 Ų | 101 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -21.5 | 174.5 | -77.9 | 176.9 | -179.4 | 177.7 | 0 | 114.1 | I33 N34 Q35 Q44 | I33-K37 HydrophobicContact CG2-CD 4.16Å; I33-K37 WeakPolarHBondContact O-CB 3.16Å; I33-K37 VanDerWaalsContact O-CG 3.26Å; I33-K37 WeakPolarHBondContact O-CG 3.46Å; I33-K37 PolarHBondContact O-N 3.48Å; N34-K37 PolarHBondContact O-N 3.19Å; Q35-K37 VanDerWaalsContact C-N 3.3Å; Q35-K37 PolarHBondContact O-N 3.27Å; K37-Q44 PolarHBondContact O-NE2 3.44Å |
| 38 | S | 75.2 | Confident | 68.6 | Low | 95 Ų | 95 | 94.9 Ų | 94.9 | 66% | 0.664 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -87.4 | -12.3 | 176.1 | 75.6 | 0 | 0 | 0 | 0 | 114.2 | N34 Q35 I36 | N34-S38 PolarHBondContact O-N 3.4Å; Q35-S38 WeakPolarHBondContact O-CB 3.46Å; Q35-S38 PolarHBondContact O-N 3.1Å; Q35-S38 PolarHBondContact O-OG 3.42Å; I36-S38 PolarHBondContact O-N 3.45Å |
| 39 | L | 72.9 | Confident | 68.8 | Low | 83 Ų | 83 | 90.5 Ų | 90.5 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -74.6 | 155.4 | 176.4 | -71 | 167.3 | 0 | 0 | 0 | 111.6 | Q35 I36 Q44 | Q35-L39 PolarHBondContact O-N 3.1Å; I36-L39 WeakPolarHBondContact O-CB 3.3Å; I36-L39 PolarHBondContact O-N 3.1Å; I36-L39 VanDerWaalsContact O-N 3.15Å; L39-Q44 HydrophobicContact CB-CG 4.24Å; L39-Q44 VanDerWaalsContact O-CD 3.26Å; L39-Q44 WeakPolarHBondContact O-CG 3.4Å; L39-Q44 PolarHBondContact O-NE2 3.38Å |
| 40 | D | 76.2 | Confident | 68.7 | Low | 121 Ų | 121 | 86.5 Ų | 86.5 | 65% | 0.647 | 47% | 0.466 | S | S | * | . | trans | -55.2 | 147.1 | -179.8 | -134.5 | -11 | 0 | 0 | 0 | 112 | A42 T43 Q44 | D40-A42 PolarHBondContact O-N 3.25Å; D40-A42 VanDerWaalsContact O-N 3.1Å; D40-T43 WeakPolarHBondContact CB-OG1 3.48Å; D40-T43 PolarHBondContact N-OG1 3.24Å; D40-T43 PolarHBondContact O-N 3.04Å; D40-T43 PolarHBondContact O-OG1 3.09Å; D40-Q44 PolarHBondContact O-N 3.02Å | ||
| 41 | T | 71.7 | Confident | 68.6 | Low | 95 Ų | 95 | 82 Ų | 82 | 58% | 0.583 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.9 | -29.5 | -174.6 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | Q45 | T41-Q45 WeakPolarHBondContact O-CB 3.5Å; T41-Q45 VanDerWaalsContact O-CG 3.26Å; T41-Q45 WeakPolarHBondContact O-CG 3.49Å; T41-Q45 PolarHBondContact O-N 3.36Å |
| 42 | A | 72.9 | Confident | 68.3 | Low | 67 Ų | 67 | 83.4 Ų | 83.4 | 55% | 0.554 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -70.1 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D40 Q45 S46 | D40-A42 PolarHBondContact O-N 3.25Å; D40-A42 VanDerWaalsContact O-N 3.1Å; A42-Q45 PolarHBondContact O-N 2.98Å; A42-S46 WeakPolarHBondContact O-CB 3.38Å; A42-S46 PolarHBondContact O-N 3.25Å |
| 43 | T | 69.1 | Low | 68.1 | Low | 65 Ų | 65 | 84.6 Ų | 84.6 | 40% | 0.399 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.2 | -35.6 | 176.6 | 44.7 | 0 | 0 | 0 | 0 | 111.3 | D40 S46 L47 | D40-T43 WeakPolarHBondContact CB-OG1 3.48Å; D40-T43 PolarHBondContact N-OG1 3.24Å; D40-T43 PolarHBondContact O-N 3.04Å; D40-T43 PolarHBondContact O-OG1 3.09Å; T43-S46 PolarHBondContact O-N 3.38Å; T43-L47 WeakPolarHBondContact O-CB 3.48Å; T43-L47 PolarHBondContact O-N 3.21Å |
| 44 | Q | 62.9 | Low | 67.3 | Low | 57 Ų | 57 | 83.2 Ų | 83.2 | 27% | 0.266 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 168.7 | -78.1 | 178.9 | -4.2 | 0 | 0 | 112.4 | I36 K37 L39 D40 S46 L47 A48 | I36-Q44 VanDerWaalsContact O-CG 3.25Å; I36-Q44 WeakPolarHBondContact O-CG 3.43Å; I36-Q44 PolarHBondContact O-NE2 2.83Å; K37-Q44 PolarHBondContact O-NE2 3.44Å; L39-Q44 HydrophobicContact CB-CG 4.24Å; L39-Q44 VanDerWaalsContact O-CD 3.26Å; L39-Q44 WeakPolarHBondContact O-CG 3.4Å; L39-Q44 PolarHBondContact O-NE2 3.38Å; D40-Q44 PolarHBondContact O-N 3.02Å; Q44-S46 VanDerWaalsContact C-N 3.33Å; Q44-L47 PolarHBondContact O-N 3.12Å; Q44-A48 WeakPolarHBondContact O-CB 3.3Å; Q44-A48 PolarHBondContact O-N 3.45Å |
| 45 | Q | 63.1 | Low | 66.7 | Low | 131 Ų | 131 | 82.2 Ų | 82.2 | 61% | 0.612 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.6 | -37.9 | 175.5 | -79 | 179.1 | 7.2 | 0 | 0 | 111.6 | T41 A42 A48 N49 | T41-Q45 WeakPolarHBondContact O-CB 3.5Å; T41-Q45 VanDerWaalsContact O-CG 3.26Å; T41-Q45 WeakPolarHBondContact O-CG 3.49Å; T41-Q45 PolarHBondContact O-N 3.36Å; A42-Q45 PolarHBondContact O-N 2.98Å; Q45-A48 PolarHBondContact O-N 3.49Å; Q45-N49 WeakPolarHBondContact O-CB 3.48Å; Q45-N49 PolarHBondContact O-N 3.27Å; Q45-N49 PolarHBondContact O-ND2 3.02Å |
| 46 | S | 67.5 | Low | 66.1 | Low | 78 Ų | 78 | 82.9 Ų | 82.9 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 175.5 | -156.5 | 0 | 0 | 0 | 0 | 111.3 | A42 T43 Q44 N49 E50 | A42-S46 WeakPolarHBondContact O-CB 3.38Å; A42-S46 PolarHBondContact O-N 3.25Å; T43-S46 PolarHBondContact O-N 3.38Å; Q44-S46 VanDerWaalsContact C-N 3.33Å; S46-N49 PolarHBondContact O-N 2.99Å; S46-E50 PolarHBondContact O-N 3.41Å |
| 47 | L | 65.4 | Low | 65.2 | Low | 54 Ų | 54 | 85.7 Ų | 85.7 | 28% | 0.283 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 175 | -119.4 | 106.6 | 0 | 0 | 0 | 111.2 | I36 T43 Q44 N49 E50 I51 | I36-L47 HydrophobicContact CD1-CD2 4.16Å; I36-L47 HydrophobicContact CG1-CD2 4.26Å; I36-L47 HydrophobicContact CG2-CD2 4.48Å; T43-L47 WeakPolarHBondContact O-CB 3.48Å; T43-L47 PolarHBondContact O-N 3.21Å; Q44-L47 PolarHBondContact O-N 3.12Å; L47-N49 VanDerWaalsContact C-N 3.33Å; L47-N49 PolarHBondContact O-N 3.06Å; L47-E50 PolarHBondContact O-N 3.19Å; L47-I51 HydrophobicContact CD2-CD1 4.28Å; L47-I51 WeakPolarHBondContact O-CB 3.46Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 3.3Å |
| 48 | A | 66.2 | Low | 64.2 | Low | 45 Ų | 45 | 80.1 Ų | 80.1 | 37% | 0.372 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66 | -35.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q44 Q45 R52 | Q44-A48 WeakPolarHBondContact O-CB 3.3Å; Q44-A48 PolarHBondContact O-N 3.45Å; Q45-A48 PolarHBondContact O-N 3.49Å; A48-R52 WeakPolarHBondContact O-CB 3.46Å; A48-R52 PolarHBondContact O-N 3.5Å |
| 49 | N | 67.1 | Low | 63 | Low | 73 Ų | 73 | 82.8 Ų | 82.8 | 39% | 0.39 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 172.8 | -78.2 | -11.3 | 0 | 0 | 0 | 111.4 | Q45 S46 L47 R52 K53 | Q45-N49 WeakPolarHBondContact O-CB 3.48Å; Q45-N49 PolarHBondContact O-N 3.27Å; Q45-N49 PolarHBondContact O-ND2 3.02Å; S46-N49 PolarHBondContact O-N 2.99Å; L47-N49 VanDerWaalsContact C-N 3.33Å; L47-N49 PolarHBondContact O-N 3.06Å; N49-R52 PolarHBondContact O-N 3.08Å; N49-R52 PolarHBondContact OD1-NH2 3.04Å; N49-K53 WeakPolarHBondContact O-CG 3.5Å; N49-K53 PolarHBondContact O-N 3.03Å |
| 50 | E | 63.8 | Low | 62 | Low | 60 Ų | 60 | 83 Ų | 83 | 28% | 0.28 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -71.9 | -41.1 | 178.5 | -139.1 | 60 | -169 | 0 | 0 | 111.7 | S46 L47 R52 K53 I54 | S46-E50 PolarHBondContact O-N 3.41Å; L47-E50 PolarHBondContact O-N 3.19Å; E50-R52 VanDerWaalsContact C-N 3.29Å; E50-R52 PolarHBondContact O-N 3.48Å; E50-K53 PolarHBondContact O-N 3.28Å; E50-K53 IonicContact OE1-NZ 2.89Å; E50-K53 IonicContact OE2-NZ 3.88Å; E50-K53 PolarHBondContact OE2-NZ 2.9Å; E50-I54 VanDerWaalsContact O-CD1 3.26Å; E50-I54 WeakPolarHBondContact O-CD1 3.44Å; E50-I54 WeakPolarHBondContact O-CG1 3.47Å; E50-I54 PolarHBondContact O-N 3.36Å |
| 51 | I | 64.1 | Low | 60.7 | Low | 59 Ų | 59 | 81.5 Ų | 81.5 | 30% | 0.303 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 169.6 | -66.5 | 164.9 | 0 | 0 | 0 | 110.4 | L20 L47 I54 T55 | L20-I51 HydrophobicContact CD1-CD1 4.4Å; L20-I51 HydrophobicContact CD1-CG1 4.48Å; L20-I51 HydrophobicContact CD2-CG1 3.93Å; L47-I51 HydrophobicContact CD2-CD1 4.28Å; L47-I51 WeakPolarHBondContact O-CB 3.46Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 3.3Å; I51-I54 PolarHBondContact O-N 3.01Å; I51-T55 HydrophobicContact CG2-CG2 4.49Å; I51-T55 WeakPolarHBondContact O-CB 3.48Å; I51-T55 PolarHBondContact O-N 3.42Å; I51-T55 PolarHBondContact O-OG1 3.44Å |
| 52 | R | 63.2 | Low | 59.7 | Low | 133 Ų | 133 | 80.7 Ų | 80.7 | 50% | 0.502 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 179 | -160.7 | -167.5 | -31.2 | -166.1 | 8.5 | 112.2 | A48 N49 E50 I54 T55 N56 | A48-R52 WeakPolarHBondContact O-CB 3.46Å; A48-R52 PolarHBondContact O-N 3.5Å; N49-R52 PolarHBondContact O-N 3.08Å; N49-R52 PolarHBondContact OD1-NH2 3.04Å; E50-R52 VanDerWaalsContact C-N 3.29Å; E50-R52 PolarHBondContact O-N 3.48Å; R52-I54 VanDerWaalsContact C-N 3.35Å; R52-T55 WeakPolarHBondContact CA-OG1 3.37Å; R52-T55 PolarHBondContact O-N 3.34Å; R52-T55 PolarHBondContact O-OG1 3.34Å; R52-N56 VanDerWaalsContact O-CB 3.27Å; R52-N56 WeakPolarHBondContact O-CB 3.35Å; R52-N56 PolarHBondContact O-N 3.36Å |
| 53 | K | 61.5 | Low | 58.7 | Low | 94 Ų | 94 | 80.1 Ų | 80.1 | 41% | 0.409 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 170.6 | -74.7 | 179.2 | -166.5 | 156.2 | 0 | 110.2 | N49 E50 T55 E57 | N49-K53 WeakPolarHBondContact O-CG 3.5Å; N49-K53 PolarHBondContact O-N 3.03Å; E50-K53 PolarHBondContact O-N 3.28Å; E50-K53 IonicContact OE1-NZ 2.89Å; E50-K53 IonicContact OE2-NZ 3.88Å; E50-K53 PolarHBondContact OE2-NZ 2.9Å; K53-T55 VanDerWaalsContact C-N 3.26Å; K53-T55 PolarHBondContact O-N 3.05Å; K53-E57 WeakPolarHBondContact O-CA 3.49Å; K53-E57 WeakPolarHBondContact O-CB 3.33Å; K53-E57 WeakPolarHBondContact O-CG 3.26Å; K53-E57 PolarHBondContact O-N 3.26Å |
| 54 | I | 53 | Low | 57.9 | Low | 32 Ų | 32 | 82.6 Ų | 82.6 | 16% | 0.164 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.5 | -26.5 | -179.3 | -62.5 | 157.6 | 0 | 0 | 0 | 112.8 | L17 E50 I51 R52 I60 V61 | L17-I54 HydrophobicContact CD1-CD1 3.54Å; L17-I54 HydrophobicContact CD1-CG1 4.02Å; L17-I54 HydrophobicContact CD1-CG2 3.94Å; E50-I54 VanDerWaalsContact O-CD1 3.26Å; E50-I54 WeakPolarHBondContact O-CD1 3.44Å; E50-I54 WeakPolarHBondContact O-CG1 3.47Å; E50-I54 PolarHBondContact O-N 3.36Å; I51-I54 PolarHBondContact O-N 3.01Å; R52-I54 VanDerWaalsContact C-N 3.35Å; I54-I60 HydrophobicContact CB-CD1 4.46Å; I54-I60 HydrophobicContact CG1-CD1 4.08Å; I54-I60 HydrophobicContact CG2-CB 3.99Å; I54-I60 HydrophobicContact CG2-CD1 4.08Å; I54-I60 HydrophobicContact CG2-CG2 3.94Å; I54-V61 HydrophobicContact CG2-CG2 4.44Å |
| 55 | T | 57.4 | Low | 57.4 | Low | 76 Ų | 76 | 83.5 Ų | 83.5 | 47% | 0.466 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -97.4 | -32.8 | -178.9 | 44.4 | 0 | 0 | 0 | 0 | 114.7 | I51 R52 K53 | I51-T55 HydrophobicContact CG2-CG2 4.49Å; I51-T55 WeakPolarHBondContact O-CB 3.48Å; I51-T55 PolarHBondContact O-N 3.42Å; I51-T55 PolarHBondContact O-OG1 3.44Å; R52-T55 WeakPolarHBondContact CA-OG1 3.37Å; R52-T55 PolarHBondContact O-N 3.34Å; R52-T55 PolarHBondContact O-OG1 3.34Å; K53-T55 VanDerWaalsContact C-N 3.26Å; K53-T55 PolarHBondContact O-N 3.05Å |
| 56 | N | 55.9 | Low | 56.9 | Low | 127 Ų | 127 | 81.6 Ų | 81.6 | 68% | 0.679 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -97.7 | -27.9 | 179 | -72.9 | 1.1 | 0 | 0 | 0 | 113.1 | R52 G58 | R52-N56 VanDerWaalsContact O-CB 3.27Å; R52-N56 WeakPolarHBondContact O-CB 3.35Å; R52-N56 PolarHBondContact O-N 3.36Å; N56-G58 PolarHBondContact O-N 3.03Å |
| 57 | E | 49.1 | Very low | 56.1 | Low | 110 Ų | 110 | 84.5 Ų | 84.5 | 51% | 0.514 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -76.6 | 103.9 | 160.3 | -55 | 174.8 | -176.3 | 0 | 0 | 104.2 | K53 K59 | K53-E57 WeakPolarHBondContact O-CA 3.49Å; K53-E57 WeakPolarHBondContact O-CB 3.33Å; K53-E57 WeakPolarHBondContact O-CG 3.26Å; K53-E57 PolarHBondContact O-N 3.26Å; E57-K59 PolarHBondContact O-N 3.43Å |
| 58 | G | 50.8 | Low | 55.4 | Low | 27 Ų | 27 | 89.7 Ų | 89.7 | 28% | 0.278 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 25.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N56 | N56-G58 PolarHBondContact O-N 3.03Š|
| 59 | K | 49.6 | Very low | 54.4 | Low | 151 Ų | 151 | 95.3 Ų | 95.3 | 66% | 0.657 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -10.2 | -178.7 | -85.5 | -171 | 176.3 | -175.2 | 0 | 114.7 | E57 H82 | E57-K59 PolarHBondContact O-N 3.43Å; K59-H82 WeakPolarHBondContact CA-CE1 3.49Å; K59-H82 PolarHBondContact O-CE1 3.02Å; K59-H82 PolarHBondContact O-NE2 3.5Å; K59-H82 VanDerWaalsContact O-NE2 3.16Å |
| 60 | I | 52.2 | Low | 53.3 | Low | 89 Ų | 89 | 94 Ų | 94 | 46% | 0.456 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -130.4 | -30.6 | -176.9 | -60.5 | 172.9 | 0 | 0 | 0 | 112.3 | L17 I54 | L17-I60 HydrophobicContact CD1-CD1 4.35Å; L17-I60 HydrophobicContact CD1-CG2 4.42Å; L17-I60 HydrophobicContact CD2-CG2 4.01Å; I54-I60 HydrophobicContact CB-CD1 4.46Å; I54-I60 HydrophobicContact CG1-CD1 4.08Å; I54-I60 HydrophobicContact CG2-CB 3.99Å; I54-I60 HydrophobicContact CG2-CD1 4.08Å; I54-I60 HydrophobicContact CG2-CG2 3.94Å |
| 61 | V | 48.4 | Very low | 52.7 | Low | 88 Ų | 88 | 96.8 Ų | 96.8 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | trans | -126.6 | 102.2 | -177.8 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | I54 | I54-V61 HydrophobicContact CG2-CG2 4.44Š| ||
| 62 | L | 51.3 | Low | 51.9 | Low | 79 Ų | 79 | 102.3 Ų | 102.3 | 41% | 0.414 | 53% | 0.533 | S | S | . | . | trans | -86.5 | 112.1 | 169.7 | -76.2 | 160.7 | 0 | 0 | 0 | 109.1 | V64 L79 | L62-V64 PolarHBondContact O-N 3.09Å; L62-L79 HydrophobicContact CD1-CD1 4.21Å; L62-L79 HydrophobicContact CD2-CD1 3.97Å | ||
| 63 | S | 51.6 | Low | 51 | Low | 55 Ų | 55 | 102 Ų | 102 | 39% | 0.385 | 54% | 0.541 | S | S | . | . | trans | -74.2 | 123.3 | 170.5 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | S65 D66 | S63-S65 PolarHBondContact O-N 2.93Å; S63-D66 PolarHBondContact O-N 3.22Å | ||
| 64 | V | 52.2 | Low | 50.6 | Low | 117 Ų | 117 | 100.7 Ų | 100.7 | 71% | 0.709 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -26 | 176.4 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | L62 D66 W67 | L62-V64 PolarHBondContact O-N 3.09Å; V64-D66 VanDerWaalsContact C-N 3.29Å; V64-D66 PolarHBondContact O-N 3.16Å; V64-W67 WeakPolarHBondContact O-CB 3.46Å; V64-W67 PolarHBondContact O-N 3.45Å |
| 65 | S | 52.3 | Low | 50.7 | Low | 75 Ų | 75 | 103 Ų | 103 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -29.1 | 176.7 | -54 | 0 | 0 | 0 | 0 | 113.8 | S63 W67 Q68 | S63-S65 PolarHBondContact O-N 2.93Å; S65-W67 PolarHBondContact O-N 3.36Å; S65-Q68 PolarHBondContact O-N 2.89Å |
| 66 | D | 52.9 | Low | 50.7 | Low | 91 Ų | 91 | 103.3 Ų | 103.3 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.4 | -18.7 | -179.7 | -63.2 | -32.8 | 0 | 0 | 0 | 112.3 | S63 V64 | S63-D66 PolarHBondContact O-N 3.22Å; V64-D66 VanDerWaalsContact C-N 3.29Å; V64-D66 PolarHBondContact O-N 3.16Å |
| 67 | W | 50.8 | Low | 51 | Low | 140 Ų | 140 | 104.9 Ų | 104.9 | 53% | 0.53 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.6 | -31.9 | 175.1 | -61.1 | 64 | 0 | 0 | 0 | 112 | V64 S65 H69 L79 | V64-W67 WeakPolarHBondContact O-CB 3.46Å; V64-W67 PolarHBondContact O-N 3.45Å; S65-W67 PolarHBondContact O-N 3.36Å; W67-H69 VanDerWaalsContact C-N 3.32Å; W67-H69 PolarHBondContact O-N 3.5Å; W67-L79 HydrophobicContact CE3-CD2 4.29Å; W67-L79 HydrophobicContact CH2-CD1 3.95Å; W67-L79 HydrophobicContact CH2-CD2 4.04Å; W67-L79 HydrophobicContact CZ2-CD1 3.71Å; W67-L79 HydrophobicContact CZ2-CD2 4.36Å; W67-L79 HydrophobicContact CZ3-CD2 4Å |
| 68 | Q | 50.3 | Low | 51.7 | Low | 162 Ų | 162 | 104.1 Ų | 104.1 | 76% | 0.757 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -79.8 | -14 | -175.4 | -102.9 | 179.1 | -15.3 | 0 | 0 | 113.4 | S65 | S65-Q68 PolarHBondContact O-N 2.89Å |
| 69 | H | 46.1 | Very low | 52.3 | Low | 164 Ų | 164 | 104.8 Ų | 104.8 | 76% | 0.759 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -124.5 | 11.8 | -175.1 | -63.9 | -28.7 | 0 | 0 | 0 | 114.6 | W67 S71 | W67-H69 VanDerWaalsContact C-N 3.32Å; W67-H69 PolarHBondContact O-N 3.5Å; H69-S71 PolarHBondContact O-N 2.92Å |
| 70 | S | 43.3 | Very low | 53.2 | Low | 44 Ų | 44 | 101.6 Ų | 101.6 | 31% | 0.308 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.4 | 19.2 | -175.9 | 74 | 0 | 0 | 0 | 0 | 115.7 | E72 | S70-E72 PolarHBondContact O-N 3.26Š|
| 71 | S | 49.9 | Very low | 54.1 | Low | 119 Ų | 119 | 104 Ų | 104 | 83% | 0.832 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -12.1 | 179.2 | -163.3 | 0 | 0 | 0 | 0 | 113.6 | H69 | H69-S71 PolarHBondContact O-N 2.92Š|
| 72 | E | 48.7 | Very low | 54.9 | Low | 176 Ų | 176 | 101.1 Ų | 101.1 | 82% | 0.822 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -132.4 | -13.5 | -172 | -70.9 | -171.8 | 156.8 | 0 | 0 | 116.8 | S70 | S70-E72 PolarHBondContact O-N 3.26Š|
| 73 | N | 44.5 | Very low | 55.8 | Low | 126 Ų | 126 | 101.6 Ų | 101.6 | 67% | 0.674 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -126.9 | 142.2 | -178.7 | -66.8 | -26.4 | 0 | 0 | 0 | 111.2 | N75 | N73-N75 PolarHBondContact O-N 3.36Š|
| 74 | G | 51.8 | Low | 57 | Low | 66 Ų | 66 | 101.7 Ų | 101.7 | 68% | 0.68 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -57.4 | 32.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | V76 | G74-V76 VanDerWaalsContact C-N 3.26Å; G74-V76 PolarHBondContact O-N 3.1Å |
| 75 | N | 55.6 | Low | 58.3 | Low | 82 Ų | 82 | 98.8 Ų | 98.8 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.3 | -15.2 | 173.4 | -71.5 | -3.8 | 0 | 0 | 0 | 112.9 | N73 E77 L79 | N73-N75 PolarHBondContact O-N 3.36Å; N75-E77 VanDerWaalsContact C-N 3.34Å; N75-L79 VanDerWaalsContact O-CB 3.29Å; N75-L79 WeakPolarHBondContact O-CB 3.39Å; N75-L79 PolarHBondContact O-N 3.06Å |
| 76 | V | 58.4 | Low | 59.4 | Low | 81 Ų | 81 | 99 Ų | 99 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 177 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | G74 L79 V80 | G74-V76 VanDerWaalsContact C-N 3.26Å; G74-V76 PolarHBondContact O-N 3.1Å; V76-L79 PolarHBondContact O-N 3.35Å; V76-V80 HydrophobicContact CG1-CG2 4.39Å; V76-V80 VanDerWaalsContact O-CG2 3.3Å; V76-V80 WeakPolarHBondContact O-CG2 3.46Å; V76-V80 PolarHBondContact O-N 3.44Å |
| 77 | E | 62.1 | Low | 60.5 | Low | 160 Ų | 160 | 98.2 Ų | 98.2 | 75% | 0.748 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.2 | -44.9 | 178.8 | -129.1 | 170.6 | -166.5 | 0 | 0 | 111.1 | N75 L79 V80 E81 | N75-E77 VanDerWaalsContact C-N 3.34Å; E77-L79 VanDerWaalsContact C-N 3.3Å; E77-L79 PolarHBondContact O-N 3.13Å; E77-V80 PolarHBondContact O-N 3.4Å; E77-E81 PolarHBondContact O-N 2.99Å |
| 78 | L | 62.8 | Low | 62 | Low | 94 Ų | 94 | 98 Ų | 98 | 49% | 0.492 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 174.6 | -157.2 | 83.8 | 0 | 0 | 0 | 111.5 | H82 | L78-H82 WeakPolarHBondContact O-CB 3.24Å; L78-H82 PolarHBondContact O-N 3.41Å |
| 79 | L | 63 | Low | 63.4 | Low | 41 Ų | 41 | 95 Ų | 95 | 22% | 0.215 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 177.5 | -176.7 | 66.1 | 0 | 0 | 0 | 112.1 | L62 W67 N75 V76 E77 H82 L83 | L62-L79 HydrophobicContact CD1-CD1 4.21Å; L62-L79 HydrophobicContact CD2-CD1 3.97Å; W67-L79 HydrophobicContact CE3-CD2 4.29Å; W67-L79 HydrophobicContact CH2-CD1 3.95Å; W67-L79 HydrophobicContact CH2-CD2 4.04Å; W67-L79 HydrophobicContact CZ2-CD1 3.71Å; W67-L79 HydrophobicContact CZ2-CD2 4.36Å; W67-L79 HydrophobicContact CZ3-CD2 4Å; N75-L79 VanDerWaalsContact O-CB 3.29Å; N75-L79 WeakPolarHBondContact O-CB 3.39Å; N75-L79 PolarHBondContact O-N 3.06Å; V76-L79 PolarHBondContact O-N 3.35Å; E77-L79 VanDerWaalsContact C-N 3.3Å; E77-L79 PolarHBondContact O-N 3.13Å; L79-H82 WeakPolarHBondContact O-CB 3.4Å; L79-H82 PolarHBondContact O-N 3.05Å; L79-L83 HydrophobicContact CD1-CD1 4.28Å; L79-L83 HydrophobicContact CG-CD1 4.43Å; L79-L83 PolarHBondContact O-N 2.93Å |
| 80 | V | 68.3 | Low | 65.1 | Low | 85 Ų | 85 | 94.7 Ų | 94.7 | 52% | 0.515 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 176.5 | 171.1 | 0 | 0 | 0 | 0 | 111 | V76 E77 H82 L83 S84 | V76-V80 HydrophobicContact CG1-CG2 4.39Å; V76-V80 VanDerWaalsContact O-CG2 3.3Å; V76-V80 WeakPolarHBondContact O-CG2 3.46Å; V76-V80 PolarHBondContact O-N 3.44Å; E77-V80 PolarHBondContact O-N 3.4Å; V80-H82 PolarHBondContact O-N 2.93Å; V80-L83 PolarHBondContact O-N 3.48Å; V80-S84 WeakPolarHBondContact O-CB 3.31Å; V80-S84 PolarHBondContact O-N 3.06Å; V80-S84 PolarHBondContact O-OG 3.38Å |
| 81 | E | 71.2 | Confident | 67.1 | Low | 138 Ų | 138 | 95.2 Ų | 95.2 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.8 | -40.5 | 170.7 | -99.2 | -171.6 | 157.1 | 0 | 0 | 110.9 | E77 S84 S85 | E77-E81 PolarHBondContact O-N 2.99Å; E81-S84 PolarHBondContact O-N 2.94Å; E81-S85 PolarHBondContact O-N 3.13Å |
| 82 | H | 66.7 | Low | 68.6 | Low | 29 Ų | 29 | 95.7 Ų | 95.7 | 13% | 0.134 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -66.5 | -48.2 | 179.1 | -140.7 | 69.2 | 0 | 0 | 0 | 112.8 | K59 L78 L79 V80 S84 S85 V86 | K59-H82 WeakPolarHBondContact CA-CE1 3.49Å; K59-H82 PolarHBondContact O-CE1 3.02Å; K59-H82 PolarHBondContact O-NE2 3.5Å; K59-H82 VanDerWaalsContact O-NE2 3.16Å; L78-H82 WeakPolarHBondContact O-CB 3.24Å; L78-H82 PolarHBondContact O-N 3.41Å; L79-H82 WeakPolarHBondContact O-CB 3.4Å; L79-H82 PolarHBondContact O-N 3.05Å; V80-H82 PolarHBondContact O-N 2.93Å; H82-S84 PolarHBondContact O-N 3.37Å; H82-S85 PolarHBondContact O-N 3.1Å; H82-V86 WeakPolarHBondContact O-CG2 3.43Å; H82-V86 PolarHBondContact O-N 3.33Å |
| 83 | L | 69.4 | Low | 70.2 | Confident | 89 Ų | 89 | 93.6 Ų | 93.6 | 47% | 0.466 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.9 | -42.3 | 175.1 | -117.5 | 85.2 | 0 | 0 | 0 | 110.6 | L79 V80 V86 I87 | L79-L83 HydrophobicContact CD1-CD1 4.28Å; L79-L83 HydrophobicContact CG-CD1 4.43Å; L79-L83 PolarHBondContact O-N 2.93Å; V80-L83 PolarHBondContact O-N 3.48Å; L83-V86 PolarHBondContact O-N 3.45Å; L83-I87 WeakPolarHBondContact O-CB 3.29Å; L83-I87 WeakPolarHBondContact O-CD1 3.28Å; L83-I87 WeakPolarHBondContact O-CG1 3.4Å; L83-I87 PolarHBondContact O-N 3.39Å |
| 84 | S | 77.8 | Confident | 71.9 | Confident | 56 Ų | 56 | 90.3 Ų | 90.3 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 178.3 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | V80 E81 H82 V86 I87 E88 | V80-S84 WeakPolarHBondContact O-CB 3.31Å; V80-S84 PolarHBondContact O-N 3.06Å; V80-S84 PolarHBondContact O-OG 3.38Å; E81-S84 PolarHBondContact O-N 2.94Å; H82-S84 PolarHBondContact O-N 3.37Å; S84-V86 PolarHBondContact O-N 3.25Å; S84-I87 PolarHBondContact O-N 3.42Å; S84-E88 WeakPolarHBondContact O-CG 3.35Å; S84-E88 PolarHBondContact O-N 3.28Å |
| 85 | S | 78.2 | Confident | 73.1 | Confident | 56 Ų | 56 | 94 Ų | 94 | 39% | 0.392 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 175.9 | -172.8 | 0 | 0 | 0 | 0 | 112.8 | E81 H82 E88 E89 | E81-S85 PolarHBondContact O-N 3.13Å; H82-S85 PolarHBondContact O-N 3.1Å; S85-E88 PolarHBondContact O-N 2.67Å; S85-E89 PolarHBondContact O-N 3.1Å |
| 86 | V | 75 | Confident | 74.2 | Confident | 79 Ų | 79 | 93.8 Ų | 93.8 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.1 | -37.2 | 178.3 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | H82 L83 S84 E89 R90 | H82-V86 WeakPolarHBondContact O-CG2 3.43Å; H82-V86 PolarHBondContact O-N 3.33Å; L83-V86 PolarHBondContact O-N 3.45Å; S84-V86 PolarHBondContact O-N 3.25Å; V86-E89 PolarHBondContact O-N 3.07Å; V86-R90 WeakPolarHBondContact O-CB 3.46Å; V86-R90 PolarHBondContact O-N 3.1Å |
| 87 | I | 77.9 | Confident | 75 | Confident | 75 Ų | 75 | 95.9 Ų | 95.9 | 39% | 0.385 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 173.6 | -69.3 | 163.3 | 0 | 0 | 0 | 110 | L83 S84 E89 R90 D91 | L83-I87 WeakPolarHBondContact O-CB 3.29Å; L83-I87 WeakPolarHBondContact O-CD1 3.28Å; L83-I87 WeakPolarHBondContact O-CG1 3.4Å; L83-I87 PolarHBondContact O-N 3.39Å; S84-I87 PolarHBondContact O-N 3.42Å; I87-E89 PolarHBondContact O-N 3.18Å; I87-R90 WeakPolarHBondContact O-CB 3.28Å; I87-R90 PolarHBondContact O-N 3.06Å; I87-D91 WeakPolarHBondContact O-CB 3.41Å; I87-D91 PolarHBondContact O-N 3.12Å |
| 88 | E | 80.4 | Confident | 75.7 | Confident | 136 Ų | 136 | 93.4 Ų | 93.4 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.5 | -42 | 175.8 | -76.8 | -176.8 | 179 | 0 | 0 | 112.5 | S84 S85 D91 K92 | S84-E88 WeakPolarHBondContact O-CG 3.35Å; S84-E88 PolarHBondContact O-N 3.28Å; S85-E88 PolarHBondContact O-N 2.67Å; E88-D91 PolarHBondContact O-N 3.4Å; E88-K92 WeakPolarHBondContact O-CB 3.49Å; E88-K92 PolarHBondContact O-N 3.31Å |
| 89 | E | 81.1 | Confident | 76.2 | Confident | 100 Ų | 100 | 94.3 Ų | 94.3 | 47% | 0.467 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 174.2 | -78.2 | -160 | 166.3 | 0 | 0 | 111.8 | S85 V86 I87 D91 K92 Y93 | S85-E89 PolarHBondContact O-N 3.1Å; V86-E89 PolarHBondContact O-N 3.07Å; I87-E89 PolarHBondContact O-N 3.18Å; E89-D91 VanDerWaalsContact C-N 3.27Å; E89-D91 PolarHBondContact O-N 3.39Å; E89-K92 WeakPolarHBondContact O-CB 3.39Å; E89-K92 PolarHBondContact O-N 3.5Å; E89-K92 VanDerWaalsContact O-N 3.13Å; E89-Y93 HydrophobicContact CB-CD2 4.43Å; E89-Y93 HydrophobicContact CB-CE2 4.15Å; E89-Y93 WeakPolarHBondContact O-CD2 3.48Å; E89-Y93 PolarHBondContact O-N 3.09Å |
| 90 | R | 81.7 | Confident | 76.4 | Confident | 156 Ų | 156 | 97.7 Ų | 97.7 | 59% | 0.589 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -55.8 | -45.6 | 175.4 | -176.3 | -159.1 | 71.4 | 168.6 | -0.7 | 110.7 | V86 I87 K92 Y93 A94 | V86-R90 WeakPolarHBondContact O-CB 3.46Å; V86-R90 PolarHBondContact O-N 3.1Å; I87-R90 WeakPolarHBondContact O-CB 3.28Å; I87-R90 PolarHBondContact O-N 3.06Å; R90-K92 VanDerWaalsContact C-N 3.3Å; R90-K92 PolarHBondContact O-N 3.48Å; R90-Y93 PolarHBondContact O-N 2.68Å; R90-A94 WeakPolarHBondContact O-CB 3.36Å; R90-A94 PolarHBondContact O-N 2.82Å |
| 91 | D | 83.9 | Confident | 76.4 | Confident | 56 Ų | 56 | 96.5 Ų | 96.5 | 30% | 0.299 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70 | -31.2 | -178.9 | -67.9 | -5 | 0 | 0 | 0 | 111.4 | I87 E88 E89 R95 | I87-D91 WeakPolarHBondContact O-CB 3.41Å; I87-D91 PolarHBondContact O-N 3.12Å; E88-D91 PolarHBondContact O-N 3.4Å; E89-D91 VanDerWaalsContact C-N 3.27Å; E89-D91 PolarHBondContact O-N 3.39Å; D91-R95 WeakPolarHBondContact O-CB 3.36Å; D91-R95 PolarHBondContact O-N 3.16Å |
| 92 | K | 83.4 | Confident | 76.1 | Confident | 129 Ų | 129 | 95 Ų | 95 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68 | -44.3 | 171.5 | -161.3 | 179.5 | -176.1 | -177.2 | 0 | 111.7 | E88 E89 R90 R95 N96 | E88-K92 WeakPolarHBondContact O-CB 3.49Å; E88-K92 PolarHBondContact O-N 3.31Å; E89-K92 WeakPolarHBondContact O-CB 3.39Å; E89-K92 PolarHBondContact O-N 3.5Å; E89-K92 VanDerWaalsContact O-N 3.13Å; R90-K92 VanDerWaalsContact C-N 3.3Å; R90-K92 PolarHBondContact O-N 3.48Å; K92-R95 PolarHBondContact O-N 3.36Å; K92-N96 PolarHBondContact O-N 2.91Å; K92-N96 PolarHBondContact O-OD1 3.02Å |
| 93 | Y | 81.7 | Confident | 75.9 | Confident | 132 Ų | 132 | 98.9 Ų | 98.9 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 174.3 | -69.9 | -59.9 | 0 | 0 | 0 | 111.9 | E89 R90 N96 L97 | E89-Y93 HydrophobicContact CB-CD2 4.43Å; E89-Y93 HydrophobicContact CB-CE2 4.15Å; E89-Y93 WeakPolarHBondContact O-CD2 3.48Å; E89-Y93 PolarHBondContact O-N 3.09Å; R90-Y93 PolarHBondContact O-N 2.68Å; Y93-N96 PolarHBondContact O-N 3.4Å; Y93-L97 WeakPolarHBondContact O-CB 3.38Å; Y93-L97 PolarHBondContact O-N 3.47Å |
| 94 | A | 79.5 | Confident | 75.1 | Confident | 56 Ų | 56 | 101.4 Ų | 101.4 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R90 L97 L98 | R90-A94 WeakPolarHBondContact O-CB 3.36Å; R90-A94 PolarHBondContact O-N 2.82Å; A94-L97 PolarHBondContact O-N 3.47Å; A94-L98 WeakPolarHBondContact O-CB 3.49Å; A94-L98 PolarHBondContact O-N 3.2Å |
| 95 | R | 76.4 | Confident | 73.8 | Confident | 143 Ų | 143 | 105.1 Ų | 105.1 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -49 | 172.2 | -97.3 | 178.9 | -80.9 | 105.8 | -0 | 112 | D91 K92 L97 L98 E99 | D91-R95 WeakPolarHBondContact O-CB 3.36Å; D91-R95 PolarHBondContact O-N 3.16Å; K92-R95 PolarHBondContact O-N 3.36Å; R95-L97 VanDerWaalsContact C-N 3.28Å; R95-L97 PolarHBondContact O-N 2.87Å; R95-L98 WeakPolarHBondContact O-CB 3.21Å; R95-L98 PolarHBondContact O-N 3.05Å; R95-L98 VanDerWaalsContact O-N 3.14Å; R95-E99 WeakPolarHBondContact O-CB 3.49Å; R95-E99 PolarHBondContact O-N 3.09Å |
| 96 | N | 80 | Confident | 72.4 | Confident | 79 Ų | 79 | 105.3 Ų | 105.3 | 42% | 0.422 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 177 | -75.4 | 19.8 | 0 | 0 | 0 | 112 | K92 Y93 L98 E99 M100 | K92-N96 PolarHBondContact O-N 2.91Å; K92-N96 PolarHBondContact O-OD1 3.02Å; Y93-N96 PolarHBondContact O-N 3.4Å; N96-L98 VanDerWaalsContact C-N 3.35Å; N96-E99 PolarHBondContact O-N 3.29Å; N96-M100 VanDerWaalsContact O-CB 3.26Å; N96-M100 WeakPolarHBondContact O-CB 3.35Å; N96-M100 WeakPolarHBondContact O-CG 3.46Å; N96-M100 PolarHBondContact O-N 3.47Å |
| 97 | L | 74.8 | Confident | 71.1 | Confident | 125 Ų | 125 | 106.2 Ų | 106.2 | 65% | 0.654 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.5 | -39.8 | 176 | -145.9 | 90.8 | 0 | 0 | 0 | 111.1 | Y93 A94 R95 S101 | Y93-L97 WeakPolarHBondContact O-CB 3.38Å; Y93-L97 PolarHBondContact O-N 3.47Å; A94-L97 PolarHBondContact O-N 3.47Å; R95-L97 VanDerWaalsContact C-N 3.28Å; R95-L97 PolarHBondContact O-N 2.87Å; L97-S101 VanDerWaalsContact O-CB 3.3Å; L97-S101 WeakPolarHBondContact O-CB 3.37Å; L97-S101 PolarHBondContact O-N 3.23Å; L97-S101 PolarHBondContact O-OG 3.28Å |
| 98 | L | 75.7 | Confident | 69.5 | Low | 107 Ų | 107 | 106.2 Ų | 106.2 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.8 | -43.4 | 175.6 | -158.1 | 89 | 0 | 0 | 0 | 110.8 | A94 R95 N96 S101 Q102 | A94-L98 WeakPolarHBondContact O-CB 3.49Å; A94-L98 PolarHBondContact O-N 3.2Å; R95-L98 WeakPolarHBondContact O-CB 3.21Å; R95-L98 PolarHBondContact O-N 3.05Å; R95-L98 VanDerWaalsContact O-N 3.14Å; N96-L98 VanDerWaalsContact C-N 3.35Å; L98-S101 CarbonylContact O-C 3.5Å; L98-S101 WeakPolarHBondContact O-CB 3.38Å; L98-S101 PolarHBondContact O-N 2.94Å; L98-Q102 WeakPolarHBondContact O-CB 3.37Å; L98-Q102 VanDerWaalsContact O-CG 3.28Å; L98-Q102 WeakPolarHBondContact O-CG 3.39Å; L98-Q102 PolarHBondContact O-N 3.14Å |
| 99 | E | 74.4 | Confident | 67.8 | Low | 113 Ų | 113 | 103.5 Ų | 103.5 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -45.4 | 178.1 | -152.7 | 169.1 | -148.9 | 0 | 0 | 110.6 | R95 N96 S101 Q102 E103 | R95-E99 WeakPolarHBondContact O-CB 3.49Å; R95-E99 PolarHBondContact O-N 3.09Å; N96-E99 PolarHBondContact O-N 3.29Å; E99-S101 VanDerWaalsContact C-N 3.3Å; E99-S101 PolarHBondContact O-N 3.17Å; E99-Q102 CarbonylContact O-C 3.58Å; E99-Q102 PolarHBondContact O-N 3.49Å; E99-E103 WeakPolarHBondContact O-CB 3.34Å; E99-E103 WeakPolarHBondContact O-CG 3.43Å; E99-E103 PolarHBondContact O-N 3.46Å |
| 100 | M | 67.3 | Low | 65.8 | Low | 112 Ų | 112 | 105.4 Ų | 105.4 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.1 | -37 | 170.6 | -75.5 | -78 | -54.6 | 0 | 0 | 112.7 | N96 E103 H104 | N96-M100 VanDerWaalsContact O-CB 3.26Å; N96-M100 WeakPolarHBondContact O-CB 3.35Å; N96-M100 WeakPolarHBondContact O-CG 3.46Å; N96-M100 PolarHBondContact O-N 3.47Å; M100-E103 PolarHBondContact O-N 3.22Å; M100-H104 WeakPolarHBondContact O-CB 3.28Å; M100-H104 PolarHBondContact O-N 3.05Å |
| 101 | S | 68.2 | Low | 63.7 | Low | 61 Ų | 61 | 102.2 Ų | 102.2 | 43% | 0.427 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.9 | -38.2 | 176.4 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | L97 L98 E99 H104 E105 | L97-S101 VanDerWaalsContact O-CB 3.3Å; L97-S101 WeakPolarHBondContact O-CB 3.37Å; L97-S101 PolarHBondContact O-N 3.23Å; L97-S101 PolarHBondContact O-OG 3.28Å; L98-S101 CarbonylContact O-C 3.5Å; L98-S101 WeakPolarHBondContact O-CB 3.38Å; L98-S101 PolarHBondContact O-N 2.94Å; E99-S101 VanDerWaalsContact C-N 3.3Å; E99-S101 PolarHBondContact O-N 3.17Å; S101-H104 PolarHBondContact O-N 3.03Å; S101-E105 PolarHBondContact O-N 2.91Å |
| 102 | Q | 64.6 | Low | 61.5 | Low | 106 Ų | 106 | 103.5 Ų | 103.5 | 50% | 0.495 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.2 | -34.8 | 173.7 | -72.4 | 174.4 | 12.6 | 0 | 0 | 112 | L98 E99 E105 S106 | L98-Q102 WeakPolarHBondContact O-CB 3.37Å; L98-Q102 VanDerWaalsContact O-CG 3.28Å; L98-Q102 WeakPolarHBondContact O-CG 3.39Å; L98-Q102 PolarHBondContact O-N 3.14Å; E99-Q102 CarbonylContact O-C 3.58Å; E99-Q102 PolarHBondContact O-N 3.49Å; Q102-E105 PolarHBondContact O-N 3.04Å; Q102-S106 WeakPolarHBondContact O-CB 3.41Å; Q102-S106 PolarHBondContact O-N 3.38Å; Q102-S106 PolarHBondContact O-OG 3.12Å |
| 103 | E | 61.8 | Low | 59.2 | Low | 111 Ų | 111 | 102.5 Ų | 102.5 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.6 | -40.9 | 169.7 | -74.7 | -174 | 178.6 | 0 | 0 | 110.8 | E99 M100 E105 S106 V107 | E99-E103 WeakPolarHBondContact O-CB 3.34Å; E99-E103 WeakPolarHBondContact O-CG 3.43Å; E99-E103 PolarHBondContact O-N 3.46Å; M100-E103 PolarHBondContact O-N 3.22Å; E103-E105 VanDerWaalsContact C-N 3.35Å; E103-E105 PolarHBondContact O-N 2.79Å; E103-S106 WeakPolarHBondContact CA-OG 3.31Å; E103-S106 PolarHBondContact O-N 3.09Å; E103-S106 PolarHBondContact O-OG 2.97Å; E103-V107 WeakPolarHBondContact O-CG2 3.28Å; E103-V107 PolarHBondContact O-N 3.48Å |
| 104 | H | 53.6 | Low | 56.8 | Low | 141 Ų | 141 | 104.1 Ų | 104.1 | 65% | 0.653 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.6 | -37.2 | 173.2 | -121.5 | -76.1 | 0 | 0 | 0 | 112.4 | M100 S101 S108 | M100-H104 WeakPolarHBondContact O-CB 3.28Å; M100-H104 PolarHBondContact O-N 3.05Å; S101-H104 PolarHBondContact O-N 3.03Å; H104-S108 WeakPolarHBondContact O-CB 3.44Å; H104-S108 PolarHBondContact O-N 3.46Å |
| 105 | E | 49.6 | Very low | 54.6 | Low | 135 Ų | 135 | 106.7 Ų | 106.7 | 63% | 0.631 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.9 | -35 | 173.3 | -83 | -169 | 158 | 0 | 0 | 112.5 | S101 Q102 E103 S108 S109 | S101-E105 PolarHBondContact O-N 2.91Å; Q102-E105 PolarHBondContact O-N 3.04Å; E103-E105 VanDerWaalsContact C-N 3.35Å; E103-E105 PolarHBondContact O-N 2.79Å; E105-S108 PolarHBondContact O-N 3.01Å; E105-S109 VanDerWaalsContact O-CB 3.23Å; E105-S109 WeakPolarHBondContact O-CB 3.19Å; E105-S109 PolarHBondContact O-N 3.33Å; E105-S109 PolarHBondContact O-OG 3.16Å |
| 106 | S | 49 | Very low | 52.3 | Low | 60 Ų | 60 | 107.9 Ų | 107.9 | 42% | 0.42 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -74.6 | -32.2 | 176.8 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | Q102 E103 N110 | Q102-S106 WeakPolarHBondContact O-CB 3.41Å; Q102-S106 PolarHBondContact O-N 3.38Å; Q102-S106 PolarHBondContact O-OG 3.12Å; E103-S106 WeakPolarHBondContact CA-OG 3.31Å; E103-S106 PolarHBondContact O-N 3.09Å; E103-S106 PolarHBondContact O-OG 2.97Å; S106-N110 PolarHBondContact O-N 3.4Å |
| 107 | V | 48.2 | Very low | 49.9 | Very low | 98 Ų | 98 | 106.9 Ų | 106.9 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.2 | -35.3 | 169 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | E103 N110 | E103-V107 WeakPolarHBondContact O-CG2 3.28Å; E103-V107 PolarHBondContact O-N 3.48Å; V107-N110 PolarHBondContact O-N 3.29Å |
| 108 | S | 44.9 | Very low | 48 | Very low | 74 Ų | 74 | 112.3 Ų | 112.3 | 52% | 0.517 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68.3 | -37 | 173.6 | -156.8 | 0 | 0 | 0 | 0 | 111.8 | H104 E105 N110 T111 A112 | H104-S108 WeakPolarHBondContact O-CB 3.44Å; H104-S108 PolarHBondContact O-N 3.46Å; E105-S108 PolarHBondContact O-N 3.01Å; S108-N110 PolarHBondContact O-N 2.87Å; S108-T111 PolarHBondContact O-N 3.2Å; S108-T111 VanDerWaalsContact O-N 3.1Å; S108-T111 PolarHBondContact O-OG1 3.49Å; S108-A112 PolarHBondContact O-N 3.01Å |
| 109 | S | 43.1 | Very low | 45.9 | Very low | 80 Ų | 80 | 112.2 Ų | 112.2 | 56% | 0.559 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.4 | -27 | 176.2 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | E105 T111 | E105-S109 VanDerWaalsContact O-CB 3.23Å; E105-S109 WeakPolarHBondContact O-CB 3.19Å; E105-S109 PolarHBondContact O-N 3.33Å; E105-S109 PolarHBondContact O-OG 3.16Å; S109-T111 VanDerWaalsContact C-N 3.34Å |
| 110 | N | 39.5 | Very low | 43.9 | Very low | 140 Ų | 140 | 112.5 Ų | 112.5 | 75% | 0.749 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -5.4 | 175.3 | -76 | -18.4 | 0 | 0 | 0 | 114.5 | S106 V107 S108 | S106-N110 PolarHBondContact O-N 3.4Å; V107-N110 PolarHBondContact O-N 3.29Å; S108-N110 PolarHBondContact O-N 2.87Å |
| 111 | T | 39 | Very low | 42 | Very low | 89 Ų | 89 | 114.6 Ų | 114.6 | 55% | 0.546 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.5 | -10.2 | 174.6 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | S108 S109 S113 | S108-T111 PolarHBondContact O-N 3.2Å; S108-T111 VanDerWaalsContact O-N 3.1Å; S108-T111 PolarHBondContact O-OG1 3.49Å; S109-T111 VanDerWaalsContact C-N 3.34Å; T111-S113 VanDerWaalsContact C-N 3.31Å; T111-S113 PolarHBondContact O-N 3.28Å |
| 112 | A | 37.5 | Very low | 40.1 | Very low | 83 Ų | 83 | 121.8 Ų | 121.8 | 69% | 0.686 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -11.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S108 | S108-A112 PolarHBondContact O-N 3.01Š|
| 113 | S | 34 | Very low | 38.4 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 4.1 | -176.7 | -153.9 | 0 | 0 | 0 | 0 | 115.6 | T111 | T111-S113 VanDerWaalsContact C-N 3.31Å; T111-S113 PolarHBondContact O-N 3.28Å |
| 114 | L | 32.8 | Very low | 36.7 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -130.9 | 46.8 | 173.4 | -76 | 170.5 | 0 | 0 | 0 | 112 | ||
| 115 | C | 31.6 | Very low | 35.9 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | -133.8 | 35.3 | 171.3 | -54 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 116 | N | 29.9 | Very low | 34.9 | Very low | 168 Ų | 168 | 129 Ų | 129 | 90% | 0.898 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -112.7 | 110.7 | 168.9 | -130.2 | 27.2 | 0 | 0 | 0 | 108.7 | ||
| 117 | G | 29 | Very low | 33.9 | Very low | 58 Ų | 58 | 129.3 Ų | 129.3 | 60% | 0.598 | 75% | 0.748 | S | S | * | * | trans | 99.9 | 57.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 118 | Y | 33.7 | Very low | 33.2 | Very low | 239 Ų | 239 | 132.5 Ų | 132.5 | 94% | 0.937 | 76% | 0.756 | S | S | * | * | trans | -136.6 | 51.7 | 148.9 | -62.2 | -73.1 | 0 | 0 | 0 | 111.9 | S120 | Y118-S120 VanDerWaalsContact C-N 3.3Å; Y118-S120 PolarHBondContact O-N 2.88Å | ||
| 119 | A | 33 | Very low | 32.5 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | trans | -88.7 | 69.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 120 | S | 31 | Very low | 32 | Very low | 118 Ų | 118 | 140 Ų | 140 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -98.4 | 107 | 164.5 | -118 | 0 | 0 | 0 | 0 | 109.1 | Y118 | Y118-S120 VanDerWaalsContact C-N 3.3Å; Y118-S120 PolarHBondContact O-N 2.88Å | ||
| 121 | H | 29 | Very low | 31.6 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -55.7 | 132.1 | 169.2 | -98.1 | -63.5 | 0 | 0 | 0 | 111.8 | ||||
| 122 | R | 27.1 | Very low | 31.2 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | 52.8 | 109.7 | 140.2 | -57.7 | -177.7 | -153.9 | -133.6 | 3.8 | 117.6 | ||||
| 123 | K | 29.1 | Very low | 31 | Very low | 211 Ų | 211 | 148.6 Ų | 148.6 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | -165.8 | 100 | 120.1 | -99.4 | 168.1 | -170.8 | -173.6 | 0 | 109.8 | |||||
| 124 | L | 26.8 | Very low | 31.1 | Very low | 165 Ų | 165 | 154.6 Ų | 154.6 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -63.9 | 160.4 | 140.8 | -78.1 | 145.8 | 0 | 0 | 0 | 107.9 | ||||
| 125 | P | 35.6 | Very low | 31.7 | Very low | 106 Ų | 106 | 157.8 Ų | 157.8 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | cis | -143.7 | 175.6 | 23.6 | 40.3 | -19.9 | 0 | 0 | 0 | 117.2 | ||||
| 126 | D | 29.4 | Very low | 32.2 | Very low | 162 Ų | 162 | 160.4 Ų | 160.4 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | 58.4 | 113.1 | 145.5 | -71.4 | -17.1 | 0 | 0 | 0 | 121.6 | ||||
| 127 | G | 28.6 | Very low | 33.1 | Very low | 67 Ų | 67 | 154.1 Ų | 154.1 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 171.6 | 83 | 156.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 128 | Q | 32.8 | Very low | 34.5 | Very low | 165 Ų | 165 | 154.7 Ų | 154.7 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | trans | 85.1 | 121 | 142.7 | -54.7 | 178.2 | -45.8 | 0 | 0 | 119.3 | ||||
| 129 | Q | 31.1 | Very low | 35.6 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 69.9 | 136.4 | 137 | -71.4 | 164.1 | -10.5 | 0 | 0 | 116.1 | ||||
| 130 | Q | 32.2 | Very low | 36.9 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | cis | -171.1 | 113.6 | 7.8 | -146.1 | 148.5 | -15.1 | 0 | 0 | 102.6 | ||||
| 131 | Q | 29.7 | Very low | 38.6 | Very low | 174 Ų | 174 | 151.7 Ų | 151.7 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | 57.9 | 82.6 | 107.3 | -156.7 | 174.4 | 36.5 | 0 | 0 | 115.4 | |||||
| 132 | Q | 32.1 | Very low | 40.5 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | trans | 159.7 | 123.8 | 156.7 | -95.2 | 167 | -12.8 | 0 | 0 | 104.9 | ||||
| 133 | D | 33.6 | Very low | 42.6 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | cis | -149.8 | 128.1 | 35.2 | -82.6 | -50.8 | 0 | 0 | 0 | 111 | R135 | D133-R135 PolarHBondContact O-N 3.38Š| ||
| 134 | Y | 35.9 | Very low | 45 | Very low | 233 Ų | 233 | 135.7 Ų | 135.7 | 91% | 0.914 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 96 | 163.9 | -74.4 | -94.6 | 0 | 0 | 0 | 108.5 | ||
| 135 | R | 44.3 | Very low | 47.4 | Very low | 232 Ų | 232 | 132.2 Ų | 132.2 | 88% | 0.875 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165 | -17.3 | 155.8 | -106.5 | 156.4 | -164.6 | -156.1 | 4.3 | 115.9 | D133 | D133-R135 PolarHBondContact O-N 3.38Š|
| 136 | E | 42.1 | Very low | 49.4 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 78% | 0.776 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -19.4 | -179.4 | -70.5 | -179.5 | 162.4 | 0 | 0 | 114.4 | S138 A139 E140 | E136-S138 PolarHBondContact O-N 3.45Å; E136-S138 VanDerWaalsContact O-N 3.14Å; E136-A139 PolarHBondContact O-N 3.33Å; E136-E140 PolarHBondContact O-N 3.28Å |
| 137 | G | 50.1 | Low | 51.7 | Low | 36 Ų | 36 | 129.8 Ų | 129.8 | 37% | 0.371 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.2 | -11.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R141 | G137-R141 VanDerWaalsContact O-CB 3.31Å; G137-R141 WeakPolarHBondContact O-CB 3.27Å; G137-R141 WeakPolarHBondContact O-CD 3.43Å; G137-R141 WeakPolarHBondContact O-CG 3.32Å; G137-R141 PolarHBondContact O-N 3.44Å |
| 138 | S | 56.5 | Low | 54.4 | Low | 70 Ų | 70 | 129.1 Ų | 129.1 | 49% | 0.49 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -76.7 | -52.6 | 173.2 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | E136 E140 R141 H142 | E136-S138 PolarHBondContact O-N 3.45Å; E136-S138 VanDerWaalsContact O-N 3.14Å; S138-E140 VanDerWaalsContact C-N 3.26Å; S138-E140 PolarHBondContact O-N 2.98Å; S138-R141 PolarHBondContact O-N 3.18Å; S138-H142 PolarHBondContact O-N 2.72Å; S138-H142 PolarHBondContact O-ND1 3.02Å; S138-H142 PolarHBondContact OG-CE1 2.59Å; S138-H142 PolarHBondContact OG-ND1 3.18Å |
| 139 | A | 57.4 | Low | 57.1 | Low | 71 Ų | 71 | 126.5 Ų | 126.5 | 59% | 0.587 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -60.3 | -39.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E136 H142 A143 | E136-A139 PolarHBondContact O-N 3.33Å; A139-H142 PolarHBondContact O-N 2.92Å; A139-A143 VanDerWaalsContact O-CB 3.29Å; A139-A143 WeakPolarHBondContact O-CB 3.42Å; A139-A143 PolarHBondContact O-N 3.4Å |
| 140 | E | 60.8 | Low | 59.4 | Low | 140 Ų | 140 | 122.6 Ų | 122.6 | 65% | 0.654 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.9 | -38.6 | 178.3 | -144.9 | 168.4 | -155.5 | 0 | 0 | 112.4 | E136 S138 V144 | E136-E140 PolarHBondContact O-N 3.28Å; S138-E140 VanDerWaalsContact C-N 3.26Å; S138-E140 PolarHBondContact O-N 2.98Å; E140-V144 WeakPolarHBondContact O-CB 3.41Å; E140-V144 WeakPolarHBondContact O-CG2 3.18Å; E140-V144 PolarHBondContact O-N 2.96Å |
| 141 | R | 66.8 | Low | 62.1 | Low | 188 Ų | 188 | 120.7 Ų | 120.7 | 71% | 0.709 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.5 | -40.2 | 171.9 | -74.9 | 175.8 | -163.5 | -166.9 | 5.5 | 112.4 | G137 S138 V144 I145 | G137-R141 VanDerWaalsContact O-CB 3.31Å; G137-R141 WeakPolarHBondContact O-CB 3.27Å; G137-R141 WeakPolarHBondContact O-CD 3.43Å; G137-R141 WeakPolarHBondContact O-CG 3.32Å; G137-R141 PolarHBondContact O-N 3.44Å; S138-R141 PolarHBondContact O-N 3.18Å; R141-V144 PolarHBondContact O-N 2.88Å; R141-I145 WeakPolarHBondContact O-CB 3.36Å; R141-I145 WeakPolarHBondContact O-CD1 3.28Å; R141-I145 WeakPolarHBondContact O-CG1 3.47Å; R141-I145 PolarHBondContact O-N 3.47Å |
| 142 | H | 68.4 | Low | 65 | Low | 106 Ų | 106 | 114.2 Ų | 114.2 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.2 | -46 | 175.6 | -72.6 | 82.1 | 0 | 0 | 0 | 110.5 | S138 A139 V144 I145 E146 | S138-H142 PolarHBondContact O-N 2.72Å; S138-H142 PolarHBondContact O-ND1 3.02Å; S138-H142 PolarHBondContact OG-CE1 2.59Å; S138-H142 PolarHBondContact OG-ND1 3.18Å; A139-H142 PolarHBondContact O-N 2.92Å; H142-V144 VanDerWaalsContact C-N 3.3Å; H142-V144 PolarHBondContact O-N 3.3Å; H142-I145 CarbonylContact O-C 3.6Å; H142-I145 PolarHBondContact O-N 2.93Å; H142-I145 VanDerWaalsContact O-N 3.11Å; H142-E146 WeakPolarHBondContact O-CB 3.36Å; H142-E146 WeakPolarHBondContact O-CG 3.48Å; H142-E146 PolarHBondContact O-N 3.36Å |
| 143 | A | 71.3 | Confident | 67.8 | Low | 45 Ų | 45 | 110.5 Ų | 110.5 | 37% | 0.372 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.8 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A139 L147 | A139-A143 VanDerWaalsContact O-CB 3.29Å; A139-A143 WeakPolarHBondContact O-CB 3.42Å; A139-A143 PolarHBondContact O-N 3.4Å; A143-L147 VanDerWaalsContact O-CB 3.25Å; A143-L147 WeakPolarHBondContact O-CB 3.09Å; A143-L147 PolarHBondContact O-N 2.87Å |
| 144 | V | 79.4 | Confident | 70.6 | Confident | 94 Ų | 94 | 108.1 Ų | 108.1 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.3 | -39.3 | 174.6 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | E140 R141 H142 A148 | E140-V144 WeakPolarHBondContact O-CB 3.41Å; E140-V144 WeakPolarHBondContact O-CG2 3.18Å; E140-V144 PolarHBondContact O-N 2.96Å; R141-V144 PolarHBondContact O-N 2.88Å; H142-V144 VanDerWaalsContact C-N 3.3Å; H142-V144 PolarHBondContact O-N 3.3Å; V144-A148 VanDerWaalsContact O-CB 3.23Å; V144-A148 WeakPolarHBondContact O-CB 3.3Å; V144-A148 PolarHBondContact O-N 2.78Å |
| 145 | I | 78.4 | Confident | 73.2 | Confident | 92 Ų | 92 | 104.8 Ų | 104.8 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.2 | -46 | 175.8 | -69.3 | 162.8 | 0 | 0 | 0 | 110.4 | R141 H142 A148 E149 | R141-I145 WeakPolarHBondContact O-CB 3.36Å; R141-I145 WeakPolarHBondContact O-CD1 3.28Å; R141-I145 WeakPolarHBondContact O-CG1 3.47Å; R141-I145 PolarHBondContact O-N 3.47Å; H142-I145 CarbonylContact O-C 3.6Å; H142-I145 PolarHBondContact O-N 2.93Å; H142-I145 VanDerWaalsContact O-N 3.11Å; I145-A148 CarbonylContact O-C 3.6Å; I145-A148 WeakPolarHBondContact O-CA 3.31Å; I145-A148 WeakPolarHBondContact O-CB 3.26Å; I145-A148 PolarHBondContact O-N 2.82Å; I145-A148 VanDerWaalsContact O-N 3.08Å; I145-E149 HydrophobicContact CG2-CG 4.42Å; I145-E149 WeakPolarHBondContact O-CB 3.21Å; I145-E149 WeakPolarHBondContact O-CG 3.2Å; I145-E149 PolarHBondContact O-N 3.24Å |
| 146 | E | 77.6 | Confident | 75.6 | Confident | 119 Ų | 119 | 100.4 Ų | 100.4 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 175 | -72.5 | 176.3 | -174.8 | 0 | 0 | 111.2 | H142 A148 E149 C150 | H142-E146 WeakPolarHBondContact O-CB 3.36Å; H142-E146 WeakPolarHBondContact O-CG 3.48Å; H142-E146 PolarHBondContact O-N 3.36Å; E146-A148 VanDerWaalsContact C-N 3.28Å; E146-A148 PolarHBondContact O-N 3.13Å; E146-E149 PolarHBondContact O-N 3.04Å; E146-C150 VanDerWaalsContact O-CB 3.29Å; E146-C150 WeakPolarHBondContact O-CB 3.25Å; E146-C150 PolarHBondContact O-N 3.37Å; E146-C150 PolarHBondContact O-SG 3.31Å |
| 147 | L | 76 | Confident | 77.9 | Confident | 97 Ų | 97 | 95.4 Ų | 95.4 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 171.6 | -109.1 | 149.6 | 0 | 0 | 0 | 111.9 | A143 K151 | A143-L147 VanDerWaalsContact O-CB 3.25Å; A143-L147 WeakPolarHBondContact O-CB 3.09Å; A143-L147 PolarHBondContact O-N 2.87Å; L147-K151 VanDerWaalsContact O-CB 3.24Å; L147-K151 WeakPolarHBondContact O-CB 3.22Å; L147-K151 WeakPolarHBondContact O-CG 3.24Å; L147-K151 PolarHBondContact O-N 3.12Å |
| 148 | A | 86.9 | Confident | 80 | Confident | 54 Ų | 54 | 100.9 Ų | 100.9 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.8 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V144 I145 E146 K151 A152 | V144-A148 VanDerWaalsContact O-CB 3.23Å; V144-A148 WeakPolarHBondContact O-CB 3.3Å; V144-A148 PolarHBondContact O-N 2.78Å; I145-A148 CarbonylContact O-C 3.6Å; I145-A148 WeakPolarHBondContact O-CA 3.31Å; I145-A148 WeakPolarHBondContact O-CB 3.26Å; I145-A148 PolarHBondContact O-N 2.82Å; I145-A148 VanDerWaalsContact O-N 3.08Å; E146-A148 VanDerWaalsContact C-N 3.28Å; E146-A148 PolarHBondContact O-N 3.13Å; A148-K151 CarbonylContact O-C 3.6Å; A148-K151 PolarHBondContact O-N 3.03Å; A148-A152 VanDerWaalsContact O-CB 3.26Å; A148-A152 WeakPolarHBondContact O-CB 3.32Å; A148-A152 PolarHBondContact O-N 2.98Å |
| 149 | E | 88.1 | Confident | 81.8 | Confident | 110 Ų | 110 | 102.6 Ų | 102.6 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 174.6 | -78.1 | -175.3 | 174.3 | 0 | 0 | 111.5 | I145 E146 K151 A152 Q153 | I145-E149 HydrophobicContact CG2-CG 4.42Å; I145-E149 WeakPolarHBondContact O-CB 3.21Å; I145-E149 WeakPolarHBondContact O-CG 3.2Å; I145-E149 PolarHBondContact O-N 3.24Å; E146-E149 PolarHBondContact O-N 3.04Å; E149-K151 VanDerWaalsContact C-N 3.35Å; E149-K151 PolarHBondContact O-N 3.46Å; E149-A152 CarbonylContact O-C 3.42Å; E149-A152 WeakPolarHBondContact O-CB 3.32Å; E149-A152 PolarHBondContact O-N 3.26Å; E149-A152 VanDerWaalsContact O-N 3.1Å; E149-Q153 WeakPolarHBondContact O-CB 3.46Å; E149-Q153 WeakPolarHBondContact O-CG 3.37Å; E149-Q153 PolarHBondContact O-N 2.95Å |
| 150 | C | 79.4 | Confident | 83.5 | Confident | 77 Ų | 77 | 103.9 Ų | 103.9 | 52% | 0.52 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 172.6 | -74.3 | 0 | 0 | 0 | 0 | 111.1 | E146 A152 Q153 L154 | E146-C150 VanDerWaalsContact O-CB 3.29Å; E146-C150 WeakPolarHBondContact O-CB 3.25Å; E146-C150 PolarHBondContact O-N 3.37Å; E146-C150 PolarHBondContact O-SG 3.31Å; C150-A152 VanDerWaalsContact C-N 3.32Å; C150-A152 PolarHBondContact O-N 2.91Å; C150-Q153 PolarHBondContact O-N 3.44Å; C150-L154 VanDerWaalsContact O-CB 3.27Å; C150-L154 WeakPolarHBondContact O-CB 3.18Å; C150-L154 PolarHBondContact O-N 3.48Å |
| 151 | K | 89 | Confident | 85 | Confident | 111 Ų | 111 | 101.9 Ų | 101.9 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -32.7 | 173.8 | -76.9 | 173.8 | -179.3 | 175.4 | 0 | 112.4 | L147 A148 E149 R155 | L147-K151 VanDerWaalsContact O-CB 3.24Å; L147-K151 WeakPolarHBondContact O-CB 3.22Å; L147-K151 WeakPolarHBondContact O-CG 3.24Å; L147-K151 PolarHBondContact O-N 3.12Å; A148-K151 CarbonylContact O-C 3.6Å; A148-K151 PolarHBondContact O-N 3.03Å; E149-K151 VanDerWaalsContact C-N 3.35Å; E149-K151 PolarHBondContact O-N 3.46Å; K151-R155 VanDerWaalsContact O-CG 3.31Å; K151-R155 WeakPolarHBondContact O-CG 3.38Å; K151-R155 PolarHBondContact O-N 3.06Å; K151-R155 PolarHBondContact O-NH1 3.49Å |
| 152 | A | 90.3 | Very high | 86.4 | Confident | 38 Ų | 38 | 98.3 Ų | 98.3 | 31% | 0.314 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.7 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A148 E149 C150 R155 R156 | A148-A152 VanDerWaalsContact O-CB 3.26Å; A148-A152 WeakPolarHBondContact O-CB 3.32Å; A148-A152 PolarHBondContact O-N 2.98Å; E149-A152 CarbonylContact O-C 3.42Å; E149-A152 WeakPolarHBondContact O-CB 3.32Å; E149-A152 PolarHBondContact O-N 3.26Å; E149-A152 VanDerWaalsContact O-N 3.1Å; C150-A152 VanDerWaalsContact C-N 3.32Å; C150-A152 PolarHBondContact O-N 2.91Å; A152-R155 PolarHBondContact O-N 3.42Å; A152-R156 WeakPolarHBondContact O-CG 3.43Å; A152-R156 PolarHBondContact O-N 3.44Å |
| 153 | Q | 91.9 | Very high | 87.7 | Confident | 100 Ų | 100 | 97.7 Ų | 97.7 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 170.6 | -76 | 171.9 | -1.7 | 0 | 0 | 111 | E149 C150 R155 R156 S157 | E149-Q153 WeakPolarHBondContact O-CB 3.46Å; E149-Q153 WeakPolarHBondContact O-CG 3.37Å; E149-Q153 PolarHBondContact O-N 2.95Å; C150-Q153 PolarHBondContact O-N 3.44Å; Q153-R155 VanDerWaalsContact C-N 3.31Å; Q153-R155 PolarHBondContact O-N 2.91Å; Q153-R156 PolarHBondContact O-N 3.47Å; Q153-R156 VanDerWaalsContact O-N 3.11Å; Q153-S157 PolarHBondContact O-N 3.03Å; Q153-S157 PolarHBondContact O-OG 3.4Å |
| 154 | L | 91.2 | Very high | 88.7 | Confident | 91 Ų | 91 | 101.8 Ų | 101.8 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 175.2 | -173.5 | 66.2 | 0 | 0 | 0 | 112 | C150 R158 | C150-L154 VanDerWaalsContact O-CB 3.27Å; C150-L154 WeakPolarHBondContact O-CB 3.18Å; C150-L154 PolarHBondContact O-N 3.48Å; L154-R158 WeakPolarHBondContact O-CB 3.45Å; L154-R158 WeakPolarHBondContact O-CG 3.38Å; L154-R158 PolarHBondContact O-N 3.4Å |
| 155 | R | 91.9 | Very high | 89.4 | Confident | 164 Ų | 164 | 99.7 Ų | 99.7 | 62% | 0.619 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 172.9 | -75.3 | -178.7 | -168.1 | 98.8 | -6.3 | 112.2 | K151 A152 Q153 R158 Q159 | K151-R155 VanDerWaalsContact O-CG 3.31Å; K151-R155 WeakPolarHBondContact O-CG 3.38Å; K151-R155 PolarHBondContact O-N 3.06Å; K151-R155 PolarHBondContact O-NH1 3.49Å; A152-R155 PolarHBondContact O-N 3.42Å; Q153-R155 VanDerWaalsContact C-N 3.31Å; Q153-R155 PolarHBondContact O-N 2.91Å; R155-R158 PolarHBondContact O-N 2.9Å; R155-Q159 WeakPolarHBondContact O-CB 3.38Å; R155-Q159 PolarHBondContact O-N 3.11Å |
| 156 | R | 93.5 | Very high | 90.3 | Very high | 139 Ų | 139 | 101.2 Ų | 101.2 | 53% | 0.525 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 176.2 | -76.4 | -173.4 | -70.4 | -152.1 | -2.4 | 112.1 | A152 Q153 R158 Q159 E160 | A152-R156 WeakPolarHBondContact O-CG 3.43Å; A152-R156 PolarHBondContact O-N 3.44Å; Q153-R156 PolarHBondContact O-N 3.47Å; Q153-R156 VanDerWaalsContact O-N 3.11Å; R156-R158 VanDerWaalsContact C-N 3.3Å; R156-R158 PolarHBondContact O-N 3.18Å; R156-Q159 CarbonylContact O-C 3.6Å; R156-Q159 WeakPolarHBondContact O-CB 3.46Å; R156-Q159 PolarHBondContact O-N 2.85Å; R156-Q159 VanDerWaalsContact O-N 3.17Å; R156-E160 WeakPolarHBondContact O-CG 3.4Å; R156-E160 PolarHBondContact O-N 2.91Å |
| 157 | S | 90.6 | Very high | 91.1 | Very high | 61 Ų | 61 | 99.7 Ų | 99.7 | 43% | 0.427 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -35.5 | 177.1 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | Q153 E160 V161 | Q153-S157 PolarHBondContact O-N 3.03Å; Q153-S157 PolarHBondContact O-OG 3.4Å; S157-E160 PolarHBondContact O-N 2.89Å; S157-V161 WeakPolarHBondContact O-CB 3.46Å; S157-V161 WeakPolarHBondContact O-CG2 3.47Å; S157-V161 PolarHBondContact O-N 3.14Å |
| 158 | R | 93.8 | Very high | 92 | Very high | 152 Ų | 152 | 99 Ų | 99 | 57% | 0.574 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.3 | -46.7 | 171.4 | -76.7 | 175.5 | -176.9 | -164.7 | -0.5 | 111.7 | L154 R155 R156 E160 V161 E162 | L154-R158 WeakPolarHBondContact O-CB 3.45Å; L154-R158 WeakPolarHBondContact O-CG 3.38Å; L154-R158 PolarHBondContact O-N 3.4Å; R155-R158 PolarHBondContact O-N 2.9Å; R156-R158 VanDerWaalsContact C-N 3.3Å; R156-R158 PolarHBondContact O-N 3.18Å; R158-E160 PolarHBondContact O-N 3.42Å; R158-V161 PolarHBondContact O-N 3.38Å; R158-E162 WeakPolarHBondContact O-CB 3.12Å; R158-E162 WeakPolarHBondContact O-CG 3.47Å; R158-E162 PolarHBondContact O-N 3.04Å |
| 159 | Q | 95.1 | Very high | 92.3 | Very high | 105 Ų | 105 | 100 Ų | 100 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 175.4 | -174.7 | -175.8 | -15.6 | 0 | 0 | 111.7 | R155 R156 V161 E162 E163 | R155-Q159 WeakPolarHBondContact O-CB 3.38Å; R155-Q159 PolarHBondContact O-N 3.11Å; R156-Q159 CarbonylContact O-C 3.6Å; R156-Q159 WeakPolarHBondContact O-CB 3.46Å; R156-Q159 PolarHBondContact O-N 2.85Å; R156-Q159 VanDerWaalsContact O-N 3.17Å; Q159-V161 VanDerWaalsContact C-N 3.33Å; Q159-V161 PolarHBondContact O-N 3.36Å; Q159-E162 PolarHBondContact O-N 2.91Å; Q159-E163 HydrophobicContact CG-CG 4.47Å; Q159-E163 WeakPolarHBondContact CG-OE1 3.33Å; Q159-E163 PolarHBondContact NE2-OE1 3.41Å; Q159-E163 WeakPolarHBondContact O-CB 3.22Å; Q159-E163 WeakPolarHBondContact O-CG 3.39Å; Q159-E163 PolarHBondContact O-N 2.92Å |
| 160 | E | 94.1 | Very high | 92.7 | Very high | 99 Ų | 99 | 99.4 Ų | 99.4 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -35.5 | 176.1 | -73.8 | 174.7 | -164 | 0 | 0 | 112.6 | R156 S157 R158 K164 | R156-E160 WeakPolarHBondContact O-CG 3.4Å; R156-E160 PolarHBondContact O-N 2.91Å; S157-E160 PolarHBondContact O-N 2.89Å; R158-E160 PolarHBondContact O-N 3.42Å; E160-K164 VanDerWaalsContact O-CB 3.31Å; E160-K164 WeakPolarHBondContact O-CB 3.47Å; E160-K164 WeakPolarHBondContact O-CG 3.24Å; E160-K164 PolarHBondContact O-N 3.31Å |
| 161 | V | 92.2 | Very high | 93.4 | Very high | 97 Ų | 97 | 102.2 Ų | 102.2 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.7 | -41.2 | 174.2 | 168.5 | 0 | 0 | 0 | 0 | 110.6 | S157 R158 Q159 K164 S165 | S157-V161 WeakPolarHBondContact O-CB 3.46Å; S157-V161 WeakPolarHBondContact O-CG2 3.47Å; S157-V161 PolarHBondContact O-N 3.14Å; R158-V161 PolarHBondContact O-N 3.38Å; Q159-V161 VanDerWaalsContact C-N 3.33Å; Q159-V161 PolarHBondContact O-N 3.36Å; V161-K164 PolarHBondContact O-N 3.36Å; V161-S165 VanDerWaalsContact O-CB 3.3Å; V161-S165 WeakPolarHBondContact O-CB 3.18Å; V161-S165 PolarHBondContact O-N 2.82Å |
| 162 | E | 95 | Very high | 93.7 | Very high | 113 Ų | 113 | 104.4 Ų | 104.4 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -49.8 | 174.5 | -75.6 | 165.4 | -165.9 | 0 | 0 | 110.8 | R158 Q159 K164 S165 E166 | R158-E162 WeakPolarHBondContact O-CB 3.12Å; R158-E162 WeakPolarHBondContact O-CG 3.47Å; R158-E162 PolarHBondContact O-N 3.04Å; Q159-E162 PolarHBondContact O-N 2.91Å; E162-K164 PolarHBondContact O-N 3.48Å; E162-S165 WeakPolarHBondContact CA-OG 2.97Å; E162-S165 CarbonylContact O-C 3.55Å; E162-S165 WeakPolarHBondContact O-CA 3.45Å; E162-S165 WeakPolarHBondContact O-CB 3.19Å; E162-S165 PolarHBondContact O-N 3.03Å; E162-S165 PolarHBondContact O-OG 2.77Å; E162-E166 WeakPolarHBondContact O-CG 3.26Å; E162-E166 PolarHBondContact O-N 3.37Å |
| 163 | E | 95.3 | Very high | 94 | Very high | 93 Ų | 93 | 107.6 Ų | 107.6 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.3 | -44 | 175.6 | -73.1 | 171.9 | -170.5 | 0 | 0 | 112 | Q159 S165 E166 M167 | Q159-E163 HydrophobicContact CG-CG 4.47Å; Q159-E163 WeakPolarHBondContact CG-OE1 3.33Å; Q159-E163 PolarHBondContact NE2-OE1 3.41Å; Q159-E163 WeakPolarHBondContact O-CB 3.22Å; Q159-E163 WeakPolarHBondContact O-CG 3.39Å; Q159-E163 PolarHBondContact O-N 2.92Å; E163-S165 VanDerWaalsContact C-N 3.31Å; E163-S165 PolarHBondContact O-N 2.86Å; E163-E166 PolarHBondContact O-N 2.8Å; E163-M167 VanDerWaalsContact O-CG 3.31Å; E163-M167 WeakPolarHBondContact O-CG 3.38Å; E163-M167 PolarHBondContact O-N 3.46Å |
| 164 | K | 93.4 | Very high | 94.2 | Very high | 131 Ų | 131 | 106.6 Ų | 106.6 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.1 | -36.9 | 174.1 | -75.9 | 171.9 | -176.3 | 167.9 | 0 | 111.8 | E160 V161 E162 M167 I168 | E160-K164 VanDerWaalsContact O-CB 3.31Å; E160-K164 WeakPolarHBondContact O-CB 3.47Å; E160-K164 WeakPolarHBondContact O-CG 3.24Å; E160-K164 PolarHBondContact O-N 3.31Å; V161-K164 PolarHBondContact O-N 3.36Å; E162-K164 PolarHBondContact O-N 3.48Å; K164-M167 PolarHBondContact O-N 2.97Å; K164-I168 WeakPolarHBondContact O-CB 3.39Å; K164-I168 WeakPolarHBondContact O-CD1 3.32Å; K164-I168 WeakPolarHBondContact O-CG1 3.29Å; K164-I168 PolarHBondContact O-N 3.41Å |
| 165 | S | 94.2 | Very high | 94.3 | Very high | 51 Ų | 51 | 107.1 Ų | 107.1 | 36% | 0.357 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | 177 | 79.2 | 0 | 0 | 0 | 0 | 111.9 | V161 E162 E163 I168 N169 | V161-S165 VanDerWaalsContact O-CB 3.3Å; V161-S165 WeakPolarHBondContact O-CB 3.18Å; V161-S165 PolarHBondContact O-N 2.82Å; E162-S165 WeakPolarHBondContact CA-OG 2.97Å; E162-S165 CarbonylContact O-C 3.55Å; E162-S165 WeakPolarHBondContact O-CA 3.45Å; E162-S165 WeakPolarHBondContact O-CB 3.19Å; E162-S165 PolarHBondContact O-N 3.03Å; E162-S165 PolarHBondContact O-OG 2.77Å; E163-S165 VanDerWaalsContact C-N 3.31Å; E163-S165 PolarHBondContact O-N 2.86Å; S165-I168 PolarHBondContact O-N 3.41Å; S165-N169 VanDerWaalsContact O-CG 3.24Å; S165-N169 PolarHBondContact O-N 3.16Å; S165-N169 PolarHBondContact O-ND2 2.8Å |
| 166 | E | 96.3 | Very high | 94.5 | Very high | 124 Ų | 124 | 102 Ų | 102 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.7 | -45.8 | 173.1 | -71 | 177.2 | -178.1 | 0 | 0 | 111.1 | E162 E163 I168 N169 L170 | E162-E166 WeakPolarHBondContact O-CG 3.26Å; E162-E166 PolarHBondContact O-N 3.37Å; E163-E166 PolarHBondContact O-N 2.8Å; E166-I168 VanDerWaalsContact C-N 3.34Å; E166-I168 PolarHBondContact O-N 2.82Å; E166-N169 PolarHBondContact O-N 2.82Å; E166-N169 VanDerWaalsContact O-N 3.13Å; E166-L170 WeakPolarHBondContact O-CG 3.33Å; E166-L170 PolarHBondContact O-N 2.82Å |
| 167 | M | 95.4 | Very high | 94.6 | Very high | 86 Ų | 86 | 100.4 Ų | 100.4 | 42% | 0.424 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 174.9 | -72 | -56.8 | -53 | 0 | 0 | 112.5 | E163 K164 N169 L170 Y171 | E163-M167 VanDerWaalsContact O-CG 3.31Å; E163-M167 WeakPolarHBondContact O-CG 3.38Å; E163-M167 PolarHBondContact O-N 3.46Å; K164-M167 PolarHBondContact O-N 2.97Å; M167-N169 VanDerWaalsContact C-N 3.31Å; M167-N169 PolarHBondContact O-N 3.03Å; M167-L170 PolarHBondContact O-N 2.77Å; M167-L170 HydrophobicContact SD-CD1 4.12Å; M167-Y171 HydrophobicContact CB-CE2 4.46Å; M167-Y171 HydrophobicContact CE-CE2 3.92Å; M167-Y171 WeakPolarHBondContact O-CD2 3.32Å; M167-Y171 PolarHBondContact O-N 2.81Å |
| 168 | I | 93.5 | Very high | 94.8 | Very high | 84 Ų | 84 | 104.4 Ų | 104.4 | 43% | 0.431 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 174.9 | -72.8 | 164.9 | 0 | 0 | 0 | 110.9 | K164 S165 E166 Y171 R172 | K164-I168 WeakPolarHBondContact O-CB 3.39Å; K164-I168 WeakPolarHBondContact O-CD1 3.32Å; K164-I168 WeakPolarHBondContact O-CG1 3.29Å; K164-I168 PolarHBondContact O-N 3.41Å; S165-I168 PolarHBondContact O-N 3.41Å; E166-I168 VanDerWaalsContact C-N 3.34Å; E166-I168 PolarHBondContact O-N 2.82Å; I168-Y171 PolarHBondContact O-N 2.86Å; I168-R172 VanDerWaalsContact O-CG 3.29Å; I168-R172 WeakPolarHBondContact O-CG 3.44Å; I168-R172 PolarHBondContact O-N 3.06Å |
| 169 | N | 94.4 | Very high | 94.9 | Very high | 75 Ų | 75 | 101.6 Ų | 101.6 | 40% | 0.401 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 177.1 | -68.7 | -28.3 | 0 | 0 | 0 | 111.8 | S165 E166 M167 Y171 R172 D173 | S165-N169 VanDerWaalsContact O-CG 3.24Å; S165-N169 PolarHBondContact O-N 3.16Å; S165-N169 PolarHBondContact O-ND2 2.8Å; E166-N169 PolarHBondContact O-N 2.82Å; E166-N169 VanDerWaalsContact O-N 3.13Å; M167-N169 VanDerWaalsContact C-N 3.31Å; M167-N169 PolarHBondContact O-N 3.03Å; N169-Y171 VanDerWaalsContact C-N 3.34Å; N169-Y171 PolarHBondContact O-N 3.41Å; N169-R172 WeakPolarHBondContact O-CB 3.33Å; N169-R172 PolarHBondContact O-N 3.49Å; N169-R172 VanDerWaalsContact O-N 3.1Å; N169-R172 PolarHBondContact OD1-NH1 3.36Å; N169-D173 PolarHBondContact O-N 3.34Å |
| 170 | L | 96.5 | Very high | 95 | Very high | 96 Ų | 96 | 99 Ų | 99 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 173.1 | -69.7 | 174 | 0 | 0 | 0 | 111.8 | E166 M167 R172 D173 D174 | E166-L170 WeakPolarHBondContact O-CG 3.33Å; E166-L170 PolarHBondContact O-N 2.82Å; M167-L170 PolarHBondContact O-N 2.77Å; M167-L170 HydrophobicContact SD-CD1 4.12Å; L170-R172 VanDerWaalsContact C-N 3.32Å; L170-R172 PolarHBondContact O-N 2.84Å; L170-D173 PolarHBondContact O-N 2.75Å; L170-D174 WeakPolarHBondContact O-CB 3.2Å; L170-D174 PolarHBondContact O-N 2.77Å |
| 171 | Y | 93.6 | Very high | 95.1 | Very high | 137 Ų | 137 | 96.8 Ų | 96.8 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.3 | -33.3 | 175.5 | -68.6 | -48.7 | 0 | 0 | 0 | 113 | M167 I168 N169 I175 | M167-Y171 HydrophobicContact CB-CE2 4.46Å; M167-Y171 HydrophobicContact CE-CE2 3.92Å; M167-Y171 WeakPolarHBondContact O-CD2 3.32Å; M167-Y171 PolarHBondContact O-N 2.81Å; I168-Y171 PolarHBondContact O-N 2.86Å; N169-Y171 VanDerWaalsContact C-N 3.34Å; N169-Y171 PolarHBondContact O-N 3.41Å; Y171-I175 WeakPolarHBondContact O-CB 3.3Å; Y171-I175 WeakPolarHBondContact O-CD1 3.42Å; Y171-I175 WeakPolarHBondContact O-CG1 3.49Å; Y171-I175 PolarHBondContact O-N 3Å |
| 172 | R | 96.1 | Very high | 95.2 | Very high | 156 Ų | 156 | 96.3 Ų | 96.3 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.2 | -41.7 | 173.3 | -75.8 | 169.8 | 175.3 | 171.4 | -3.2 | 111.4 | I168 N169 L170 I175 A176 | I168-R172 VanDerWaalsContact O-CG 3.29Å; I168-R172 WeakPolarHBondContact O-CG 3.44Å; I168-R172 PolarHBondContact O-N 3.06Å; N169-R172 WeakPolarHBondContact O-CB 3.33Å; N169-R172 PolarHBondContact O-N 3.49Å; N169-R172 VanDerWaalsContact O-N 3.1Å; N169-R172 PolarHBondContact OD1-NH1 3.36Å; L170-R172 VanDerWaalsContact C-N 3.32Å; L170-R172 PolarHBondContact O-N 2.84Å; R172-I175 PolarHBondContact O-N 3.44Å; R172-A176 WeakPolarHBondContact O-CB 3.4Å; R172-A176 PolarHBondContact O-N 3.47Å |
| 173 | D | 96.1 | Very high | 95.2 | Very high | 106 Ų | 106 | 93.5 Ų | 93.5 | 57% | 0.567 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.9 | -43.2 | 176.9 | -68 | -18.3 | 0 | 0 | 0 | 111.3 | N169 L170 I175 A176 E177 | N169-D173 PolarHBondContact O-N 3.34Å; L170-D173 PolarHBondContact O-N 2.75Å; D173-I175 PolarHBondContact O-N 2.72Å; D173-A176 PolarHBondContact O-N 2.76Å; D173-E177 PolarHBondContact O-N 3.38Å |
| 174 | D | 95.6 | Very high | 95.3 | Very high | 78 Ų | 78 | 95.4 Ų | 95.4 | 42% | 0.417 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 174.3 | -79 | -14.8 | 0 | 0 | 0 | 112 | L170 E177 R178 | L170-D174 WeakPolarHBondContact O-CB 3.2Å; L170-D174 PolarHBondContact O-N 2.77Å; D174-E177 PolarHBondContact O-N 3.36Å; D174-R178 WeakPolarHBondContact O-CB 3.43Å; D174-R178 WeakPolarHBondContact O-CG 3.31Å; D174-R178 PolarHBondContact O-N 2.97Å |
| 175 | I | 93.4 | Very high | 95.4 | Very high | 102 Ų | 102 | 94.7 Ų | 94.7 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 175.3 | -71.1 | 164.7 | 0 | 0 | 0 | 109.9 | Y171 R172 D173 E177 R178 D179 | Y171-I175 WeakPolarHBondContact O-CB 3.3Å; Y171-I175 WeakPolarHBondContact O-CD1 3.42Å; Y171-I175 WeakPolarHBondContact O-CG1 3.49Å; Y171-I175 PolarHBondContact O-N 3Å; R172-I175 PolarHBondContact O-N 3.44Å; D173-I175 PolarHBondContact O-N 2.72Å; I175-E177 VanDerWaalsContact C-N 3.33Å; I175-E177 PolarHBondContact O-N 3.4Å; I175-R178 PolarHBondContact O-N 2.93Å; I175-D179 WeakPolarHBondContact O-CB 3.2Å; I175-D179 PolarHBondContact O-N 2.77Å |
| 176 | A | 95.9 | Very high | 95.5 | Very high | 56 Ų | 56 | 100.9 Ų | 100.9 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R172 D173 D179 A180 | R172-A176 WeakPolarHBondContact O-CB 3.4Å; R172-A176 PolarHBondContact O-N 3.47Å; D173-A176 PolarHBondContact O-N 2.76Å; A176-D179 PolarHBondContact O-N 3.09Å; A176-A180 WeakPolarHBondContact O-CB 3.4Å; A176-A180 PolarHBondContact O-N 3.35Å |
| 177 | E | 96.7 | Very high | 95.4 | Very high | 107 Ų | 107 | 100.9 Ų | 100.9 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -47 | 173.6 | -168.6 | -165 | 150.5 | 0 | 0 | 111.1 | D173 D174 I175 D179 A180 T181 | D173-E177 PolarHBondContact O-N 3.38Å; D174-E177 PolarHBondContact O-N 3.36Å; I175-E177 VanDerWaalsContact C-N 3.33Å; I175-E177 PolarHBondContact O-N 3.4Å; E177-D179 VanDerWaalsContact C-N 3.32Å; E177-D179 PolarHBondContact O-N 3.23Å; E177-A180 WeakPolarHBondContact O-CB 3.23Å; E177-A180 PolarHBondContact O-N 2.76Å; E177-A180 VanDerWaalsContact O-N 3.17Å; E177-T181 WeakPolarHBondContact O-CG2 3.43Å; E177-T181 PolarHBondContact O-N 2.84Å |
| 178 | R | 94.5 | Very high | 95.5 | Very high | 144 Ų | 144 | 102 Ų | 102 | 54% | 0.543 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 176.2 | -72.7 | -76.6 | 123 | 68.4 | 6.5 | 111 | D174 I175 A180 T181 L182 | D174-R178 WeakPolarHBondContact O-CB 3.43Å; D174-R178 WeakPolarHBondContact O-CG 3.31Å; D174-R178 PolarHBondContact O-N 2.97Å; I175-R178 PolarHBondContact O-N 2.93Å; R178-A180 VanDerWaalsContact C-N 3.35Å; R178-A180 PolarHBondContact O-N 2.79Å; R178-T181 PolarHBondContact O-N 2.72Å; R178-T181 PolarHBondContact O-OG1 2.92Å; R178-L182 WeakPolarHBondContact O-CG 3.46Å; R178-L182 PolarHBondContact O-N 3.46Å |
| 179 | D | 96.3 | Very high | 95.4 | Very high | 94 Ų | 94 | 103 Ų | 103 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 176.2 | -76.9 | -25.8 | 0 | 0 | 0 | 112.2 | I175 A176 E177 T181 L182 A183 | I175-D179 WeakPolarHBondContact O-CB 3.2Å; I175-D179 PolarHBondContact O-N 2.77Å; A176-D179 PolarHBondContact O-N 3.09Å; E177-D179 VanDerWaalsContact C-N 3.32Å; E177-D179 PolarHBondContact O-N 3.23Å; D179-T181 PolarHBondContact O-N 3.36Å; D179-L182 PolarHBondContact O-N 2.7Å; D179-A183 WeakPolarHBondContact O-CB 3.37Å; D179-A183 PolarHBondContact O-N 3.02Å |
| 180 | A | 96.6 | Very high | 95.4 | Very high | 49 Ų | 49 | 105.6 Ų | 105.6 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A176 E177 R178 A183 K184 | A176-A180 WeakPolarHBondContact O-CB 3.4Å; A176-A180 PolarHBondContact O-N 3.35Å; E177-A180 WeakPolarHBondContact O-CB 3.23Å; E177-A180 PolarHBondContact O-N 2.76Å; E177-A180 VanDerWaalsContact O-N 3.17Å; R178-A180 VanDerWaalsContact C-N 3.35Å; R178-A180 PolarHBondContact O-N 2.79Å; A180-A183 PolarHBondContact O-N 2.78Å; A180-K184 WeakPolarHBondContact O-CG 3.47Å; A180-K184 PolarHBondContact O-N 3.04Å |
| 181 | T | 96.1 | Very high | 95.4 | Very high | 54 Ų | 54 | 105.2 Ų | 105.2 | 33% | 0.331 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 174.8 | 63.6 | 0 | 0 | 0 | 0 | 112.2 | E177 R178 D179 A183 K184 M185 | E177-T181 WeakPolarHBondContact O-CG2 3.43Å; E177-T181 PolarHBondContact O-N 2.84Å; R178-T181 PolarHBondContact O-N 2.72Å; R178-T181 PolarHBondContact O-OG1 2.92Å; D179-T181 PolarHBondContact O-N 3.36Å; T181-A183 VanDerWaalsContact C-N 3.32Å; T181-A183 PolarHBondContact O-N 3.4Å; T181-K184 PolarHBondContact O-N 2.82Å; T181-M185 WeakPolarHBondContact O-CG 3.33Å; T181-M185 PolarHBondContact O-N 3.13Å |
| 182 | L | 93.1 | Very high | 95.5 | Very high | 86 Ų | 86 | 103.9 Ų | 103.9 | 45% | 0.45 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 175 | -75.1 | 173.5 | 0 | 0 | 0 | 111.7 | R178 D179 M185 R186 | R178-L182 WeakPolarHBondContact O-CG 3.46Å; R178-L182 PolarHBondContact O-N 3.46Å; D179-L182 PolarHBondContact O-N 2.7Å; L182-M185 PolarHBondContact O-N 3.07Å; L182-R186 WeakPolarHBondContact O-CB 3.43Å; L182-R186 VanDerWaalsContact O-CG 3.23Å; L182-R186 WeakPolarHBondContact O-CG 3.31Å; L182-R186 PolarHBondContact O-N 2.78Å |
| 183 | A | 96.1 | Very high | 95.4 | Very high | 54 Ų | 54 | 98.9 Ų | 98.9 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | D179 A180 T181 R186 Q187 | D179-A183 WeakPolarHBondContact O-CB 3.37Å; D179-A183 PolarHBondContact O-N 3.02Å; A180-A183 PolarHBondContact O-N 2.78Å; T181-A183 VanDerWaalsContact C-N 3.32Å; T181-A183 PolarHBondContact O-N 3.4Å; A183-R186 PolarHBondContact O-N 2.76Å; A183-Q187 PolarHBondContact O-N 3.12Å |
| 184 | K | 97 | Very high | 95.4 | Very high | 133 Ų | 133 | 98.8 Ų | 98.8 | 58% | 0.578 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.8 | -48.5 | 174.6 | -72.5 | 174.9 | -177.5 | 177.2 | 0 | 112.1 | A180 T181 R186 Q187 E188 | A180-K184 WeakPolarHBondContact O-CG 3.47Å; A180-K184 PolarHBondContact O-N 3.04Å; T181-K184 PolarHBondContact O-N 2.82Å; K184-R186 VanDerWaalsContact C-N 3.3Å; K184-R186 PolarHBondContact O-N 3.31Å; K184-Q187 WeakPolarHBondContact O-CB 3.22Å; K184-Q187 PolarHBondContact O-N 3.44Å; K184-Q187 VanDerWaalsContact O-N 3.13Å; K184-E188 WeakPolarHBondContact O-CG 3.27Å; K184-E188 PolarHBondContact O-N 2.81Å |
| 185 | M | 95.2 | Very high | 95.3 | Very high | 116 Ų | 116 | 96.8 Ų | 96.8 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62 | -37.2 | 177.7 | -65.6 | -57 | -62.7 | 0 | 0 | 112.1 | T181 L182 E188 N189 | T181-M185 WeakPolarHBondContact O-CG 3.33Å; T181-M185 PolarHBondContact O-N 3.13Å; L182-M185 PolarHBondContact O-N 3.07Å; M185-E188 PolarHBondContact O-N 3.28Å; M185-N189 VanDerWaalsContact O-CB 3.27Å; M185-N189 WeakPolarHBondContact O-CB 3.25Å; M185-N189 PolarHBondContact O-N 2.82Å |
| 186 | R | 96.3 | Very high | 95.4 | Very high | 181 Ų | 181 | 97.1 Ų | 97.1 | 68% | 0.683 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 174 | -76.2 | 170.9 | 178 | 163.3 | 1.5 | 111.8 | L182 A183 K184 N189 F190 | L182-R186 WeakPolarHBondContact O-CB 3.43Å; L182-R186 VanDerWaalsContact O-CG 3.23Å; L182-R186 WeakPolarHBondContact O-CG 3.31Å; L182-R186 PolarHBondContact O-N 2.78Å; A183-R186 PolarHBondContact O-N 2.76Å; K184-R186 VanDerWaalsContact C-N 3.3Å; K184-R186 PolarHBondContact O-N 3.31Å; R186-N189 PolarHBondContact O-N 3.38Å; R186-F190 PolarHBondContact O-N 2.96Å |
| 187 | Q | 95.4 | Very high | 95.3 | Very high | 125 Ų | 125 | 101.6 Ų | 101.6 | 58% | 0.584 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -45.7 | 175.2 | -175.7 | 179.1 | 1.7 | 0 | 0 | 111.6 | A183 K184 N189 F190 E191 | A183-Q187 PolarHBondContact O-N 3.12Å; K184-Q187 WeakPolarHBondContact O-CB 3.22Å; K184-Q187 PolarHBondContact O-N 3.44Å; K184-Q187 VanDerWaalsContact O-N 3.13Å; Q187-N189 VanDerWaalsContact C-N 3.32Å; Q187-N189 PolarHBondContact O-N 2.89Å; Q187-F190 WeakPolarHBondContact O-CB 3.36Å; Q187-F190 PolarHBondContact O-N 3.36Å; Q187-E191 PolarHBondContact O-N 2.82Å |
| 188 | E | 96.2 | Very high | 95.3 | Very high | 110 Ų | 110 | 99.9 Ų | 99.9 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 175.2 | -72.2 | 175.9 | -172.9 | 0 | 0 | 111.8 | K184 M185 F190 E191 L192 | K184-E188 WeakPolarHBondContact O-CG 3.27Å; K184-E188 PolarHBondContact O-N 2.81Å; M185-E188 PolarHBondContact O-N 3.28Å; E188-F190 VanDerWaalsContact C-N 3.32Å; E188-F190 PolarHBondContact O-N 3.3Å; E188-E191 PolarHBondContact O-N 3.19Å; E188-L192 WeakPolarHBondContact O-CB 3.29Å; E188-L192 VanDerWaalsContact O-CG 3.32Å; E188-L192 WeakPolarHBondContact O-CG 3.14Å; E188-L192 PolarHBondContact O-N 3.08Å |
| 189 | N | 92.4 | Very high | 95.3 | Very high | 104 Ų | 104 | 99.3 Ų | 99.3 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.3 | -37.9 | 175.6 | -161.5 | -37.3 | 0 | 0 | 0 | 111.7 | M185 R186 Q187 L192 T193 | M185-N189 VanDerWaalsContact O-CB 3.27Å; M185-N189 WeakPolarHBondContact O-CB 3.25Å; M185-N189 PolarHBondContact O-N 2.82Å; R186-N189 PolarHBondContact O-N 3.38Å; Q187-N189 VanDerWaalsContact C-N 3.32Å; Q187-N189 PolarHBondContact O-N 2.89Å; N189-L192 PolarHBondContact O-N 3.1Å; N189-T193 WeakPolarHBondContact O-CB 3.27Å; N189-T193 PolarHBondContact O-N 3.47Å; N189-T193 PolarHBondContact O-OG1 2.87Å |
| 190 | F | 94 | Very high | 95.2 | Very high | 129 Ų | 129 | 101.7 Ų | 101.7 | 57% | 0.566 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.9 | -44.8 | 172.7 | -179.1 | -97 | 0 | 0 | 0 | 112 | R186 Q187 E188 T193 K194 | R186-F190 PolarHBondContact O-N 2.96Å; Q187-F190 WeakPolarHBondContact O-CB 3.36Å; Q187-F190 PolarHBondContact O-N 3.36Å; E188-F190 VanDerWaalsContact C-N 3.32Å; E188-F190 PolarHBondContact O-N 3.3Å; F190-T193 PolarHBondContact O-N 2.93Å; F190-K194 WeakPolarHBondContact O-CB 3.12Å; F190-K194 PolarHBondContact O-N 2.97Å |
| 191 | E | 96.5 | Very high | 95.1 | Very high | 88 Ų | 88 | 104.9 Ų | 104.9 | 41% | 0.411 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.9 | -37.8 | 176.8 | -67.9 | -59.1 | 154 | 0 | 0 | 112.8 | Q187 E188 T193 K194 S195 | Q187-E191 PolarHBondContact O-N 2.82Å; E188-E191 PolarHBondContact O-N 3.19Å; E191-T193 VanDerWaalsContact C-N 3.33Å; E191-K194 PolarHBondContact O-N 3.05Å; E191-S195 WeakPolarHBondContact O-CB 3.47Å; E191-S195 PolarHBondContact O-N 3.35Å; E191-S195 PolarHBondContact O-OG 3.17Å; E191-S195 VanDerWaalsContact O-OG 3.09Å |
| 192 | L | 95.3 | Very high | 95 | Very high | 110 Ų | 110 | 109 Ų | 109 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 171.7 | -72.7 | 176.1 | 0 | 0 | 0 | 111.3 | E188 N189 S195 L196 | E188-L192 WeakPolarHBondContact O-CB 3.29Å; E188-L192 VanDerWaalsContact O-CG 3.32Å; E188-L192 WeakPolarHBondContact O-CG 3.14Å; E188-L192 PolarHBondContact O-N 3.08Å; N189-L192 PolarHBondContact O-N 3.1Å; L192-S195 WeakPolarHBondContact CA-OG 3.49Å; L192-S195 PolarHBondContact O-N 3.47Å; L192-S195 PolarHBondContact O-OG 2.79Å; L192-L196 WeakPolarHBondContact O-CB 3.31Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 2.85Å |
| 193 | T | 95 | Very high | 95.1 | Very high | 50 Ų | 50 | 113.6 Ų | 113.6 | 31% | 0.307 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 174.8 | -61 | 0 | 0 | 0 | 0 | 111.5 | N189 F190 E191 L196 R197 | N189-T193 WeakPolarHBondContact O-CB 3.27Å; N189-T193 PolarHBondContact O-N 3.47Å; N189-T193 PolarHBondContact O-OG1 2.87Å; F190-T193 PolarHBondContact O-N 2.93Å; E191-T193 VanDerWaalsContact C-N 3.33Å; T193-L196 PolarHBondContact O-N 3.23Å; T193-R197 WeakPolarHBondContact O-CG 3.42Å; T193-R197 PolarHBondContact O-N 3.36Å; T193-R197 VanDerWaalsContact O-N 3.11Å |
| 194 | K | 95.8 | Very high | 95 | Very high | 104 Ų | 104 | 115.9 Ų | 115.9 | 45% | 0.452 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 174.9 | -178.1 | -175.7 | 174.5 | -171.4 | 0 | 111.4 | F190 E191 L196 R197 L198 | F190-K194 WeakPolarHBondContact O-CB 3.12Å; F190-K194 PolarHBondContact O-N 2.97Å; E191-K194 PolarHBondContact O-N 3.05Å; K194-L196 VanDerWaalsContact C-N 3.35Å; K194-L196 PolarHBondContact O-N 2.88Å; K194-R197 WeakPolarHBondContact O-CB 3.34Å; K194-R197 PolarHBondContact O-N 3.49Å; K194-L198 WeakPolarHBondContact O-CG 3.47Å; K194-L198 PolarHBondContact O-N 2.84Å |
| 195 | S | 93.8 | Very high | 94.9 | Very high | 37 Ų | 37 | 114.8 Ų | 114.8 | 26% | 0.259 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 176.6 | 60.6 | 0 | 0 | 0 | 0 | 112.1 | E191 L192 R197 L198 F199 | E191-S195 WeakPolarHBondContact O-CB 3.47Å; E191-S195 PolarHBondContact O-N 3.35Å; E191-S195 PolarHBondContact O-OG 3.17Å; E191-S195 VanDerWaalsContact O-OG 3.09Å; L192-S195 WeakPolarHBondContact CA-OG 3.49Å; L192-S195 PolarHBondContact O-N 3.47Å; L192-S195 PolarHBondContact O-OG 2.79Å; S195-R197 VanDerWaalsContact C-N 3.31Å; S195-R197 PolarHBondContact O-N 2.87Å; S195-L198 PolarHBondContact O-N 3.41Å; S195-F199 WeakPolarHBondContact O-CD2 3.32Å; S195-F199 PolarHBondContact O-N 3.32Å |
| 196 | L | 94.2 | Very high | 94.8 | Very high | 108 Ų | 108 | 112.4 Ų | 112.4 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -36 | 172.6 | -78.3 | 172.3 | 0 | 0 | 0 | 113.1 | L192 T193 K194 K200 | L192-L196 WeakPolarHBondContact O-CB 3.31Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 2.85Å; T193-L196 PolarHBondContact O-N 3.23Å; K194-L196 VanDerWaalsContact C-N 3.35Å; K194-L196 PolarHBondContact O-N 2.88Å; L196-K200 WeakPolarHBondContact O-CG 3.15Å; L196-K200 PolarHBondContact O-N 3.11Å; L196-K200 VanDerWaalsContact O-N 3.12Å |
| 197 | R | 95 | Very high | 94.7 | Very high | 151 Ų | 151 | 107.3 Ų | 107.3 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.3 | -46.8 | 173 | -68.7 | 174.6 | -170.6 | 159.9 | 3.4 | 111 | T193 K194 S195 F199 K200 E201 | T193-R197 WeakPolarHBondContact O-CG 3.42Å; T193-R197 PolarHBondContact O-N 3.36Å; T193-R197 VanDerWaalsContact O-N 3.11Å; K194-R197 WeakPolarHBondContact O-CB 3.34Å; K194-R197 PolarHBondContact O-N 3.49Å; S195-R197 VanDerWaalsContact C-N 3.31Å; S195-R197 PolarHBondContact O-N 2.87Å; R197-F199 VanDerWaalsContact C-N 3.32Å; R197-F199 PolarHBondContact O-N 2.81Å; R197-K200 WeakPolarHBondContact O-CB 3.25Å; R197-K200 PolarHBondContact O-N 2.87Å; R197-E201 WeakPolarHBondContact O-CG 3.36Å; R197-E201 PolarHBondContact O-N 2.9Å |
| 198 | L | 95.6 | Very high | 94.7 | Very high | 71 Ų | 71 | 106 Ų | 106 | 37% | 0.372 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 175.3 | -66 | 171.5 | 0 | 0 | 0 | 112.2 | K194 S195 K200 E201 Y202 | K194-L198 WeakPolarHBondContact O-CG 3.47Å; K194-L198 PolarHBondContact O-N 2.84Å; S195-L198 PolarHBondContact O-N 3.41Å; L198-K200 VanDerWaalsContact C-N 3.31Å; L198-K200 PolarHBondContact O-N 2.99Å; L198-E201 PolarHBondContact O-N 2.86Å; L198-Y202 HydrophobicContact CB-CE2 4.34Å; L198-Y202 WeakPolarHBondContact O-CD2 3.21Å; L198-Y202 PolarHBondContact O-N 3.43Å |
| 199 | F | 95 | Very high | 94.6 | Very high | 132 Ų | 132 | 105.2 Ų | 105.2 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.1 | -33 | 174.6 | -80.4 | -61.9 | 0 | 0 | 0 | 113 | S195 R197 R203 | S195-F199 WeakPolarHBondContact O-CD2 3.32Å; S195-F199 PolarHBondContact O-N 3.32Å; R197-F199 VanDerWaalsContact C-N 3.32Å; R197-F199 PolarHBondContact O-N 2.81Å; F199-R203 WeakPolarHBondContact O-CG 3.42Å; F199-R203 PolarHBondContact O-N 2.84Å |
| 200 | K | 95.1 | Very high | 94.8 | Very high | 143 Ų | 143 | 107.1 Ų | 107.1 | 62% | 0.622 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.7 | -46.3 | 172.6 | -73.3 | 177.4 | 179.9 | -175.3 | 0 | 110.8 | L196 R197 L198 Y202 R203 D204 | L196-K200 WeakPolarHBondContact O-CG 3.15Å; L196-K200 PolarHBondContact O-N 3.11Å; L196-K200 VanDerWaalsContact O-N 3.12Å; R197-K200 WeakPolarHBondContact O-CB 3.25Å; R197-K200 PolarHBondContact O-N 2.87Å; L198-K200 VanDerWaalsContact C-N 3.31Å; L198-K200 PolarHBondContact O-N 2.99Å; K200-Y202 VanDerWaalsContact C-N 3.29Å; K200-Y202 PolarHBondContact O-N 3.33Å; K200-R203 WeakPolarHBondContact O-CA 3.31Å; K200-R203 WeakPolarHBondContact O-CB 3.36Å; K200-R203 PolarHBondContact O-N 3.44Å; K200-D204 VanDerWaalsContact O-CG 3.27Å; K200-D204 PolarHBondContact O-N 3.24Å |
| 201 | E | 94.6 | Very high | 94.8 | Very high | 116 Ų | 116 | 106 Ų | 106 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.5 | -42.4 | 174.8 | -67.8 | 166.8 | -161.1 | 0 | 0 | 111.5 | R197 L198 R203 D204 E205 | R197-E201 WeakPolarHBondContact O-CG 3.36Å; R197-E201 PolarHBondContact O-N 2.9Å; L198-E201 PolarHBondContact O-N 2.86Å; E201-R203 PolarHBondContact O-N 3.3Å; E201-D204 PolarHBondContact O-N 3.47Å; E201-E205 WeakPolarHBondContact O-CB 3.35Å; E201-E205 PolarHBondContact O-N 2.83Å |
| 202 | Y | 94.1 | Very high | 94.7 | Very high | 140 Ų | 140 | 108.4 Ų | 108.4 | 55% | 0.549 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66 | -34.4 | 173.5 | -71.4 | -48.7 | 0 | 0 | 0 | 113.5 | L198 K200 V206 | L198-Y202 HydrophobicContact CB-CE2 4.34Å; L198-Y202 WeakPolarHBondContact O-CD2 3.21Å; L198-Y202 PolarHBondContact O-N 3.43Å; K200-Y202 VanDerWaalsContact C-N 3.29Å; K200-Y202 PolarHBondContact O-N 3.33Å; Y202-V206 WeakPolarHBondContact O-CB 3.09Å; Y202-V206 VanDerWaalsContact O-CG2 3.22Å; Y202-V206 WeakPolarHBondContact O-CG2 3.36Å; Y202-V206 PolarHBondContact O-N 2.86Å |
| 203 | R | 94.7 | Very high | 94.7 | Very high | 184 Ų | 184 | 107.6 Ų | 107.6 | 69% | 0.694 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.9 | -44.7 | 173.8 | -80.5 | -172 | -179.9 | -136.4 | 2.6 | 111.2 | F199 K200 E201 E205 V206 D207 | F199-R203 WeakPolarHBondContact O-CG 3.42Å; F199-R203 PolarHBondContact O-N 2.84Å; K200-R203 WeakPolarHBondContact O-CA 3.31Å; K200-R203 WeakPolarHBondContact O-CB 3.36Å; K200-R203 PolarHBondContact O-N 3.44Å; E201-R203 PolarHBondContact O-N 3.3Å; R203-E205 VanDerWaalsContact C-N 3.3Å; R203-E205 PolarHBondContact O-N 3.1Å; R203-V206 PolarHBondContact O-N 3.47Å; R203-D207 PolarHBondContact O-N 3.07Å |
| 204 | D | 93.7 | Very high | 94.7 | Very high | 101 Ų | 101 | 109 Ų | 109 | 54% | 0.54 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 176.9 | -62.2 | -20.7 | 0 | 0 | 0 | 110.4 | K200 E201 D207 V208 | K200-D204 VanDerWaalsContact O-CG 3.27Å; K200-D204 PolarHBondContact O-N 3.24Å; E201-D204 PolarHBondContact O-N 3.47Å; D204-D207 PolarHBondContact O-N 3Å; D204-V208 VanDerWaalsContact O-CG2 3.3Å; D204-V208 WeakPolarHBondContact O-CG2 3.41Å; D204-V208 PolarHBondContact O-N 3.43Å |
| 205 | E | 95 | Very high | 94.7 | Very high | 110 Ų | 110 | 111.6 Ų | 111.6 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 173.8 | -174.5 | 174.8 | -162.5 | 0 | 0 | 112 | E201 R203 D207 V208 L209 | E201-E205 WeakPolarHBondContact O-CB 3.35Å; E201-E205 PolarHBondContact O-N 2.83Å; R203-E205 VanDerWaalsContact C-N 3.3Å; R203-E205 PolarHBondContact O-N 3.1Å; E205-D207 VanDerWaalsContact C-N 3.31Å; E205-D207 PolarHBondContact O-N 2.84Å; E205-V208 PolarHBondContact O-N 2.85Å; E205-L209 HydrophobicContact CG-CD1 4.37Å; E205-L209 WeakPolarHBondContact O-CB 3.44Å; E205-L209 VanDerWaalsContact O-CG 3.28Å; E205-L209 WeakPolarHBondContact O-CG 3.32Å; E205-L209 PolarHBondContact O-N 3.23Å |
| 206 | V | 93.5 | Very high | 94.8 | Very high | 67 Ų | 67 | 115 Ų | 115 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 175.7 | 167.1 | 0 | 0 | 0 | 0 | 111.6 | Y202 R203 L209 R210 | Y202-V206 WeakPolarHBondContact O-CB 3.09Å; Y202-V206 VanDerWaalsContact O-CG2 3.22Å; Y202-V206 WeakPolarHBondContact O-CG2 3.36Å; Y202-V206 PolarHBondContact O-N 2.86Å; R203-V206 PolarHBondContact O-N 3.47Å; V206-L209 PolarHBondContact O-N 3.36Å; V206-R210 VanDerWaalsContact O-CG 3.28Å; V206-R210 WeakPolarHBondContact O-CG 3.38Å; V206-R210 PolarHBondContact O-N 2.93Å |
| 207 | D | 94.8 | Very high | 94.8 | Very high | 74 Ų | 74 | 112.4 Ų | 112.4 | 40% | 0.396 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.9 | -38.9 | 178.4 | -70.8 | -24.7 | 0 | 0 | 0 | 111.8 | R203 D204 E205 L209 R210 E211 | R203-D207 PolarHBondContact O-N 3.07Å; D204-D207 PolarHBondContact O-N 3Å; E205-D207 VanDerWaalsContact C-N 3.31Å; E205-D207 PolarHBondContact O-N 2.84Å; D207-L209 VanDerWaalsContact C-N 3.32Å; D207-L209 PolarHBondContact O-N 3.24Å; D207-R210 PolarHBondContact O-N 2.86Å; D207-R210 IonicContact OD1-CZ 2.99Å; D207-R210 IonicContact OD1-NH1 3.21Å; D207-R210 PolarHBondContact OD1-NH1 2.92Å; D207-E211 PolarHBondContact O-N 3.32Å |
| 208 | V | 94.7 | Very high | 94.9 | Very high | 98 Ų | 98 | 110.7 Ų | 110.7 | 59% | 0.594 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.2 | -42.1 | 170.1 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | D204 E205 R212 | D204-V208 VanDerWaalsContact O-CG2 3.3Å; D204-V208 WeakPolarHBondContact O-CG2 3.41Å; D204-V208 PolarHBondContact O-N 3.43Å; E205-V208 PolarHBondContact O-N 2.85Å; V208-R212 WeakPolarHBondContact O-CB 3.34Å; V208-R212 PolarHBondContact O-N 2.93Å |
| 209 | L | 93.3 | Very high | 94.8 | Very high | 93 Ų | 93 | 112.1 Ų | 112.1 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 176.6 | -70.9 | 175.2 | 0 | 0 | 0 | 112 | E205 V206 D207 R212 T213 | E205-L209 HydrophobicContact CG-CD1 4.37Å; E205-L209 WeakPolarHBondContact O-CB 3.44Å; E205-L209 VanDerWaalsContact O-CG 3.28Å; E205-L209 WeakPolarHBondContact O-CG 3.32Å; E205-L209 PolarHBondContact O-N 3.23Å; V206-L209 PolarHBondContact O-N 3.36Å; D207-L209 VanDerWaalsContact C-N 3.32Å; D207-L209 PolarHBondContact O-N 3.24Å; L209-R212 PolarHBondContact O-N 3.34Å; L209-T213 PolarHBondContact O-N 3.28Å; L209-T213 PolarHBondContact O-OG1 3.1Å |
| 210 | R | 96.4 | Very high | 94.9 | Very high | 144 Ų | 144 | 112 Ų | 112 | 54% | 0.543 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 175 | -74.6 | 166.2 | 178 | 168.9 | -2.9 | 112 | V206 D207 R212 T213 I214 | V206-R210 VanDerWaalsContact O-CG 3.28Å; V206-R210 WeakPolarHBondContact O-CG 3.38Å; V206-R210 PolarHBondContact O-N 2.93Å; D207-R210 PolarHBondContact O-N 2.86Å; D207-R210 IonicContact OD1-CZ 2.99Å; D207-R210 IonicContact OD1-NH1 3.21Å; D207-R210 PolarHBondContact OD1-NH1 2.92Å; R210-R212 VanDerWaalsContact C-N 3.29Å; R210-R212 PolarHBondContact O-N 3.46Å; R210-T213 WeakPolarHBondContact O-CB 3.31Å; R210-T213 PolarHBondContact O-N 2.87Å; R210-I214 WeakPolarHBondContact O-CG1 3.44Å; R210-I214 PolarHBondContact O-N 3.14Å |
| 211 | E | 94 | Very high | 94.9 | Very high | 104 Ų | 104 | 106.9 Ų | 106.9 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 175.4 | -76.4 | -61.5 | 140.9 | 0 | 0 | 111.6 | D207 I214 R215 | D207-E211 PolarHBondContact O-N 3.32Å; E211-I214 PolarHBondContact O-N 3.42Å; E211-R215 VanDerWaalsContact O-CG 3.31Å; E211-R215 WeakPolarHBondContact O-CG 3.38Å; E211-R215 PolarHBondContact O-N 3.43Å |
| 212 | R | 95.2 | Very high | 94.9 | Very high | 140 Ų | 140 | 104.5 Ų | 104.5 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 174.7 | -176.9 | 169.8 | 175.2 | 166.2 | -8.3 | 112 | V208 L209 R210 R215 Y216 | V208-R212 WeakPolarHBondContact O-CB 3.34Å; V208-R212 PolarHBondContact O-N 2.93Å; L209-R212 PolarHBondContact O-N 3.34Å; R210-R212 VanDerWaalsContact C-N 3.29Å; R210-R212 PolarHBondContact O-N 3.46Å; R212-R215 PolarHBondContact O-N 3.07Å; R212-Y216 HydrophobicContact CG-CD2 3.81Å; R212-Y216 HydrophobicContact CG-CE2 3.38Å; R212-Y216 VanDerWaalsContact CZ-OH 3.25Å; R212-Y216 VanDerWaalsContact NE-CE2 3.28Å; R212-Y216 PolarHBondContact NE-OH 2.94Å; R212-Y216 PolarHBondContact NH2-OH 3.4Å; R212-Y216 WeakPolarHBondContact O-CD2 3.48Å; R212-Y216 PolarHBondContact O-N 3.36Å |
| 213 | T | 95.4 | Very high | 94.7 | Very high | 93 Ų | 93 | 101.1 Ų | 101.1 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.8 | -42.2 | 174 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | L209 R210 Y216 A217 | L209-T213 PolarHBondContact O-N 3.28Å; L209-T213 PolarHBondContact O-OG1 3.1Å; R210-T213 WeakPolarHBondContact O-CB 3.31Å; R210-T213 PolarHBondContact O-N 2.87Å; T213-Y216 PolarHBondContact O-N 3.36Å; T213-A217 PolarHBondContact O-N 3.13Å |
| 214 | I | 94.8 | Very high | 94.8 | Very high | 80 Ų | 80 | 98 Ų | 98 | 41% | 0.41 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 175.7 | -66.8 | 165.2 | 0 | 0 | 0 | 110.5 | R210 E211 Y216 A217 Q218 | R210-I214 WeakPolarHBondContact O-CG1 3.44Å; R210-I214 PolarHBondContact O-N 3.14Å; E211-I214 PolarHBondContact O-N 3.42Å; I214-Y216 VanDerWaalsContact C-N 3.34Å; I214-Y216 PolarHBondContact O-N 2.79Å; I214-A217 PolarHBondContact O-N 2.75Å; I214-Q218 WeakPolarHBondContact O-CG 3.32Å; I214-Q218 PolarHBondContact O-N 3.23Å |
| 215 | R | 96.5 | Very high | 94.9 | Very high | 157 Ų | 157 | 98.4 Ų | 98.4 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.6 | -40.5 | 175.3 | -71.4 | 176 | -166.7 | -178.2 | 4.2 | 112.2 | E211 R212 Q218 L219 | E211-R215 VanDerWaalsContact O-CG 3.31Å; E211-R215 WeakPolarHBondContact O-CG 3.38Å; E211-R215 PolarHBondContact O-N 3.43Å; R212-R215 PolarHBondContact O-N 3.07Å; R215-Q218 PolarHBondContact O-N 3.21Å; R215-L219 WeakPolarHBondContact O-CG 3.45Å; R215-L219 PolarHBondContact O-N 2.87Å |
| 216 | Y | 95.7 | Very high | 94.8 | Very high | 110 Ų | 110 | 100.7 Ų | 100.7 | 43% | 0.431 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 174.6 | -76.2 | -50.3 | 0 | 0 | 0 | 112.2 | R212 T213 I214 Q218 L219 E220 | R212-Y216 HydrophobicContact CG-CD2 3.81Å; R212-Y216 HydrophobicContact CG-CE2 3.38Å; R212-Y216 VanDerWaalsContact CZ-OH 3.25Å; R212-Y216 VanDerWaalsContact NE-CE2 3.28Å; R212-Y216 PolarHBondContact NE-OH 2.94Å; R212-Y216 PolarHBondContact NH2-OH 3.4Å; R212-Y216 WeakPolarHBondContact O-CD2 3.48Å; R212-Y216 PolarHBondContact O-N 3.36Å; T213-Y216 PolarHBondContact O-N 3.36Å; I214-Y216 VanDerWaalsContact C-N 3.34Å; I214-Y216 PolarHBondContact O-N 2.79Å; Y216-Q218 VanDerWaalsContact C-N 3.29Å; Y216-Q218 PolarHBondContact O-N 2.83Å; Y216-L219 PolarHBondContact O-N 3.16Å; Y216-E220 WeakPolarHBondContact O-CB 3.47Å; Y216-E220 WeakPolarHBondContact O-CG 3.29Å; Y216-E220 PolarHBondContact O-N 3.29Å |
| 217 | A | 94.5 | Very high | 95 | Very high | 52 Ų | 52 | 104.3 Ų | 104.3 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T213 I214 E220 A221 | T213-A217 PolarHBondContact O-N 3.13Å; I214-A217 PolarHBondContact O-N 2.75Å; A217-E220 PolarHBondContact O-N 2.9Å; A217-A221 WeakPolarHBondContact O-CB 3.29Å; A217-A221 PolarHBondContact O-N 2.86Å |
| 218 | Q | 96.5 | Very high | 95 | Very high | 116 Ų | 116 | 106.5 Ų | 106.5 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 173.9 | -72 | 172.8 | -2.3 | 0 | 0 | 112.1 | I214 R215 Y216 E220 A221 D222 | I214-Q218 WeakPolarHBondContact O-CG 3.32Å; I214-Q218 PolarHBondContact O-N 3.23Å; R215-Q218 PolarHBondContact O-N 3.21Å; Y216-Q218 VanDerWaalsContact C-N 3.29Å; Y216-Q218 PolarHBondContact O-N 2.83Å; Q218-E220 VanDerWaalsContact C-N 3.3Å; Q218-E220 PolarHBondContact O-N 3.46Å; Q218-A221 PolarHBondContact O-N 3.19Å; Q218-D222 PolarHBondContact O-N 2.89Å |
| 219 | L | 94.3 | Very high | 95.1 | Very high | 101 Ų | 101 | 107.2 Ų | 107.2 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 176.1 | -72.4 | 171.5 | 0 | 0 | 0 | 111.8 | R215 Y216 D222 C223 | R215-L219 WeakPolarHBondContact O-CG 3.45Å; R215-L219 PolarHBondContact O-N 2.87Å; Y216-L219 PolarHBondContact O-N 3.16Å; L219-D222 PolarHBondContact O-N 2.81Å; L219-C223 WeakPolarHBondContact O-CB 3.42Å; L219-C223 PolarHBondContact O-N 3.26Å; L219-C223 PolarHBondContact O-SG 2.93Å |
| 220 | E | 96.1 | Very high | 95.1 | Very high | 128 Ų | 128 | 107.4 Ų | 107.4 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.6 | -47.6 | 173.6 | -76.3 | 174.8 | 172.6 | 0 | 0 | 111.3 | Y216 A217 Q218 D222 C223 E224 | Y216-E220 WeakPolarHBondContact O-CB 3.47Å; Y216-E220 WeakPolarHBondContact O-CG 3.29Å; Y216-E220 PolarHBondContact O-N 3.29Å; A217-E220 PolarHBondContact O-N 2.9Å; Q218-E220 VanDerWaalsContact C-N 3.3Å; Q218-E220 PolarHBondContact O-N 3.46Å; E220-D222 VanDerWaalsContact C-N 3.32Å; E220-D222 PolarHBondContact O-N 3.37Å; E220-C223 WeakPolarHBondContact O-CB 3.45Å; E220-C223 PolarHBondContact O-N 2.8Å; E220-E224 WeakPolarHBondContact O-CG 3.45Å; E220-E224 PolarHBondContact O-N 3.05Å |
| 221 | A | 95 | Very high | 95.1 | Very high | 37 Ų | 37 | 103.9 Ų | 103.9 | 31% | 0.306 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A217 Q218 E224 K225 | A217-A221 WeakPolarHBondContact O-CB 3.29Å; A217-A221 PolarHBondContact O-N 2.86Å; Q218-A221 PolarHBondContact O-N 3.19Å; A221-E224 PolarHBondContact O-N 2.87Å; A221-K225 WeakPolarHBondContact O-CG 3.38Å; A221-K225 PolarHBondContact O-N 3.36Å |
| 222 | D | 94.7 | Very high | 95.2 | Very high | 66 Ų | 66 | 104.7 Ų | 104.7 | 35% | 0.353 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71 | -37.7 | 175 | -71.3 | -18.5 | 0 | 0 | 0 | 111.8 | Q218 L219 E220 E224 K225 Y226 | Q218-D222 PolarHBondContact O-N 2.89Å; L219-D222 PolarHBondContact O-N 2.81Å; E220-D222 VanDerWaalsContact C-N 3.32Å; E220-D222 PolarHBondContact O-N 3.37Å; D222-E224 VanDerWaalsContact C-N 3.28Å; D222-E224 PolarHBondContact O-N 3.45Å; D222-K225 PolarHBondContact O-N 2.82Å; D222-K225 IonicContact OD1-NZ 3.99Å; D222-K225 PolarHBondContact OD1-NZ 3.36Å; D222-Y226 HydrophobicContact CB-CE2 4.39Å; D222-Y226 WeakPolarHBondContact O-CD2 3.4Å; D222-Y226 PolarHBondContact O-N 2.92Å |
| 223 | C | 90.8 | Very high | 95.1 | Very high | 69 Ų | 69 | 102.6 Ų | 102.6 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -37.1 | 170.8 | -71.9 | 0 | 0 | 0 | 0 | 112 | L219 E220 Y226 K227 | L219-C223 WeakPolarHBondContact O-CB 3.42Å; L219-C223 PolarHBondContact O-N 3.26Å; L219-C223 PolarHBondContact O-SG 2.93Å; E220-C223 WeakPolarHBondContact O-CB 3.45Å; E220-C223 PolarHBondContact O-N 2.8Å; C223-Y226 PolarHBondContact O-N 2.88Å; C223-K227 VanDerWaalsContact O-CG 3.25Å; C223-K227 WeakPolarHBondContact O-CG 3.46Å; C223-K227 PolarHBondContact O-N 3.25Å |
| 224 | E | 96.3 | Very high | 95 | Very high | 119 Ų | 119 | 101.5 Ų | 101.5 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.4 | -47.4 | 173.7 | -72.8 | 177.3 | 171 | 0 | 0 | 111.6 | E220 A221 D222 Y226 K227 E228 | E220-E224 WeakPolarHBondContact O-CG 3.45Å; E220-E224 PolarHBondContact O-N 3.05Å; A221-E224 PolarHBondContact O-N 2.87Å; D222-E224 VanDerWaalsContact C-N 3.28Å; D222-E224 PolarHBondContact O-N 3.45Å; E224-Y226 VanDerWaalsContact C-N 3.28Å; E224-Y226 PolarHBondContact O-N 3.45Å; E224-K227 WeakPolarHBondContact O-CB 3.21Å; E224-K227 PolarHBondContact O-N 3.36Å; E224-E228 WeakPolarHBondContact O-CG 3.18Å; E224-E228 PolarHBondContact O-N 2.94Å |
| 225 | K | 96.4 | Very high | 95.1 | Very high | 108 Ų | 108 | 104.6 Ų | 104.6 | 47% | 0.47 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.1 | -39.4 | 174.3 | -67.3 | 170.3 | -161.1 | 157.2 | 0 | 112.4 | A221 D222 E228 K229 | A221-K225 WeakPolarHBondContact O-CG 3.38Å; A221-K225 PolarHBondContact O-N 3.36Å; D222-K225 PolarHBondContact O-N 2.82Å; D222-K225 IonicContact OD1-NZ 3.99Å; D222-K225 PolarHBondContact OD1-NZ 3.36Å; K225-E228 PolarHBondContact O-N 3.2Å; K225-K229 WeakPolarHBondContact O-CB 3.33Å; K225-K229 VanDerWaalsContact O-CG 3.29Å; K225-K229 WeakPolarHBondContact O-CG 3.13Å; K225-K229 PolarHBondContact O-N 2.92Å |
| 226 | Y | 93.2 | Very high | 95 | Very high | 158 Ų | 158 | 101.8 Ų | 101.8 | 62% | 0.62 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.9 | -34.6 | 176.4 | -72.4 | -58.1 | 0 | 0 | 0 | 112.4 | D222 C223 E224 K229 L230 | D222-Y226 HydrophobicContact CB-CE2 4.39Å; D222-Y226 WeakPolarHBondContact O-CD2 3.4Å; D222-Y226 PolarHBondContact O-N 2.92Å; C223-Y226 PolarHBondContact O-N 2.88Å; E224-Y226 VanDerWaalsContact C-N 3.28Å; E224-Y226 PolarHBondContact O-N 3.45Å; Y226-K229 HydrophobicContact CD1-CD 4.37Å; Y226-L230 WeakPolarHBondContact O-CB 3.42Å; Y226-L230 PolarHBondContact O-N 3.29Å |
| 227 | K | 96.2 | Very high | 95 | Very high | 144 Ų | 144 | 101.7 Ų | 101.7 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -42 | 171.7 | -73.7 | 168.8 | -176.7 | 175.1 | 0 | 111.7 | C223 E224 L230 S231 | C223-K227 VanDerWaalsContact O-CG 3.25Å; C223-K227 WeakPolarHBondContact O-CG 3.46Å; C223-K227 PolarHBondContact O-N 3.25Å; E224-K227 WeakPolarHBondContact O-CB 3.21Å; E224-K227 PolarHBondContact O-N 3.36Å; K227-L230 PolarHBondContact O-N 2.86Å; K227-S231 PolarHBondContact O-N 3.03Å |
| 228 | E | 95.2 | Very high | 95 | Very high | 119 Ų | 119 | 102 Ų | 102 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.7 | -49.8 | 174.8 | -71.7 | 176.6 | 172.4 | 0 | 0 | 111 | E224 K225 L230 S231 E232 | E224-E228 WeakPolarHBondContact O-CG 3.18Å; E224-E228 PolarHBondContact O-N 2.94Å; K225-E228 PolarHBondContact O-N 3.2Å; E228-L230 VanDerWaalsContact C-N 3.26Å; E228-L230 PolarHBondContact O-N 3.16Å; E228-S231 WeakPolarHBondContact O-CA 3.23Å; E228-S231 WeakPolarHBondContact O-CB 3.48Å; E228-S231 PolarHBondContact O-N 3.19Å; E228-S231 PolarHBondContact O-OG 2.7Å; E228-E232 PolarHBondContact O-N 3.04Å |
| 229 | K | 96 | Very high | 95.1 | Very high | 114 Ų | 114 | 100.8 Ų | 100.8 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.1 | -37.2 | 174.7 | -73 | 174.5 | -178.6 | -179.4 | 0 | 113 | K225 Y226 E232 L233 | K225-K229 WeakPolarHBondContact O-CB 3.33Å; K225-K229 VanDerWaalsContact O-CG 3.29Å; K225-K229 WeakPolarHBondContact O-CG 3.13Å; K225-K229 PolarHBondContact O-N 2.92Å; Y226-K229 HydrophobicContact CD1-CD 4.37Å; K229-E232 PolarHBondContact O-N 2.79Å; K229-L233 WeakPolarHBondContact O-CG 3.31Å; K229-L233 PolarHBondContact O-N 3.5Å |
| 230 | L | 94.8 | Very high | 95 | Very high | 96 Ų | 96 | 99 Ų | 99 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 175.3 | -173.6 | 64.8 | 0 | 0 | 0 | 110.9 | Y226 K227 E228 E232 L233 D234 | Y226-L230 WeakPolarHBondContact O-CB 3.42Å; Y226-L230 PolarHBondContact O-N 3.29Å; K227-L230 PolarHBondContact O-N 2.86Å; E228-L230 VanDerWaalsContact C-N 3.26Å; E228-L230 PolarHBondContact O-N 3.16Å; L230-E232 VanDerWaalsContact C-N 3.34Å; L230-E232 PolarHBondContact O-N 2.73Å; L230-L233 PolarHBondContact O-N 3.36Å; L230-D234 PolarHBondContact O-N 3.29Å |
| 231 | S | 95.3 | Very high | 95 | Very high | 70 Ų | 70 | 97.8 Ų | 97.8 | 49% | 0.49 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -36.1 | 175.3 | 73.8 | 0 | 0 | 0 | 0 | 113.1 | K227 E228 D234 F235 | K227-S231 PolarHBondContact O-N 3.03Å; E228-S231 WeakPolarHBondContact O-CA 3.23Å; E228-S231 WeakPolarHBondContact O-CB 3.48Å; E228-S231 PolarHBondContact O-N 3.19Å; E228-S231 PolarHBondContact O-OG 2.7Å; S231-D234 PolarHBondContact O-N 3.37Å; S231-F235 PolarHBondContact O-N 3.21Å |
| 232 | E | 96.9 | Very high | 94.9 | Very high | 121 Ų | 121 | 100.8 Ų | 100.8 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.5 | -42.3 | 172.5 | -70.9 | 176.6 | -173.8 | 0 | 0 | 111.8 | E228 K229 L230 D234 F235 L236 | E228-E232 PolarHBondContact O-N 3.04Å; K229-E232 PolarHBondContact O-N 2.79Å; L230-E232 VanDerWaalsContact C-N 3.34Å; L230-E232 PolarHBondContact O-N 2.73Å; E232-D234 VanDerWaalsContact C-N 3.31Å; E232-D234 PolarHBondContact O-N 2.72Å; E232-F235 WeakPolarHBondContact O-CB 3.2Å; E232-F235 PolarHBondContact O-N 2.78Å; E232-L236 WeakPolarHBondContact O-CG 3.34Å; E232-L236 PolarHBondContact O-N 3.33Å |
| 233 | L | 91.8 | Very high | 94.8 | Very high | 96 Ų | 96 | 101 Ų | 101 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 174.3 | -78 | 172.5 | 0 | 0 | 0 | 111.6 | K229 L230 L236 K237 | K229-L233 WeakPolarHBondContact O-CG 3.31Å; K229-L233 PolarHBondContact O-N 3.5Å; L230-L233 PolarHBondContact O-N 3.36Å; L233-L236 PolarHBondContact O-N 3.46Å; L233-K237 VanDerWaalsContact O-CG 3.26Å; L233-K237 WeakPolarHBondContact O-CG 3.23Å; L233-K237 PolarHBondContact O-N 2.79Å |
| 234 | D | 94.8 | Very high | 95 | Very high | 71 Ų | 71 | 105.7 Ų | 105.7 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 176 | -68 | -26 | 0 | 0 | 0 | 111.6 | L230 S231 E232 K237 S238 | L230-D234 PolarHBondContact O-N 3.29Å; S231-D234 PolarHBondContact O-N 3.37Å; E232-D234 VanDerWaalsContact C-N 3.31Å; E232-D234 PolarHBondContact O-N 2.72Å; D234-K237 PolarHBondContact O-N 3.2Å; D234-K237 IonicContact OD1-NZ 2.84Å; D234-K237 PolarHBondContact OD1-NZ 2.71Å; D234-S238 PolarHBondContact O-N 2.94Å; D234-S238 PolarHBondContact O-OG 2.84Å |
| 235 | F | 95.5 | Very high | 94.9 | Very high | 145 Ų | 145 | 105.9 Ų | 105.9 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.7 | -45 | 170.5 | 173.6 | -97 | 0 | 0 | 0 | 112.4 | S231 E232 K237 S238 R239 | S231-F235 PolarHBondContact O-N 3.21Å; E232-F235 WeakPolarHBondContact O-CB 3.2Å; E232-F235 PolarHBondContact O-N 2.78Å; F235-K237 VanDerWaalsContact C-N 3.35Å; F235-S238 PolarHBondContact O-N 2.85Å; F235-R239 PolarHBondContact O-N 2.9Å |
| 236 | L | 95.9 | Very high | 94.9 | Very high | 98 Ų | 98 | 105.2 Ų | 105.2 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 177.1 | -70.5 | 175.3 | 0 | 0 | 0 | 112 | E232 L233 R239 V240 | E232-L236 WeakPolarHBondContact O-CG 3.34Å; E232-L236 PolarHBondContact O-N 3.33Å; L233-L236 PolarHBondContact O-N 3.46Å; L236-R239 PolarHBondContact O-N 3.46Å; L236-V240 VanDerWaalsContact O-CG2 3.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.31Å; L236-V240 PolarHBondContact O-N 2.94Å |
| 237 | K | 95.8 | Very high | 94.8 | Very high | 107 Ų | 107 | 102.1 Ų | 102.1 | 47% | 0.465 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 172.2 | -73.2 | 171.2 | -160.2 | 159.5 | 0 | 110.9 | L233 D234 F235 R239 V240 E241 | L233-K237 VanDerWaalsContact O-CG 3.26Å; L233-K237 WeakPolarHBondContact O-CG 3.23Å; L233-K237 PolarHBondContact O-N 2.79Å; D234-K237 PolarHBondContact O-N 3.2Å; D234-K237 IonicContact OD1-NZ 2.84Å; D234-K237 PolarHBondContact OD1-NZ 2.71Å; F235-K237 VanDerWaalsContact C-N 3.35Å; K237-R239 VanDerWaalsContact C-N 3.27Å; K237-R239 PolarHBondContact O-N 3.35Å; K237-V240 PolarHBondContact O-N 2.88Å; K237-V240 VanDerWaalsContact O-N 3.1Å; K237-E241 WeakPolarHBondContact O-CG 3.14Å; K237-E241 PolarHBondContact O-N 2.86Å |
| 238 | S | 94.7 | Very high | 94.8 | Very high | 59 Ų | 59 | 100.5 Ų | 100.5 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.9 | -39.4 | 175.6 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | D234 F235 V240 E241 E242 | D234-S238 PolarHBondContact O-N 2.94Å; D234-S238 PolarHBondContact O-OG 2.84Å; F235-S238 PolarHBondContact O-N 2.85Å; S238-V240 PolarHBondContact O-N 3.37Å; S238-E241 PolarHBondContact O-N 3.43Å; S238-E242 WeakPolarHBondContact O-CG 3.39Å; S238-E242 PolarHBondContact O-N 2.85Å |
| 239 | R | 96.9 | Very high | 94.8 | Very high | 90 Ų | 90 | 98.6 Ų | 98.6 | 34% | 0.34 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.7 | -35.5 | 175.8 | -175.6 | 57 | -175.8 | 145.8 | 6.6 | 113.1 | F235 L236 K237 E242 L243 E246 | F235-R239 PolarHBondContact O-N 2.9Å; L236-R239 PolarHBondContact O-N 3.46Å; K237-R239 VanDerWaalsContact C-N 3.27Å; K237-R239 PolarHBondContact O-N 3.35Å; R239-E242 WeakPolarHBondContact CD-OE2 3.36Å; R239-E242 IonicContact CZ-OE2 3.93Å; R239-E242 IonicContact NH1-OE2 2.68Å; R239-E242 PolarHBondContact NH1-OE2 2.84Å; R239-L243 HydrophobicContact CG-CD1 4.45Å; R239-L243 WeakPolarHBondContact O-CB 3.43Å; R239-L243 VanDerWaalsContact O-CG 3.31Å; R239-L243 WeakPolarHBondContact O-CG 3.37Å; R239-L243 PolarHBondContact O-N 3.47Å; R239-E246 IonicContact NH1-OE1 3.81Å; R239-E246 PolarHBondContact NH1-OE1 3.33Å |
| 240 | V | 93.4 | Very high | 94.7 | Very high | 65 Ų | 65 | 98.3 Ų | 98.3 | 39% | 0.394 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.1 | -38.4 | 174.8 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | L236 K237 S238 L243 R244 | L236-V240 VanDerWaalsContact O-CG2 3.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.31Å; L236-V240 PolarHBondContact O-N 2.94Å; K237-V240 PolarHBondContact O-N 2.88Å; K237-V240 VanDerWaalsContact O-N 3.1Å; S238-V240 PolarHBondContact O-N 3.37Å; V240-L243 PolarHBondContact O-N 3.07Å; V240-R244 VanDerWaalsContact O-CG 3.26Å; V240-R244 WeakPolarHBondContact O-CG 3.32Å; V240-R244 PolarHBondContact O-N 3.27Å |
| 241 | E | 95 | Very high | 94.6 | Very high | 101 Ų | 101 | 99 Ų | 99 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.2 | -53.8 | 171.7 | -71.6 | 168.3 | -179 | 0 | 0 | 110.1 | K237 S238 L243 R244 E245 | K237-E241 WeakPolarHBondContact O-CG 3.14Å; K237-E241 PolarHBondContact O-N 2.86Å; S238-E241 PolarHBondContact O-N 3.43Å; E241-L243 VanDerWaalsContact C-N 3.29Å; E241-L243 PolarHBondContact O-N 2.95Å; E241-R244 CarbonylContact O-C 3.52Å; E241-R244 WeakPolarHBondContact O-CA 3.41Å; E241-R244 VanDerWaalsContact O-CB 3.32Å; E241-R244 WeakPolarHBondContact O-CB 3.2Å; E241-R244 PolarHBondContact O-N 3.49Å; E241-E245 PolarHBondContact O-N 3.35Å |
| 242 | E | 92.4 | Very high | 94.6 | Very high | 101 Ų | 101 | 100.8 Ų | 100.8 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -50.9 | -45.9 | 174.8 | -73.9 | 174.1 | -176.2 | 0 | 0 | 112.9 | S238 R239 R244 E245 E246 | S238-E242 WeakPolarHBondContact O-CG 3.39Å; S238-E242 PolarHBondContact O-N 2.85Å; R239-E242 WeakPolarHBondContact CD-OE2 3.36Å; R239-E242 IonicContact CZ-OE2 3.93Å; R239-E242 IonicContact NH1-OE2 2.68Å; R239-E242 PolarHBondContact NH1-OE2 2.84Å; E242-R244 VanDerWaalsContact C-N 3.32Å; E242-R244 PolarHBondContact O-N 2.72Å; E242-E245 PolarHBondContact O-N 3.4Å; E242-E246 WeakPolarHBondContact O-CB 3.41Å; E242-E246 WeakPolarHBondContact O-CG 3.27Å; E242-E246 PolarHBondContact O-N 3.43Å |
| 243 | L | 93.2 | Very high | 94.5 | Very high | 69 Ų | 69 | 97.9 Ų | 97.9 | 36% | 0.361 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -28.4 | 177.5 | -75.3 | 173 | 0 | 0 | 0 | 113.4 | R239 V240 E241 N247 | R239-L243 HydrophobicContact CG-CD1 4.45Å; R239-L243 WeakPolarHBondContact O-CB 3.43Å; R239-L243 VanDerWaalsContact O-CG 3.31Å; R239-L243 WeakPolarHBondContact O-CG 3.37Å; R239-L243 PolarHBondContact O-N 3.47Å; V240-L243 PolarHBondContact O-N 3.07Å; E241-L243 VanDerWaalsContact C-N 3.29Å; E241-L243 PolarHBondContact O-N 2.95Å; L243-N247 WeakPolarHBondContact O-CB 3.27Å; L243-N247 PolarHBondContact O-N 2.82Å; L243-N247 PolarHBondContact O-ND2 2.84Å |
| 244 | R | 95.8 | Very high | 94.5 | Very high | 169 Ų | 169 | 99 Ų | 99 | 64% | 0.638 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -72.6 | -42.1 | 172.8 | -75 | 168.7 | 176.4 | 167.5 | 0.4 | 110.7 | V240 E241 E242 N247 H248 | V240-R244 VanDerWaalsContact O-CG 3.26Å; V240-R244 WeakPolarHBondContact O-CG 3.32Å; V240-R244 PolarHBondContact O-N 3.27Å; E241-R244 CarbonylContact O-C 3.52Å; E241-R244 WeakPolarHBondContact O-CA 3.41Å; E241-R244 VanDerWaalsContact O-CB 3.32Å; E241-R244 WeakPolarHBondContact O-CB 3.2Å; E241-R244 PolarHBondContact O-N 3.49Å; E242-R244 VanDerWaalsContact C-N 3.32Å; E242-R244 PolarHBondContact O-N 2.72Å; R244-N247 PolarHBondContact O-N 2.89Å; R244-H248 WeakPolarHBondContact O-CB 3.26Å; R244-H248 PolarHBondContact O-N 3.29Å |
| 245 | E | 94.9 | Very high | 94.5 | Very high | 122 Ų | 122 | 96.9 Ų | 96.9 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.3 | -46 | 171.8 | -92.7 | 82.8 | -135.9 | 0 | 0 | 111.7 | E241 E242 N247 H248 V249 | E241-E245 PolarHBondContact O-N 3.35Å; E242-E245 PolarHBondContact O-N 3.4Å; E245-N247 VanDerWaalsContact C-N 3.34Å; E245-N247 PolarHBondContact O-N 3.37Å; E245-H248 WeakPolarHBondContact O-CB 3.47Å; E245-H248 PolarHBondContact O-N 2.94Å; E245-H248 VanDerWaalsContact O-N 3.13Å; E245-V249 WeakPolarHBondContact O-CG2 3.5Å; E245-V249 PolarHBondContact O-N 3.4Å |
| 246 | E | 94.4 | Very high | 94.4 | Very high | 94 Ų | 94 | 95 Ų | 95 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.5 | -44.2 | 175.4 | -74.7 | 174.3 | -157 | 0 | 0 | 111.4 | R239 E242 H248 V249 L250 | R239-E246 IonicContact NH1-OE1 3.81Å; R239-E246 PolarHBondContact NH1-OE1 3.33Å; E242-E246 WeakPolarHBondContact O-CB 3.41Å; E242-E246 WeakPolarHBondContact O-CG 3.27Å; E242-E246 PolarHBondContact O-N 3.43Å; E246-H248 PolarHBondContact O-N 3.36Å; E246-V249 PolarHBondContact O-N 2.95Å; E246-L250 WeakPolarHBondContact O-CG 3.13Å; E246-L250 PolarHBondContact O-N 2.79Å |
| 247 | N | 91.6 | Very high | 94.3 | Very high | 93 Ų | 93 | 95.3 Ų | 95.3 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 174.5 | -91.9 | -66.8 | 0 | 0 | 0 | 112.8 | L243 R244 E245 L250 L251 | L243-N247 WeakPolarHBondContact O-CB 3.27Å; L243-N247 PolarHBondContact O-N 2.82Å; L243-N247 PolarHBondContact O-ND2 2.84Å; R244-N247 PolarHBondContact O-N 2.89Å; E245-N247 VanDerWaalsContact C-N 3.34Å; E245-N247 PolarHBondContact O-N 3.37Å; N247-L250 PolarHBondContact O-N 2.72Å; N247-L251 WeakPolarHBondContact O-CG 3.4Å; N247-L251 PolarHBondContact O-N 3.45Å |
| 248 | H | 95.9 | Very high | 94.2 | Very high | 110 Ų | 110 | 94.1 Ų | 94.1 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 176.9 | -174.3 | 55.1 | 0 | 0 | 0 | 110.8 | R244 E245 E246 L250 L251 E252 | R244-H248 WeakPolarHBondContact O-CB 3.26Å; R244-H248 PolarHBondContact O-N 3.29Å; E245-H248 WeakPolarHBondContact O-CB 3.47Å; E245-H248 PolarHBondContact O-N 2.94Å; E245-H248 VanDerWaalsContact O-N 3.13Å; E246-H248 PolarHBondContact O-N 3.36Å; H248-L250 VanDerWaalsContact C-N 3.33Å; H248-L250 PolarHBondContact O-N 3.27Å; H248-L251 PolarHBondContact O-N 2.75Å; H248-L251 VanDerWaalsContact O-N 3.15Å; H248-E252 IonicContact CD2-OE1 2.79Å; H248-E252 IonicContact CE1-OE1 3.17Å; H248-E252 IonicContact NE2-OE1 2.77Å; H248-E252 PolarHBondContact NE2-OE1 2.87Å; H248-E252 WeakPolarHBondContact O-CG 3.35Å; H248-E252 PolarHBondContact O-N 3.18Å |
| 249 | V | 95 | Very high | 94.2 | Very high | 79 Ų | 79 | 96.5 Ų | 96.5 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -38 | 175.3 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | E245 E246 E252 T253 | E245-V249 WeakPolarHBondContact O-CG2 3.5Å; E245-V249 PolarHBondContact O-N 3.4Å; E246-V249 PolarHBondContact O-N 2.95Å; V249-E252 PolarHBondContact O-N 2.89Å; V249-T253 HydrophobicContact CG1-CG2 4.41Å; V249-T253 WeakPolarHBondContact O-CG2 3.36Å; V249-T253 PolarHBondContact O-N 3.32Å; V249-T253 PolarHBondContact O-OG1 2.89Å |
| 250 | L | 94.5 | Very high | 94.2 | Very high | 108 Ų | 108 | 97.8 Ų | 97.8 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.8 | -38.3 | 174.3 | -73.8 | 173.6 | 0 | 0 | 0 | 112.4 | E246 N247 H248 T253 K254 | E246-L250 WeakPolarHBondContact O-CG 3.13Å; E246-L250 PolarHBondContact O-N 2.79Å; N247-L250 PolarHBondContact O-N 2.72Å; H248-L250 VanDerWaalsContact C-N 3.33Å; H248-L250 PolarHBondContact O-N 3.27Å; L250-T253 WeakPolarHBondContact CA-OG1 3.35Å; L250-T253 PolarHBondContact O-OG1 2.91Å; L250-K254 VanDerWaalsContact O-CB 3.25Å; L250-K254 WeakPolarHBondContact O-CB 3.39Å; L250-K254 PolarHBondContact O-N 3.1Å |
| 251 | L | 94.1 | Very high | 94.1 | Very high | 112 Ų | 112 | 97.6 Ų | 97.6 | 59% | 0.586 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.2 | -39.1 | 174.7 | -73.1 | 172 | 0 | 0 | 0 | 112 | N247 H248 K254 G255 | N247-L251 WeakPolarHBondContact O-CG 3.4Å; N247-L251 PolarHBondContact O-N 3.45Å; H248-L251 PolarHBondContact O-N 2.75Å; H248-L251 VanDerWaalsContact O-N 3.15Å; L251-K254 PolarHBondContact O-N 3.39Å; L251-G255 PolarHBondContact O-N 3.47Å |
| 252 | E | 94.9 | Very high | 94 | Very high | 106 Ų | 106 | 95.3 Ų | 95.3 | 50% | 0.495 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 173.7 | -71.2 | -176.9 | 156.8 | 0 | 0 | 111.7 | H248 V249 K254 G255 L256 | H248-E252 IonicContact CD2-OE1 2.79Å; H248-E252 IonicContact CE1-OE1 3.17Å; H248-E252 IonicContact NE2-OE1 2.77Å; H248-E252 PolarHBondContact NE2-OE1 2.87Å; H248-E252 WeakPolarHBondContact O-CG 3.35Å; H248-E252 PolarHBondContact O-N 3.18Å; V249-E252 PolarHBondContact O-N 2.89Å; E252-K254 PolarHBondContact O-N 3.36Å; E252-G255 PolarHBondContact O-N 3.29Å; E252-G255 VanDerWaalsContact O-N 3.16Å; E252-L256 WeakPolarHBondContact O-CG 3.31Å; E252-L256 PolarHBondContact O-N 2.75Å |
| 253 | T | 93.4 | Very high | 94.1 | Very high | 61 Ų | 61 | 94.2 Ų | 94.2 | 37% | 0.374 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 177.3 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | V249 L250 L256 L257 | V249-T253 HydrophobicContact CG1-CG2 4.41Å; V249-T253 WeakPolarHBondContact O-CG2 3.36Å; V249-T253 PolarHBondContact O-N 3.32Å; V249-T253 PolarHBondContact O-OG1 2.89Å; L250-T253 WeakPolarHBondContact CA-OG1 3.35Å; L250-T253 PolarHBondContact O-OG1 2.91Å; T253-L256 PolarHBondContact O-N 2.81Å; T253-L257 WeakPolarHBondContact O-CG 3.06Å; T253-L257 PolarHBondContact O-N 3.43Å |
| 254 | K | 92.4 | Very high | 94.1 | Very high | 118 Ų | 118 | 95.2 Ų | 95.2 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 169.9 | -174.2 | -149.6 | 171 | -164.8 | 0 | 110.8 | L250 L251 E252 L256 L257 D258 | L250-K254 VanDerWaalsContact O-CB 3.25Å; L250-K254 WeakPolarHBondContact O-CB 3.39Å; L250-K254 PolarHBondContact O-N 3.1Å; L251-K254 PolarHBondContact O-N 3.39Å; E252-K254 PolarHBondContact O-N 3.36Å; K254-L256 VanDerWaalsContact C-N 3.33Å; K254-L256 PolarHBondContact O-N 2.82Å; K254-L257 PolarHBondContact O-N 3.45Å; K254-L257 VanDerWaalsContact O-N 3.11Å; K254-D258 VanDerWaalsContact CE-OD2 3.29Å; K254-D258 WeakPolarHBondContact CE-OD2 3.46Å; K254-D258 IonicContact NZ-OD2 3.41Å; K254-D258 PolarHBondContact O-N 3.33Å |
| 255 | G | 94.3 | Very high | 94 | Very high | 28 Ų | 28 | 96 Ų | 96 | 29% | 0.289 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.1 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L251 E252 L257 D258 D259 | L251-G255 PolarHBondContact O-N 3.47Å; E252-G255 PolarHBondContact O-N 3.29Å; E252-G255 VanDerWaalsContact O-N 3.16Å; G255-L257 VanDerWaalsContact C-N 3.33Å; G255-L257 PolarHBondContact O-N 3.44Å; G255-D258 PolarHBondContact O-N 2.86Å; G255-D259 PolarHBondContact O-N 3.26Å |
| 256 | L | 94.9 | Very high | 94 | Very high | 106 Ų | 106 | 96.2 Ų | 96.2 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.5 | -37.5 | 175.2 | -68.7 | 173.8 | 0 | 0 | 0 | 112.7 | E252 T253 K254 Q260 | E252-L256 WeakPolarHBondContact O-CG 3.31Å; E252-L256 PolarHBondContact O-N 2.75Å; T253-L256 PolarHBondContact O-N 2.81Å; K254-L256 VanDerWaalsContact C-N 3.33Å; K254-L256 PolarHBondContact O-N 2.82Å; L256-Q260 VanDerWaalsContact O-CG 3.27Å; L256-Q260 WeakPolarHBondContact O-CG 3.44Å; L256-Q260 PolarHBondContact O-N 3.35Å |
| 257 | L | 92.4 | Very high | 94.1 | Very high | 103 Ų | 103 | 99 Ų | 99 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.2 | -39.9 | 175 | -70.5 | 173.2 | 0 | 0 | 0 | 111.8 | T253 K254 G255 D259 Q260 V261 | T253-L257 WeakPolarHBondContact O-CG 3.06Å; T253-L257 PolarHBondContact O-N 3.43Å; K254-L257 PolarHBondContact O-N 3.45Å; K254-L257 VanDerWaalsContact O-N 3.11Å; G255-L257 VanDerWaalsContact C-N 3.33Å; G255-L257 PolarHBondContact O-N 3.44Å; L257-D259 VanDerWaalsContact C-N 3.33Å; L257-Q260 PolarHBondContact O-N 3.04Å; L257-V261 WeakPolarHBondContact O-CB 3.48Å; L257-V261 VanDerWaalsContact O-CG2 3.3Å; L257-V261 WeakPolarHBondContact O-CG2 3.42Å; L257-V261 PolarHBondContact O-N 2.9Å |
| 258 | D | 94.1 | Very high | 94.1 | Very high | 82 Ų | 82 | 99.5 Ų | 99.5 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 174.9 | -74 | -28.6 | 0 | 0 | 0 | 110.7 | K254 G255 V261 A262 | K254-D258 VanDerWaalsContact CE-OD2 3.29Å; K254-D258 WeakPolarHBondContact CE-OD2 3.46Å; K254-D258 IonicContact NZ-OD2 3.41Å; K254-D258 PolarHBondContact O-N 3.33Å; G255-D258 PolarHBondContact O-N 2.86Å; D258-V261 PolarHBondContact O-N 3.16Å; D258-A262 WeakPolarHBondContact O-CB 3.31Å; D258-A262 PolarHBondContact O-N 3.38Å |
| 259 | D | 95.2 | Very high | 94 | Very high | 110 Ų | 110 | 95.6 Ų | 95.6 | 59% | 0.588 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65 | -41.1 | 174.1 | -75 | -19.4 | 0 | 0 | 0 | 112.3 | G255 L257 A262 S263 | G255-D259 PolarHBondContact O-N 3.26Å; L257-D259 VanDerWaalsContact C-N 3.33Å; D259-A262 PolarHBondContact O-N 3.45Å; D259-S263 WeakPolarHBondContact O-CB 3.5Å; D259-S263 PolarHBondContact O-N 3.45Å |
| 260 | Q | 95.8 | Very high | 94.1 | Very high | 117 Ų | 117 | 95.7 Ų | 95.7 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 173.3 | -75.6 | 176.8 | 17.4 | 0 | 0 | 111.1 | L256 L257 A262 S263 L264 | L256-Q260 VanDerWaalsContact O-CG 3.27Å; L256-Q260 WeakPolarHBondContact O-CG 3.44Å; L256-Q260 PolarHBondContact O-N 3.35Å; L257-Q260 PolarHBondContact O-N 3.04Å; Q260-A262 VanDerWaalsContact C-N 3.34Å; Q260-A262 PolarHBondContact O-N 2.92Å; Q260-S263 WeakPolarHBondContact O-CB 3.22Å; Q260-S263 PolarHBondContact O-N 2.88Å; Q260-L264 WeakPolarHBondContact O-CB 3.45Å; Q260-L264 WeakPolarHBondContact O-CG 3.22Å; Q260-L264 PolarHBondContact O-N 2.88Å |
| 261 | V | 91.1 | Very high | 94 | Very high | 61 Ų | 61 | 93.7 Ų | 93.7 | 37% | 0.37 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 175.9 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | L257 D258 L264 R265 | L257-V261 WeakPolarHBondContact O-CB 3.48Å; L257-V261 VanDerWaalsContact O-CG2 3.3Å; L257-V261 WeakPolarHBondContact O-CG2 3.42Å; L257-V261 PolarHBondContact O-N 2.9Å; D258-V261 PolarHBondContact O-N 3.16Å; V261-L264 PolarHBondContact O-N 3.05Å; V261-R265 HydrophobicContact CG1-CG 4.41Å; V261-R265 WeakPolarHBondContact O-CB 3.29Å; V261-R265 VanDerWaalsContact O-CG 3.28Å; V261-R265 WeakPolarHBondContact O-CG 3.27Å; V261-R265 PolarHBondContact O-N 3.38Å |
| 262 | A | 93.5 | Very high | 93.9 | Very high | 53 Ų | 53 | 92.1 Ų | 92.1 | 44% | 0.438 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D258 D259 Q260 L264 R265 H266 | D258-A262 WeakPolarHBondContact O-CB 3.31Å; D258-A262 PolarHBondContact O-N 3.38Å; D259-A262 PolarHBondContact O-N 3.45Å; Q260-A262 VanDerWaalsContact C-N 3.34Å; Q260-A262 PolarHBondContact O-N 2.92Å; A262-L264 PolarHBondContact O-N 2.9Å; A262-R265 PolarHBondContact O-N 3.41Å; A262-H266 WeakPolarHBondContact O-CB 3.35Å; A262-H266 PolarHBondContact O-N 2.91Å |
| 263 | S | 95.1 | Very high | 93.9 | Very high | 78 Ų | 78 | 91.8 Ų | 91.8 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 174.9 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | D259 Q260 H266 R267 | D259-S263 WeakPolarHBondContact O-CB 3.5Å; D259-S263 PolarHBondContact O-N 3.45Å; Q260-S263 WeakPolarHBondContact O-CB 3.22Å; Q260-S263 PolarHBondContact O-N 2.88Å; S263-H266 PolarHBondContact O-N 2.86Å; S263-R267 WeakPolarHBondContact O-CB 3.19Å; S263-R267 PolarHBondContact O-N 3.35Å |
| 264 | L | 93.3 | Very high | 93.8 | Very high | 89 Ų | 89 | 96.8 Ų | 96.8 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 175.7 | -68.7 | 173.7 | 0 | 0 | 0 | 111.9 | Q260 V261 A262 R267 L268 | Q260-L264 WeakPolarHBondContact O-CB 3.45Å; Q260-L264 WeakPolarHBondContact O-CG 3.22Å; Q260-L264 PolarHBondContact O-N 2.88Å; V261-L264 PolarHBondContact O-N 3.05Å; A262-L264 PolarHBondContact O-N 2.9Å; L264-R267 PolarHBondContact O-N 2.89Å; L264-L268 WeakPolarHBondContact O-CB 3.46Å; L264-L268 PolarHBondContact O-N 3.3Å |
| 265 | R | 94.4 | Very high | 93.9 | Very high | 185 Ų | 185 | 95.6 Ų | 95.6 | 70% | 0.698 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 175 | -74.6 | 174.2 | -178.6 | 177.9 | 2.9 | 111.6 | V261 A262 L268 G269 | V261-R265 HydrophobicContact CG1-CG 4.41Å; V261-R265 WeakPolarHBondContact O-CB 3.29Å; V261-R265 VanDerWaalsContact O-CG 3.28Å; V261-R265 WeakPolarHBondContact O-CG 3.27Å; V261-R265 PolarHBondContact O-N 3.38Å; A262-R265 PolarHBondContact O-N 3.41Å; R265-L268 WeakPolarHBondContact O-CB 3.37Å; R265-L268 PolarHBondContact O-N 3.49Å; R265-G269 PolarHBondContact O-N 2.77Å |
| 266 | H | 94 | Very high | 93.8 | Very high | 128 Ų | 128 | 96.7 Ų | 96.7 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 174.6 | -178.3 | -75.8 | 0 | 0 | 0 | 111.4 | A262 S263 L268 G269 L270 | A262-H266 WeakPolarHBondContact O-CB 3.35Å; A262-H266 PolarHBondContact O-N 2.91Å; S263-H266 PolarHBondContact O-N 2.86Å; H266-L268 VanDerWaalsContact C-N 3.34Å; H266-L268 PolarHBondContact O-N 3.15Å; H266-G269 PolarHBondContact O-N 2.65Å; H266-L270 PolarHBondContact O-N 2.75Å |
| 267 | R | 95.4 | Very high | 93.8 | Very high | 153 Ų | 153 | 94.8 Ų | 94.8 | 58% | 0.577 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.3 | -36.9 | 176.7 | -174.7 | 174.4 | 58.3 | 77.4 | -1.5 | 112.6 | S263 L264 N271 | S263-R267 WeakPolarHBondContact O-CB 3.19Å; S263-R267 PolarHBondContact O-N 3.35Å; L264-R267 PolarHBondContact O-N 2.89Å; R267-N271 PolarHBondContact O-N 3.5Å |
| 268 | L | 93.3 | Very high | 93.9 | Very high | 103 Ų | 103 | 94 Ų | 94 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 173.2 | -168.4 | 90.3 | 0 | 0 | 0 | 110.7 | L264 R265 H266 L270 N271 N272 | L264-L268 WeakPolarHBondContact O-CB 3.46Å; L264-L268 PolarHBondContact O-N 3.3Å; R265-L268 WeakPolarHBondContact O-CB 3.37Å; R265-L268 PolarHBondContact O-N 3.49Å; H266-L268 VanDerWaalsContact C-N 3.34Å; H266-L268 PolarHBondContact O-N 3.15Å; L268-L270 PolarHBondContact O-N 3.34Å; L268-N271 WeakPolarHBondContact O-CB 3.32Å; L268-N271 PolarHBondContact O-N 2.98Å; L268-N271 VanDerWaalsContact O-N 3.08Å; L268-N272 VanDerWaalsContact O-CG 3.32Å; L268-N272 PolarHBondContact O-N 3.29Å; L268-N272 PolarHBondContact O-OD1 3.47Å |
| 269 | G | 94 | Very high | 93.9 | Very high | 28 Ų | 28 | 95.4 Ų | 95.4 | 29% | 0.289 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -55.9 | -50.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | R265 H266 N271 N272 D273 | R265-G269 PolarHBondContact O-N 2.77Å; H266-G269 PolarHBondContact O-N 2.65Å; G269-N271 PolarHBondContact O-N 3.48Å; G269-N272 WeakPolarHBondContact O-CB 3.37Å; G269-N272 PolarHBondContact O-N 2.87Å; G269-N272 VanDerWaalsContact O-N 3.1Å; G269-D273 PolarHBondContact O-N 3.12Å |
| 270 | L | 95.8 | Very high | 93.9 | Very high | 80 Ų | 80 | 97.7 Ų | 97.7 | 42% | 0.419 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.3 | -32.1 | 175 | -67.9 | 179.8 | 0 | 0 | 0 | 113.4 | H266 L268 R274 | H266-L270 PolarHBondContact O-N 2.75Å; L268-L270 PolarHBondContact O-N 3.34Å; L270-R274 VanDerWaalsContact O-CG 3.29Å; L270-R274 WeakPolarHBondContact O-CG 3.23Å; L270-R274 PolarHBondContact O-N 2.81Å; L270-R274 VanDerWaalsContact O-N 3.16Å |
| 271 | N | 92.2 | Very high | 93.8 | Very high | 67 Ų | 67 | 97.5 Ų | 97.5 | 36% | 0.358 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.3 | -41.1 | 175.6 | -169.4 | 62.1 | 0 | 0 | 0 | 111.2 | R267 L268 G269 D273 R274 E275 | R267-N271 PolarHBondContact O-N 3.5Å; L268-N271 WeakPolarHBondContact O-CB 3.32Å; L268-N271 PolarHBondContact O-N 2.98Å; L268-N271 VanDerWaalsContact O-N 3.08Å; G269-N271 PolarHBondContact O-N 3.48Å; N271-D273 VanDerWaalsContact C-N 3.32Å; N271-D273 PolarHBondContact O-N 2.8Å; N271-R274 PolarHBondContact O-N 3.26Å; N271-E275 PolarHBondContact ND2-OE1 3.26Å; N271-E275 WeakPolarHBondContact O-CG 3.44Å; N271-E275 PolarHBondContact O-N 3.29Å |
| 272 | N | 92.9 | Very high | 94.1 | Very high | 79 Ų | 79 | 100.4 Ų | 100.4 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 174.9 | -65.7 | -8.2 | 0 | 0 | 0 | 111.6 | L268 G269 R274 E275 A276 | L268-N272 VanDerWaalsContact O-CG 3.32Å; L268-N272 PolarHBondContact O-N 3.29Å; L268-N272 PolarHBondContact O-OD1 3.47Å; G269-N272 WeakPolarHBondContact O-CB 3.37Å; G269-N272 PolarHBondContact O-N 2.87Å; G269-N272 VanDerWaalsContact O-N 3.1Å; N272-R274 VanDerWaalsContact C-N 3.35Å; N272-E275 PolarHBondContact O-N 3.3Å; N272-A276 WeakPolarHBondContact O-CB 3.34Å; N272-A276 PolarHBondContact O-N 3Å |
| 273 | D | 94.9 | Very high | 94.1 | Very high | 98 Ų | 98 | 99.4 Ų | 99.4 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 174.9 | -65.2 | -25.4 | 0 | 0 | 0 | 111.2 | G269 N271 A276 D277 | G269-D273 PolarHBondContact O-N 3.12Å; N271-D273 VanDerWaalsContact C-N 3.32Å; N271-D273 PolarHBondContact O-N 2.8Å; D273-A276 PolarHBondContact O-N 3.37Å; D273-D277 WeakPolarHBondContact O-CB 3.39Å; D273-D277 VanDerWaalsContact O-CG 3.25Å; D273-D277 PolarHBondContact O-N 3.08Å |
| 274 | R | 91.2 | Very high | 94.2 | Very high | 166 Ų | 166 | 103 Ų | 103 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.3 | -38.7 | 174.9 | -72.9 | 171.8 | 178.2 | 175.5 | 0.6 | 112.4 | L270 N271 N272 D277 I278 | L270-R274 VanDerWaalsContact O-CG 3.29Å; L270-R274 WeakPolarHBondContact O-CG 3.23Å; L270-R274 PolarHBondContact O-N 2.81Å; L270-R274 VanDerWaalsContact O-N 3.16Å; N271-R274 PolarHBondContact O-N 3.26Å; N272-R274 VanDerWaalsContact C-N 3.35Å; R274-D277 PolarHBondContact O-N 2.9Å; R274-I278 WeakPolarHBondContact O-CB 3.37Å; R274-I278 WeakPolarHBondContact O-CG1 3.28Å; R274-I278 PolarHBondContact O-N 3.46Å |
| 275 | E | 93.8 | Very high | 94.2 | Very high | 94 Ų | 94 | 102.2 Ų | 102.2 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 174.5 | -75.5 | 174.2 | -168 | 0 | 0 | 111.2 | N271 N272 D277 I278 I279 | N271-E275 PolarHBondContact ND2-OE1 3.26Å; N271-E275 WeakPolarHBondContact O-CG 3.44Å; N271-E275 PolarHBondContact O-N 3.29Å; N272-E275 PolarHBondContact O-N 3.3Å; E275-D277 VanDerWaalsContact C-N 3.33Å; E275-D277 PolarHBondContact O-N 2.84Å; E275-I278 PolarHBondContact O-N 2.81Å; E275-I279 VanDerWaalsContact O-CG1 3.31Å; E275-I279 WeakPolarHBondContact O-CG1 3.43Å; E275-I279 PolarHBondContact O-N 2.88Å |
| 276 | A | 93.1 | Very high | 94.2 | Very high | 51 Ų | 51 | 95.3 Ų | 95.3 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N272 D273 I279 R280 | N272-A276 WeakPolarHBondContact O-CB 3.34Å; N272-A276 PolarHBondContact O-N 3Å; D273-A276 PolarHBondContact O-N 3.37Å; A276-I279 PolarHBondContact O-N 3.28Å; A276-R280 WeakPolarHBondContact O-CB 3.48Å; A276-R280 PolarHBondContact O-N 2.81Å |
| 277 | D | 94.8 | Very high | 94.3 | Very high | 65 Ų | 65 | 93.3 Ų | 93.3 | 35% | 0.348 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 174.6 | -73.1 | -3.7 | 0 | 0 | 0 | 112.2 | D273 R274 E275 R280 L281 | D273-D277 WeakPolarHBondContact O-CB 3.39Å; D273-D277 VanDerWaalsContact O-CG 3.25Å; D273-D277 PolarHBondContact O-N 3.08Å; R274-D277 PolarHBondContact O-N 2.9Å; E275-D277 VanDerWaalsContact C-N 3.33Å; E275-D277 PolarHBondContact O-N 2.84Å; D277-R280 PolarHBondContact O-N 3.37Å; D277-R280 IonicContact OD1-CZ 2.8Å; D277-R280 IonicContact OD1-NH1 3.4Å; D277-R280 PolarHBondContact OD1-NH1 3.37Å; D277-R280 IonicContact OD1-NH2 3.63Å; D277-R280 PolarHBondContact OD1-NH2 3.38Å; D277-R280 IonicContact OD2-NH2 2.65Å; D277-L281 WeakPolarHBondContact O-CB 3.33Å; D277-L281 VanDerWaalsContact O-CG 3.29Å; D277-L281 WeakPolarHBondContact O-CG 3.43Å; D277-L281 PolarHBondContact O-N 2.88Å |
| 278 | I | 93.4 | Very high | 94.2 | Very high | 87 Ų | 87 | 89.7 Ų | 89.7 | 45% | 0.446 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 174.3 | -73.3 | 163.9 | 0 | 0 | 0 | 110.3 | R274 E275 R280 L281 Q282 | R274-I278 WeakPolarHBondContact O-CB 3.37Å; R274-I278 WeakPolarHBondContact O-CG1 3.28Å; R274-I278 PolarHBondContact O-N 3.46Å; E275-I278 PolarHBondContact O-N 2.81Å; I278-R280 VanDerWaalsContact C-N 3.3Å; I278-R280 PolarHBondContact O-N 3.46Å; I278-L281 PolarHBondContact O-N 3.33Å; I278-Q282 HydrophobicContact CG2-CG 4.24Å; I278-Q282 WeakPolarHBondContact O-CB 3.41Å; I278-Q282 VanDerWaalsContact O-CG 3.23Å; I278-Q282 WeakPolarHBondContact O-CG 3.29Å; I278-Q282 PolarHBondContact O-N 2.82Å |
| 279 | I | 94.4 | Very high | 94.3 | Very high | 112 Ų | 112 | 90.6 Ų | 90.6 | 57% | 0.574 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61 | -42.4 | 177.6 | -68.1 | 165.8 | 0 | 0 | 0 | 110.3 | E275 A276 L281 Q282 G283 | E275-I279 VanDerWaalsContact O-CG1 3.31Å; E275-I279 WeakPolarHBondContact O-CG1 3.43Å; E275-I279 PolarHBondContact O-N 2.88Å; A276-I279 PolarHBondContact O-N 3.28Å; I279-L281 PolarHBondContact O-N 3.13Å; I279-Q282 PolarHBondContact O-N 2.89Å; I279-G283 PolarHBondContact O-N 2.87Å |
| 280 | R | 95.8 | Very high | 94.3 | Very high | 157 Ų | 157 | 95.1 Ų | 95.1 | 59% | 0.592 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.1 | -40.9 | 177.6 | -171.1 | 173.3 | 63.2 | -124.1 | -1.1 | 112.2 | A276 D277 I278 R284 | A276-R280 WeakPolarHBondContact O-CB 3.48Å; A276-R280 PolarHBondContact O-N 2.81Å; D277-R280 PolarHBondContact O-N 3.37Å; D277-R280 IonicContact OD1-CZ 2.8Å; D277-R280 IonicContact OD1-NH1 3.4Å; D277-R280 PolarHBondContact OD1-NH1 3.37Å; D277-R280 IonicContact OD1-NH2 3.63Å; D277-R280 PolarHBondContact OD1-NH2 3.38Å; D277-R280 IonicContact OD2-NH2 2.65Å; I278-R280 VanDerWaalsContact C-N 3.3Å; I278-R280 PolarHBondContact O-N 3.46Å; R280-R284 PolarHBondContact O-N 3.45Å |
| 281 | L | 94.7 | Very high | 94.1 | Very high | 114 Ų | 114 | 95.9 Ų | 95.9 | 60% | 0.597 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.8 | -41 | 175.3 | -72.6 | 172.9 | 0 | 0 | 0 | 111.9 | D277 I278 I279 G283 R284 V285 | D277-L281 WeakPolarHBondContact O-CB 3.33Å; D277-L281 VanDerWaalsContact O-CG 3.29Å; D277-L281 WeakPolarHBondContact O-CG 3.43Å; D277-L281 PolarHBondContact O-N 2.88Å; I278-L281 PolarHBondContact O-N 3.33Å; I279-L281 PolarHBondContact O-N 3.13Å; L281-G283 VanDerWaalsContact C-N 3.35Å; L281-R284 PolarHBondContact O-N 3.39Å; L281-V285 WeakPolarHBondContact O-CG2 3.37Å; L281-V285 PolarHBondContact O-N 3.37Å |
| 282 | Q | 96.5 | Very high | 94.2 | Very high | 121 Ų | 121 | 97 Ų | 97 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 174.1 | -75.4 | 172.6 | -14.5 | 0 | 0 | 111.4 | I278 I279 V285 A286 | I278-Q282 HydrophobicContact CG2-CG 4.24Å; I278-Q282 WeakPolarHBondContact O-CB 3.41Å; I278-Q282 VanDerWaalsContact O-CG 3.23Å; I278-Q282 WeakPolarHBondContact O-CG 3.29Å; I278-Q282 PolarHBondContact O-N 2.82Å; I279-Q282 PolarHBondContact O-N 2.89Å; Q282-V285 PolarHBondContact O-N 2.81Å; Q282-A286 PolarHBondContact O-N 3.45Å |
| 283 | G | 93.8 | Very high | 94.3 | Very high | 33 Ų | 33 | 98.3 Ų | 98.3 | 34% | 0.34 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I279 L281 V285 A286 D287 | I279-G283 PolarHBondContact O-N 2.87Å; L281-G283 VanDerWaalsContact C-N 3.35Å; G283-V285 VanDerWaalsContact C-N 3.3Å; G283-V285 PolarHBondContact O-N 2.91Å; G283-A286 PolarHBondContact O-N 2.96Å; G283-A286 VanDerWaalsContact O-N 3.15Å; G283-D287 PolarHBondContact O-N 2.84Å |
| 284 | R | 96.6 | Very high | 94.2 | Very high | 152 Ų | 152 | 98.9 Ų | 98.9 | 57% | 0.574 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.6 | -37.8 | 176.3 | 174.8 | 61 | 94.2 | 151.5 | 6.7 | 112.8 | R280 L281 L288 | R280-R284 PolarHBondContact O-N 3.45Å; L281-R284 PolarHBondContact O-N 3.39Å; R284-L288 HydrophobicContact CG-CD1 4.29Å; R284-L288 VanDerWaalsContact O-CG 3.31Å; R284-L288 WeakPolarHBondContact O-CG 3.42Å; R284-L288 PolarHBondContact O-N 3.46Å; R284-L288 VanDerWaalsContact O-N 3.1Å |
| 285 | V | 93.5 | Very high | 94.3 | Very high | 74 Ų | 74 | 96.8 Ų | 96.8 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 174.8 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | L281 Q282 G283 D287 L288 E289 | L281-V285 WeakPolarHBondContact O-CG2 3.37Å; L281-V285 PolarHBondContact O-N 3.37Å; Q282-V285 PolarHBondContact O-N 2.81Å; G283-V285 VanDerWaalsContact C-N 3.3Å; G283-V285 PolarHBondContact O-N 2.91Å; V285-D287 VanDerWaalsContact C-N 3.33Å; V285-D287 PolarHBondContact O-N 2.86Å; V285-L288 PolarHBondContact O-N 3.34Å; V285-E289 HydrophobicContact CG1-CG 4.31Å; V285-E289 WeakPolarHBondContact O-CG 3.42Å; V285-E289 PolarHBondContact O-N 3.36Å |
| 286 | A | 95 | Very high | 94.3 | Very high | 40 Ų | 40 | 100.4 Ų | 100.4 | 33% | 0.331 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q282 G283 E289 Q290 | Q282-A286 PolarHBondContact O-N 3.45Å; G283-A286 PolarHBondContact O-N 2.96Å; G283-A286 VanDerWaalsContact O-N 3.15Å; A286-E289 PolarHBondContact O-N 2.79Å; A286-Q290 WeakPolarHBondContact O-CG 3.26Å; A286-Q290 PolarHBondContact O-N 3.29Å |
| 287 | D | 95.2 | Very high | 94.3 | Very high | 85 Ų | 85 | 105.9 Ų | 105.9 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 174.8 | -67.7 | -27.1 | 0 | 0 | 0 | 111.9 | G283 V285 Q290 Q291 | G283-D287 PolarHBondContact O-N 2.84Å; V285-D287 VanDerWaalsContact C-N 3.33Å; V285-D287 PolarHBondContact O-N 2.86Å; D287-Q290 PolarHBondContact O-N 3.34Å; D287-Q291 VanDerWaalsContact O-CG 3.31Å; D287-Q291 WeakPolarHBondContact O-CG 3.43Å; D287-Q291 PolarHBondContact O-N 3.25Å |
| 288 | L | 93.9 | Very high | 94.3 | Very high | 78 Ų | 78 | 111 Ų | 111 | 41% | 0.408 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 176.5 | -72.9 | 171.5 | 0 | 0 | 0 | 111.7 | R284 V285 Q291 V292 | R284-L288 HydrophobicContact CG-CD1 4.29Å; R284-L288 VanDerWaalsContact O-CG 3.31Å; R284-L288 WeakPolarHBondContact O-CG 3.42Å; R284-L288 PolarHBondContact O-N 3.46Å; R284-L288 VanDerWaalsContact O-N 3.1Å; V285-L288 PolarHBondContact O-N 3.34Å; L288-Q291 PolarHBondContact O-N 3.47Å; L288-V292 VanDerWaalsContact O-CG2 3.31Å; L288-V292 WeakPolarHBondContact O-CG2 3.37Å; L288-V292 PolarHBondContact O-N 3.32Å |
| 289 | E | 94.6 | Very high | 94.3 | Very high | 121 Ų | 121 | 110.9 Ų | 110.9 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -43.1 | 174.2 | -74.3 | 176.7 | 171.1 | 0 | 0 | 111.4 | V285 A286 V292 L293 | V285-E289 HydrophobicContact CG1-CG 4.31Å; V285-E289 WeakPolarHBondContact O-CG 3.42Å; V285-E289 PolarHBondContact O-N 3.36Å; A286-E289 PolarHBondContact O-N 2.79Å; E289-V292 PolarHBondContact O-N 3.22Å; E289-L293 VanDerWaalsContact O-CG 3.31Å; E289-L293 WeakPolarHBondContact O-CG 3.3Å; E289-L293 PolarHBondContact O-N 2.92Å |
| 290 | Q | 93.4 | Very high | 94.3 | Very high | 123 Ų | 123 | 110.3 Ų | 110.3 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.7 | -41.4 | 173.3 | -72.5 | -174.9 | 19.5 | 0 | 0 | 111.9 | A286 D287 L293 L294 | A286-Q290 WeakPolarHBondContact O-CG 3.26Å; A286-Q290 PolarHBondContact O-N 3.29Å; D287-Q290 PolarHBondContact O-N 3.34Å; Q290-L293 PolarHBondContact O-N 3.42Å; Q290-L294 WeakPolarHBondContact O-CG 3.39Å; Q290-L294 PolarHBondContact O-N 2.81Å |
| 291 | Q | 93.1 | Very high | 94.1 | Very high | 96 Ų | 96 | 108.2 Ų | 108.2 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 174.6 | -73.8 | 172.1 | 12.7 | 0 | 0 | 111.5 | D287 L288 L293 L294 E295 | D287-Q291 VanDerWaalsContact O-CG 3.31Å; D287-Q291 WeakPolarHBondContact O-CG 3.43Å; D287-Q291 PolarHBondContact O-N 3.25Å; L288-Q291 PolarHBondContact O-N 3.47Å; Q291-L293 VanDerWaalsContact C-N 3.3Å; Q291-L293 PolarHBondContact O-N 2.78Å; Q291-L294 PolarHBondContact O-N 3.16Å; Q291-E295 WeakPolarHBondContact O-CB 3.46Å; Q291-E295 WeakPolarHBondContact O-CG 3.29Å; Q291-E295 PolarHBondContact O-N 2.85Å |
| 292 | V | 92.7 | Very high | 94 | Very high | 90 Ų | 90 | 107 Ų | 107 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -38.1 | 176.4 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | L288 E289 R296 | L288-V292 VanDerWaalsContact O-CG2 3.31Å; L288-V292 WeakPolarHBondContact O-CG2 3.37Å; L288-V292 PolarHBondContact O-N 3.32Å; E289-V292 PolarHBondContact O-N 3.22Å; V292-R296 WeakPolarHBondContact O-CB 3.47Å; V292-R296 PolarHBondContact O-N 3.36Å |
| 293 | L | 95.2 | Very high | 93.8 | Very high | 107 Ų | 107 | 106.2 Ų | 106.2 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67 | -42.7 | 175.2 | -72.9 | 172 | 0 | 0 | 0 | 112.5 | E289 Q290 Q291 R296 R297 | E289-L293 VanDerWaalsContact O-CG 3.31Å; E289-L293 WeakPolarHBondContact O-CG 3.3Å; E289-L293 PolarHBondContact O-N 2.92Å; Q290-L293 PolarHBondContact O-N 3.42Å; Q291-L293 VanDerWaalsContact C-N 3.3Å; Q291-L293 PolarHBondContact O-N 2.78Å; L293-R296 PolarHBondContact O-N 2.89Å; L293-R297 WeakPolarHBondContact O-CB 3.46Å; L293-R297 PolarHBondContact O-N 3.38Å |
| 294 | L | 94.3 | Very high | 93.7 | Very high | 110 Ų | 110 | 110 Ų | 110 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.1 | -43 | 176.2 | -71.2 | 173.3 | 0 | 0 | 0 | 111.3 | Q290 Q291 R297 R298 | Q290-L294 WeakPolarHBondContact O-CG 3.39Å; Q290-L294 PolarHBondContact O-N 2.81Å; Q291-L294 PolarHBondContact O-N 3.16Å; L294-R297 PolarHBondContact O-N 3.41Å; L294-R298 WeakPolarHBondContact O-CB 3.44Å; L294-R298 PolarHBondContact O-N 2.8Å |
| 295 | E | 92.3 | Very high | 93.4 | Very high | 122 Ų | 122 | 107.7 Ų | 107.7 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.9 | -44 | 174.1 | -74.9 | -179.5 | -179.6 | 0 | 0 | 111.6 | Q291 R297 R298 V299 | Q291-E295 WeakPolarHBondContact O-CB 3.46Å; Q291-E295 WeakPolarHBondContact O-CG 3.29Å; Q291-E295 PolarHBondContact O-N 2.85Å; E295-R297 VanDerWaalsContact C-N 3.33Å; E295-R297 PolarHBondContact O-N 3.25Å; E295-R298 CarbonylContact O-C 3.58Å; E295-R298 WeakPolarHBondContact O-CB 3.48Å; E295-R298 PolarHBondContact O-N 3.47Å; E295-R298 VanDerWaalsContact O-N 3.14Å; E295-V299 WeakPolarHBondContact O-CG2 3.27Å; E295-V299 PolarHBondContact O-N 2.78Å |
| 296 | R | 94 | Very high | 92.8 | Very high | 171 Ų | 171 | 108.6 Ų | 108.6 | 65% | 0.645 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.1 | -43 | 175.1 | -176 | 178.1 | 177.3 | -155.3 | -1.1 | 111.7 | V292 L293 R298 V299 Q300 | V292-R296 WeakPolarHBondContact O-CB 3.47Å; V292-R296 PolarHBondContact O-N 3.36Å; L293-R296 PolarHBondContact O-N 2.89Å; R296-R298 VanDerWaalsContact C-N 3.34Å; R296-V299 PolarHBondContact O-N 2.86Å; R296-Q300 WeakPolarHBondContact O-CB 3.31Å; R296-Q300 PolarHBondContact O-N 3.11Å |
| 297 | R | 94 | Very high | 92.4 | Very high | 166 Ų | 166 | 109.4 Ų | 109.4 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 175.1 | -171.7 | -178.5 | -78.9 | 170.8 | -4.6 | 111.1 | L293 L294 E295 Q300 Q301 | L293-R297 WeakPolarHBondContact O-CB 3.46Å; L293-R297 PolarHBondContact O-N 3.38Å; L294-R297 PolarHBondContact O-N 3.41Å; E295-R297 VanDerWaalsContact C-N 3.33Å; E295-R297 PolarHBondContact O-N 3.25Å; R297-Q300 PolarHBondContact O-N 3.22Å; R297-Q301 WeakPolarHBondContact O-CG 3.44Å; R297-Q301 PolarHBondContact O-N 2.85Å |
| 298 | R | 94.8 | Very high | 92.2 | Very high | 172 Ų | 172 | 112.4 Ų | 112.4 | 65% | 0.649 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.3 | -44.8 | 175.8 | -174.8 | 174.6 | 179.1 | 108.5 | 0.6 | 112 | L294 E295 R296 Q300 Q301 L302 | L294-R298 WeakPolarHBondContact O-CB 3.44Å; L294-R298 PolarHBondContact O-N 2.8Å; E295-R298 CarbonylContact O-C 3.58Å; E295-R298 WeakPolarHBondContact O-CB 3.48Å; E295-R298 PolarHBondContact O-N 3.47Å; E295-R298 VanDerWaalsContact O-N 3.14Å; R296-R298 VanDerWaalsContact C-N 3.34Å; R298-Q300 VanDerWaalsContact C-N 3.3Å; R298-Q300 PolarHBondContact O-N 2.85Å; R298-Q301 PolarHBondContact O-N 3.22Å; R298-L302 HydrophobicContact CG-CD1 4.33Å; R298-L302 VanDerWaalsContact O-CG 3.31Å; R298-L302 WeakPolarHBondContact O-CG 3.26Å; R298-L302 PolarHBondContact O-N 3.4Å |
| 299 | V | 92.7 | Very high | 91.8 | Very high | 84 Ų | 84 | 112.3 Ų | 112.3 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 174.6 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | E295 R296 L302 L303 | E295-V299 WeakPolarHBondContact O-CG2 3.27Å; E295-V299 PolarHBondContact O-N 2.78Å; R296-V299 PolarHBondContact O-N 2.86Å; V299-L302 PolarHBondContact O-N 2.76Å; V299-L303 HydrophobicContact CG1-CD1 4.05Å; V299-L303 HydrophobicContact CG1-CG 4.38Å; V299-L303 VanDerWaalsContact O-CG 3.32Å; V299-L303 WeakPolarHBondContact O-CG 3.26Å; V299-L303 PolarHBondContact O-N 3.49Å |
| 300 | Q | 93.1 | Very high | 91.4 | Very high | 101 Ų | 101 | 112.9 Ų | 112.9 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 178.2 | -171 | 160 | -12.1 | 0 | 0 | 112.4 | R296 R297 R298 L302 L303 E304 | R296-Q300 WeakPolarHBondContact O-CB 3.31Å; R296-Q300 PolarHBondContact O-N 3.11Å; R297-Q300 PolarHBondContact O-N 3.22Å; R298-Q300 VanDerWaalsContact C-N 3.3Å; R298-Q300 PolarHBondContact O-N 2.85Å; Q300-L302 VanDerWaalsContact C-N 3.34Å; Q300-L302 PolarHBondContact O-N 3.45Å; Q300-L303 PolarHBondContact O-N 3.42Å; Q300-E304 WeakPolarHBondContact O-CG 3.43Å; Q300-E304 PolarHBondContact O-N 3.02Å |
| 301 | Q | 93.2 | Very high | 90.8 | Very high | 112 Ų | 112 | 113.7 Ų | 113.7 | 52% | 0.523 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 172.1 | -73.8 | 172.6 | -12.8 | 0 | 0 | 111.9 | R297 R298 L303 E304 E305 | R297-Q301 WeakPolarHBondContact O-CG 3.44Å; R297-Q301 PolarHBondContact O-N 2.85Å; R298-Q301 PolarHBondContact O-N 3.22Å; Q301-L303 VanDerWaalsContact C-N 3.34Å; Q301-L303 PolarHBondContact O-N 3.15Å; Q301-E304 PolarHBondContact O-N 2.89Å; Q301-E305 VanDerWaalsContact O-CB 3.29Å; Q301-E305 WeakPolarHBondContact O-CB 3.32Å; Q301-E305 PolarHBondContact O-N 3.45Å |
| 302 | L | 91.6 | Very high | 90.3 | Very high | 88 Ų | 88 | 112.4 Ų | 112.4 | 46% | 0.461 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.5 | -34.3 | 176.6 | -71.7 | 171.6 | 0 | 0 | 0 | 112.6 | R298 V299 Q300 N306 | R298-L302 HydrophobicContact CG-CD1 4.33Å; R298-L302 VanDerWaalsContact O-CG 3.31Å; R298-L302 WeakPolarHBondContact O-CG 3.26Å; R298-L302 PolarHBondContact O-N 3.4Å; V299-L302 PolarHBondContact O-N 2.76Å; Q300-L302 VanDerWaalsContact C-N 3.34Å; Q300-L302 PolarHBondContact O-N 3.45Å; L302-N306 WeakPolarHBondContact O-CB 3.35Å; L302-N306 PolarHBondContact O-N 2.9Å |
| 303 | L | 92.2 | Very high | 89.7 | Confident | 105 Ų | 105 | 111.4 Ų | 111.4 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.4 | -40.5 | 174.7 | -74 | 171.4 | 0 | 0 | 0 | 112.2 | V299 Q300 Q301 N306 S307 | V299-L303 HydrophobicContact CG1-CD1 4.05Å; V299-L303 HydrophobicContact CG1-CG 4.38Å; V299-L303 VanDerWaalsContact O-CG 3.32Å; V299-L303 WeakPolarHBondContact O-CG 3.26Å; V299-L303 PolarHBondContact O-N 3.49Å; Q300-L303 PolarHBondContact O-N 3.42Å; Q301-L303 VanDerWaalsContact C-N 3.34Å; Q301-L303 PolarHBondContact O-N 3.15Å; L303-N306 PolarHBondContact O-N 2.94Å; L303-S307 WeakPolarHBondContact O-CB 3.43Å; L303-S307 PolarHBondContact O-N 3.18Å; L303-S307 PolarHBondContact O-OG 2.85Å |
| 304 | E | 91.3 | Very high | 89 | Confident | 114 Ų | 114 | 112.7 Ų | 112.7 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 174 | -73.3 | 169.8 | -166.9 | 0 | 0 | 111 | Q300 Q301 S307 R308 | Q300-E304 WeakPolarHBondContact O-CG 3.43Å; Q300-E304 PolarHBondContact O-N 3.02Å; Q301-E304 PolarHBondContact O-N 2.89Å; E304-S307 PolarHBondContact O-N 2.8Å; E304-R308 WeakPolarHBondContact O-CB 3.5Å; E304-R308 PolarHBondContact O-N 3.38Å |
| 305 | E | 90.7 | Very high | 88.2 | Confident | 102 Ų | 102 | 112.3 Ų | 112.3 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 174.5 | -169.9 | 177.4 | -178.3 | 0 | 0 | 111.4 | Q301 S307 R308 L309 | Q301-E305 VanDerWaalsContact O-CB 3.29Å; Q301-E305 WeakPolarHBondContact O-CB 3.32Å; Q301-E305 PolarHBondContact O-N 3.45Å; E305-S307 VanDerWaalsContact C-N 3.33Å; E305-S307 PolarHBondContact O-N 3.41Å; E305-R308 WeakPolarHBondContact O-CB 3.32Å; E305-R308 PolarHBondContact O-N 3.2Å; E305-R308 VanDerWaalsContact O-N 3.12Å; E305-L309 HydrophobicContact CG-CD1 4.13Å; E305-L309 HydrophobicContact CG-CG 4.46Å; E305-L309 WeakPolarHBondContact O-CB 3.48Å; E305-L309 WeakPolarHBondContact O-CG 3.24Å; E305-L309 PolarHBondContact O-N 2.85Å |
| 306 | N | 82.1 | Confident | 87.5 | Confident | 94 Ų | 94 | 112.7 Ų | 112.7 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59 | -43.6 | 173.7 | -103.1 | -13.2 | 0 | 0 | 0 | 111.7 | L302 L303 R308 L309 E310 | L302-N306 WeakPolarHBondContact O-CB 3.35Å; L302-N306 PolarHBondContact O-N 2.9Å; L303-N306 PolarHBondContact O-N 2.94Å; N306-R308 VanDerWaalsContact C-N 3.29Å; N306-R308 PolarHBondContact O-N 3.47Å; N306-L309 PolarHBondContact O-N 3.01Å; N306-E310 WeakPolarHBondContact O-CB 3.4Å; N306-E310 VanDerWaalsContact O-CG 3.3Å; N306-E310 WeakPolarHBondContact O-CG 3.25Å; N306-E310 PolarHBondContact O-N 2.89Å |
| 307 | S | 85.6 | Confident | 86.4 | Confident | 57 Ų | 57 | 110.8 Ų | 110.8 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -35.8 | 176.9 | -58 | 0 | 0 | 0 | 0 | 111.7 | L303 E304 E305 K311 | L303-S307 WeakPolarHBondContact O-CB 3.43Å; L303-S307 PolarHBondContact O-N 3.18Å; L303-S307 PolarHBondContact O-OG 2.85Å; E304-S307 PolarHBondContact O-N 2.8Å; E305-S307 VanDerWaalsContact C-N 3.33Å; E305-S307 PolarHBondContact O-N 3.41Å; S307-K311 WeakPolarHBondContact O-CB 3.36Å; S307-K311 VanDerWaalsContact O-CG 3.25Å; S307-K311 WeakPolarHBondContact O-CG 3.49Å; S307-K311 PolarHBondContact O-N 3.41Å |
| 308 | R | 91.9 | Very high | 85.3 | Confident | 147 Ų | 147 | 107.3 Ų | 107.3 | 56% | 0.555 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.3 | -45.5 | 175.8 | -161.6 | -168.1 | 99.1 | -170.7 | -0.2 | 110.9 | E304 E305 N306 K311 E312 | E304-R308 WeakPolarHBondContact O-CB 3.5Å; E304-R308 PolarHBondContact O-N 3.38Å; E305-R308 WeakPolarHBondContact O-CB 3.32Å; E305-R308 PolarHBondContact O-N 3.2Å; E305-R308 VanDerWaalsContact O-N 3.12Å; N306-R308 VanDerWaalsContact C-N 3.29Å; N306-R308 PolarHBondContact O-N 3.47Å; R308-K311 PolarHBondContact O-N 3.24Å; R308-E312 IonicContact CZ-OE1 3.74Å; R308-E312 IonicContact NE-OE1 3.64Å; R308-E312 PolarHBondContact NE-OE1 3.34Å; R308-E312 IonicContact NH2-OE1 2.77Å; R308-E312 PolarHBondContact NH2-OE1 2.86Å; R308-E312 VanDerWaalsContact NH2-OE1 3.17Å; R308-E312 IonicContact NH2-OE2 3.96Å; R308-E312 WeakPolarHBondContact O-CB 3.48Å; R308-E312 WeakPolarHBondContact O-CG 3.3Å; R308-E312 PolarHBondContact O-N 2.92Å |
| 309 | L | 85.9 | Confident | 84.1 | Confident | 77 Ų | 77 | 107.8 Ų | 107.8 | 40% | 0.403 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 177.6 | -70.3 | 173.8 | 0 | 0 | 0 | 111.9 | E305 N306 E312 S313 | E305-L309 HydrophobicContact CG-CD1 4.13Å; E305-L309 HydrophobicContact CG-CG 4.46Å; E305-L309 WeakPolarHBondContact O-CB 3.48Å; E305-L309 WeakPolarHBondContact O-CG 3.24Å; E305-L309 PolarHBondContact O-N 2.85Å; N306-L309 PolarHBondContact O-N 3.01Å; L309-E312 PolarHBondContact O-N 3.46Å; L309-S313 WeakPolarHBondContact O-CB 3.34Å; L309-S313 PolarHBondContact O-N 2.82Å |
| 310 | E | 84.7 | Confident | 82.5 | Confident | 133 Ų | 133 | 106.8 Ų | 106.8 | 62% | 0.621 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 172 | -79 | 177.7 | -176.1 | 0 | 0 | 111.2 | N306 F314 | N306-E310 WeakPolarHBondContact O-CB 3.4Å; N306-E310 VanDerWaalsContact O-CG 3.3Å; N306-E310 WeakPolarHBondContact O-CG 3.25Å; N306-E310 PolarHBondContact O-N 2.89Å; E310-F314 WeakPolarHBondContact O-CB 3.21Å; E310-F314 PolarHBondContact O-N 2.87Å |
| 311 | K | 81.1 | Confident | 80.8 | Confident | 140 Ų | 140 | 104.1 Ų | 104.1 | 61% | 0.609 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -45.8 | 173.6 | -74.5 | 172 | -174.9 | 177.4 | 0 | 112.2 | S307 R308 S313 F314 E315 | S307-K311 WeakPolarHBondContact O-CB 3.36Å; S307-K311 VanDerWaalsContact O-CG 3.25Å; S307-K311 WeakPolarHBondContact O-CG 3.49Å; S307-K311 PolarHBondContact O-N 3.41Å; R308-K311 PolarHBondContact O-N 3.24Å; K311-S313 VanDerWaalsContact C-N 3.35Å; K311-F314 PolarHBondContact O-N 2.85Å; K311-E315 VanDerWaalsContact O-CB 3.3Å; K311-E315 WeakPolarHBondContact O-CB 3.47Å; K311-E315 VanDerWaalsContact O-CG 3.31Å; K311-E315 WeakPolarHBondContact O-CG 3.42Å; K311-E315 PolarHBondContact O-N 3.25Å |
| 312 | E | 83.4 | Confident | 79 | Confident | 68 Ų | 68 | 102.3 Ų | 102.3 | 32% | 0.318 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 176.9 | -79.5 | 175.6 | -161 | 0 | 0 | 111.1 | R308 L309 E315 Q316 | R308-E312 IonicContact CZ-OE1 3.74Å; R308-E312 IonicContact NE-OE1 3.64Å; R308-E312 PolarHBondContact NE-OE1 3.34Å; R308-E312 IonicContact NH2-OE1 2.77Å; R308-E312 PolarHBondContact NH2-OE1 2.86Å; R308-E312 VanDerWaalsContact NH2-OE1 3.17Å; R308-E312 IonicContact NH2-OE2 3.96Å; R308-E312 WeakPolarHBondContact O-CB 3.48Å; R308-E312 WeakPolarHBondContact O-CG 3.3Å; R308-E312 PolarHBondContact O-N 2.92Å; L309-E312 PolarHBondContact O-N 3.46Å; E312-E315 PolarHBondContact O-N 2.91Å; E312-Q316 VanDerWaalsContact O-CB 3.26Å; E312-Q316 WeakPolarHBondContact O-CB 3.45Å; E312-Q316 WeakPolarHBondContact O-CG 3.27Å; E312-Q316 PolarHBondContact O-N 3.49Å |
| 313 | S | 78.6 | Confident | 76.9 | Confident | 70 Ų | 70 | 102.2 Ų | 102.2 | 49% | 0.49 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | L309 K311 Q316 Q317 | L309-S313 WeakPolarHBondContact O-CB 3.34Å; L309-S313 PolarHBondContact O-N 2.82Å; K311-S313 VanDerWaalsContact C-N 3.35Å; S313-Q316 PolarHBondContact O-N 2.89Å; S313-Q317 VanDerWaalsContact O-CB 3.22Å; S313-Q317 WeakPolarHBondContact O-CB 3.47Å; S313-Q317 PolarHBondContact O-N 3.29Å |
| 314 | F | 80.6 | Confident | 74.7 | Confident | 134 Ų | 134 | 101.1 Ų | 101.1 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.7 | -42.6 | 174.8 | -175.2 | -97.1 | 0 | 0 | 0 | 111.6 | E310 K311 Q317 N318 | E310-F314 WeakPolarHBondContact O-CB 3.21Å; E310-F314 PolarHBondContact O-N 2.87Å; K311-F314 PolarHBondContact O-N 2.85Å; F314-Q317 PolarHBondContact O-N 3.46Å; F314-N318 WeakPolarHBondContact O-CB 3.4Å; F314-N318 PolarHBondContact O-N 2.96Å |
| 315 | E | 78.9 | Confident | 72.7 | Confident | 102 Ų | 102 | 99.7 Ų | 99.7 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -38.2 | 175.4 | -78.2 | -179.8 | -170 | 0 | 0 | 112.2 | K311 E312 N318 R319 | K311-E315 VanDerWaalsContact O-CB 3.3Å; K311-E315 WeakPolarHBondContact O-CB 3.47Å; K311-E315 VanDerWaalsContact O-CG 3.31Å; K311-E315 WeakPolarHBondContact O-CG 3.42Å; K311-E315 PolarHBondContact O-N 3.25Å; E312-E315 PolarHBondContact O-N 2.91Å; E315-N318 PolarHBondContact O-N 3.23Å; E315-R319 WeakPolarHBondContact O-CB 3.18Å; E315-R319 VanDerWaalsContact O-CG 3.26Å; E315-R319 WeakPolarHBondContact O-CG 3.41Å; E315-R319 PolarHBondContact O-N 3.08Å |
| 316 | Q | 76.2 | Confident | 70.6 | Confident | 130 Ų | 130 | 98.7 Ų | 98.7 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.2 | -38.8 | 173.8 | -75.7 | 178 | 15.4 | 0 | 0 | 111.3 | E312 S313 N318 S320 | E312-Q316 VanDerWaalsContact O-CB 3.26Å; E312-Q316 WeakPolarHBondContact O-CB 3.45Å; E312-Q316 WeakPolarHBondContact O-CG 3.27Å; E312-Q316 PolarHBondContact O-N 3.49Å; S313-Q316 PolarHBondContact O-N 2.89Å; Q316-N318 VanDerWaalsContact C-N 3.35Å; Q316-S320 VanDerWaalsContact O-CB 3.24Å; Q316-S320 WeakPolarHBondContact O-CB 3.32Å; Q316-S320 PolarHBondContact O-N 3.39Å; Q316-S320 PolarHBondContact O-OG 2.92Å |
| 317 | Q | 72.5 | Confident | 68.8 | Low | 131 Ų | 131 | 97.7 Ų | 97.7 | 61% | 0.612 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.9 | -38.4 | 173.5 | -166.2 | 176.2 | 11.4 | 0 | 0 | 110.7 | S313 F314 S320 A321 | S313-Q317 VanDerWaalsContact O-CB 3.22Å; S313-Q317 WeakPolarHBondContact O-CB 3.47Å; S313-Q317 PolarHBondContact O-N 3.29Å; F314-Q317 PolarHBondContact O-N 3.46Å; Q317-S320 WeakPolarHBondContact CA-OG 3.43Å; Q317-S320 PolarHBondContact O-OG 3.04Å; Q317-A321 VanDerWaalsContact O-CB 3.27Å; Q317-A321 WeakPolarHBondContact O-CB 3.22Å; Q317-A321 PolarHBondContact O-N 2.99Å |
| 318 | N | 71.1 | Confident | 66.7 | Low | 92 Ų | 92 | 98.6 Ų | 98.6 | 49% | 0.492 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74.1 | -38.5 | 177 | -156.5 | 29.6 | 0 | 0 | 0 | 111.6 | F314 E315 Q316 A321 V322 | F314-N318 WeakPolarHBondContact O-CB 3.4Å; F314-N318 PolarHBondContact O-N 2.96Å; E315-N318 PolarHBondContact O-N 3.23Å; Q316-N318 VanDerWaalsContact C-N 3.35Å; N318-A321 PolarHBondContact O-N 3.1Å; N318-V322 VanDerWaalsContact O-CB 3.31Å; N318-V322 WeakPolarHBondContact O-CB 3.3Å; N318-V322 WeakPolarHBondContact O-CG2 3.43Å; N318-V322 PolarHBondContact O-N 2.61Å |
| 319 | R | 68.4 | Low | 64.2 | Low | 182 Ų | 182 | 98.2 Ų | 98.2 | 69% | 0.687 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67 | -36.9 | 171.8 | -79.3 | -178.8 | 178.6 | 160.2 | 5.1 | 111.8 | E315 V322 C323 | E315-R319 WeakPolarHBondContact O-CB 3.18Å; E315-R319 VanDerWaalsContact O-CG 3.26Å; E315-R319 WeakPolarHBondContact O-CG 3.41Å; E315-R319 PolarHBondContact O-N 3.08Å; R319-V322 PolarHBondContact O-N 3.25Å; R319-C323 WeakPolarHBondContact O-CB 3.37Å; R319-C323 PolarHBondContact O-N 2.74Å |
| 320 | S | 59.7 | Low | 61.7 | Low | 64 Ų | 64 | 102.1 Ų | 102.1 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -73.2 | -32.9 | 174.7 | 64.5 | 0 | 0 | 0 | 0 | 111.6 | Q316 Q317 S324 | Q316-S320 VanDerWaalsContact O-CB 3.24Å; Q316-S320 WeakPolarHBondContact O-CB 3.32Å; Q316-S320 PolarHBondContact O-N 3.39Å; Q316-S320 PolarHBondContact O-OG 2.92Å; Q317-S320 WeakPolarHBondContact CA-OG 3.43Å; Q317-S320 PolarHBondContact O-OG 3.04Å; S320-S324 VanDerWaalsContact O-CB 3.32Å; S320-S324 WeakPolarHBondContact O-CB 3.37Å; S320-S324 PolarHBondContact O-N 2.89Å; S320-S324 PolarHBondContact O-OG 3.29Å |
| 321 | A | 56.9 | Low | 59.1 | Low | 45 Ų | 45 | 106.4 Ų | 106.4 | 37% | 0.372 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.4 | -42.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q317 N318 S324 T325 | Q317-A321 VanDerWaalsContact O-CB 3.27Å; Q317-A321 WeakPolarHBondContact O-CB 3.22Å; Q317-A321 PolarHBondContact O-N 2.99Å; N318-A321 PolarHBondContact O-N 3.1Å; A321-S324 CarbonylContact O-C 3.48Å; A321-S324 WeakPolarHBondContact O-CA 3.38Å; A321-S324 WeakPolarHBondContact O-CB 3.39Å; A321-S324 PolarHBondContact O-N 3.22Å; A321-S324 VanDerWaalsContact O-N 3.16Å; A321-T325 WeakPolarHBondContact O-CG2 3.45Å; A321-T325 PolarHBondContact O-N 2.96Å; A321-T325 PolarHBondContact O-OG1 2.83Å |
| 322 | V | 56.5 | Low | 56.8 | Low | 74 Ų | 74 | 104.9 Ų | 104.9 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.5 | -33.1 | 176.3 | 170.1 | 0 | 0 | 0 | 0 | 112 | N318 R319 T325 S326 | N318-V322 VanDerWaalsContact O-CB 3.31Å; N318-V322 WeakPolarHBondContact O-CB 3.3Å; N318-V322 WeakPolarHBondContact O-CG2 3.43Å; N318-V322 PolarHBondContact O-N 2.61Å; R319-V322 PolarHBondContact O-N 3.25Å; V322-T325 WeakPolarHBondContact CA-OG1 3.48Å; V322-T325 PolarHBondContact O-N 3.48Å; V322-T325 PolarHBondContact O-OG1 3.5Å; V322-S326 VanDerWaalsContact O-CB 3.28Å; V322-S326 WeakPolarHBondContact O-CB 3.24Å; V322-S326 PolarHBondContact O-N 2.88Å; V322-S326 PolarHBondContact O-OG 3.46Å |
| 323 | C | 46.3 | Very low | 54.5 | Low | 85 Ų | 85 | 108 Ų | 108 | 57% | 0.574 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.6 | -33.3 | 170.5 | -158.8 | 0 | 0 | 0 | 0 | 110.9 | R319 T325 S326 A327 | R319-C323 WeakPolarHBondContact O-CB 3.37Å; R319-C323 PolarHBondContact O-N 2.74Å; C323-T325 VanDerWaalsContact C-N 3.34Å; C323-S326 PolarHBondContact O-N 3.24Å; C323-A327 WeakPolarHBondContact O-CB 3.45Å; C323-A327 PolarHBondContact O-N 3.47Å |
| 324 | S | 46.9 | Very low | 52.2 | Low | 82 Ų | 82 | 114.1 Ų | 114.1 | 57% | 0.573 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.2 | -31.6 | 170.7 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | S320 A321 S328 | S320-S324 VanDerWaalsContact O-CB 3.32Å; S320-S324 WeakPolarHBondContact O-CB 3.37Å; S320-S324 PolarHBondContact O-N 2.89Å; S320-S324 PolarHBondContact O-OG 3.29Å; A321-S324 CarbonylContact O-C 3.48Å; A321-S324 WeakPolarHBondContact O-CA 3.38Å; A321-S324 WeakPolarHBondContact O-CB 3.39Å; A321-S324 PolarHBondContact O-N 3.22Å; A321-S324 VanDerWaalsContact O-N 3.16Å; S324-S328 PolarHBondContact O-N 3.3Å; S324-S328 PolarHBondContact O-OG 2.83Å |
| 325 | T | 48.1 | Very low | 49.8 | Very low | 84 Ų | 84 | 110.9 Ų | 110.9 | 52% | 0.515 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -81 | -32.6 | 173.7 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | A321 V322 C323 S328 | A321-T325 WeakPolarHBondContact O-CG2 3.45Å; A321-T325 PolarHBondContact O-N 2.96Å; A321-T325 PolarHBondContact O-OG1 2.83Å; V322-T325 WeakPolarHBondContact CA-OG1 3.48Å; V322-T325 PolarHBondContact O-N 3.48Å; V322-T325 PolarHBondContact O-OG1 3.5Å; C323-T325 VanDerWaalsContact C-N 3.34Å; T325-S328 WeakPolarHBondContact CA-OG 3.34Å; T325-S328 PolarHBondContact O-N 3.46Å; T325-S328 PolarHBondContact O-OG 2.8Å; T325-S328 VanDerWaalsContact O-OG 3.14Å |
| 326 | S | 46.5 | Very low | 47.6 | Very low | 82 Ų | 82 | 113.7 Ų | 113.7 | 57% | 0.573 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -78.5 | -25.8 | 176.2 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | V322 C323 S328 | V322-S326 VanDerWaalsContact O-CB 3.28Å; V322-S326 WeakPolarHBondContact O-CB 3.24Å; V322-S326 PolarHBondContact O-N 2.88Å; V322-S326 PolarHBondContact O-OG 3.46Å; C323-S326 PolarHBondContact O-N 3.24Å; S326-S328 VanDerWaalsContact C-N 3.34Å |
| 327 | A | 44.1 | Very low | 45.5 | Very low | 72 Ų | 72 | 117.7 Ų | 117.7 | 60% | 0.595 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -81.4 | -10.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | C323 | C323-A327 WeakPolarHBondContact O-CB 3.45Å; C323-A327 PolarHBondContact O-N 3.47Å |
| 328 | S | 41.6 | Very low | 43.8 | Very low | 76 Ų | 76 | 117.6 Ų | 117.6 | 53% | 0.531 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -95.4 | -5.3 | 174.1 | 43.4 | 0 | 0 | 0 | 0 | 114.3 | S324 T325 S326 | S324-S328 PolarHBondContact O-N 3.3Å; S324-S328 PolarHBondContact O-OG 2.83Å; T325-S328 WeakPolarHBondContact CA-OG 3.34Å; T325-S328 PolarHBondContact O-N 3.46Å; T325-S328 PolarHBondContact O-OG 2.8Å; T325-S328 VanDerWaalsContact O-OG 3.14Å; S326-S328 VanDerWaalsContact C-N 3.34Å |
| 329 | N | 39.6 | Very low | 42.1 | Very low | 140 Ų | 140 | 120.1 Ų | 120.1 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -103.7 | 1.6 | -176.1 | -117.3 | 49.5 | 0 | 0 | 0 | 116.3 | ||
| 330 | D | 33.5 | Very low | 40.6 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 85% | 0.85 | 68% | 0.681 | S | S | * | * | trans | -139.2 | 69.1 | 163 | -92.3 | -34.6 | 0 | 0 | 0 | 110.3 | ||||
| 331 | R | 30.8 | Very low | 39.6 | Very low | 222 Ų | 222 | 127.6 Ų | 127.6 | 84% | 0.838 | 70% | 0.7 | S | S | * | * | trans | -94.5 | 102.3 | 151.5 | -92.5 | -178.3 | 174.1 | -125.7 | 0.4 | 106.7 | ||||
| 332 | S | 32.2 | Very low | 39 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | trans | 171.2 | 95.8 | 147.4 | -77 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 333 | T | 35.2 | Very low | 38.6 | Very low | 133 Ų | 133 | 134 Ų | 134 | 82% | 0.816 | 73% | 0.73 | S | S | * | * | 155.7 | 106.9 | 128.5 | 46.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 334 | E | 31.4 | Very low | 38.5 | Very low | 198 Ų | 198 | 136.6 Ų | 136.6 | 93% | 0.925 | 74% | 0.739 | S | S | * | * | trans | 60.3 | 132.5 | 147.5 | -48.5 | -159 | 172.4 | 0 | 0 | 118.4 | ||||
| 335 | G | 30.4 | Very low | 38.5 | Very low | 67 Ų | 67 | 141.5 Ų | 141.5 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | cis | 154.6 | 119.4 | 17.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 336 | E | 32.3 | Very low | 38.7 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | trans | 63.1 | 107.6 | 150.6 | -56.4 | -169 | 136.8 | 0 | 0 | 121.6 | ||||
| 337 | R | 31.5 | Very low | 38.7 | Very low | 213 Ų | 213 | 142.3 Ų | 142.3 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | 61.8 | 101.6 | 126.7 | -59.7 | 173.3 | -175.6 | -179.6 | 3.7 | 117.4 | |||||
| 338 | T | 37.8 | Very low | 39 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | -170.3 | 142.5 | 121.8 | 21.4 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 339 | D | 34.2 | Very low | 39.6 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | trans | 78.7 | 66.7 | 158 | -48.8 | -17.4 | 0 | 0 | 0 | 117.8 | D341 | D339-D341 VanDerWaalsContact C-N 3.33Å; D339-D341 PolarHBondContact O-N 2.93Å; D339-D341 VanDerWaalsContact O-N 3.11Å | ||
| 340 | R | 36.7 | Very low | 40.1 | Very low | 244 Ų | 244 | 140.5 Ų | 140.5 | 92% | 0.921 | 73% | 0.727 | S | S | * | * | trans | -54.3 | 100.6 | 136.1 | -82.1 | -179.6 | 171 | -177.3 | -3.6 | 107.5 | ||||
| 341 | D | 39.2 | Very low | 41.1 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | trans | 177.2 | 69.2 | 153.2 | -86.2 | -18.2 | 0 | 0 | 0 | 109.7 | D339 | D339-D341 VanDerWaalsContact C-N 3.33Å; D339-D341 PolarHBondContact O-N 2.93Å; D339-D341 VanDerWaalsContact O-N 3.11Å | ||
| 342 | N | 44.9 | Very low | 42.4 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 68% | 0.679 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -156.7 | 4.3 | 160.8 | -142.5 | 2.8 | 0 | 0 | 0 | 116 | ||
| 343 | V | 48.3 | Very low | 43.7 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -87.2 | -13.2 | 179.9 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 344 | D | 43 | Very low | 45.2 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -84.1 | -10.1 | 176.2 | -91.2 | -21.3 | 0 | 0 | 0 | 115 | S348 | D344-S348 WeakPolarHBondContact O-CB 3.35Å; D344-S348 PolarHBondContact O-N 3.28Å |
| 345 | R | 47.5 | Very low | 47.3 | Very low | 185 Ų | 185 | 124.4 Ų | 124.4 | 70% | 0.698 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.4 | -25.4 | 176.3 | -86.2 | -175.3 | 164.2 | -146.3 | -4.6 | 114.3 | N349 | R345-N349 WeakPolarHBondContact O-CB 3.3Å; R345-N349 PolarHBondContact O-N 2.79Å; R345-N349 VanDerWaalsContact O-N 3.1Å; R345-N349 PolarHBondContact O-ND2 3.49Å; R345-N349 PolarHBondContact O-OD1 3.08Å |
| 346 | S | 51.3 | Low | 49.3 | Very low | 87 Ų | 87 | 127.8 Ų | 127.8 | 61% | 0.608 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.6 | -31.7 | 179.2 | 179.9 | 0 | 0 | 0 | 0 | 113 | ||
| 347 | V | 48.3 | Very low | 51.2 | Low | 96 Ų | 96 | 122.6 Ų | 122.6 | 58% | 0.582 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -90.3 | -31.6 | 177.7 | -172.8 | 0 | 0 | 0 | 0 | 110.6 | L350 C351 | V347-L350 PolarHBondContact O-N 3.2Å; V347-C351 PolarHBondContact O-N 3.04Å |
| 348 | S | 50.5 | Low | 53.2 | Low | 54 Ų | 54 | 116.8 Ų | 116.8 | 38% | 0.378 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61 | -43.4 | 167.8 | -164.9 | 0 | 0 | 0 | 0 | 111 | D344 L350 C351 D352 | D344-S348 WeakPolarHBondContact O-CB 3.35Å; D344-S348 PolarHBondContact O-N 3.28Å; S348-L350 VanDerWaalsContact C-N 3.28Å; S348-L350 PolarHBondContact O-N 2.97Å; S348-C351 CarbonylContact O-C 3.5Å; S348-C351 PolarHBondContact O-N 3.32Å; S348-C351 VanDerWaalsContact O-N 3.16Å; S348-D352 VanDerWaalsContact C-OD2 3.27Å; S348-D352 WeakPolarHBondContact O-CB 3.31Å; S348-D352 PolarHBondContact O-N 2.77Å; S348-D352 PolarHBondContact OG-OD2 3.44Å |
| 349 | N | 53.3 | Low | 55 | Low | 92 Ų | 92 | 113.2 Ų | 113.2 | 49% | 0.492 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.1 | -28.5 | -179.5 | -73.5 | 0.5 | 0 | 0 | 0 | 114.4 | R345 Q353 | R345-N349 WeakPolarHBondContact O-CB 3.3Å; R345-N349 PolarHBondContact O-N 2.79Å; R345-N349 VanDerWaalsContact O-N 3.1Å; R345-N349 PolarHBondContact O-ND2 3.49Å; R345-N349 PolarHBondContact O-OD1 3.08Å; N349-Q353 VanDerWaalsContact O-CB 3.25Å; N349-Q353 WeakPolarHBondContact O-CB 3.32Å; N349-Q353 WeakPolarHBondContact O-CG 3.19Å; N349-Q353 PolarHBondContact O-N 2.88Å |
| 350 | L | 49 | Very low | 57 | Low | 103 Ų | 103 | 108.9 Ų | 108.9 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -79.4 | -40 | 174 | -86.9 | 165 | 0 | 0 | 0 | 111.8 | V347 S348 D352 Q353 L354 | V347-L350 PolarHBondContact O-N 3.2Å; S348-L350 VanDerWaalsContact C-N 3.28Å; S348-L350 PolarHBondContact O-N 2.97Å; L350-D352 VanDerWaalsContact C-N 3.28Å; L350-Q353 PolarHBondContact O-N 2.78Å; L350-L354 VanDerWaalsContact O-CB 3.32Å; L350-L354 WeakPolarHBondContact O-CB 3.49Å; L350-L354 PolarHBondContact O-N 2.78Å |
| 351 | C | 55.2 | Low | 59 | Low | 74 Ų | 74 | 104 Ų | 104 | 50% | 0.5 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.5 | -38.2 | 171 | -105.3 | 0 | 0 | 0 | 0 | 111.4 | V347 S348 N355 | V347-C351 PolarHBondContact O-N 3.04Å; S348-C351 CarbonylContact O-C 3.5Å; S348-C351 PolarHBondContact O-N 3.32Å; S348-C351 VanDerWaalsContact O-N 3.16Å; C351-N355 WeakPolarHBondContact O-CB 3.28Å; C351-N355 PolarHBondContact O-N 3.31Å |
| 352 | D | 59.3 | Low | 60.9 | Low | 79 Ų | 79 | 101 Ų | 101 | 42% | 0.422 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.1 | -40.8 | 176.5 | -64 | -33.7 | 0 | 0 | 0 | 110 | S348 L350 N355 E356 | S348-D352 VanDerWaalsContact C-OD2 3.27Å; S348-D352 WeakPolarHBondContact O-CB 3.31Å; S348-D352 PolarHBondContact O-N 2.77Å; S348-D352 PolarHBondContact OG-OD2 3.44Å; L350-D352 VanDerWaalsContact C-N 3.28Å; D352-N355 PolarHBondContact O-N 3.49Å; D352-E356 WeakPolarHBondContact O-CB 3.47Å; D352-E356 PolarHBondContact O-N 2.92Å |
| 353 | Q | 58.5 | Low | 62.5 | Low | 133 Ų | 133 | 100.1 Ų | 100.1 | 62% | 0.621 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.5 | -38.4 | 172.9 | -80.1 | 175.7 | -4.5 | 0 | 0 | 113.1 | N349 L350 S357 | N349-Q353 VanDerWaalsContact O-CB 3.25Å; N349-Q353 WeakPolarHBondContact O-CB 3.32Å; N349-Q353 WeakPolarHBondContact O-CG 3.19Å; N349-Q353 PolarHBondContact O-N 2.88Å; L350-Q353 PolarHBondContact O-N 2.78Å; Q353-S357 VanDerWaalsContact O-CB 3.23Å; Q353-S357 WeakPolarHBondContact O-CB 3.45Å; Q353-S357 PolarHBondContact O-N 2.78Å |
| 354 | L | 67 | Low | 63.9 | Low | 101 Ų | 101 | 102.5 Ų | 102.5 | 53% | 0.529 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.6 | -43.2 | 174.5 | -100.7 | 155.6 | 0 | 0 | 0 | 111 | L350 E356 S357 I358 | L350-L354 VanDerWaalsContact O-CB 3.32Å; L350-L354 WeakPolarHBondContact O-CB 3.49Å; L350-L354 PolarHBondContact O-N 2.78Å; L354-E356 VanDerWaalsContact C-N 3.35Å; L354-S357 PolarHBondContact O-N 3.36Å; L354-I358 HydrophobicContact CD2-CD1 4.29Å; L354-I358 WeakPolarHBondContact O-CB 3.3Å; L354-I358 WeakPolarHBondContact O-CD1 3.35Å; L354-I358 WeakPolarHBondContact O-CG1 3.19Å; L354-I358 PolarHBondContact O-N 2.85Å |
| 355 | N | 74.3 | Confident | 65.5 | Low | 96 Ų | 96 | 100.9 Ų | 100.9 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 174.1 | -88.6 | -0.2 | 0 | 0 | 0 | 111.5 | C351 D352 I358 S359 | C351-N355 WeakPolarHBondContact O-CB 3.28Å; C351-N355 PolarHBondContact O-N 3.31Å; D352-N355 PolarHBondContact O-N 3.49Å; N355-I358 PolarHBondContact O-N 2.8Å; N355-S359 WeakPolarHBondContact O-CA 3.43Å; N355-S359 WeakPolarHBondContact O-CB 3.35Å; N355-S359 PolarHBondContact O-N 2.84Å; N355-S359 PolarHBondContact O-OG 3.28Å |
| 356 | E | 73.1 | Confident | 66.8 | Low | 138 Ų | 138 | 96.6 Ų | 96.6 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.1 | -41.6 | 175 | -163.6 | 72.6 | -141.8 | 0 | 0 | 110.2 | D352 L354 S359 A360 | D352-E356 WeakPolarHBondContact O-CB 3.47Å; D352-E356 PolarHBondContact O-N 2.92Å; L354-E356 VanDerWaalsContact C-N 3.35Å; E356-S359 PolarHBondContact O-N 3.28Å; E356-A360 WeakPolarHBondContact O-CB 3.33Å; E356-A360 PolarHBondContact O-N 2.85Å |
| 357 | S | 73.4 | Confident | 68 | Low | 52 Ų | 52 | 97.6 Ų | 97.6 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 175.1 | 153.3 | 0 | 0 | 0 | 0 | 112.5 | Q353 L354 K361 | Q353-S357 VanDerWaalsContact O-CB 3.23Å; Q353-S357 WeakPolarHBondContact O-CB 3.45Å; Q353-S357 PolarHBondContact O-N 2.78Å; L354-S357 PolarHBondContact O-N 3.36Å; S357-K361 WeakPolarHBondContact O-CB 3.35Å; S357-K361 WeakPolarHBondContact O-CG 3.4Å; S357-K361 PolarHBondContact O-N 3.5Å |
| 358 | I | 73 | Confident | 69.6 | Low | 91 Ų | 91 | 96.2 Ų | 96.2 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.8 | -42.9 | 177.3 | -68.7 | 165.3 | 0 | 0 | 0 | 109.7 | L354 N355 K361 L362 | L354-I358 HydrophobicContact CD2-CD1 4.29Å; L354-I358 WeakPolarHBondContact O-CB 3.3Å; L354-I358 WeakPolarHBondContact O-CD1 3.35Å; L354-I358 WeakPolarHBondContact O-CG1 3.19Å; L354-I358 PolarHBondContact O-N 2.85Å; N355-I358 PolarHBondContact O-N 2.8Å; I358-K361 PolarHBondContact O-N 2.82Å; I358-L362 VanDerWaalsContact O-CB 3.26Å; I358-L362 WeakPolarHBondContact O-CB 3.48Å; I358-L362 PolarHBondContact O-N 3.36Å |
| 359 | S | 75.6 | Confident | 70.9 | Confident | 55 Ų | 55 | 98 Ų | 98 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 176.3 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | N355 E356 L362 L363 | N355-S359 WeakPolarHBondContact O-CA 3.43Å; N355-S359 WeakPolarHBondContact O-CB 3.35Å; N355-S359 PolarHBondContact O-N 2.84Å; N355-S359 PolarHBondContact O-OG 3.28Å; E356-S359 PolarHBondContact O-N 3.28Å; S359-L362 PolarHBondContact O-N 2.86Å; S359-L363 VanDerWaalsContact O-CB 3.29Å; S359-L363 WeakPolarHBondContact O-CB 3.35Å; S359-L363 PolarHBondContact O-N 3.32Å |
| 360 | A | 74.9 | Confident | 72.1 | Confident | 54 Ų | 54 | 99.4 Ų | 99.4 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E356 R364 | E356-A360 WeakPolarHBondContact O-CB 3.33Å; E356-A360 PolarHBondContact O-N 2.85Å; A360-R364 WeakPolarHBondContact O-CB 3.33Å; A360-R364 PolarHBondContact O-N 3.3Å |
| 361 | K | 78.9 | Confident | 73.5 | Confident | 142 Ų | 142 | 100.1 Ų | 100.1 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.8 | -39.8 | 172.7 | -78.2 | -179.8 | 179.2 | 177.9 | 0 | 112.2 | S357 I358 R364 L365 | S357-K361 WeakPolarHBondContact O-CB 3.35Å; S357-K361 WeakPolarHBondContact O-CG 3.4Å; S357-K361 PolarHBondContact O-N 3.5Å; I358-K361 PolarHBondContact O-N 2.82Å; K361-R364 PolarHBondContact O-N 2.87Å; K361-L365 WeakPolarHBondContact O-CB 3.2Å; K361-L365 WeakPolarHBondContact O-CG 3.38Å; K361-L365 PolarHBondContact O-N 3.42Å |
| 362 | L | 78.9 | Confident | 74 | Confident | 96 Ų | 96 | 101.2 Ų | 101.2 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 175.9 | -171.6 | 70.7 | 0 | 0 | 0 | 110.3 | I358 S359 R364 L365 E366 | I358-L362 VanDerWaalsContact O-CB 3.26Å; I358-L362 WeakPolarHBondContact O-CB 3.48Å; I358-L362 PolarHBondContact O-N 3.36Å; S359-L362 PolarHBondContact O-N 2.86Å; L362-R364 VanDerWaalsContact C-N 3.31Å; L362-R364 PolarHBondContact O-N 2.99Å; L362-L365 CarbonylContact O-C 3.59Å; L362-L365 PolarHBondContact O-N 3.29Å; L362-E366 VanDerWaalsContact O-CB 3.3Å; L362-E366 WeakPolarHBondContact O-CB 3.45Å; L362-E366 VanDerWaalsContact O-CG 3.27Å; L362-E366 WeakPolarHBondContact O-CG 3.45Å; L362-E366 PolarHBondContact O-N 3.37Å |
| 363 | L | 79.1 | Confident | 74.5 | Confident | 108 Ų | 108 | 104.4 Ų | 104.4 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.6 | -37.9 | 173.8 | -93.2 | 152.8 | 0 | 0 | 0 | 112.7 | S359 F367 | S359-L363 VanDerWaalsContact O-CB 3.29Å; S359-L363 WeakPolarHBondContact O-CB 3.35Å; S359-L363 PolarHBondContact O-N 3.32Å; L363-F367 WeakPolarHBondContact O-CB 3.49Å; L363-F367 PolarHBondContact O-N 3.43Å |
| 364 | R | 78.4 | Confident | 75.1 | Confident | 176 Ų | 176 | 103.6 Ų | 103.6 | 66% | 0.664 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.1 | -47.2 | 175.7 | -165.3 | 71.8 | 175.5 | -154.8 | -1 | 111.4 | A360 K361 L362 E366 F367 D368 | A360-R364 WeakPolarHBondContact O-CB 3.33Å; A360-R364 PolarHBondContact O-N 3.3Å; K361-R364 PolarHBondContact O-N 2.87Å; L362-R364 VanDerWaalsContact C-N 3.31Å; L362-R364 PolarHBondContact O-N 2.99Å; R364-E366 VanDerWaalsContact C-N 3.3Å; R364-E366 PolarHBondContact O-N 2.86Å; R364-F367 PolarHBondContact O-N 2.78Å; R364-D368 WeakPolarHBondContact O-CB 3.34Å; R364-D368 PolarHBondContact O-N 3.37Å |
| 365 | L | 75.3 | Confident | 74.9 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.4 | -30.2 | 176.3 | -73.4 | 172 | 0 | 0 | 0 | 112.4 | K361 L362 N369 | K361-L365 WeakPolarHBondContact O-CB 3.2Å; K361-L365 WeakPolarHBondContact O-CG 3.38Å; K361-L365 PolarHBondContact O-N 3.42Å; L362-L365 CarbonylContact O-C 3.59Å; L362-L365 PolarHBondContact O-N 3.29Å; L365-N369 WeakPolarHBondContact O-CB 3.47Å; L365-N369 PolarHBondContact O-N 2.84Å; L365-N369 PolarHBondContact O-ND2 3.48Å |
| 366 | E | 76.3 | Confident | 74.2 | Confident | 95 Ų | 95 | 105.1 Ų | 105.1 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.1 | -37.6 | 171.7 | -78.9 | 179.3 | 176.3 | 0 | 0 | 111.8 | L362 R364 R370 | L362-E366 VanDerWaalsContact O-CB 3.3Å; L362-E366 WeakPolarHBondContact O-CB 3.45Å; L362-E366 VanDerWaalsContact O-CG 3.27Å; L362-E366 WeakPolarHBondContact O-CG 3.45Å; L362-E366 PolarHBondContact O-N 3.37Å; R364-E366 VanDerWaalsContact C-N 3.3Å; R364-E366 PolarHBondContact O-N 2.86Å; E366-R370 WeakPolarHBondContact O-CB 3.43Å; E366-R370 PolarHBondContact O-N 3.32Å |
| 367 | F | 76.4 | Confident | 73.6 | Confident | 107 Ų | 107 | 104.7 Ų | 104.7 | 47% | 0.469 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 172.1 | -173.3 | -87.8 | 0 | 0 | 0 | 110.9 | L363 R364 R370 K371 | L363-F367 WeakPolarHBondContact O-CB 3.49Å; L363-F367 PolarHBondContact O-N 3.43Å; R364-F367 PolarHBondContact O-N 2.78Å; F367-R370 PolarHBondContact O-N 2.83Å; F367-K371 HydrophobicContact CE1-CD 4.48Å; F367-K371 WeakPolarHBondContact O-CB 3.22Å; F367-K371 PolarHBondContact O-N 3.4Å |
| 368 | D | 80.8 | Confident | 72.7 | Confident | 67 Ų | 67 | 107.3 Ų | 107.3 | 36% | 0.358 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 177.6 | -67.9 | -21.7 | 0 | 0 | 0 | 111.5 | R364 K371 L372 | R364-D368 WeakPolarHBondContact O-CB 3.34Å; R364-D368 PolarHBondContact O-N 3.37Å; D368-K371 PolarHBondContact O-N 3.06Å; D368-L372 WeakPolarHBondContact O-CB 3.34Å; D368-L372 VanDerWaalsContact O-CG 3.31Å; D368-L372 WeakPolarHBondContact O-CG 3.29Å; D368-L372 PolarHBondContact O-N 3.48Å |
| 369 | N | 78.5 | Confident | 71.5 | Confident | 92 Ų | 92 | 107.3 Ų | 107.3 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 171.9 | -100.9 | -53.5 | 0 | 0 | 0 | 112.5 | L365 K373 | L365-N369 WeakPolarHBondContact O-CB 3.47Å; L365-N369 PolarHBondContact O-N 2.84Å; L365-N369 PolarHBondContact O-ND2 3.48Å; N369-K373 WeakPolarHBondContact O-CB 3.42Å; N369-K373 VanDerWaalsContact O-CG 3.3Å; N369-K373 WeakPolarHBondContact O-CG 3.35Å; N369-K373 PolarHBondContact O-N 3.39Å |
| 370 | R | 79.2 | Confident | 69.9 | Low | 122 Ų | 122 | 108 Ų | 108 | 46% | 0.46 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 174 | -164.8 | -175.5 | -32.7 | 100.4 | 9 | 109.7 | E366 F367 K373 E374 | E366-R370 WeakPolarHBondContact O-CB 3.43Å; E366-R370 PolarHBondContact O-N 3.32Å; F367-R370 PolarHBondContact O-N 2.83Å; R370-K373 CarbonylContact O-C 3.57Å; R370-K373 PolarHBondContact O-N 2.85Å; R370-E374 WeakPolarHBondContact O-CB 3.31Å; R370-E374 PolarHBondContact O-N 3.2Å |
| 371 | K | 76.6 | Confident | 68.3 | Low | 117 Ų | 117 | 111.4 Ų | 111.4 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 176.7 | -165.3 | 178.7 | -176.8 | -177.2 | 0 | 112.3 | F367 D368 E374 M375 | F367-K371 HydrophobicContact CE1-CD 4.48Å; F367-K371 WeakPolarHBondContact O-CB 3.22Å; F367-K371 PolarHBondContact O-N 3.4Å; D368-K371 PolarHBondContact O-N 3.06Å; K371-E374 PolarHBondContact O-N 2.81Å; K371-M375 WeakPolarHBondContact O-CB 3.32Å; K371-M375 WeakPolarHBondContact O-CG 3.27Å; K371-M375 PolarHBondContact O-N 3.25Å |
| 372 | L | 66.5 | Low | 66.3 | Low | 98 Ų | 98 | 113.4 Ų | 113.4 | 51% | 0.513 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67 | -39.5 | 172.8 | -76.2 | 168.7 | 0 | 0 | 0 | 111.4 | D368 E374 M375 L376 | D368-L372 WeakPolarHBondContact O-CB 3.34Å; D368-L372 VanDerWaalsContact O-CG 3.31Å; D368-L372 WeakPolarHBondContact O-CG 3.29Å; D368-L372 PolarHBondContact O-N 3.48Å; L372-E374 VanDerWaalsContact C-N 3.35Å; L372-M375 PolarHBondContact O-N 2.96Å; L372-L376 VanDerWaalsContact O-CB 3.31Å; L372-L376 WeakPolarHBondContact O-CB 3.25Å; L372-L376 PolarHBondContact O-N 2.86Å |
| 373 | K | 70 | Confident | 64.3 | Low | 146 Ų | 146 | 112.6 Ų | 112.6 | 64% | 0.635 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.8 | -33.5 | 171.5 | -82.7 | -179 | 176.9 | 179.6 | 0 | 112.5 | N369 R370 L376 Q377 | N369-K373 WeakPolarHBondContact O-CB 3.42Å; N369-K373 VanDerWaalsContact O-CG 3.3Å; N369-K373 WeakPolarHBondContact O-CG 3.35Å; N369-K373 PolarHBondContact O-N 3.39Å; R370-K373 CarbonylContact O-C 3.57Å; R370-K373 PolarHBondContact O-N 2.85Å; K373-L376 CarbonylContact O-C 3.59Å; K373-L376 PolarHBondContact O-N 2.84Å; K373-Q377 WeakPolarHBondContact O-CA 3.1Å; K373-Q377 WeakPolarHBondContact O-CB 3.45Å; K373-Q377 PolarHBondContact O-N 3.49Å |
| 374 | E | 70 | Confident | 62.1 | Low | 115 Ų | 115 | 116.4 Ų | 116.4 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -75.3 | -36 | 177.8 | -154.8 | 170.3 | -148.8 | 0 | 0 | 110.1 | R370 K371 L372 Q377 N378 | R370-E374 WeakPolarHBondContact O-CB 3.31Å; R370-E374 PolarHBondContact O-N 3.2Å; K371-E374 PolarHBondContact O-N 2.81Å; L372-E374 VanDerWaalsContact C-N 3.35Å; E374-Q377 PolarHBondContact O-N 2.83Å; E374-N378 WeakPolarHBondContact O-CB 3.28Å; E374-N378 PolarHBondContact O-N 2.91Å; E374-N378 PolarHBondContact O-ND2 3.41Å |
| 375 | M | 64.7 | Low | 60 | Low | 114 Ų | 114 | 113.6 Ų | 113.6 | 56% | 0.562 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.4 | -43.7 | 166.1 | -75.7 | 174.8 | 58.8 | 0 | 0 | 111.5 | K371 L372 N378 C379 | K371-M375 WeakPolarHBondContact O-CB 3.32Å; K371-M375 WeakPolarHBondContact O-CG 3.27Å; K371-M375 PolarHBondContact O-N 3.25Å; L372-M375 PolarHBondContact O-N 2.96Å; M375-N378 PolarHBondContact O-N 2.99Å; M375-C379 WeakPolarHBondContact O-CB 3.39Å; M375-C379 PolarHBondContact O-N 3.46Å; M375-C379 PolarHBondContact O-SG 3.15Å; M375-C379 VanDerWaalsContact O-SG 3.32Å |
| 376 | L | 58.5 | Low | 57.7 | Low | 116 Ų | 116 | 115.6 Ų | 115.6 | 61% | 0.607 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.6 | -35.7 | 175.9 | -110.9 | 149.9 | 0 | 0 | 0 | 112 | L372 K373 C379 S380 | L372-L376 VanDerWaalsContact O-CB 3.31Å; L372-L376 WeakPolarHBondContact O-CB 3.25Å; L372-L376 PolarHBondContact O-N 2.86Å; K373-L376 CarbonylContact O-C 3.59Å; K373-L376 PolarHBondContact O-N 2.84Å; L376-C379 CarbonylContact O-C 3.58Å; L376-C379 PolarHBondContact O-N 3.41Å; L376-S380 VanDerWaalsContact O-CB 3.27Å; L376-S380 WeakPolarHBondContact O-CB 3.38Å; L376-S380 PolarHBondContact O-N 3.19Å |
| 377 | Q | 61.8 | Low | 55.6 | Low | 128 Ų | 128 | 115.4 Ų | 115.4 | 60% | 0.598 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.4 | -34.9 | 177.7 | -166.6 | 172.6 | 13.2 | 0 | 0 | 110.5 | K373 E374 C379 S380 I381 | K373-Q377 WeakPolarHBondContact O-CA 3.1Å; K373-Q377 WeakPolarHBondContact O-CB 3.45Å; K373-Q377 PolarHBondContact O-N 3.49Å; E374-Q377 PolarHBondContact O-N 2.83Å; Q377-C379 VanDerWaalsContact C-N 3.27Å; Q377-C379 PolarHBondContact O-N 3.32Å; Q377-S380 CarbonylContact O-C 3.6Å; Q377-S380 PolarHBondContact O-N 2.94Å; Q377-S380 VanDerWaalsContact O-N 3.13Å; Q377-I381 VanDerWaalsContact O-CG1 3.31Å; Q377-I381 WeakPolarHBondContact O-CG1 3.47Å; Q377-I381 PolarHBondContact O-N 2.98Å |
| 378 | N | 53.1 | Low | 53.4 | Low | 107 Ų | 107 | 119.5 Ų | 119.5 | 57% | 0.572 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.4 | -29.4 | 167.9 | -73.9 | -10.3 | 0 | 0 | 0 | 111.9 | E374 M375 | E374-N378 WeakPolarHBondContact O-CB 3.28Å; E374-N378 PolarHBondContact O-N 2.91Å; E374-N378 PolarHBondContact O-ND2 3.41Å; M375-N378 PolarHBondContact O-N 2.99Å |
| 379 | C | 47.7 | Very low | 50.8 | Low | 91 Ų | 91 | 123.1 Ų | 123.1 | 62% | 0.615 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -78.7 | -25.7 | 168 | -69.8 | 0 | 0 | 0 | 0 | 113.2 | M375 L376 Q377 F382 | M375-C379 WeakPolarHBondContact O-CB 3.39Å; M375-C379 PolarHBondContact O-N 3.46Å; M375-C379 PolarHBondContact O-SG 3.15Å; M375-C379 VanDerWaalsContact O-SG 3.32Å; L376-C379 CarbonylContact O-C 3.58Å; L376-C379 PolarHBondContact O-N 3.41Å; Q377-C379 VanDerWaalsContact C-N 3.27Å; Q377-C379 PolarHBondContact O-N 3.32Å; C379-F382 PolarHBondContact O-N 3.46Å |
| 380 | S | 43.3 | Very low | 48.5 | Very low | 69 Ų | 69 | 129.5 Ų | 129.5 | 48% | 0.483 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -90.9 | -6.6 | 179.6 | -102.6 | 0 | 0 | 0 | 0 | 114.4 | L376 Q377 F382 S383 | L376-S380 VanDerWaalsContact O-CB 3.27Å; L376-S380 WeakPolarHBondContact O-CB 3.38Å; L376-S380 PolarHBondContact O-N 3.19Å; Q377-S380 CarbonylContact O-C 3.6Å; Q377-S380 PolarHBondContact O-N 2.94Å; Q377-S380 VanDerWaalsContact O-N 3.13Å; S380-F382 PolarHBondContact O-N 3.34Å; S380-S383 PolarHBondContact O-N 2.96Å |
| 381 | I | 39.7 | Very low | 46.1 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 65% | 0.651 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -8.2 | 161.7 | -65.7 | 162 | 0 | 0 | 0 | 110.5 | Q377 | Q377-I381 VanDerWaalsContact O-CG1 3.31Å; Q377-I381 WeakPolarHBondContact O-CG1 3.47Å; Q377-I381 PolarHBondContact O-N 2.98Å |
| 382 | F | 37.2 | Very low | 43.9 | Very low | 184 Ų | 184 | 131.7 Ų | 131.7 | 81% | 0.807 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -103.4 | 62.3 | 162.2 | -78.1 | -86.3 | 0 | 0 | 0 | 111 | C379 S380 | C379-F382 PolarHBondContact O-N 3.46Å; S380-F382 PolarHBondContact O-N 3.34Å |
| 383 | S | 36.5 | Very low | 42.1 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -145.9 | 116 | 162.6 | -67.1 | 0 | 0 | 0 | 0 | 109.6 | S380 | S380-S383 PolarHBondContact O-N 2.96Š|
| 384 | E | 33.4 | Very low | 40.3 | Very low | 188 Ų | 188 | 131 Ų | 131 | 88% | 0.879 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 73.3 | 75 | 160.1 | -62.7 | -178.5 | 146.5 | 0 | 0 | 118.5 | ||
| 385 | S | 34.3 | Very low | 38.5 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 83% | 0.825 | 71% | 0.705 | S | S | * | * | trans | -156.7 | 66.4 | 146.2 | -73.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 386 | D | 28.3 | Very low | 36.9 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | -153.6 | 63.8 | 151.6 | -96.5 | -24.3 | 0 | 0 | 0 | 108.9 | ||||
| 387 | A | 31.3 | Very low | 35.5 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -106 | 103.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||
| 388 | K | 30 | Very low | 33.8 | Very low | 193 Ų | 193 | 130.7 Ų | 130.7 | 84% | 0.839 | 73% | 0.729 | S | S | * | * | trans | 98.1 | 83.2 | 175.7 | -56.1 | 158.7 | -179 | 174.5 | 0 | 115.6 | ||||
| 389 | L | 26.4 | Very low | 32.6 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -125.2 | 72.9 | 144.6 | -127.1 | 164.4 | 0 | 0 | 0 | 108.9 | D391 | L389-D391 VanDerWaalsContact C-N 3.31Å; L389-D391 HydrophobicContact CD2-CB 3.87Å; L389-D391 PolarHBondContact O-N 3.22Å | ||
| 390 | Y | 31.1 | Very low | 31.8 | Very low | 227 Ų | 227 | 135.4 Ų | 135.4 | 89% | 0.89 | 75% | 0.75 | S | S | * | * | trans | -67.8 | 94.1 | 144.5 | -89.6 | -96.2 | 0 | 0 | 0 | 106.3 | ||||
| 391 | D | 27.9 | Very low | 31.4 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 56% | 0.561 | 76% | 0.758 | S | S | * | * | trans | -170.7 | 81.8 | 153.5 | -123.2 | -18.6 | 0 | 0 | 0 | 111.6 | L389 N393 | L389-D391 VanDerWaalsContact C-N 3.31Å; L389-D391 HydrophobicContact CD2-CB 3.87Å; L389-D391 PolarHBondContact O-N 3.22Å; D391-N393 VanDerWaalsContact OD1-CB 3.26Å; D391-N393 WeakPolarHBondContact OD1-CB 3.32Å; D391-N393 PolarHBondContact OD1-ND2 2.82Å | ||
| 392 | L | 29.7 | Very low | 31 | Very low | 179 Ų | 179 | 140 Ų | 140 | 94% | 0.937 | 77% | 0.767 | S | S | * | * | trans | -159.8 | 74.1 | 157.3 | -103.4 | 156.9 | 0 | 0 | 0 | 102.8 | ||||
| 393 | N | 30.4 | Very low | 30.8 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 59% | 0.588 | 77% | 0.765 | S | S | * | * | cis | 56.2 | 86.6 | 39.1 | -139.5 | 6.8 | 0 | 0 | 0 | 113.3 | D391 | D391-N393 VanDerWaalsContact OD1-CB 3.26Å; D391-N393 WeakPolarHBondContact OD1-CB 3.32Å; D391-N393 PolarHBondContact OD1-ND2 2.82Å | ||
| 394 | V | 30.9 | Very low | 30.6 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 71.6 | 102.8 | 144 | 178.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 395 | S | 33.2 | Very low | 30.5 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | 168.4 | 86.3 | 117.2 | -71.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 396 | S | 31.1 | Very low | 30.9 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -137.3 | 144.2 | 133 | 73.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 397 | P | 29.1 | Very low | 31.4 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | trans | -76 | 147.6 | 173.6 | 34.9 | -33.6 | 0 | 0 | 0 | 109.8 | ||||
| 398 | T | 25.2 | Very low | 31.7 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | 76.3 | 132 | 145.6 | -41.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 399 | S | 28.2 | Very low | 32.5 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | 68.2 | 76.5 | 160.5 | 66.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 400 | Q | 30 | Very low | 33.2 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | -57.5 | 146.2 | 120.6 | -71.5 | -178.9 | -20.1 | 0 | 0 | 108.2 | |||||
| 401 | P | 36.5 | Very low | 33.7 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | -155.7 | 167.7 | 84.3 | 42.8 | -23.2 | 0 | 0 | 0 | 117.2 | |||||
| 402 | F | 31.1 | Very low | 34.6 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | 78.1 | 78.3 | 161.3 | -68.2 | -72.4 | 0 | 0 | 0 | 117.7 | L404 | F402-L404 PolarHBondContact O-N 3.47Š| ||
| 403 | S | 32 | Very low | 35.6 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | -48.1 | 121.2 | 128.4 | -48.7 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 404 | L | 32.2 | Very low | 36.5 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | 172.4 | 110.1 | 122.2 | -90 | 168.6 | 0 | 0 | 0 | 109.9 | F402 | F402-L404 PolarHBondContact O-N 3.47Š| |||
| 405 | L | 30.7 | Very low | 37.4 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | 66.3 | 77.7 | 124.3 | -158.7 | 72.8 | 0 | 0 | 0 | 117 | |||||
| 406 | N | 43.7 | Very low | 38.6 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | trans | -161.1 | 70.3 | 136.8 | -99.5 | -3.2 | 0 | 0 | 0 | 106.1 | ||||
| 407 | E | 38.6 | Very low | 40.2 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | 24 | 109.5 | 96.1 | -83.9 | -169 | -170.9 | 0 | 0 | 115.2 | |||||
| 408 | L | 38.3 | Very low | 41.8 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | trans | 81.5 | 96.4 | 159.2 | -74.5 | 89.2 | 0 | 0 | 0 | 118.8 | ||||
| 409 | K | 45 | Very low | 44 | Very low | 191 Ų | 191 | 126.7 Ų | 126.7 | 83% | 0.83 | 69% | 0.688 | S | S | * | * | trans | 152.6 | 130 | 130.6 | -86.5 | 172.9 | 178 | -175.3 | 0 | 108 | ||||
| 410 | D | 43.2 | Very low | 46.2 | Very low | 153 Ų | 153 | 130 Ų | 130 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | S | Bend | cis | -160.8 | 142.9 | 2 | -82 | -44.9 | 0 | 0 | 0 | 105.4 | ||
| 411 | G | 40.5 | Very low | 48.4 | Very low | 55 Ų | 55 | 125.9 Ų | 125.9 | 57% | 0.567 | 67% | 0.668 | S | S | * | * | trans | 158.6 | 17.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | E413 C414 | G411-E413 PolarHBondContact O-N 3.33Å; G411-C414 PolarHBondContact O-N 2.88Å | ||
| 412 | K | 47.8 | Very low | 50.3 | Low | 187 Ų | 187 | 128.5 Ų | 128.5 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 16.8 | 176.4 | -73 | -171.1 | 174.8 | -177.7 | 0 | 115.4 | ||
| 413 | E | 49.4 | Very low | 52.5 | Low | 178 Ų | 178 | 124.1 Ų | 124.1 | 83% | 0.832 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -17.7 | 171.6 | -67.7 | -172.8 | 166.4 | 0 | 0 | 113 | G411 | G411-E413 PolarHBondContact O-N 3.33Š|
| 414 | C | 48.8 | Very low | 54.6 | Low | 85 Ų | 85 | 124.4 Ų | 124.4 | 57% | 0.574 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -84.7 | -31.3 | 178 | -156.7 | 0 | 0 | 0 | 0 | 113.1 | G411 A417 S418 | G411-C414 PolarHBondContact O-N 2.88Å; C414-A417 PolarHBondContact O-N 2.71Å; C414-S418 PolarHBondContact O-N 2.95Å; C414-S418 PolarHBondContact O-OG 3.39Å; C414-S418 VanDerWaalsContact O-OG 3.06Å |
| 415 | D | 50.4 | Low | 57 | Low | 106 Ų | 106 | 122.9 Ų | 122.9 | 57% | 0.567 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.9 | -36 | 177.4 | -70.2 | -31.3 | 0 | 0 | 0 | 111.8 | A417 S418 D419 | D415-A417 VanDerWaalsContact C-N 3.3Å; D415-A417 PolarHBondContact O-N 2.67Å; D415-S418 PolarHBondContact O-N 3.24Å; D415-D419 VanDerWaalsContact O-CB 3.28Å; D415-D419 WeakPolarHBondContact O-CB 3.34Å; D415-D419 VanDerWaalsContact O-CG 3.27Å; D415-D419 PolarHBondContact O-N 3Å |
| 416 | V | 59.1 | Low | 59.5 | Low | 76 Ų | 76 | 122.2 Ų | 122.2 | 46% | 0.461 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.5 | -33.7 | 175.1 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | R420 | V416-R420 VanDerWaalsContact O-CB 3.26Å; V416-R420 WeakPolarHBondContact O-CB 3.36Å; V416-R420 VanDerWaalsContact O-CG 3.25Å; V416-R420 WeakPolarHBondContact O-CG 3.44Å; V416-R420 PolarHBondContact O-N 2.78Å |
| 417 | A | 63.4 | Low | 61.3 | Low | 58 Ų | 58 | 121.4 Ų | 121.4 | 48% | 0.479 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70.4 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C414 D415 L421 | C414-A417 PolarHBondContact O-N 2.71Å; D415-A417 VanDerWaalsContact C-N 3.3Å; D415-A417 PolarHBondContact O-N 2.67Å; A417-L421 WeakPolarHBondContact O-CB 3.39Å; A417-L421 PolarHBondContact O-N 3.49Å |
| 418 | S | 63.8 | Low | 63.6 | Low | 54 Ų | 54 | 119.3 Ų | 119.3 | 38% | 0.378 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.1 | -38.1 | 178.7 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | C414 D415 L421 R422 | C414-S418 PolarHBondContact O-N 2.95Å; C414-S418 PolarHBondContact O-OG 3.39Å; C414-S418 VanDerWaalsContact O-OG 3.06Å; D415-S418 PolarHBondContact O-N 3.24Å; S418-L421 PolarHBondContact O-N 3.02Å; S418-R422 PolarHBondContact O-N 2.88Å |
| 419 | D | 71.3 | Confident | 65.6 | Low | 71 Ų | 71 | 116.1 Ų | 116.1 | 38% | 0.38 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.2 | -40.6 | 174.4 | -72.9 | -22 | 0 | 0 | 0 | 111.1 | D415 L421 R422 E423 | D415-D419 VanDerWaalsContact O-CB 3.28Å; D415-D419 WeakPolarHBondContact O-CB 3.34Å; D415-D419 VanDerWaalsContact O-CG 3.27Å; D415-D419 PolarHBondContact O-N 3Å; D419-L421 VanDerWaalsContact C-N 3.28Å; D419-L421 PolarHBondContact O-N 3.38Å; D419-R422 PolarHBondContact O-N 2.89Å; D419-R422 VanDerWaalsContact O-N 3.14Å; D419-R422 IonicContact OD1-CZ 2.77Å; D419-R422 IonicContact OD1-NH1 3.78Å; D419-R422 PolarHBondContact OD1-NH1 3.49Å; D419-R422 IonicContact OD1-NH2 2.86Å; D419-E423 WeakPolarHBondContact O-CG 3.43Å; D419-E423 PolarHBondContact O-N 3.16Å |
| 420 | R | 74.1 | Confident | 67.5 | Low | 173 Ų | 173 | 112.4 Ų | 112.4 | 65% | 0.653 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.4 | -37.5 | 170.7 | -82.2 | 177.8 | 173.3 | 176.8 | -0.3 | 112.3 | V416 M424 | V416-R420 VanDerWaalsContact O-CB 3.26Å; V416-R420 WeakPolarHBondContact O-CB 3.36Å; V416-R420 VanDerWaalsContact O-CG 3.25Å; V416-R420 WeakPolarHBondContact O-CG 3.44Å; V416-R420 PolarHBondContact O-N 2.78Å; R420-M424 WeakPolarHBondContact O-CB 3.35Å; R420-M424 WeakPolarHBondContact O-CG 3.4Å; R420-M424 PolarHBondContact O-N 3.24Å |
| 421 | L | 75.5 | Confident | 69.4 | Low | 106 Ų | 106 | 110.9 Ų | 110.9 | 56% | 0.555 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.5 | -37.7 | 175.1 | -172.6 | 64.3 | 0 | 0 | 0 | 111.6 | A417 S418 D419 M424 K425 | A417-L421 WeakPolarHBondContact O-CB 3.39Å; A417-L421 PolarHBondContact O-N 3.49Å; S418-L421 PolarHBondContact O-N 3.02Å; D419-L421 VanDerWaalsContact C-N 3.28Å; D419-L421 PolarHBondContact O-N 3.38Å; L421-M424 PolarHBondContact O-N 2.83Å; L421-K425 WeakPolarHBondContact O-CB 3.48Å; L421-K425 VanDerWaalsContact O-CG 3.27Å; L421-K425 WeakPolarHBondContact O-CG 3.28Å; L421-K425 PolarHBondContact O-N 3.41Å |
| 422 | R | 76.9 | Confident | 71.6 | Confident | 155 Ų | 155 | 111.2 Ų | 111.2 | 59% | 0.585 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.7 | -43.3 | 176.4 | -159 | -176.9 | -63.8 | 121.5 | 3.2 | 111.5 | S418 D419 M424 K425 Q426 | S418-R422 PolarHBondContact O-N 2.88Å; D419-R422 PolarHBondContact O-N 2.89Å; D419-R422 VanDerWaalsContact O-N 3.14Å; D419-R422 IonicContact OD1-CZ 2.77Å; D419-R422 IonicContact OD1-NH1 3.78Å; D419-R422 PolarHBondContact OD1-NH1 3.49Å; D419-R422 IonicContact OD1-NH2 2.86Å; R422-M424 VanDerWaalsContact C-N 3.34Å; R422-K425 PolarHBondContact O-N 2.89Å; R422-Q426 VanDerWaalsContact O-CB 3.3Å; R422-Q426 WeakPolarHBondContact O-CB 3.31Å; R422-Q426 PolarHBondContact O-N 3.37Å |
| 423 | E | 77.5 | Confident | 73.4 | Confident | 102 Ų | 102 | 109.2 Ų | 109.2 | 48% | 0.477 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 173.1 | -75.3 | -173.7 | -168.5 | 0 | 0 | 112.4 | D419 Q426 R427 | D419-E423 WeakPolarHBondContact O-CG 3.43Å; D419-E423 PolarHBondContact O-N 3.16Å; E423-Q426 PolarHBondContact O-N 2.92Å; E423-R427 WeakPolarHBondContact O-CB 3.43Å; E423-R427 WeakPolarHBondContact O-CG 3.35Å; E423-R427 PolarHBondContact O-N 3.2Å; E423-R427 IonicContact OE2-NH1 3.88Å; E423-R427 PolarHBondContact OE2-NH1 2.89Å |
| 424 | M | 76.3 | Confident | 75.3 | Confident | 115 Ų | 115 | 104.4 Ų | 104.4 | 57% | 0.567 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -47.1 | 173.8 | -91.5 | -97.6 | -69.8 | 0 | 0 | 111.6 | R420 L421 R422 Q426 R427 E428 | R420-M424 WeakPolarHBondContact O-CB 3.35Å; R420-M424 WeakPolarHBondContact O-CG 3.4Å; R420-M424 PolarHBondContact O-N 3.24Å; L421-M424 PolarHBondContact O-N 2.83Å; R422-M424 VanDerWaalsContact C-N 3.34Å; M424-Q426 VanDerWaalsContact C-N 3.3Å; M424-Q426 PolarHBondContact O-N 3.4Å; M424-R427 PolarHBondContact O-N 3.11Å; M424-E428 PolarHBondContact O-N 3.46Å |
| 425 | K | 82.9 | Confident | 77.1 | Confident | 122 Ų | 122 | 105.3 Ų | 105.3 | 53% | 0.53 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 175.5 | -74.9 | -84 | -177.9 | -179.5 | 0 | 112.1 | L421 R422 E428 C429 | L421-K425 WeakPolarHBondContact O-CB 3.48Å; L421-K425 VanDerWaalsContact O-CG 3.27Å; L421-K425 WeakPolarHBondContact O-CG 3.28Å; L421-K425 PolarHBondContact O-N 3.41Å; R422-K425 PolarHBondContact O-N 2.89Å; K425-E428 PolarHBondContact O-N 3.35Å; K425-C429 PolarHBondContact O-N 3.38Å; K425-C429 PolarHBondContact O-SG 2.85Å |
| 426 | Q | 83 | Confident | 78.9 | Confident | 117 Ų | 117 | 102.9 Ų | 102.9 | 55% | 0.547 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.9 | -43.3 | 177.7 | -159.6 | 168.8 | 8.1 | 0 | 0 | 111 | R422 E423 M424 E428 C429 E430 | R422-Q426 VanDerWaalsContact O-CB 3.3Å; R422-Q426 WeakPolarHBondContact O-CB 3.31Å; R422-Q426 PolarHBondContact O-N 3.37Å; E423-Q426 PolarHBondContact O-N 2.92Å; M424-Q426 VanDerWaalsContact C-N 3.3Å; M424-Q426 PolarHBondContact O-N 3.4Å; Q426-E428 VanDerWaalsContact C-N 3.34Å; Q426-E428 PolarHBondContact O-N 2.88Å; Q426-C429 PolarHBondContact O-N 2.92Å; Q426-E430 WeakPolarHBondContact O-CG 3.22Å; Q426-E430 PolarHBondContact O-N 3.28Å |
| 427 | R | 82.4 | Confident | 80.2 | Confident | 141 Ų | 141 | 102.6 Ų | 102.6 | 53% | 0.532 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 171 | -81.9 | 174.8 | 166.1 | 107.5 | -2.8 | 112.6 | E423 M424 E430 L431 | E423-R427 WeakPolarHBondContact O-CB 3.43Å; E423-R427 WeakPolarHBondContact O-CG 3.35Å; E423-R427 PolarHBondContact O-N 3.2Å; E423-R427 IonicContact OE2-NH1 3.88Å; E423-R427 PolarHBondContact OE2-NH1 2.89Å; M424-R427 PolarHBondContact O-N 3.11Å; R427-E430 PolarHBondContact O-N 3.48Å; R427-L431 VanDerWaalsContact O-CB 3.31Å; R427-L431 WeakPolarHBondContact O-CB 3.34Å; R427-L431 WeakPolarHBondContact O-CD1 3.47Å; R427-L431 PolarHBondContact O-N 2.77Å |
| 428 | E | 85.4 | Confident | 81.1 | Confident | 110 Ų | 110 | 102.2 Ų | 102.2 | 51% | 0.514 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 173.7 | -81.6 | -175.7 | 155 | 0 | 0 | 111.8 | M424 K425 Q426 L431 A432 | M424-E428 PolarHBondContact O-N 3.46Å; K425-E428 PolarHBondContact O-N 3.35Å; Q426-E428 VanDerWaalsContact C-N 3.34Å; Q426-E428 PolarHBondContact O-N 2.88Å; E428-L431 PolarHBondContact O-N 3.43Å; E428-A432 VanDerWaalsContact O-CB 3.29Å; E428-A432 WeakPolarHBondContact O-CB 3.33Å; E428-A432 PolarHBondContact O-N 3.38Å |
| 429 | C | 81.4 | Confident | 82.2 | Confident | 83 Ų | 83 | 103.8 Ų | 103.8 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.7 | -43.7 | 174.8 | -71.9 | 0 | 0 | 0 | 0 | 112.2 | K425 Q426 A432 E433 | K425-C429 PolarHBondContact O-N 3.38Å; K425-C429 PolarHBondContact O-SG 2.85Å; Q426-C429 PolarHBondContact O-N 2.92Å; C429-A432 PolarHBondContact O-N 3.26Å; C429-E433 PolarHBondContact O-N 3.03Å |
| 430 | E | 84.3 | Confident | 82.9 | Confident | 114 Ų | 114 | 106.1 Ų | 106.1 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 176.8 | -72 | 170.7 | -173.5 | 0 | 0 | 112 | Q426 R427 S434 | Q426-E430 WeakPolarHBondContact O-CG 3.22Å; Q426-E430 PolarHBondContact O-N 3.28Å; R427-E430 PolarHBondContact O-N 3.48Å; E430-S434 VanDerWaalsContact O-CB 3.3Å; E430-S434 WeakPolarHBondContact O-CB 3.27Å; E430-S434 PolarHBondContact O-N 3.42Å |
| 431 | L | 83.7 | Confident | 83.5 | Confident | 120 Ų | 120 | 104.8 Ų | 104.8 | 63% | 0.628 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.9 | -40.9 | 174.3 | -94.9 | 144 | 0 | 0 | 0 | 111.7 | R427 E428 S434 L435 | R427-L431 VanDerWaalsContact O-CB 3.31Å; R427-L431 WeakPolarHBondContact O-CB 3.34Å; R427-L431 WeakPolarHBondContact O-CD1 3.47Å; R427-L431 PolarHBondContact O-N 2.77Å; E428-L431 PolarHBondContact O-N 3.43Å; L431-S434 PolarHBondContact O-N 2.9Å; L431-L435 VanDerWaalsContact O-CB 3.27Å; L431-L435 WeakPolarHBondContact O-CB 3.42Å; L431-L435 PolarHBondContact O-N 3.21Å |
| 432 | A | 86.9 | Confident | 84 | Confident | 62 Ų | 62 | 104.7 Ų | 104.7 | 51% | 0.512 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E428 C429 L435 A436 | E428-A432 VanDerWaalsContact O-CB 3.29Å; E428-A432 WeakPolarHBondContact O-CB 3.33Å; E428-A432 PolarHBondContact O-N 3.38Å; C429-A432 PolarHBondContact O-N 3.26Å; A432-L435 PolarHBondContact O-N 2.87Å; A432-A436 WeakPolarHBondContact O-CB 3.37Å; A432-A436 PolarHBondContact O-N 2.87Å |
| 433 | E | 85.9 | Confident | 84.5 | Confident | 145 Ų | 145 | 104.6 Ų | 104.6 | 68% | 0.678 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.8 | -49.6 | 173.1 | -80 | -174.4 | 166 | 0 | 0 | 110.9 | C429 L435 A436 D437 | C429-E433 PolarHBondContact O-N 3.03Å; E433-L435 VanDerWaalsContact C-N 3.27Å; E433-L435 PolarHBondContact O-N 3.4Å; E433-A436 PolarHBondContact O-N 3.31Å; E433-D437 VanDerWaalsContact O-CB 3.31Å; E433-D437 WeakPolarHBondContact O-CB 3.44Å; E433-D437 PolarHBondContact O-N 3.44Å |
| 434 | S | 88.4 | Confident | 84.9 | Confident | 78 Ų | 78 | 101.6 Ų | 101.6 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.4 | -38.2 | 178.1 | -175.7 | 0 | 0 | 0 | 0 | 112.7 | E430 L431 D437 A438 | E430-S434 VanDerWaalsContact O-CB 3.3Å; E430-S434 WeakPolarHBondContact O-CB 3.27Å; E430-S434 PolarHBondContact O-N 3.42Å; L431-S434 PolarHBondContact O-N 2.9Å; S434-D437 WeakPolarHBondContact O-CB 3.45Å; S434-D437 PolarHBondContact O-N 2.9Å; S434-A438 WeakPolarHBondContact O-CB 3.28Å; S434-A438 PolarHBondContact O-N 3.43Å |
| 435 | L | 87.5 | Confident | 85.3 | Confident | 103 Ų | 103 | 100.7 Ų | 100.7 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.5 | -41 | 177.8 | -158.4 | 139.3 | 0 | 0 | 0 | 111.7 | L431 A432 E433 D437 A438 E439 | L431-L435 VanDerWaalsContact O-CB 3.27Å; L431-L435 WeakPolarHBondContact O-CB 3.42Å; L431-L435 PolarHBondContact O-N 3.21Å; A432-L435 PolarHBondContact O-N 2.87Å; E433-L435 VanDerWaalsContact C-N 3.27Å; E433-L435 PolarHBondContact O-N 3.4Å; L435-D437 VanDerWaalsContact C-N 3.3Å; L435-D437 PolarHBondContact O-N 3.34Å; L435-A438 PolarHBondContact O-N 2.88Å; L435-E439 HydrophobicContact CD2-CG 4.47Å; L435-E439 WeakPolarHBondContact O-CG 3.33Å; L435-E439 PolarHBondContact O-N 3.12Å |
| 436 | A | 86.6 | Confident | 85.4 | Confident | 56 Ų | 56 | 98.2 Ų | 98.2 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -39 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | A432 E433 E439 M440 | A432-A436 WeakPolarHBondContact O-CB 3.37Å; A432-A436 PolarHBondContact O-N 2.87Å; E433-A436 PolarHBondContact O-N 3.31Å; A436-E439 PolarHBondContact O-N 3.34Å; A436-M440 WeakPolarHBondContact O-CB 3.44Å; A436-M440 PolarHBondContact O-N 3.32Å |
| 437 | D | 86.6 | Confident | 85.6 | Confident | 69 Ų | 69 | 99.3 Ų | 99.3 | 37% | 0.369 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 175.7 | -122.8 | 30.7 | 0 | 0 | 0 | 111.9 | E433 S434 L435 M440 R441 | E433-D437 VanDerWaalsContact O-CB 3.31Å; E433-D437 WeakPolarHBondContact O-CB 3.44Å; E433-D437 PolarHBondContact O-N 3.44Å; S434-D437 WeakPolarHBondContact O-CB 3.45Å; S434-D437 PolarHBondContact O-N 2.9Å; L435-D437 VanDerWaalsContact C-N 3.3Å; L435-D437 PolarHBondContact O-N 3.34Å; D437-M440 PolarHBondContact O-N 2.87Å; D437-R441 VanDerWaalsContact CB-NH1 3.34Å; D437-R441 WeakPolarHBondContact O-CG 3.26Å; D437-R441 PolarHBondContact O-N 3.47Å; D437-R441 PolarHBondContact O-NH1 2.95Å; D437-R441 IonicContact OD2-CZ 2.7Å; D437-R441 IonicContact OD2-NH1 3.89Å; D437-R441 PolarHBondContact OD2-NH1 3.5Å; D437-R441 VanDerWaalsContact OD2-NH1 3.12Å; D437-R441 IonicContact OD2-NH2 3.59Å; D437-R441 PolarHBondContact OD2-NH2 3.45Å |
| 438 | A | 83.6 | Confident | 85.8 | Confident | 51 Ų | 51 | 98.3 Ų | 98.3 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | S434 L435 R441 N442 | S434-A438 WeakPolarHBondContact O-CB 3.28Å; S434-A438 PolarHBondContact O-N 3.43Å; L435-A438 PolarHBondContact O-N 2.88Å; A438-R441 PolarHBondContact O-N 2.79Å; A438-N442 WeakPolarHBondContact O-CB 3.47Å; A438-N442 PolarHBondContact O-N 2.8Å |
| 439 | E | 85.6 | Confident | 85.7 | Confident | 87 Ų | 87 | 97.9 Ų | 97.9 | 41% | 0.407 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 173.6 | -76.8 | -171.5 | -169.7 | 0 | 0 | 112.4 | L435 A436 N442 R443 | L435-E439 HydrophobicContact CD2-CG 4.47Å; L435-E439 WeakPolarHBondContact O-CG 3.33Å; L435-E439 PolarHBondContact O-N 3.12Å; A436-E439 PolarHBondContact O-N 3.34Å; E439-N442 PolarHBondContact O-N 3.48Å; E439-R443 VanDerWaalsContact O-CG 3.32Å; E439-R443 WeakPolarHBondContact O-CG 3.44Å; E439-R443 PolarHBondContact O-N 3.33Å; E439-R443 IonicContact OE2-CZ 3.05Å; E439-R443 IonicContact OE2-NH2 3.36Å; E439-R443 PolarHBondContact OE2-NH2 3.02Å |
| 440 | M | 86.7 | Confident | 85.8 | Confident | 120 Ų | 120 | 96 Ų | 96 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 177.1 | -131.3 | -137 | -63.2 | 0 | 0 | 111.3 | A436 D437 N442 R443 S444 | A436-M440 WeakPolarHBondContact O-CB 3.44Å; A436-M440 PolarHBondContact O-N 3.32Å; D437-M440 PolarHBondContact O-N 2.87Å; M440-N442 VanDerWaalsContact C-N 3.34Å; M440-R443 PolarHBondContact O-N 3.41Å; M440-S444 WeakPolarHBondContact O-CB 3.45Å; M440-S444 PolarHBondContact O-N 3.42Å |
| 441 | R | 87.4 | Confident | 85.8 | Confident | 144 Ų | 144 | 95.9 Ų | 95.9 | 54% | 0.543 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 171.8 | -72 | -179.8 | -167.6 | 93.7 | 8.1 | 111.1 | D437 A438 S444 L445 | D437-R441 VanDerWaalsContact CB-NH1 3.34Å; D437-R441 WeakPolarHBondContact O-CG 3.26Å; D437-R441 PolarHBondContact O-N 3.47Å; D437-R441 PolarHBondContact O-NH1 2.95Å; D437-R441 IonicContact OD2-CZ 2.7Å; D437-R441 IonicContact OD2-NH1 3.89Å; D437-R441 PolarHBondContact OD2-NH1 3.5Å; D437-R441 VanDerWaalsContact OD2-NH1 3.12Å; D437-R441 IonicContact OD2-NH2 3.59Å; D437-R441 PolarHBondContact OD2-NH2 3.45Å; A438-R441 PolarHBondContact O-N 2.79Å; R441-S444 WeakPolarHBondContact O-CB 3.47Å; R441-S444 PolarHBondContact O-N 3.27Å; R441-L445 WeakPolarHBondContact O-CB 3.27Å; R441-L445 VanDerWaalsContact O-CG 3.3Å; R441-L445 WeakPolarHBondContact O-CG 3.43Å; R441-L445 PolarHBondContact O-N 3.28Å |
| 442 | N | 85.1 | Confident | 85.7 | Confident | 105 Ų | 105 | 93.3 Ų | 93.3 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.6 | -41.1 | 179.5 | -127.6 | -7.8 | 0 | 0 | 0 | 112.4 | A438 E439 M440 S444 L445 S446 | A438-N442 WeakPolarHBondContact O-CB 3.47Å; A438-N442 PolarHBondContact O-N 2.8Å; E439-N442 PolarHBondContact O-N 3.48Å; M440-N442 VanDerWaalsContact C-N 3.34Å; N442-S444 VanDerWaalsContact C-N 3.33Å; N442-S444 PolarHBondContact O-N 3Å; N442-L445 PolarHBondContact O-N 2.88Å; N442-S446 WeakPolarHBondContact O-CB 3.36Å; N442-S446 PolarHBondContact O-N 2.95Å; N442-S446 PolarHBondContact O-OG 3.41Å |
| 443 | R | 86.9 | Confident | 85.7 | Confident | 153 Ų | 153 | 95.7 Ų | 95.7 | 58% | 0.577 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -36.4 | 173.5 | -68.2 | 176.2 | -155.7 | 168.5 | 8.2 | 111.8 | E439 M440 R447 | E439-R443 VanDerWaalsContact O-CG 3.32Å; E439-R443 WeakPolarHBondContact O-CG 3.44Å; E439-R443 PolarHBondContact O-N 3.33Å; E439-R443 IonicContact OE2-CZ 3.05Å; E439-R443 IonicContact OE2-NH2 3.36Å; E439-R443 PolarHBondContact OE2-NH2 3.02Å; M440-R443 PolarHBondContact O-N 3.41Å; R443-R447 PolarHBondContact O-N 3.15Å |
| 444 | S | 86.9 | Confident | 85.4 | Confident | 39 Ų | 39 | 93.7 Ų | 93.7 | 27% | 0.273 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 175.1 | -167 | 0 | 0 | 0 | 0 | 111.8 | M440 R441 N442 R447 K448 | M440-S444 WeakPolarHBondContact O-CB 3.45Å; M440-S444 PolarHBondContact O-N 3.42Å; R441-S444 WeakPolarHBondContact O-CB 3.47Å; R441-S444 PolarHBondContact O-N 3.27Å; N442-S444 VanDerWaalsContact C-N 3.33Å; N442-S444 PolarHBondContact O-N 3Å; S444-R447 PolarHBondContact O-N 2.69Å; S444-K448 WeakPolarHBondContact O-CG 3.3Å; S444-K448 PolarHBondContact O-N 3.13Å |
| 445 | L | 85.2 | Confident | 85.2 | Confident | 96 Ų | 96 | 95.8 Ų | 95.8 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 175.3 | -72.1 | 173.7 | 0 | 0 | 0 | 112 | R441 N442 K448 L449 | R441-L445 WeakPolarHBondContact O-CB 3.27Å; R441-L445 VanDerWaalsContact O-CG 3.3Å; R441-L445 WeakPolarHBondContact O-CG 3.43Å; R441-L445 PolarHBondContact O-N 3.28Å; N442-L445 PolarHBondContact O-N 2.88Å; L445-K448 PolarHBondContact O-N 3.5Å; L445-L449 WeakPolarHBondContact O-CB 3.31Å; L445-L449 PolarHBondContact O-N 3.41Å |
| 446 | S | 84.5 | Confident | 84.6 | Confident | 69 Ų | 69 | 93.7 Ų | 93.7 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 175.5 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | N442 L449 A450 | N442-S446 WeakPolarHBondContact O-CB 3.36Å; N442-S446 PolarHBondContact O-N 2.95Å; N442-S446 PolarHBondContact O-OG 3.41Å; S446-L449 PolarHBondContact O-N 3.38Å; S446-A450 WeakPolarHBondContact O-CB 3.32Å; S446-A450 PolarHBondContact O-N 2.79Å |
| 447 | R | 86.1 | Confident | 84.3 | Confident | 141 Ų | 141 | 95.8 Ų | 95.8 | 53% | 0.532 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 171.3 | -90.1 | -176.2 | -77.4 | 114.3 | -4.3 | 112.3 | R443 S444 L449 A450 E451 | R443-R447 PolarHBondContact O-N 3.15Å; S444-R447 PolarHBondContact O-N 2.69Å; R447-L449 VanDerWaalsContact C-N 3.33Å; R447-L449 PolarHBondContact O-N 2.92Å; R447-A450 PolarHBondContact O-N 3.34Å; R447-E451 WeakPolarHBondContact O-CB 3.28Å; R447-E451 VanDerWaalsContact O-CG 3.32Å; R447-E451 WeakPolarHBondContact O-CG 3.36Å; R447-E451 PolarHBondContact O-N 2.81Å |
| 448 | K | 86.7 | Confident | 84 | Confident | 119 Ų | 119 | 99 Ų | 99 | 52% | 0.517 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 175.4 | -73 | 178.4 | -179.9 | -174.5 | 0 | 112 | S444 L445 E451 T452 | S444-K448 WeakPolarHBondContact O-CG 3.3Å; S444-K448 PolarHBondContact O-N 3.13Å; L445-K448 PolarHBondContact O-N 3.5Å; K448-E451 PolarHBondContact O-N 2.98Å; K448-T452 WeakPolarHBondContact O-CB 3.26Å; K448-T452 VanDerWaalsContact O-CG2 3.26Å; K448-T452 WeakPolarHBondContact O-CG2 3.44Å; K448-T452 PolarHBondContact O-N 2.83Å; K448-T452 PolarHBondContact O-OG1 3.47Å; K448-T452 VanDerWaalsContact O-OG1 3.11Å |
| 449 | L | 83.5 | Confident | 83.7 | Confident | 101 Ų | 101 | 101 Ų | 101 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -50 | 173.9 | -95.5 | 158.7 | 0 | 0 | 0 | 110.7 | L445 S446 R447 E451 T452 E453 | L445-L449 WeakPolarHBondContact O-CB 3.31Å; L445-L449 PolarHBondContact O-N 3.41Å; S446-L449 PolarHBondContact O-N 3.38Å; R447-L449 VanDerWaalsContact C-N 3.33Å; R447-L449 PolarHBondContact O-N 2.92Å; L449-E451 PolarHBondContact O-N 3.34Å; L449-T452 WeakPolarHBondContact CA-OG1 3.46Å; L449-T452 PolarHBondContact O-N 3.29Å; L449-T452 PolarHBondContact O-OG1 3.09Å; L449-E453 WeakPolarHBondContact O-CB 3.36Å; L449-E453 VanDerWaalsContact O-CG 3.3Å; L449-E453 WeakPolarHBondContact O-CG 3.42Å; L449-E453 PolarHBondContact O-N 2.83Å |
| 450 | A | 83.5 | Confident | 83.3 | Confident | 45 Ų | 45 | 104.9 Ų | 104.9 | 37% | 0.372 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S446 R447 E453 D454 | S446-A450 WeakPolarHBondContact O-CB 3.32Å; S446-A450 PolarHBondContact O-N 2.79Å; R447-A450 PolarHBondContact O-N 3.34Å; A450-E453 PolarHBondContact O-N 3.45Å; A450-D454 WeakPolarHBondContact O-CB 3.37Å; A450-D454 PolarHBondContact O-N 3.43Å |
| 451 | E | 85.1 | Confident | 82.8 | Confident | 110 Ų | 110 | 105.1 Ų | 105.1 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 174.5 | -75.3 | 166.9 | -171.5 | 0 | 0 | 111.4 | R447 K448 L449 E453 D454 E455 | R447-E451 WeakPolarHBondContact O-CB 3.28Å; R447-E451 VanDerWaalsContact O-CG 3.32Å; R447-E451 WeakPolarHBondContact O-CG 3.36Å; R447-E451 PolarHBondContact O-N 2.81Å; K448-E451 PolarHBondContact O-N 2.98Å; L449-E451 PolarHBondContact O-N 3.34Å; E451-E453 VanDerWaalsContact C-N 3.32Å; E451-E453 PolarHBondContact O-N 2.94Å; E451-D454 PolarHBondContact O-N 3.19Å; E451-E455 WeakPolarHBondContact O-CB 3.38Å; E451-E455 VanDerWaalsContact O-CG 3.27Å; E451-E455 WeakPolarHBondContact O-CG 3.28Å; E451-E455 PolarHBondContact O-N 3.44Å |
| 452 | T | 82 | Confident | 82.1 | Confident | 67 Ų | 67 | 103.4 Ų | 103.4 | 41% | 0.411 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.7 | -31 | 176.2 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | K448 L449 C456 | K448-T452 WeakPolarHBondContact O-CB 3.26Å; K448-T452 VanDerWaalsContact O-CG2 3.26Å; K448-T452 WeakPolarHBondContact O-CG2 3.44Å; K448-T452 PolarHBondContact O-N 2.83Å; K448-T452 PolarHBondContact O-OG1 3.47Å; K448-T452 VanDerWaalsContact O-OG1 3.11Å; L449-T452 WeakPolarHBondContact CA-OG1 3.46Å; L449-T452 PolarHBondContact O-N 3.29Å; L449-T452 PolarHBondContact O-OG1 3.09Å; T452-C456 VanDerWaalsContact O-CB 3.22Å; T452-C456 WeakPolarHBondContact O-CB 3.4Å; T452-C456 PolarHBondContact O-N 3.44Å; T452-C456 PolarHBondContact O-SG 3.44Å |
| 453 | E | 85.6 | Confident | 81.3 | Confident | 111 Ų | 111 | 102.8 Ų | 102.8 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.6 | -42 | 175.1 | -77.6 | 176.8 | 174.9 | 0 | 0 | 111.2 | L449 A450 E451 C456 Q457 | L449-E453 WeakPolarHBondContact O-CB 3.36Å; L449-E453 VanDerWaalsContact O-CG 3.3Å; L449-E453 WeakPolarHBondContact O-CG 3.42Å; L449-E453 PolarHBondContact O-N 2.83Å; A450-E453 PolarHBondContact O-N 3.45Å; E451-E453 VanDerWaalsContact C-N 3.32Å; E451-E453 PolarHBondContact O-N 2.94Å; E453-C456 CarbonylContact O-C 3.59Å; E453-C456 WeakPolarHBondContact O-CB 3.4Å; E453-C456 PolarHBondContact O-N 2.94Å; E453-Q457 WeakPolarHBondContact O-CB 3.36Å; E453-Q457 WeakPolarHBondContact O-CG 3.43Å; E453-Q457 PolarHBondContact O-N 2.95Å |
| 454 | D | 81.1 | Confident | 80.5 | Confident | 104 Ų | 104 | 102.1 Ų | 102.1 | 56% | 0.556 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | 173.2 | -81.6 | -9.6 | 0 | 0 | 0 | 111.4 | A450 E451 C456 Q457 K458 | A450-D454 WeakPolarHBondContact O-CB 3.37Å; A450-D454 PolarHBondContact O-N 3.43Å; E451-D454 PolarHBondContact O-N 3.19Å; D454-C456 VanDerWaalsContact C-N 3.34Å; D454-Q457 PolarHBondContact O-N 3.19Å; D454-K458 VanDerWaalsContact O-CB 3.27Å; D454-K458 WeakPolarHBondContact O-CB 3.28Å; D454-K458 PolarHBondContact O-N 2.92Å |
| 455 | E | 83.6 | Confident | 79.6 | Confident | 121 Ų | 121 | 103.5 Ų | 103.5 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.7 | -42.5 | 171.8 | -75.6 | 177 | 176.8 | 0 | 0 | 111.1 | E451 K458 I459 | E451-E455 WeakPolarHBondContact O-CB 3.38Å; E451-E455 VanDerWaalsContact O-CG 3.27Å; E451-E455 WeakPolarHBondContact O-CG 3.28Å; E451-E455 PolarHBondContact O-N 3.44Å; E455-K458 PolarHBondContact O-N 3.3Å; E455-I459 WeakPolarHBondContact O-CB 3.39Å; E455-I459 WeakPolarHBondContact O-CG1 3.31Å; E455-I459 PolarHBondContact O-N 3.45Å |
| 456 | C | 74.9 | Confident | 78.2 | Confident | 59 Ų | 59 | 104.9 Ų | 104.9 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 174.7 | -77.4 | 0 | 0 | 0 | 0 | 112.2 | T452 E453 D454 R460 | T452-C456 VanDerWaalsContact O-CB 3.22Å; T452-C456 WeakPolarHBondContact O-CB 3.4Å; T452-C456 PolarHBondContact O-N 3.44Å; T452-C456 PolarHBondContact O-SG 3.44Å; E453-C456 CarbonylContact O-C 3.59Å; E453-C456 WeakPolarHBondContact O-CB 3.4Å; E453-C456 PolarHBondContact O-N 2.94Å; D454-C456 VanDerWaalsContact C-N 3.34Å; C456-R460 WeakPolarHBondContact O-CB 3.29Å; C456-R460 WeakPolarHBondContact O-CG 3.36Å; C456-R460 PolarHBondContact O-N 2.87Å |
| 457 | Q | 79.2 | Confident | 77.1 | Confident | 101 Ų | 101 | 108 Ų | 108 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 175.4 | -75.8 | 177.7 | 25.2 | 0 | 0 | 111.1 | E453 D454 I459 R460 E461 | E453-Q457 WeakPolarHBondContact O-CB 3.36Å; E453-Q457 WeakPolarHBondContact O-CG 3.43Å; E453-Q457 PolarHBondContact O-N 2.95Å; D454-Q457 PolarHBondContact O-N 3.19Å; Q457-I459 PolarHBondContact O-N 3.45Å; Q457-R460 CarbonylContact O-C 3.56Å; Q457-R460 WeakPolarHBondContact O-CB 3.37Å; Q457-R460 PolarHBondContact O-N 3.43Å; Q457-R460 VanDerWaalsContact O-N 3.12Å; Q457-E461 WeakPolarHBondContact O-CG 2.85Å; Q457-E461 PolarHBondContact O-N 3.43Å |
| 458 | K | 81 | Confident | 75.8 | Confident | 137 Ų | 137 | 106 Ų | 106 | 60% | 0.596 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.4 | -40.6 | 176.3 | -164.5 | 176.2 | -170.7 | 176.1 | 0 | 112.1 | D454 E455 E461 Q462 | D454-K458 VanDerWaalsContact O-CB 3.27Å; D454-K458 WeakPolarHBondContact O-CB 3.28Å; D454-K458 PolarHBondContact O-N 2.92Å; E455-K458 PolarHBondContact O-N 3.3Å; K458-E461 PolarHBondContact O-N 3.25Å; K458-Q462 WeakPolarHBondContact O-CB 3.47Å; K458-Q462 VanDerWaalsContact O-CG 3.27Å; K458-Q462 WeakPolarHBondContact O-CG 3.44Å; K458-Q462 PolarHBondContact O-N 2.87Å |
| 459 | I | 77.5 | Confident | 74.1 | Confident | 92 Ų | 92 | 103.9 Ų | 103.9 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 172.5 | -70.2 | 165.7 | 0 | 0 | 0 | 109.8 | E455 Q457 Q462 L463 | E455-I459 WeakPolarHBondContact O-CB 3.39Å; E455-I459 WeakPolarHBondContact O-CG1 3.31Å; E455-I459 PolarHBondContact O-N 3.45Å; Q457-I459 PolarHBondContact O-N 3.45Å; I459-Q462 CarbonylContact O-C 3.56Å; I459-Q462 PolarHBondContact O-N 2.95Å; I459-L463 HydrophobicContact CG2-CD1 4.4Å; I459-L463 VanDerWaalsContact O-CB 3.31Å; I459-L463 WeakPolarHBondContact O-CB 3.37Å; I459-L463 PolarHBondContact O-N 2.96Å |
| 460 | R | 77.1 | Confident | 72.3 | Confident | 168 Ų | 168 | 102 Ų | 102 | 63% | 0.634 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 175.7 | -76.3 | 170.8 | -166.4 | 155 | 5.6 | 112.1 | C456 Q457 L463 Q464 | C456-R460 WeakPolarHBondContact O-CB 3.29Å; C456-R460 WeakPolarHBondContact O-CG 3.36Å; C456-R460 PolarHBondContact O-N 2.87Å; Q457-R460 CarbonylContact O-C 3.56Å; Q457-R460 WeakPolarHBondContact O-CB 3.37Å; Q457-R460 PolarHBondContact O-N 3.43Å; Q457-R460 VanDerWaalsContact O-N 3.12Å; R460-L463 CarbonylContact O-C 3.59Å; R460-L463 PolarHBondContact O-N 2.94Å; R460-Q464 VanDerWaalsContact O-CB 3.32Å; R460-Q464 WeakPolarHBondContact O-CB 3.35Å; R460-Q464 PolarHBondContact O-N 3.35Å |
| 461 | E | 75.5 | Confident | 70.3 | Confident | 125 Ų | 125 | 104.6 Ų | 104.6 | 58% | 0.584 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.6 | -42.3 | 174.7 | -73.9 | 179.5 | 172.6 | 0 | 0 | 111.6 | Q457 K458 Q464 S465 | Q457-E461 WeakPolarHBondContact O-CG 2.85Å; Q457-E461 PolarHBondContact O-N 3.43Å; K458-E461 PolarHBondContact O-N 3.25Å; E461-Q464 PolarHBondContact O-N 3.18Å; E461-S465 WeakPolarHBondContact O-CB 3.48Å; E461-S465 PolarHBondContact O-N 3.04Å |
| 462 | Q | 73.1 | Confident | 68.2 | Low | 109 Ų | 109 | 102.8 Ų | 102.8 | 51% | 0.509 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.8 | -43.6 | 172.3 | -76.2 | 178.3 | -13.8 | 0 | 0 | 111.3 | K458 I459 Q464 S465 M466 | K458-Q462 WeakPolarHBondContact O-CB 3.47Å; K458-Q462 VanDerWaalsContact O-CG 3.27Å; K458-Q462 WeakPolarHBondContact O-CG 3.44Å; K458-Q462 PolarHBondContact O-N 2.87Å; I459-Q462 CarbonylContact O-C 3.56Å; I459-Q462 PolarHBondContact O-N 2.95Å; Q462-Q464 VanDerWaalsContact C-N 3.35Å; Q462-Q464 PolarHBondContact O-N 3.46Å; Q462-S465 PolarHBondContact O-N 3.33Å; Q462-S465 PolarHBondContact O-OG 2.86Å; Q462-M466 WeakPolarHBondContact O-CB 3.37Å; Q462-M466 WeakPolarHBondContact O-CG 3.31Å; Q462-M466 PolarHBondContact O-N 2.84Å |
| 463 | L | 67.8 | Low | 66.3 | Low | 92 Ų | 92 | 107.6 Ų | 107.6 | 48% | 0.482 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65 | -38.2 | 176.6 | -121.7 | 155.8 | 0 | 0 | 0 | 111.4 | I459 R460 M466 Q467 | I459-L463 HydrophobicContact CG2-CD1 4.4Å; I459-L463 VanDerWaalsContact O-CB 3.31Å; I459-L463 WeakPolarHBondContact O-CB 3.37Å; I459-L463 PolarHBondContact O-N 2.96Å; R460-L463 CarbonylContact O-C 3.59Å; R460-L463 PolarHBondContact O-N 2.94Å; L463-M466 PolarHBondContact O-N 2.89Å; L463-Q467 HydrophobicContact CD2-CG 4.16Å; L463-Q467 VanDerWaalsContact O-CB 3.25Å; L463-Q467 WeakPolarHBondContact O-CB 3.31Å; L463-Q467 VanDerWaalsContact O-CG 3.27Å; L463-Q467 WeakPolarHBondContact O-CG 3.43Å; L463-Q467 PolarHBondContact O-N 3.44Å |
| 464 | Q | 70.8 | Confident | 64.2 | Low | 139 Ų | 139 | 107.6 Ų | 107.6 | 65% | 0.65 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.4 | -38.2 | 176.3 | -154.1 | 173.2 | 15.6 | 0 | 0 | 110.9 | R460 E461 Q462 S468 | R460-Q464 VanDerWaalsContact O-CB 3.32Å; R460-Q464 WeakPolarHBondContact O-CB 3.35Å; R460-Q464 PolarHBondContact O-N 3.35Å; E461-Q464 PolarHBondContact O-N 3.18Å; Q462-Q464 VanDerWaalsContact C-N 3.35Å; Q462-Q464 PolarHBondContact O-N 3.46Å; Q464-S468 PolarHBondContact O-N 2.89Å; Q464-S468 VanDerWaalsContact O-N 3.13Å |
| 465 | S | 69 | Low | 62.7 | Low | 67 Ų | 67 | 106.8 Ų | 106.8 | 47% | 0.469 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.4 | -42.1 | 171.6 | 84.2 | 0 | 0 | 0 | 0 | 111.7 | E461 Q462 S468 A469 | E461-S465 WeakPolarHBondContact O-CB 3.48Å; E461-S465 PolarHBondContact O-N 3.04Å; Q462-S465 PolarHBondContact O-N 3.33Å; Q462-S465 PolarHBondContact O-OG 2.86Å; S465-S468 PolarHBondContact O-N 2.9Å; S465-S468 PolarHBondContact O-OG 2.98Å; S465-A469 PolarHBondContact O-N 3.48Å |
| 466 | M | 55.6 | Low | 61.3 | Low | 125 Ų | 125 | 104.5 Ų | 104.5 | 62% | 0.616 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.7 | -37.2 | 178 | -76.9 | -141.4 | 65.3 | 0 | 0 | 112.1 | Q462 L463 S468 A469 A470 | Q462-M466 WeakPolarHBondContact O-CB 3.37Å; Q462-M466 WeakPolarHBondContact O-CG 3.31Å; Q462-M466 PolarHBondContact O-N 2.84Å; L463-M466 PolarHBondContact O-N 2.89Å; M466-S468 VanDerWaalsContact C-N 3.26Å; M466-S468 PolarHBondContact O-N 2.85Å; M466-A469 CarbonylContact O-C 3.58Å; M466-A469 PolarHBondContact O-N 3.1Å; M466-A469 VanDerWaalsContact O-N 3.07Å; M466-A470 WeakPolarHBondContact O-CB 3.48Å; M466-A470 PolarHBondContact O-N 3.32Å |
| 467 | Q | 60.3 | Low | 60.4 | Low | 135 Ų | 135 | 105.4 Ų | 105.4 | 63% | 0.631 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.2 | -34.3 | 174 | -82.8 | 177.7 | -15.5 | 0 | 0 | 111.4 | L463 A469 | L463-Q467 HydrophobicContact CD2-CG 4.16Å; L463-Q467 VanDerWaalsContact O-CB 3.25Å; L463-Q467 WeakPolarHBondContact O-CB 3.31Å; L463-Q467 VanDerWaalsContact O-CG 3.27Å; L463-Q467 WeakPolarHBondContact O-CG 3.43Å; L463-Q467 PolarHBondContact O-N 3.44Å; Q467-A469 VanDerWaalsContact C-N 3.33Å |
| 468 | S | 58.7 | Low | 59.4 | Low | 99 Ų | 99 | 107 Ų | 107 | 69% | 0.692 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.2 | -28.2 | 172.7 | 78.8 | 0 | 0 | 0 | 0 | 113.3 | Q464 S465 M466 | Q464-S468 PolarHBondContact O-N 2.89Å; Q464-S468 VanDerWaalsContact O-N 3.13Å; S465-S468 PolarHBondContact O-N 2.9Å; S465-S468 PolarHBondContact O-OG 2.98Å; M466-S468 VanDerWaalsContact C-N 3.26Å; M466-S468 PolarHBondContact O-N 2.85Å |
| 469 | A | 51.3 | Low | 58.6 | Low | 75 Ų | 75 | 106 Ų | 106 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -91.2 | -23 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S465 M466 Q467 | S465-A469 PolarHBondContact O-N 3.48Å; M466-A469 CarbonylContact O-C 3.58Å; M466-A469 PolarHBondContact O-N 3.1Å; M466-A469 VanDerWaalsContact O-N 3.07Å; Q467-A469 VanDerWaalsContact C-N 3.33Å |
| 470 | A | 45.6 | Very low | 58.3 | Low | 62 Ų | 62 | 106.6 Ų | 106.6 | 51% | 0.512 | 61% | 0.614 | S | S | . | * | trans | -87.3 | -1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | M466 A472 | M466-A470 WeakPolarHBondContact O-CB 3.48Å; M466-A470 PolarHBondContact O-N 3.32Å; A470-A472 PolarHBondContact O-N 2.89Å | ||
| 471 | A | 42.6 | Very low | 58.1 | Low | 99 Ų | 99 | 105.7 Ų | 105.7 | 82% | 0.818 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 7.9 | 172 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 472 | A | 41 | Very low | 58.1 | Low | 71 Ų | 71 | 104.3 Ų | 104.3 | 59% | 0.587 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.1 | 44.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A470 | A470-A472 PolarHBondContact O-N 2.89Š|
| 473 | Q | 41.6 | Very low | 58.5 | Low | 168 Ų | 168 | 101.4 Ų | 101.4 | 79% | 0.785 | 60% | 0.6 | S | S | * | * | trans | -158.4 | 143.2 | 153.3 | -82.7 | -47.6 | -60.6 | 0 | 0 | 112.1 | ||||
| 474 | P | 41.8 | Very low | 59 | Low | 112 Ų | 112 | 101 Ų | 101 | 73% | 0.727 | 60% | 0.599 | S | S | * | * | trans | -99.4 | 105.6 | -174.1 | 35.7 | -26.4 | 0 | 0 | 0 | 112.5 | ||||
| 475 | T | 48.8 | Very low | 59.4 | Low | 87 Ų | 87 | 100.4 Ų | 100.4 | 53% | 0.534 | 60% | 0.596 | S | S | . | * | trans | -126.9 | 58.9 | 162.4 | 51.9 | 0 | 0 | 0 | 0 | 110 | A477 E478 L479 | T475-A477 PolarHBondContact O-N 3.36Å; T475-E478 PolarHBondContact O-N 3.39Å; T475-L479 PolarHBondContact O-N 2.89Å | ||
| 476 | A | 53.7 | Low | 60 | Low | 73 Ų | 73 | 102.5 Ų | 102.5 | 60% | 0.603 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.1 | -26.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | D480 | A476-D480 PolarHBondContact O-N 3.45Å; A476-D480 VanDerWaalsContact O-N 3.08Å |
| 477 | A | 56.7 | Low | 61.3 | Low | 78 Ų | 78 | 104 Ų | 104 | 65% | 0.645 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -80.4 | -29.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T475 | T475-A477 PolarHBondContact O-N 3.36Å |
| 478 | E | 57.9 | Low | 62.4 | Low | 135 Ų | 135 | 101.2 Ų | 101.2 | 63% | 0.631 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -77.1 | -34.3 | 172 | -69.7 | 178.1 | 167.7 | 0 | 0 | 110.4 | T475 K481 L482 | T475-E478 PolarHBondContact O-N 3.39Å; E478-K481 PolarHBondContact O-N 3.13Å; E478-L482 PolarHBondContact O-N 3Å; E478-L482 VanDerWaalsContact O-N 3.1Å |
| 479 | L | 63.7 | Low | 63.6 | Low | 114 Ų | 114 | 99 Ų | 99 | 60% | 0.597 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.7 | -42.8 | 175.8 | -149.3 | 79 | 0 | 0 | 0 | 112 | T475 K481 L482 V483 | T475-L479 PolarHBondContact O-N 2.89Å; L479-K481 PolarHBondContact O-N 2.89Å; L479-L482 PolarHBondContact O-N 2.91Å; L479-V483 WeakPolarHBondContact O-CB 3.34Å; L479-V483 WeakPolarHBondContact O-CG2 3.24Å; L479-V483 PolarHBondContact O-N 3.44Å |
| 480 | D | 71.1 | Confident | 65.2 | Low | 105 Ų | 105 | 100.6 Ų | 100.6 | 56% | 0.561 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.9 | -39.2 | 178.3 | -98.9 | -8.8 | 0 | 0 | 0 | 112.6 | A476 V483 D484 | A476-D480 PolarHBondContact O-N 3.45Å; A476-D480 VanDerWaalsContact O-N 3.08Å; D480-V483 PolarHBondContact O-N 2.83Å; D480-D484 PolarHBondContact O-N 3.32Å |
| 481 | K | 73.2 | Confident | 67.2 | Low | 149 Ų | 149 | 103.7 Ų | 103.7 | 65% | 0.648 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.7 | -44.2 | 174.1 | -78.3 | -174.7 | 177.8 | -178.9 | 0 | 112.3 | E478 L479 V483 D484 E485 | E478-K481 PolarHBondContact O-N 3.13Å; L479-K481 PolarHBondContact O-N 2.89Å; K481-V483 VanDerWaalsContact C-N 3.28Å; K481-V483 PolarHBondContact O-N 2.82Å; K481-D484 PolarHBondContact O-N 3.38Å; K481-E485 WeakPolarHBondContact O-CB 3.47Å; K481-E485 WeakPolarHBondContact O-CG 3.45Å; K481-E485 PolarHBondContact O-N 3.39Å |
| 482 | L | 77.1 | Confident | 69.2 | Low | 96 Ų | 96 | 103.9 Ų | 103.9 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.5 | -36.9 | 175.4 | -106.6 | 151.6 | 0 | 0 | 0 | 111.9 | E478 L479 L486 | E478-L482 PolarHBondContact O-N 3Å; E478-L482 VanDerWaalsContact O-N 3.1Å; L479-L482 PolarHBondContact O-N 2.91Å; L482-L486 VanDerWaalsContact O-CB 3.27Å; L482-L486 WeakPolarHBondContact O-CB 3.46Å; L482-L486 VanDerWaalsContact O-CG 3.29Å; L482-L486 WeakPolarHBondContact O-CG 3.39Å; L482-L486 PolarHBondContact O-N 3.25Å |
| 483 | V | 79.9 | Confident | 71.3 | Confident | 49 Ų | 49 | 102.4 Ų | 102.4 | 30% | 0.297 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.8 | -41.8 | 175 | 167.2 | 0 | 0 | 0 | 0 | 111 | L479 D480 K481 L486 R487 | L479-V483 WeakPolarHBondContact O-CB 3.34Å; L479-V483 WeakPolarHBondContact O-CG2 3.24Å; L479-V483 PolarHBondContact O-N 3.44Å; D480-V483 PolarHBondContact O-N 2.83Å; K481-V483 VanDerWaalsContact C-N 3.28Å; K481-V483 PolarHBondContact O-N 2.82Å; V483-L486 PolarHBondContact O-N 3.34Å; V483-R487 WeakPolarHBondContact O-CB 3.21Å; V483-R487 WeakPolarHBondContact O-CG 3.45Å; V483-R487 PolarHBondContact O-N 2.82Å |
| 484 | D | 78.9 | Confident | 73.2 | Confident | 84 Ų | 84 | 98.1 Ų | 98.1 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.5 | -39.3 | 177.1 | -76 | -18.9 | 0 | 0 | 0 | 112.3 | D480 K481 L486 R487 T488 | D480-D484 PolarHBondContact O-N 3.32Å; K481-D484 PolarHBondContact O-N 3.38Å; D484-L486 VanDerWaalsContact C-N 3.35Å; D484-R487 WeakPolarHBondContact O-CB 3.33Å; D484-R487 PolarHBondContact O-N 2.88Å; D484-R487 IonicContact OD1-CZ 3.18Å; D484-R487 IonicContact OD1-NH1 3.59Å; D484-R487 PolarHBondContact OD1-NH1 3.41Å; D484-T488 WeakPolarHBondContact O-CG2 3.25Å; D484-T488 PolarHBondContact O-N 2.97Å; D484-T488 PolarHBondContact O-OG1 3.49Å |
| 485 | E | 79.1 | Confident | 75.4 | Confident | 125 Ų | 125 | 95.9 Ų | 95.9 | 58% | 0.584 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.8 | -39.1 | 171.2 | -75.7 | 176 | -172.8 | 0 | 0 | 112.1 | K481 T488 A489 | K481-E485 WeakPolarHBondContact O-CB 3.47Å; K481-E485 WeakPolarHBondContact O-CG 3.45Å; K481-E485 PolarHBondContact O-N 3.39Å; E485-T488 WeakPolarHBondContact CA-OG1 3.49Å; E485-T488 PolarHBondContact O-OG1 2.91Å; E485-A489 WeakPolarHBondContact O-CB 3.3Å; E485-A489 PolarHBondContact O-N 3.44Å |
| 486 | L | 81.4 | Confident | 77.3 | Confident | 112 Ų | 112 | 99.4 Ų | 99.4 | 59% | 0.586 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.5 | -36.9 | 172.8 | -82.2 | 166.9 | 0 | 0 | 0 | 111.9 | L482 V483 D484 N490 | L482-L486 VanDerWaalsContact O-CB 3.27Å; L482-L486 WeakPolarHBondContact O-CB 3.46Å; L482-L486 VanDerWaalsContact O-CG 3.29Å; L482-L486 WeakPolarHBondContact O-CG 3.39Å; L482-L486 PolarHBondContact O-N 3.25Å; V483-L486 PolarHBondContact O-N 3.34Å; D484-L486 VanDerWaalsContact C-N 3.35Å; L486-N490 WeakPolarHBondContact O-CB 3.5Å; L486-N490 PolarHBondContact O-N 2.99Å |
| 487 | R | 83.7 | Confident | 78.9 | Confident | 157 Ų | 157 | 100.4 Ų | 100.4 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.1 | -42.6 | 175.8 | -77.1 | 167.1 | 176.2 | 166.3 | 0.2 | 111.5 | V483 D484 N490 L491 | V483-R487 WeakPolarHBondContact O-CB 3.21Å; V483-R487 WeakPolarHBondContact O-CG 3.45Å; V483-R487 PolarHBondContact O-N 2.82Å; D484-R487 WeakPolarHBondContact O-CB 3.33Å; D484-R487 PolarHBondContact O-N 2.88Å; D484-R487 IonicContact OD1-CZ 3.18Å; D484-R487 IonicContact OD1-NH1 3.59Å; D484-R487 PolarHBondContact OD1-NH1 3.41Å; R487-N490 PolarHBondContact O-N 3.3Å; R487-L491 VanDerWaalsContact O-CB 3.31Å; R487-L491 WeakPolarHBondContact O-CB 3.37Å; R487-L491 PolarHBondContact O-N 2.99Å |
| 488 | T | 83.3 | Confident | 80.5 | Confident | 76 Ų | 76 | 99.3 Ų | 99.3 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 175.5 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | D484 E485 N490 L491 E492 | D484-T488 WeakPolarHBondContact O-CG2 3.25Å; D484-T488 PolarHBondContact O-N 2.97Å; D484-T488 PolarHBondContact O-OG1 3.49Å; E485-T488 WeakPolarHBondContact CA-OG1 3.49Å; E485-T488 PolarHBondContact O-OG1 2.91Å; T488-N490 VanDerWaalsContact C-N 3.31Å; T488-N490 PolarHBondContact O-N 2.83Å; T488-L491 PolarHBondContact O-N 3.24Å; T488-E492 WeakPolarHBondContact O-CB 3.32Å; T488-E492 WeakPolarHBondContact O-CG 3.3Å; T488-E492 PolarHBondContact O-N 3.3Å |
| 489 | A | 82.6 | Confident | 82.1 | Confident | 51 Ų | 51 | 96.9 Ų | 96.9 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | E485 E492 A493 | E485-A489 WeakPolarHBondContact O-CB 3.3Å; E485-A489 PolarHBondContact O-N 3.44Å; A489-E492 PolarHBondContact O-N 3.36Å; A489-A493 VanDerWaalsContact O-CB 3.29Å; A489-A493 WeakPolarHBondContact O-CB 3.5Å; A489-A493 PolarHBondContact O-N 3.47Å |
| 490 | N | 85.7 | Confident | 83.4 | Confident | 109 Ų | 109 | 95.7 Ų | 95.7 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.2 | -37.5 | 176.7 | -169 | 42.6 | 0 | 0 | 0 | 112.1 | L486 R487 T488 A493 C494 | L486-N490 WeakPolarHBondContact O-CB 3.5Å; L486-N490 PolarHBondContact O-N 2.99Å; R487-N490 PolarHBondContact O-N 3.3Å; T488-N490 VanDerWaalsContact C-N 3.31Å; T488-N490 PolarHBondContact O-N 2.83Å; N490-A493 PolarHBondContact O-N 2.88Å; N490-C494 WeakPolarHBondContact O-CB 3.41Å; N490-C494 PolarHBondContact O-N 3.43Å |
| 491 | L | 87.2 | Confident | 84.3 | Confident | 128 Ų | 128 | 95.8 Ų | 95.8 | 67% | 0.67 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.7 | -42.9 | 173.9 | -169.9 | 71.8 | 0 | 0 | 0 | 111 | R487 T488 C494 S495 | R487-L491 VanDerWaalsContact O-CB 3.31Å; R487-L491 WeakPolarHBondContact O-CB 3.37Å; R487-L491 PolarHBondContact O-N 2.99Å; T488-L491 PolarHBondContact O-N 3.24Å; L491-C494 PolarHBondContact O-N 2.89Å; L491-S495 WeakPolarHBondContact O-CB 3.29Å; L491-S495 PolarHBondContact O-N 2.87Å; L491-S495 PolarHBondContact O-OG 2.87Å |
| 492 | E | 85.4 | Confident | 85.1 | Confident | 103 Ų | 103 | 94.7 Ų | 94.7 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 173.9 | -75.2 | -178.7 | -162.3 | 0 | 0 | 111.4 | T488 A489 S495 R496 | T488-E492 WeakPolarHBondContact O-CB 3.32Å; T488-E492 WeakPolarHBondContact O-CG 3.3Å; T488-E492 PolarHBondContact O-N 3.3Å; A489-E492 PolarHBondContact O-N 3.36Å; E492-S495 WeakPolarHBondContact CA-OG 3.49Å; E492-S495 PolarHBondContact O-N 3.33Å; E492-S495 PolarHBondContact O-OG 2.83Å; E492-R496 PolarHBondContact O-N 3.29Å; E492-R496 IonicContact OE2-NH1 2.78Å |
| 493 | A | 84.7 | Confident | 85.8 | Confident | 40 Ų | 40 | 94.3 Ų | 94.3 | 33% | 0.331 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A489 N490 S495 R496 N497 | A489-A493 VanDerWaalsContact O-CB 3.29Å; A489-A493 WeakPolarHBondContact O-CB 3.5Å; A489-A493 PolarHBondContact O-N 3.47Å; N490-A493 PolarHBondContact O-N 2.88Å; A493-S495 PolarHBondContact O-N 2.64Å; A493-R496 PolarHBondContact O-N 2.88Å; A493-N497 WeakPolarHBondContact O-CB 3.4Å; A493-N497 VanDerWaalsContact O-CG 3.25Å; A493-N497 PolarHBondContact O-N 3.42Å; A493-N497 PolarHBondContact O-ND2 3.3Å |
| 494 | C | 82.3 | Confident | 86.3 | Confident | 77 Ų | 77 | 96.1 Ų | 96.1 | 52% | 0.52 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 173.2 | -108 | 0 | 0 | 0 | 0 | 111.9 | N490 L491 N497 A498 | N490-C494 WeakPolarHBondContact O-CB 3.41Å; N490-C494 PolarHBondContact O-N 3.43Å; L491-C494 PolarHBondContact O-N 2.89Å; C494-N497 PolarHBondContact O-N 3.28Å; C494-A498 WeakPolarHBondContact O-CB 3.37Å; C494-A498 PolarHBondContact O-N 2.94Å |
| 495 | S | 86.4 | Confident | 86.9 | Confident | 66 Ų | 66 | 96.8 Ų | 96.8 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 178.2 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | L491 E492 A493 A498 V499 | L491-S495 WeakPolarHBondContact O-CB 3.29Å; L491-S495 PolarHBondContact O-N 2.87Å; L491-S495 PolarHBondContact O-OG 2.87Å; E492-S495 WeakPolarHBondContact CA-OG 3.49Å; E492-S495 PolarHBondContact O-N 3.33Å; E492-S495 PolarHBondContact O-OG 2.83Å; A493-S495 PolarHBondContact O-N 2.64Å; S495-A498 PolarHBondContact O-N 2.9Å; S495-V499 WeakPolarHBondContact O-CG2 3.49Å; S495-V499 PolarHBondContact O-N 3.47Å; S495-V499 VanDerWaalsContact O-N 3.07Å |
| 496 | R | 88.5 | Confident | 87.4 | Confident | 161 Ų | 161 | 96.3 Ų | 96.3 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 172.4 | -81.5 | 178.8 | 164.3 | 108.3 | -4.2 | 111.8 | E492 A493 A498 V499 L500 | E492-R496 PolarHBondContact O-N 3.29Å; E492-R496 IonicContact OE2-NH1 2.78Å; A493-R496 PolarHBondContact O-N 2.88Å; R496-A498 VanDerWaalsContact C-N 3.32Å; R496-A498 PolarHBondContact O-N 3.36Å; R496-V499 PolarHBondContact O-N 3.41Å; R496-L500 WeakPolarHBondContact O-CB 3.5Å; R496-L500 WeakPolarHBondContact O-CG 3.49Å; R496-L500 PolarHBondContact O-N 2.97Å |
| 497 | N | 87.3 | Confident | 87.9 | Confident | 94 Ų | 94 | 97.5 Ų | 97.5 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 177 | -73.7 | -21.5 | 0 | 0 | 0 | 112 | A493 C494 L500 L501 | A493-N497 WeakPolarHBondContact O-CB 3.4Å; A493-N497 VanDerWaalsContact O-CG 3.25Å; A493-N497 PolarHBondContact O-N 3.42Å; A493-N497 PolarHBondContact O-ND2 3.3Å; C494-N497 PolarHBondContact O-N 3.28Å; N497-L500 PolarHBondContact O-N 3.46Å; N497-L501 WeakPolarHBondContact O-CB 3.33Å; N497-L501 VanDerWaalsContact O-CG 3.27Å; N497-L501 WeakPolarHBondContact O-CG 3.26Å; N497-L501 PolarHBondContact O-N 2.9Å |
| 498 | A | 90.8 | Very high | 88.3 | Confident | 55 Ų | 55 | 94.3 Ų | 94.3 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C494 S495 R496 L501 E502 | C494-A498 WeakPolarHBondContact O-CB 3.37Å; C494-A498 PolarHBondContact O-N 2.94Å; S495-A498 PolarHBondContact O-N 2.9Å; R496-A498 VanDerWaalsContact C-N 3.32Å; R496-A498 PolarHBondContact O-N 3.36Å; A498-L501 PolarHBondContact O-N 2.96Å; A498-E502 PolarHBondContact O-N 2.85Å |
| 499 | V | 91.8 | Very high | 88.8 | Confident | 84 Ų | 84 | 95.2 Ų | 95.2 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 176.1 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | S495 R496 L501 E502 E503 | S495-V499 WeakPolarHBondContact O-CG2 3.49Å; S495-V499 PolarHBondContact O-N 3.47Å; S495-V499 VanDerWaalsContact O-N 3.07Å; R496-V499 PolarHBondContact O-N 3.41Å; V499-L501 VanDerWaalsContact C-N 3.35Å; V499-L501 PolarHBondContact O-N 2.88Å; V499-E502 WeakPolarHBondContact O-CB 3.42Å; V499-E502 PolarHBondContact O-N 3.47Å; V499-E502 VanDerWaalsContact O-N 3.16Å; V499-E503 PolarHBondContact O-N 3.32Å |
| 500 | L | 90.9 | Very high | 89.2 | Confident | 88 Ų | 88 | 96.6 Ų | 96.6 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 177.8 | -72.7 | 173.3 | 0 | 0 | 0 | 112.4 | R496 N497 E502 E503 I504 | R496-L500 WeakPolarHBondContact O-CB 3.5Å; R496-L500 WeakPolarHBondContact O-CG 3.49Å; R496-L500 PolarHBondContact O-N 2.97Å; N497-L500 PolarHBondContact O-N 3.46Å; L500-E502 VanDerWaalsContact C-N 3.31Å; L500-E503 PolarHBondContact O-N 3.33Å; L500-I504 WeakPolarHBondContact O-CB 3.36Å; L500-I504 VanDerWaalsContact O-CG1 3.23Å; L500-I504 WeakPolarHBondContact O-CG1 3.36Å; L500-I504 PolarHBondContact O-N 3.22Å |
| 501 | L | 90.3 | Very high | 89.5 | Confident | 107 Ų | 107 | 97 Ų | 97 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -37.6 | 173.9 | -76.1 | 170.8 | 0 | 0 | 0 | 111.6 | N497 A498 V499 I504 N505 | N497-L501 WeakPolarHBondContact O-CB 3.33Å; N497-L501 VanDerWaalsContact O-CG 3.27Å; N497-L501 WeakPolarHBondContact O-CG 3.26Å; N497-L501 PolarHBondContact O-N 2.9Å; A498-L501 PolarHBondContact O-N 2.96Å; V499-L501 VanDerWaalsContact C-N 3.35Å; V499-L501 PolarHBondContact O-N 2.88Å; L501-I504 PolarHBondContact O-N 3.43Å; L501-N505 WeakPolarHBondContact O-CB 3.44Å; L501-N505 VanDerWaalsContact O-CG 3.27Å; L501-N505 PolarHBondContact O-N 2.89Å; L501-N505 PolarHBondContact O-ND2 3.04Å; L501-N505 VanDerWaalsContact O-ND2 3.13Å |
| 502 | E | 89.6 | Confident | 89.8 | Confident | 127 Ų | 127 | 97.8 Ų | 97.8 | 59% | 0.593 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.3 | -41.3 | 175.8 | -162.9 | 131.8 | -159.5 | 0 | 0 | 111.7 | A498 V499 L500 N505 Q506 | A498-E502 PolarHBondContact O-N 2.85Å; V499-E502 WeakPolarHBondContact O-CB 3.42Å; V499-E502 PolarHBondContact O-N 3.47Å; V499-E502 VanDerWaalsContact O-N 3.16Å; L500-E502 VanDerWaalsContact C-N 3.31Å; E502-N505 PolarHBondContact O-N 3.41Å; E502-Q506 WeakPolarHBondContact O-CB 3.26Å; E502-Q506 VanDerWaalsContact O-CG 3.28Å; E502-Q506 WeakPolarHBondContact O-CG 3.28Å; E502-Q506 PolarHBondContact O-N 3.4Å |
| 503 | E | 92 | Very high | 90.2 | Very high | 87 Ų | 87 | 98 Ų | 98 | 41% | 0.407 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 172.2 | -73.6 | -176.6 | -172.1 | 0 | 0 | 112.6 | V499 L500 Q506 K507 | V499-E503 PolarHBondContact O-N 3.32Å; L500-E503 PolarHBondContact O-N 3.33Å; E503-Q506 PolarHBondContact O-N 3.41Å; E503-K507 WeakPolarHBondContact O-CB 3.27Å; E503-K507 WeakPolarHBondContact O-CG 3.45Å; E503-K507 PolarHBondContact O-N 3.2Å |
| 504 | I | 91 | Very high | 90.4 | Very high | 87 Ų | 87 | 99.9 Ų | 99.9 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -48 | 175.4 | -71.8 | 166.2 | 0 | 0 | 0 | 109.9 | L500 L501 Q506 K507 E508 | L500-I504 WeakPolarHBondContact O-CB 3.36Å; L500-I504 VanDerWaalsContact O-CG1 3.23Å; L500-I504 WeakPolarHBondContact O-CG1 3.36Å; L500-I504 PolarHBondContact O-N 3.22Å; L501-I504 PolarHBondContact O-N 3.43Å; I504-Q506 VanDerWaalsContact C-N 3.3Å; I504-Q506 PolarHBondContact O-N 3.39Å; I504-K507 PolarHBondContact O-N 3.23Å; I504-E508 HydrophobicContact CG2-CG 4.34Å; I504-E508 WeakPolarHBondContact O-CB 3.45Å; I504-E508 WeakPolarHBondContact O-CG 3.36Å; I504-E508 PolarHBondContact O-N 2.9Å |
| 505 | N | 90.3 | Very high | 91 | Very high | 98 Ų | 98 | 102.4 Ų | 102.4 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 177.6 | -78.4 | -35.5 | 0 | 0 | 0 | 112.1 | L501 E502 L509 | L501-N505 WeakPolarHBondContact O-CB 3.44Å; L501-N505 VanDerWaalsContact O-CG 3.27Å; L501-N505 PolarHBondContact O-N 2.89Å; L501-N505 PolarHBondContact O-ND2 3.04Å; L501-N505 VanDerWaalsContact O-ND2 3.13Å; E502-N505 PolarHBondContact O-N 3.41Å; N505-L509 VanDerWaalsContact O-CB 3.24Å; N505-L509 WeakPolarHBondContact O-CB 3.45Å; N505-L509 PolarHBondContact O-N 2.87Å |
| 506 | Q | 90.3 | Very high | 91.3 | Very high | 116 Ų | 116 | 101.8 Ų | 101.8 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 173.9 | -75.2 | 176.3 | 14.1 | 0 | 0 | 111.5 | E502 E503 I504 E508 L509 D510 | E502-Q506 WeakPolarHBondContact O-CB 3.26Å; E502-Q506 VanDerWaalsContact O-CG 3.28Å; E502-Q506 WeakPolarHBondContact O-CG 3.28Å; E502-Q506 PolarHBondContact O-N 3.4Å; E503-Q506 PolarHBondContact O-N 3.41Å; I504-Q506 VanDerWaalsContact C-N 3.3Å; I504-Q506 PolarHBondContact O-N 3.39Å; Q506-E508 PolarHBondContact O-N 2.85Å; Q506-L509 PolarHBondContact O-N 3.23Å; Q506-D510 PolarHBondContact O-N 3.44Å |
| 507 | K | 91.8 | Very high | 91.6 | Very high | 136 Ų | 136 | 100.4 Ų | 100.4 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -38.9 | 176.2 | -75.8 | 174.7 | -179 | 165.5 | 0 | 112.7 | E503 I504 L509 D510 L511 | E503-K507 WeakPolarHBondContact O-CB 3.27Å; E503-K507 WeakPolarHBondContact O-CG 3.45Å; E503-K507 PolarHBondContact O-N 3.2Å; I504-K507 PolarHBondContact O-N 3.23Å; K507-L509 VanDerWaalsContact C-N 3.34Å; K507-D510 PolarHBondContact O-N 3.43Å; K507-L511 VanDerWaalsContact O-CB 3.32Å; K507-L511 WeakPolarHBondContact O-CB 3.46Å; K507-L511 WeakPolarHBondContact O-CG 3.01Å; K507-L511 PolarHBondContact O-N 3.47Å |
| 508 | E | 92.9 | Very high | 91.8 | Very high | 91 Ų | 91 | 100.5 Ų | 100.5 | 43% | 0.425 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 173.8 | -76.7 | -171.9 | -177.5 | 0 | 0 | 111.9 | I504 Q506 L511 K512 | I504-E508 HydrophobicContact CG2-CG 4.34Å; I504-E508 WeakPolarHBondContact O-CB 3.45Å; I504-E508 WeakPolarHBondContact O-CG 3.36Å; I504-E508 PolarHBondContact O-N 2.9Å; Q506-E508 PolarHBondContact O-N 2.85Å; E508-L511 PolarHBondContact O-N 3.35Å; E508-K512 WeakPolarHBondContact O-CB 3.41Å; E508-K512 VanDerWaalsContact O-CG 3.26Å; E508-K512 WeakPolarHBondContact O-CG 3.25Å; E508-K512 PolarHBondContact O-N 2.97Å |
| 509 | L | 92.6 | Very high | 91.9 | Very high | 94 Ų | 94 | 103.1 Ų | 103.1 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 177 | -175.7 | 135.5 | 0 | 0 | 0 | 111.1 | N505 Q506 K507 K512 K513 | N505-L509 VanDerWaalsContact O-CB 3.24Å; N505-L509 WeakPolarHBondContact O-CB 3.45Å; N505-L509 PolarHBondContact O-N 2.87Å; Q506-L509 PolarHBondContact O-N 3.23Å; K507-L509 VanDerWaalsContact C-N 3.34Å; L509-K512 PolarHBondContact O-N 3.47Å; L509-K513 HydrophobicContact CD2-CD 4.36Å; L509-K513 WeakPolarHBondContact O-CG 3.39Å; L509-K513 PolarHBondContact O-N 3.03Å |
| 510 | D | 91.6 | Very high | 92 | Very high | 81 Ų | 81 | 104.6 Ų | 104.6 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71 | -37.6 | 174.6 | -69.9 | -23.9 | 0 | 0 | 0 | 112.6 | Q506 K507 K512 K513 T514 | Q506-D510 PolarHBondContact O-N 3.44Å; K507-D510 PolarHBondContact O-N 3.43Å; D510-K512 VanDerWaalsContact C-N 3.34Å; D510-K512 PolarHBondContact O-N 2.87Å; D510-K513 WeakPolarHBondContact O-CB 3.46Å; D510-K513 PolarHBondContact O-N 3.4Å; D510-K513 IonicContact OD1-NZ 3.46Å; D510-K513 PolarHBondContact OD1-NZ 3.35Å; D510-T514 WeakPolarHBondContact O-CG2 3.2Å; D510-T514 PolarHBondContact O-N 2.91Å; D510-T514 PolarHBondContact O-OG1 2.96Å |
| 511 | L | 91.1 | Very high | 92 | Very high | 118 Ų | 118 | 106.5 Ų | 106.5 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.4 | -40.1 | 170.2 | -89.1 | 166 | 0 | 0 | 0 | 112.2 | K507 E508 K513 T514 K515 | K507-L511 VanDerWaalsContact O-CB 3.32Å; K507-L511 WeakPolarHBondContact O-CB 3.46Å; K507-L511 WeakPolarHBondContact O-CG 3.01Å; K507-L511 PolarHBondContact O-N 3.47Å; E508-L511 PolarHBondContact O-N 3.35Å; L511-K513 VanDerWaalsContact C-N 3.34Å; L511-T514 WeakPolarHBondContact CA-OG1 3.32Å; L511-T514 PolarHBondContact O-N 2.84Å; L511-T514 PolarHBondContact O-OG1 3.47Å; L511-T514 VanDerWaalsContact O-OG1 3.04Å; L511-K515 VanDerWaalsContact O-CB 3.24Å; L511-K515 WeakPolarHBondContact O-CB 3.4Å; L511-K515 PolarHBondContact O-N 3.3Å |
| 512 | K | 94.3 | Very high | 92 | Very high | 143 Ų | 143 | 107 Ų | 107 | 62% | 0.622 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -40.6 | 173.7 | -76.5 | 166.8 | -176.9 | 162 | 0 | 111.3 | E508 L509 D510 A516 | E508-K512 WeakPolarHBondContact O-CB 3.41Å; E508-K512 VanDerWaalsContact O-CG 3.26Å; E508-K512 WeakPolarHBondContact O-CG 3.25Å; E508-K512 PolarHBondContact O-N 2.97Å; L509-K512 PolarHBondContact O-N 3.47Å; D510-K512 VanDerWaalsContact C-N 3.34Å; D510-K512 PolarHBondContact O-N 2.87Å; K512-A516 WeakPolarHBondContact O-CB 3.42Å; K512-A516 PolarHBondContact O-N 2.94Å |
| 513 | K | 93.3 | Very high | 92.1 | Very high | 107 Ų | 107 | 103.9 Ų | 103.9 | 47% | 0.465 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 175.2 | -70.9 | 173.3 | -166.5 | 154.7 | 0 | 112.3 | L509 D510 L511 A516 K517 | L509-K513 HydrophobicContact CD2-CD 4.36Å; L509-K513 WeakPolarHBondContact O-CG 3.39Å; L509-K513 PolarHBondContact O-N 3.03Å; D510-K513 WeakPolarHBondContact O-CB 3.46Å; D510-K513 PolarHBondContact O-N 3.4Å; D510-K513 IonicContact OD1-NZ 3.46Å; D510-K513 PolarHBondContact OD1-NZ 3.35Å; L511-K513 VanDerWaalsContact C-N 3.34Å; K513-A516 PolarHBondContact O-N 3.43Å; K513-K517 WeakPolarHBondContact O-CG 3.33Å; K513-K517 PolarHBondContact O-N 2.88Å; K513-K517 VanDerWaalsContact O-N 3.08Å |
| 514 | T | 90.6 | Very high | 92.1 | Very high | 81 Ų | 81 | 105 Ų | 105 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.8 | -37.6 | 179.8 | 56 | 0 | 0 | 0 | 0 | 111.6 | D510 L511 K517 L518 | D510-T514 WeakPolarHBondContact O-CG2 3.2Å; D510-T514 PolarHBondContact O-N 2.91Å; D510-T514 PolarHBondContact O-OG1 2.96Å; L511-T514 WeakPolarHBondContact CA-OG1 3.32Å; L511-T514 PolarHBondContact O-N 2.84Å; L511-T514 PolarHBondContact O-OG1 3.47Å; L511-T514 VanDerWaalsContact O-OG1 3.04Å; T514-K517 PolarHBondContact O-N 2.89Å; T514-L518 PolarHBondContact O-N 3.28Å |
| 515 | K | 93.8 | Very high | 92.1 | Very high | 130 Ų | 130 | 107.1 Ų | 107.1 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.3 | -45.2 | 173.3 | -172.4 | 177.5 | 177.6 | -176.2 | 0 | 112.1 | L511 K517 L518 E519 | L511-K515 VanDerWaalsContact O-CB 3.24Å; L511-K515 WeakPolarHBondContact O-CB 3.4Å; L511-K515 PolarHBondContact O-N 3.3Å; K515-K517 VanDerWaalsContact C-N 3.32Å; K515-K517 PolarHBondContact O-N 3.03Å; K515-L518 WeakPolarHBondContact O-CB 3.34Å; K515-L518 PolarHBondContact O-N 3.31Å; K515-L518 VanDerWaalsContact O-N 3.15Å; K515-E519 WeakPolarHBondContact CE-OE1 3.46Å; K515-E519 WeakPolarHBondContact O-CG 3.35Å; K515-E519 PolarHBondContact O-N 3.06Å |
| 516 | A | 93.7 | Very high | 92.2 | Very high | 53 Ų | 53 | 109.7 Ų | 109.7 | 44% | 0.438 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K512 K513 E519 E520 | K512-A516 WeakPolarHBondContact O-CB 3.42Å; K512-A516 PolarHBondContact O-N 2.94Å; K513-A516 PolarHBondContact O-N 3.43Å; A516-E519 PolarHBondContact O-N 3.3Å; A516-E520 WeakPolarHBondContact O-CB 3.37Å; A516-E520 PolarHBondContact O-N 2.94Å |
| 517 | K | 94.2 | Very high | 92.3 | Very high | 132 Ų | 132 | 106.8 Ų | 106.8 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -36.6 | 174.1 | -72.3 | 175.4 | 180 | -174.6 | 0 | 112.8 | K513 T514 K515 E520 Q521 | K513-K517 WeakPolarHBondContact O-CG 3.33Å; K513-K517 PolarHBondContact O-N 2.88Å; K513-K517 VanDerWaalsContact O-N 3.08Å; T514-K517 PolarHBondContact O-N 2.89Å; K515-K517 VanDerWaalsContact C-N 3.32Å; K515-K517 PolarHBondContact O-N 3.03Å; K517-E520 PolarHBondContact O-N 3.25Å; K517-Q521 WeakPolarHBondContact O-CG 3.37Å; K517-Q521 PolarHBondContact O-N 2.96Å |
| 518 | L | 92 | Very high | 92.1 | Very high | 96 Ų | 96 | 104.5 Ų | 104.5 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67 | -45 | 176.9 | -172.7 | 70 | 0 | 0 | 0 | 110.9 | T514 K515 E520 Q521 E522 | T514-L518 PolarHBondContact O-N 3.28Å; K515-L518 WeakPolarHBondContact O-CB 3.34Å; K515-L518 PolarHBondContact O-N 3.31Å; K515-L518 VanDerWaalsContact O-N 3.15Å; L518-E520 VanDerWaalsContact C-N 3.29Å; L518-E520 PolarHBondContact O-N 2.88Å; L518-Q521 PolarHBondContact O-N 2.92Å; L518-E522 WeakPolarHBondContact O-CG 3.39Å; L518-E522 PolarHBondContact O-N 3.26Å |
| 519 | E | 92.6 | Very high | 92.1 | Very high | 109 Ų | 109 | 105 Ų | 105 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -36.9 | 175.3 | -70.7 | 173 | -174.1 | 0 | 0 | 111.8 | K515 A516 A523 | K515-E519 WeakPolarHBondContact CE-OE1 3.46Å; K515-E519 WeakPolarHBondContact O-CG 3.35Å; K515-E519 PolarHBondContact O-N 3.06Å; A516-E519 PolarHBondContact O-N 3.3Å; E519-A523 WeakPolarHBondContact O-CB 3.34Å; E519-A523 PolarHBondContact O-N 3.5Å |
| 520 | E | 93.3 | Very high | 91.9 | Very high | 116 Ų | 116 | 103 Ų | 103 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 172.2 | -175.2 | 175.5 | -160.1 | 0 | 0 | 111.7 | A516 K517 L518 E522 A523 E524 | A516-E520 WeakPolarHBondContact O-CB 3.37Å; A516-E520 PolarHBondContact O-N 2.94Å; K517-E520 PolarHBondContact O-N 3.25Å; L518-E520 VanDerWaalsContact C-N 3.29Å; L518-E520 PolarHBondContact O-N 2.88Å; E520-E522 VanDerWaalsContact C-N 3.34Å; E520-E522 PolarHBondContact O-N 2.8Å; E520-A523 PolarHBondContact O-N 2.9Å; E520-E524 WeakPolarHBondContact O-CG 3.41Å; E520-E524 PolarHBondContact O-N 3.37Å |
| 521 | Q | 90 | Very high | 92 | Very high | 127 Ų | 127 | 105.1 Ų | 105.1 | 59% | 0.593 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.8 | -34.3 | 177.3 | -72.8 | -162.7 | -38.3 | 0 | 0 | 113.3 | K517 L518 K525 | K517-Q521 WeakPolarHBondContact O-CG 3.37Å; K517-Q521 PolarHBondContact O-N 2.96Å; L518-Q521 PolarHBondContact O-N 2.92Å; Q521-K525 VanDerWaalsContact O-CB 3.28Å; Q521-K525 WeakPolarHBondContact O-CB 3.42Å; Q521-K525 PolarHBondContact O-N 2.91Å |
| 522 | E | 92 | Very high | 91.8 | Very high | 118 Ų | 118 | 104.9 Ų | 104.9 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.5 | -40.2 | 174.5 | -74.4 | 179.6 | 174.6 | 0 | 0 | 111.9 | L518 E520 K525 F526 | L518-E522 WeakPolarHBondContact O-CG 3.39Å; L518-E522 PolarHBondContact O-N 3.26Å; E520-E522 VanDerWaalsContact C-N 3.34Å; E520-E522 PolarHBondContact O-N 2.8Å; E522-K525 PolarHBondContact O-N 3.43Å; E522-F526 WeakPolarHBondContact O-CB 3.42Å; E522-F526 PolarHBondContact O-N 3.24Å |
| 523 | A | 90.8 | Very high | 91.7 | Very high | 62 Ų | 62 | 102 Ų | 102 | 51% | 0.512 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E519 E520 F526 S527 | E519-A523 WeakPolarHBondContact O-CB 3.34Å; E519-A523 PolarHBondContact O-N 3.5Å; E520-A523 PolarHBondContact O-N 2.9Å; A523-F526 PolarHBondContact O-N 2.99Å; A523-S527 WeakPolarHBondContact O-CB 3.22Å; A523-S527 PolarHBondContact O-N 3.42Å |
| 524 | E | 92.5 | Very high | 91.7 | Very high | 111 Ų | 111 | 99.2 Ų | 99.2 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 173.2 | -75 | -178.4 | 169.8 | 0 | 0 | 111.5 | E520 F526 S527 V528 | E520-E524 WeakPolarHBondContact O-CG 3.41Å; E520-E524 PolarHBondContact O-N 3.37Å; E524-F526 VanDerWaalsContact C-N 3.35Å; E524-F526 PolarHBondContact O-N 3.48Å; E524-S527 WeakPolarHBondContact O-CB 3.35Å; E524-S527 PolarHBondContact O-N 3.38Å; E524-V528 WeakPolarHBondContact O-CG2 3.46Å; E524-V528 PolarHBondContact O-N 3.31Å |
| 525 | K | 90.5 | Very high | 91.6 | Very high | 130 Ų | 130 | 97.8 Ų | 97.8 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.2 | -47.7 | 175.1 | 179.6 | -176.1 | 167.2 | -174.1 | 0 | 111.2 | Q521 E522 S527 V528 E529 | Q521-K525 VanDerWaalsContact O-CB 3.28Å; Q521-K525 WeakPolarHBondContact O-CB 3.42Å; Q521-K525 PolarHBondContact O-N 2.91Å; E522-K525 PolarHBondContact O-N 3.43Å; K525-S527 VanDerWaalsContact C-N 3.32Å; K525-S527 PolarHBondContact O-N 3.35Å; K525-V528 PolarHBondContact O-N 2.91Å; K525-E529 WeakPolarHBondContact CE-OE1 3.28Å; K525-E529 HydrophobicContact CG-CG 4.45Å; K525-E529 IonicContact NZ-OE1 3.7Å; K525-E529 WeakPolarHBondContact O-CB 3.48Å; K525-E529 WeakPolarHBondContact O-CG 3.17Å; K525-E529 PolarHBondContact O-N 2.87Å |
| 526 | F | 91.7 | Very high | 91.5 | Very high | 152 Ų | 152 | 95 Ų | 95 | 67% | 0.667 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -40.1 | 177.8 | -172.7 | -95.3 | 0 | 0 | 0 | 112.1 | E522 A523 E524 A530 | E522-F526 WeakPolarHBondContact O-CB 3.42Å; E522-F526 PolarHBondContact O-N 3.24Å; A523-F526 PolarHBondContact O-N 2.99Å; E524-F526 VanDerWaalsContact C-N 3.35Å; E524-F526 PolarHBondContact O-N 3.48Å; F526-A530 WeakPolarHBondContact O-CB 3.48Å; F526-A530 PolarHBondContact O-N 2.89Å |
| 527 | S | 92.7 | Very high | 91.4 | Very high | 56 Ų | 56 | 98.3 Ų | 98.3 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 174.6 | 179.1 | 0 | 0 | 0 | 0 | 112 | A523 E524 K525 A530 Q531 | A523-S527 WeakPolarHBondContact O-CB 3.22Å; A523-S527 PolarHBondContact O-N 3.42Å; E524-S527 WeakPolarHBondContact O-CB 3.35Å; E524-S527 PolarHBondContact O-N 3.38Å; K525-S527 VanDerWaalsContact C-N 3.32Å; K525-S527 PolarHBondContact O-N 3.35Å; S527-A530 PolarHBondContact O-N 3.46Å; S527-Q531 VanDerWaalsContact O-CG 3.28Å; S527-Q531 WeakPolarHBondContact O-CG 3.4Å; S527-Q531 PolarHBondContact O-N 2.97Å; S527-Q531 PolarHBondContact OG-NE2 3.26Å |
| 528 | V | 88.5 | Confident | 91.2 | Very high | 87 Ų | 87 | 97.2 Ų | 97.2 | 53% | 0.527 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 178.6 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | E524 K525 A530 Q531 L532 | E524-V528 WeakPolarHBondContact O-CG2 3.46Å; E524-V528 PolarHBondContact O-N 3.31Å; K525-V528 PolarHBondContact O-N 2.91Å; V528-A530 PolarHBondContact O-N 3.14Å; V528-Q531 PolarHBondContact O-N 3.38Å; V528-L532 WeakPolarHBondContact O-CB 3.49Å; V528-L532 PolarHBondContact O-N 3.42Å |
| 529 | E | 92.4 | Very high | 91.2 | Very high | 101 Ų | 101 | 98 Ų | 98 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 174.7 | -75.7 | 175.9 | 173.4 | 0 | 0 | 111.9 | K525 L532 S533 | K525-E529 WeakPolarHBondContact CE-OE1 3.28Å; K525-E529 HydrophobicContact CG-CG 4.45Å; K525-E529 IonicContact NZ-OE1 3.7Å; K525-E529 WeakPolarHBondContact O-CB 3.48Å; K525-E529 WeakPolarHBondContact O-CG 3.17Å; K525-E529 PolarHBondContact O-N 2.87Å; E529-L532 PolarHBondContact O-N 3.02Å; E529-S533 WeakPolarHBondContact O-CB 3.33Å; E529-S533 PolarHBondContact O-N 3.43Å |
| 530 | A | 89.5 | Confident | 91.2 | Very high | 54 Ų | 54 | 96.7 Ų | 96.7 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F526 S527 V528 S533 C534 | F526-A530 WeakPolarHBondContact O-CB 3.48Å; F526-A530 PolarHBondContact O-N 2.89Å; S527-A530 PolarHBondContact O-N 3.46Å; V528-A530 PolarHBondContact O-N 3.14Å; A530-S533 PolarHBondContact O-N 2.9Å; A530-C534 PolarHBondContact O-N 2.98Å |
| 531 | Q | 91.8 | Very high | 91.1 | Very high | 125 Ų | 125 | 95.5 Ų | 95.5 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.3 | -42.7 | 174.3 | -72.5 | 172.4 | 15.9 | 0 | 0 | 111.5 | S527 V528 C534 A535 | S527-Q531 VanDerWaalsContact O-CG 3.28Å; S527-Q531 WeakPolarHBondContact O-CG 3.4Å; S527-Q531 PolarHBondContact O-N 2.97Å; S527-Q531 PolarHBondContact OG-NE2 3.26Å; V528-Q531 PolarHBondContact O-N 3.38Å; Q531-C534 PolarHBondContact O-N 3.3Å; Q531-A535 WeakPolarHBondContact O-CB 3.31Å; Q531-A535 PolarHBondContact O-N 2.8Å |
| 532 | L | 88.5 | Confident | 91.1 | Very high | 113 Ų | 113 | 92 Ų | 92 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 175.5 | -174.6 | 69.7 | 0 | 0 | 0 | 111.1 | V528 E529 C534 A535 V536 | V528-L532 WeakPolarHBondContact O-CB 3.49Å; V528-L532 PolarHBondContact O-N 3.42Å; E529-L532 PolarHBondContact O-N 3.02Å; L532-C534 VanDerWaalsContact C-N 3.35Å; L532-C534 PolarHBondContact O-N 2.8Å; L532-A535 PolarHBondContact O-N 3.28Å; L532-V536 HydrophobicContact CG-CG2 4.47Å; L532-V536 WeakPolarHBondContact O-CB 3.37Å; L532-V536 WeakPolarHBondContact O-CG2 3.42Å; L532-V536 PolarHBondContact O-N 3.41Å |
| 533 | S | 91.4 | Very high | 91.1 | Very high | 81 Ų | 81 | 90.1 Ų | 90.1 | 57% | 0.566 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.8 | -41.6 | 176.1 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | E529 A530 R537 | E529-S533 WeakPolarHBondContact O-CB 3.33Å; E529-S533 PolarHBondContact O-N 3.43Å; A530-S533 PolarHBondContact O-N 2.9Å; S533-R537 PolarHBondContact O-N 2.71Å |
| 534 | C | 93 | Very high | 91.2 | Very high | 49 Ų | 49 | 92.4 Ų | 92.4 | 33% | 0.331 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 175.7 | -162.9 | 0 | 0 | 0 | 0 | 111.8 | A530 Q531 L532 V536 R537 E538 | A530-C534 PolarHBondContact O-N 2.98Å; Q531-C534 PolarHBondContact O-N 3.3Å; L532-C534 VanDerWaalsContact C-N 3.35Å; L532-C534 PolarHBondContact O-N 2.8Å; C534-V536 PolarHBondContact O-N 2.92Å; C534-R537 WeakPolarHBondContact O-CB 3.13Å; C534-R537 PolarHBondContact O-N 3.29Å; C534-R537 PolarHBondContact SG-NH2 2.98Å; C534-R537 VanDerWaalsContact SG-NH2 3.4Å; C534-E538 WeakPolarHBondContact O-CG 3.4Å; C534-E538 PolarHBondContact O-N 2.99Å; C534-E538 PolarHBondContact SG-OE1 3.1Å; C534-E538 VanDerWaalsContact SG-OE1 3.41Å |
| 535 | A | 88 | Confident | 91.1 | Very high | 51 Ų | 51 | 92.8 Ų | 92.8 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q531 L532 E538 H539 | Q531-A535 WeakPolarHBondContact O-CB 3.31Å; Q531-A535 PolarHBondContact O-N 2.8Å; L532-A535 PolarHBondContact O-N 3.28Å; A535-E538 PolarHBondContact O-N 3.47Å; A535-H539 WeakPolarHBondContact O-CB 3.34Å; A535-H539 PolarHBondContact O-N 3.02Å |
| 536 | V | 93.1 | Very high | 91 | Very high | 71 Ų | 71 | 90 Ų | 90 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 174.7 | 167.8 | 0 | 0 | 0 | 0 | 111 | L532 C534 H539 N540 | L532-V536 HydrophobicContact CG-CG2 4.47Å; L532-V536 WeakPolarHBondContact O-CB 3.37Å; L532-V536 WeakPolarHBondContact O-CG2 3.42Å; L532-V536 PolarHBondContact O-N 3.41Å; C534-V536 PolarHBondContact O-N 2.92Å; V536-H539 PolarHBondContact O-N 3.47Å; V536-N540 WeakPolarHBondContact O-CB 3.26Å; V536-N540 PolarHBondContact O-N 2.92Å; V536-N540 PolarHBondContact O-ND2 3.4Å |
| 537 | R | 91.1 | Very high | 91 | Very high | 124 Ų | 124 | 88.3 Ų | 88.3 | 47% | 0.468 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 176.1 | -176.5 | -176.4 | 58.6 | 71.1 | 8.4 | 111.4 | S533 C534 N540 M541 | S533-R537 PolarHBondContact O-N 2.71Å; C534-R537 WeakPolarHBondContact O-CB 3.13Å; C534-R537 PolarHBondContact O-N 3.29Å; C534-R537 PolarHBondContact SG-NH2 2.98Å; C534-R537 VanDerWaalsContact SG-NH2 3.4Å; R537-N540 PolarHBondContact O-N 3.37Å; R537-M541 HydrophobicContact CG-SD 4.45Å; R537-M541 PolarHBondContact NH1-SD 3.18Å; R537-M541 VanDerWaalsContact NH1-SD 3.42Å; R537-M541 WeakPolarHBondContact O-CG 3.47Å; R537-M541 PolarHBondContact O-N 2.9Å |
| 538 | E | 90.2 | Very high | 91.1 | Very high | 109 Ų | 109 | 92.1 Ų | 92.1 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 177.5 | -73.8 | 169.8 | -167 | 0 | 0 | 112 | C534 A535 N540 M541 A542 | C534-E538 WeakPolarHBondContact O-CG 3.4Å; C534-E538 PolarHBondContact O-N 2.99Å; C534-E538 PolarHBondContact SG-OE1 3.1Å; C534-E538 VanDerWaalsContact SG-OE1 3.41Å; A535-E538 PolarHBondContact O-N 3.47Å; E538-N540 VanDerWaalsContact C-N 3.35Å; E538-N540 PolarHBondContact O-N 3.34Å; E538-M541 PolarHBondContact O-N 3.43Å; E538-A542 WeakPolarHBondContact O-CB 3.35Å; E538-A542 PolarHBondContact O-N 3.49Å |
| 539 | H | 91.2 | Very high | 91.1 | Very high | 113 Ų | 113 | 93.5 Ų | 93.5 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 173.5 | 178.8 | -92.3 | 0 | 0 | 0 | 111.9 | A535 V536 M541 A542 L543 | A535-H539 WeakPolarHBondContact O-CB 3.34Å; A535-H539 PolarHBondContact O-N 3.02Å; V536-H539 PolarHBondContact O-N 3.47Å; H539-M541 PolarHBondContact O-N 3.31Å; H539-A542 PolarHBondContact O-N 2.8Å; H539-L543 WeakPolarHBondContact CE1-CD1 3.42Å; H539-L543 WeakPolarHBondContact O-CG 3.36Å; H539-L543 PolarHBondContact O-N 3.44Å |
| 540 | N | 93.2 | Very high | 91.2 | Very high | 80 Ų | 80 | 97.5 Ų | 97.5 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 177.2 | -70.7 | -19.4 | 0 | 0 | 0 | 112.3 | V536 R537 E538 L543 Q544 | V536-N540 WeakPolarHBondContact O-CB 3.26Å; V536-N540 PolarHBondContact O-N 2.92Å; V536-N540 PolarHBondContact O-ND2 3.4Å; R537-N540 PolarHBondContact O-N 3.37Å; E538-N540 VanDerWaalsContact C-N 3.35Å; E538-N540 PolarHBondContact O-N 3.34Å; N540-L543 PolarHBondContact O-N 2.9Å; N540-Q544 WeakPolarHBondContact O-CG 3.46Å; N540-Q544 PolarHBondContact O-N 3.31Å |
| 541 | M | 91.6 | Very high | 91.3 | Very high | 92 Ų | 92 | 99.3 Ų | 99.3 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 173.4 | -71.5 | 178.8 | 65.3 | 0 | 0 | 111.5 | R537 E538 H539 L543 Q544 E545 | R537-M541 HydrophobicContact CG-SD 4.45Å; R537-M541 PolarHBondContact NH1-SD 3.18Å; R537-M541 VanDerWaalsContact NH1-SD 3.42Å; R537-M541 WeakPolarHBondContact O-CG 3.47Å; R537-M541 PolarHBondContact O-N 2.9Å; E538-M541 PolarHBondContact O-N 3.43Å; H539-M541 PolarHBondContact O-N 3.31Å; M541-L543 VanDerWaalsContact C-N 3.34Å; M541-L543 PolarHBondContact O-N 3.11Å; M541-Q544 PolarHBondContact O-N 3.46Å; M541-E545 PolarHBondContact O-N 2.95Å |
| 542 | A | 89.8 | Confident | 91.4 | Very high | 54 Ų | 54 | 95.8 Ų | 95.8 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E538 H539 E545 S546 | E538-A542 WeakPolarHBondContact O-CB 3.35Å; E538-A542 PolarHBondContact O-N 3.49Å; H539-A542 PolarHBondContact O-N 2.8Å; A542-E545 PolarHBondContact O-N 2.97Å; A542-S546 VanDerWaalsContact O-CB 3.32Å; A542-S546 WeakPolarHBondContact O-CB 3.5Å; A542-S546 PolarHBondContact O-N 3.26Å |
| 543 | L | 91.5 | Very high | 91.5 | Very high | 78 Ų | 78 | 95.6 Ų | 95.6 | 41% | 0.408 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 172.7 | -77.7 | -179.3 | 0 | 0 | 0 | 111.8 | H539 N540 M541 E545 S546 E547 | H539-L543 WeakPolarHBondContact CE1-CD1 3.42Å; H539-L543 WeakPolarHBondContact O-CG 3.36Å; H539-L543 PolarHBondContact O-N 3.44Å; N540-L543 PolarHBondContact O-N 2.9Å; M541-L543 VanDerWaalsContact C-N 3.34Å; M541-L543 PolarHBondContact O-N 3.11Å; L543-E545 VanDerWaalsContact C-N 3.32Å; L543-E545 PolarHBondContact O-N 3.25Å; L543-S546 WeakPolarHBondContact O-CB 3.22Å; L543-S546 PolarHBondContact O-N 3.48Å; L543-E547 WeakPolarHBondContact O-CB 3.4Å; L543-E547 WeakPolarHBondContact O-CG 3.34Å; L543-E547 PolarHBondContact O-N 3.05Å |
| 544 | Q | 92.8 | Very high | 91.6 | Very high | 110 Ų | 110 | 97.1 Ų | 97.1 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 176.4 | -73.4 | 179.5 | -0.7 | 0 | 0 | 112.4 | N540 M541 K548 | N540-Q544 WeakPolarHBondContact O-CG 3.46Å; N540-Q544 PolarHBondContact O-N 3.31Å; M541-Q544 PolarHBondContact O-N 3.46Å; Q544-K548 WeakPolarHBondContact O-CG 3.45Å; Q544-K548 PolarHBondContact O-N 3.41Å |
| 545 | E | 91.4 | Very high | 91.6 | Very high | 118 Ų | 118 | 99.2 Ų | 99.2 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.2 | -42.7 | 173.4 | -75.2 | -178.8 | 176.2 | 0 | 0 | 111.9 | M541 A542 L543 E547 K548 L549 | M541-E545 PolarHBondContact O-N 2.95Å; A542-E545 PolarHBondContact O-N 2.97Å; L543-E545 VanDerWaalsContact C-N 3.32Å; L543-E545 PolarHBondContact O-N 3.25Å; E545-E547 VanDerWaalsContact C-N 3.34Å; E545-E547 PolarHBondContact O-N 3.47Å; E545-K548 PolarHBondContact O-N 3.43Å; E545-L549 WeakPolarHBondContact O-CG 3.22Å; E545-L549 PolarHBondContact O-N 3.06Å |
| 546 | S | 87.2 | Confident | 91.7 | Very high | 72 Ų | 72 | 98.9 Ų | 98.9 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 174.1 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | A542 L543 L549 R550 | A542-S546 VanDerWaalsContact O-CB 3.32Å; A542-S546 WeakPolarHBondContact O-CB 3.5Å; A542-S546 PolarHBondContact O-N 3.26Å; L543-S546 WeakPolarHBondContact O-CB 3.22Å; L543-S546 PolarHBondContact O-N 3.48Å; S546-L549 PolarHBondContact O-N 2.95Å; S546-R550 WeakPolarHBondContact O-CB 3.49Å; S546-R550 PolarHBondContact O-N 3.28Å |
| 547 | E | 92.2 | Very high | 91.6 | Very high | 117 Ų | 117 | 99.6 Ų | 99.6 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 174.2 | -76.4 | 178.2 | 175 | 0 | 0 | 112.2 | L543 E545 R550 N551 | L543-E547 WeakPolarHBondContact O-CB 3.4Å; L543-E547 WeakPolarHBondContact O-CG 3.34Å; L543-E547 PolarHBondContact O-N 3.05Å; E545-E547 VanDerWaalsContact C-N 3.34Å; E545-E547 PolarHBondContact O-N 3.47Å; E547-R550 PolarHBondContact O-N 3.47Å; E547-N551 WeakPolarHBondContact O-CB 3.28Å; E547-N551 PolarHBondContact O-N 3.23Å; E547-N551 PolarHBondContact O-ND2 2.86Å |
| 548 | K | 94.2 | Very high | 91.8 | Very high | 136 Ų | 136 | 97.7 Ų | 97.7 | 59% | 0.591 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 174.7 | -73.5 | 167.5 | -172.4 | 172.4 | 0 | 111.7 | Q544 E545 N551 A552 | Q544-K548 WeakPolarHBondContact O-CG 3.45Å; Q544-K548 PolarHBondContact O-N 3.41Å; E545-K548 PolarHBondContact O-N 3.43Å; K548-N551 PolarHBondContact O-N 2.85Å; K548-A552 WeakPolarHBondContact O-CB 3.38Å; K548-A552 PolarHBondContact O-N 3.29Å |
| 549 | L | 90.2 | Very high | 91.9 | Very high | 116 Ų | 116 | 96.9 Ų | 96.9 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.3 | -39.5 | 176.5 | -71.1 | 174.5 | 0 | 0 | 0 | 111.6 | E545 S546 A552 L553 | E545-L549 WeakPolarHBondContact O-CG 3.22Å; E545-L549 PolarHBondContact O-N 3.06Å; S546-L549 PolarHBondContact O-N 2.95Å; L549-A552 PolarHBondContact O-N 3.24Å; L549-L553 WeakPolarHBondContact O-CB 3.48Å; L549-L553 WeakPolarHBondContact O-CG 3.32Å; L549-L553 PolarHBondContact O-N 3.3Å |
| 550 | R | 92.7 | Very high | 92 | Very high | 184 Ų | 184 | 96.4 Ų | 96.4 | 69% | 0.694 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.5 | -43.2 | 175 | -173 | -178.3 | 177 | 88.9 | 3.3 | 111.8 | S546 E547 L553 Q554 | S546-R550 WeakPolarHBondContact O-CB 3.49Å; S546-R550 PolarHBondContact O-N 3.28Å; E547-R550 PolarHBondContact O-N 3.47Å; R550-L553 PolarHBondContact O-N 3.5Å; R550-Q554 WeakPolarHBondContact O-CB 3.45Å; R550-Q554 PolarHBondContact O-N 3.36Å |
| 551 | N | 92.4 | Very high | 91.9 | Very high | 92 Ų | 92 | 98.5 Ų | 98.5 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 176.3 | -67.9 | -21 | 0 | 0 | 0 | 111.4 | E547 K548 Q554 T555 | E547-N551 WeakPolarHBondContact O-CB 3.28Å; E547-N551 PolarHBondContact O-N 3.23Å; E547-N551 PolarHBondContact O-ND2 2.86Å; K548-N551 PolarHBondContact O-N 2.85Å; N551-Q554 PolarHBondContact O-N 3.36Å; N551-T555 WeakPolarHBondContact O-CG2 3.49Å; N551-T555 PolarHBondContact O-N 2.94Å; N551-T555 PolarHBondContact O-OG1 3.46Å |
| 552 | A | 93.7 | Very high | 92.1 | Very high | 52 Ų | 52 | 99 Ų | 99 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | K548 L549 T555 A556 | K548-A552 WeakPolarHBondContact O-CB 3.38Å; K548-A552 PolarHBondContact O-N 3.29Å; L549-A552 PolarHBondContact O-N 3.24Å; A552-T555 WeakPolarHBondContact CA-OG1 3.48Å; A552-T555 PolarHBondContact O-N 2.98Å; A552-T555 PolarHBondContact O-OG1 3.27Å; A552-A556 PolarHBondContact O-N 3.45Å |
| 553 | L | 89.9 | Confident | 92.2 | Very high | 109 Ų | 109 | 99.1 Ų | 99.1 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.9 | -46.4 | 173.3 | -78.5 | 168.8 | 0 | 0 | 0 | 111.2 | L549 R550 T555 A556 D557 | L549-L553 WeakPolarHBondContact O-CB 3.48Å; L549-L553 WeakPolarHBondContact O-CG 3.32Å; L549-L553 PolarHBondContact O-N 3.3Å; R550-L553 PolarHBondContact O-N 3.5Å; L553-T555 VanDerWaalsContact C-N 3.31Å; L553-T555 PolarHBondContact O-N 2.82Å; L553-A556 PolarHBondContact O-N 3.2Å; L553-A556 VanDerWaalsContact O-N 3.09Å; L553-D557 PolarHBondContact O-N 2.95Å |
| 554 | Q | 94.8 | Very high | 92.3 | Very high | 112 Ų | 112 | 98.4 Ų | 98.4 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 176.7 | -172.9 | 177 | 16.1 | 0 | 0 | 112.4 | R550 N551 D557 N558 | R550-Q554 WeakPolarHBondContact O-CB 3.45Å; R550-Q554 PolarHBondContact O-N 3.36Å; N551-Q554 PolarHBondContact O-N 3.36Å; Q554-D557 PolarHBondContact O-N 3.1Å; Q554-N558 WeakPolarHBondContact O-CB 3.33Å; Q554-N558 PolarHBondContact O-N 2.87Å; Q554-N558 PolarHBondContact O-ND2 2.83Å |
| 555 | T | 92.7 | Very high | 92.4 | Very high | 93 Ų | 93 | 96.7 Ų | 96.7 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.1 | -35.9 | 175.2 | 56 | 0 | 0 | 0 | 0 | 112.8 | N551 A552 L553 E559 | N551-T555 WeakPolarHBondContact O-CG2 3.49Å; N551-T555 PolarHBondContact O-N 2.94Å; N551-T555 PolarHBondContact O-OG1 3.46Å; A552-T555 WeakPolarHBondContact CA-OG1 3.48Å; A552-T555 PolarHBondContact O-N 2.98Å; A552-T555 PolarHBondContact O-OG1 3.27Å; L553-T555 VanDerWaalsContact C-N 3.31Å; L553-T555 PolarHBondContact O-N 2.82Å; T555-E559 WeakPolarHBondContact O-CB 3.42Å; T555-E559 PolarHBondContact O-N 3.43Å; T555-E559 VanDerWaalsContact O-N 3.11Å |
| 556 | A | 89.1 | Confident | 92.5 | Very high | 45 Ų | 45 | 94.6 Ų | 94.6 | 37% | 0.372 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.3 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A552 L553 E559 I560 | A552-A556 PolarHBondContact O-N 3.45Å; L553-A556 PolarHBondContact O-N 3.2Å; L553-A556 VanDerWaalsContact O-N 3.09Å; A556-E559 PolarHBondContact O-N 3.2Å; A556-I560 VanDerWaalsContact O-CG1 3.28Å; A556-I560 WeakPolarHBondContact O-CG1 3.04Å; A556-I560 PolarHBondContact O-N 3.01Å |
| 557 | D | 92.7 | Very high | 92.6 | Very high | 85 Ų | 85 | 97.3 Ų | 97.3 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 175.7 | -70.4 | -28.8 | 0 | 0 | 0 | 111.1 | L553 Q554 E559 I560 E561 | L553-D557 PolarHBondContact O-N 2.95Å; Q554-D557 PolarHBondContact O-N 3.1Å; D557-E559 VanDerWaalsContact C-N 3.29Å; D557-E559 PolarHBondContact O-N 2.83Å; D557-I560 PolarHBondContact O-N 2.9Å; D557-E561 WeakPolarHBondContact O-CG 3.19Å; D557-E561 PolarHBondContact O-N 2.97Å |
| 558 | N | 93.5 | Very high | 92.6 | Very high | 85 Ų | 85 | 96.2 Ų | 96.2 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 174.9 | -68.4 | -23.5 | 0 | 0 | 0 | 112.4 | Q554 E561 R562 | Q554-N558 WeakPolarHBondContact O-CB 3.33Å; Q554-N558 PolarHBondContact O-N 2.87Å; Q554-N558 PolarHBondContact O-ND2 2.83Å; N558-E561 PolarHBondContact O-N 2.92Å; N558-R562 WeakPolarHBondContact O-CB 3.49Å; N558-R562 PolarHBondContact O-N 2.99Å |
| 559 | E | 93.1 | Very high | 92.6 | Very high | 92 Ų | 92 | 98.3 Ų | 98.3 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71 | -38 | 177.9 | -178.1 | 63.3 | -175 | 0 | 0 | 111.8 | T555 A556 D557 R562 V563 | T555-E559 WeakPolarHBondContact O-CB 3.42Å; T555-E559 PolarHBondContact O-N 3.43Å; T555-E559 VanDerWaalsContact O-N 3.11Å; A556-E559 PolarHBondContact O-N 3.2Å; D557-E559 VanDerWaalsContact C-N 3.29Å; D557-E559 PolarHBondContact O-N 2.83Å; E559-R562 PolarHBondContact O-N 3.46Å; E559-R562 IonicContact OE1-CZ 2.82Å; E559-R562 IonicContact OE1-NE 3.08Å; E559-R562 PolarHBondContact OE1-NE 2.63Å; E559-R562 IonicContact OE1-NH2 2.89Å; E559-R562 PolarHBondContact OE1-NH2 2.93Å; E559-R562 IonicContact OE2-CZ 2.74Å; E559-R562 IonicContact OE2-NE 3.4Å; E559-R562 PolarHBondContact OE2-NE 3.27Å; E559-R562 IonicContact OE2-NH2 3.75Å; E559-V563 WeakPolarHBondContact O-CG2 3.48Å; E559-V563 PolarHBondContact O-N 3.42Å |
| 560 | I | 92.3 | Very high | 92.6 | Very high | 102 Ų | 102 | 99.9 Ų | 99.9 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 172.4 | -70.1 | 165.9 | 0 | 0 | 0 | 110.2 | A556 D557 R562 V563 T564 | A556-I560 VanDerWaalsContact O-CG1 3.28Å; A556-I560 WeakPolarHBondContact O-CG1 3.04Å; A556-I560 PolarHBondContact O-N 3.01Å; D557-I560 PolarHBondContact O-N 2.9Å; I560-R562 VanDerWaalsContact C-N 3.35Å; I560-R562 PolarHBondContact O-N 2.83Å; I560-V563 PolarHBondContact O-N 2.94Å; I560-T564 VanDerWaalsContact O-CB 3.3Å; I560-T564 WeakPolarHBondContact O-CB 3.44Å; I560-T564 PolarHBondContact O-N 2.83Å; I560-T564 PolarHBondContact O-OG1 3.47Å |
| 561 | E | 92.9 | Very high | 92.5 | Very high | 125 Ų | 125 | 97.5 Ų | 97.5 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.3 | -41.9 | 175.9 | -73.8 | -179.5 | -177.7 | 0 | 0 | 111.9 | D557 N558 T564 C565 | D557-E561 WeakPolarHBondContact O-CG 3.19Å; D557-E561 PolarHBondContact O-N 2.97Å; N558-E561 PolarHBondContact O-N 2.92Å; E561-T564 PolarHBondContact O-N 2.89Å; E561-C565 WeakPolarHBondContact O-CB 3.44Å; E561-C565 PolarHBondContact O-N 3.37Å; E561-C565 PolarHBondContact O-SG 3.24Å; E561-C565 VanDerWaalsContact O-SG 3.33Å |
| 562 | R | 95 | Very high | 92.5 | Very high | 102 Ų | 102 | 99 Ų | 99 | 39% | 0.385 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.5 | -50.7 | 175.8 | -171.4 | -167.6 | 68 | 69 | 6.7 | 111.8 | N558 E559 I560 T564 C565 E566 | N558-R562 WeakPolarHBondContact O-CB 3.49Å; N558-R562 PolarHBondContact O-N 2.99Å; E559-R562 PolarHBondContact O-N 3.46Å; E559-R562 IonicContact OE1-CZ 2.82Å; E559-R562 IonicContact OE1-NE 3.08Å; E559-R562 PolarHBondContact OE1-NE 2.63Å; E559-R562 IonicContact OE1-NH2 2.89Å; E559-R562 PolarHBondContact OE1-NH2 2.93Å; E559-R562 IonicContact OE2-CZ 2.74Å; E559-R562 IonicContact OE2-NE 3.4Å; E559-R562 PolarHBondContact OE2-NE 3.27Å; E559-R562 IonicContact OE2-NH2 3.75Å; I560-R562 VanDerWaalsContact C-N 3.35Å; I560-R562 PolarHBondContact O-N 2.83Å; R562-T564 VanDerWaalsContact C-N 3.32Å; R562-T564 PolarHBondContact O-N 2.77Å; R562-C565 WeakPolarHBondContact O-CB 3.3Å; R562-C565 PolarHBondContact O-N 2.98Å; R562-E566 IonicContact CZ-OE1 3.91Å; R562-E566 IonicContact CZ-OE2 3.7Å; R562-E566 IonicContact NH1-OE1 3.77Å; R562-E566 PolarHBondContact NH1-OE1 3.26Å; R562-E566 IonicContact NH1-OE2 3.1Å; R562-E566 PolarHBondContact NH1-OE2 3.18Å; R562-E566 WeakPolarHBondContact O-CG 3.44Å; R562-E566 PolarHBondContact O-N 2.84Å |
| 563 | V | 92.6 | Very high | 92.4 | Very high | 56 Ų | 56 | 101.1 Ų | 101.1 | 34% | 0.339 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 178.7 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | E559 I560 E566 M567 | E559-V563 WeakPolarHBondContact O-CG2 3.48Å; E559-V563 PolarHBondContact O-N 3.42Å; I560-V563 PolarHBondContact O-N 2.94Å; V563-E566 PolarHBondContact O-N 3.35Å; V563-M567 HydrophobicContact CG1-CG 4.43Å; V563-M567 HydrophobicContact CG1-SD 4.4Å; V563-M567 WeakPolarHBondContact O-CG 3.43Å; V563-M567 PolarHBondContact O-N 2.86Å |
| 564 | T | 93.9 | Very high | 92.3 | Very high | 63 Ų | 63 | 99.9 Ų | 99.9 | 39% | 0.387 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 176 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | I560 E561 R562 E566 M567 E568 | I560-T564 VanDerWaalsContact O-CB 3.3Å; I560-T564 WeakPolarHBondContact O-CB 3.44Å; I560-T564 PolarHBondContact O-N 2.83Å; I560-T564 PolarHBondContact O-OG1 3.47Å; E561-T564 PolarHBondContact O-N 2.89Å; R562-T564 VanDerWaalsContact C-N 3.32Å; R562-T564 PolarHBondContact O-N 2.77Å; T564-E566 VanDerWaalsContact C-N 3.33Å; T564-E566 PolarHBondContact O-N 3.03Å; T564-M567 PolarHBondContact O-N 2.91Å; T564-E568 WeakPolarHBondContact O-CG 3.49Å; T564-E568 PolarHBondContact O-N 2.86Å |
| 565 | C | 93.4 | Very high | 92.1 | Very high | 74 Ų | 74 | 98.7 Ų | 98.7 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 174.9 | -77.1 | 0 | 0 | 0 | 0 | 112.7 | E561 R562 R569 | E561-C565 WeakPolarHBondContact O-CB 3.44Å; E561-C565 PolarHBondContact O-N 3.37Å; E561-C565 PolarHBondContact O-SG 3.24Å; E561-C565 VanDerWaalsContact O-SG 3.33Å; R562-C565 WeakPolarHBondContact O-CB 3.3Å; R562-C565 PolarHBondContact O-N 2.98Å; C565-R569 PolarHBondContact O-N 3.34Å |
| 566 | E | 94.1 | Very high | 92 | Very high | 75 Ų | 75 | 100 Ų | 100 | 35% | 0.35 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.1 | -44.1 | 175.3 | -75.5 | 176.8 | 176.4 | 0 | 0 | 112.1 | R562 V563 T564 E568 R569 Y570 | R562-E566 IonicContact CZ-OE1 3.91Å; R562-E566 IonicContact CZ-OE2 3.7Å; R562-E566 IonicContact NH1-OE1 3.77Å; R562-E566 PolarHBondContact NH1-OE1 3.26Å; R562-E566 IonicContact NH1-OE2 3.1Å; R562-E566 PolarHBondContact NH1-OE2 3.18Å; R562-E566 WeakPolarHBondContact O-CG 3.44Å; R562-E566 PolarHBondContact O-N 2.84Å; V563-E566 PolarHBondContact O-N 3.35Å; T564-E566 VanDerWaalsContact C-N 3.33Å; T564-E566 PolarHBondContact O-N 3.03Å; E566-E568 VanDerWaalsContact C-N 3.32Å; E566-E568 PolarHBondContact O-N 2.67Å; E566-R569 WeakPolarHBondContact O-CB 3.28Å; E566-R569 PolarHBondContact O-N 2.84Å; E566-R569 VanDerWaalsContact O-N 3.16Å; E566-Y570 HydrophobicContact CB-CE2 4.37Å; E566-Y570 WeakPolarHBondContact O-CD2 3.34Å; E566-Y570 PolarHBondContact O-N 2.89Å |
| 567 | M | 88.7 | Confident | 91.9 | Very high | 129 Ų | 129 | 102.7 Ų | 102.7 | 64% | 0.635 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.5 | -43.6 | 174 | -76.3 | -173.5 | 60.3 | 0 | 0 | 111.7 | V563 T564 R569 Y570 Q571 | V563-M567 HydrophobicContact CG1-CG 4.43Å; V563-M567 HydrophobicContact CG1-SD 4.4Å; V563-M567 WeakPolarHBondContact O-CG 3.43Å; V563-M567 PolarHBondContact O-N 2.86Å; T564-M567 PolarHBondContact O-N 2.91Å; M567-R569 PolarHBondContact O-N 3.39Å; M567-Y570 PolarHBondContact O-N 2.84Å; M567-Q571 VanDerWaalsContact O-CB 3.32Å; M567-Q571 WeakPolarHBondContact O-CB 3.47Å; M567-Q571 PolarHBondContact O-N 3.32Å |
| 568 | E | 93.7 | Very high | 91.8 | Very high | 94 Ų | 94 | 101 Ų | 101 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 175 | -74.3 | -176.4 | -172.4 | 0 | 0 | 112.7 | T564 E566 Q571 K572 | T564-E568 WeakPolarHBondContact O-CG 3.49Å; T564-E568 PolarHBondContact O-N 2.86Å; E566-E568 VanDerWaalsContact C-N 3.32Å; E566-E568 PolarHBondContact O-N 2.67Å; E568-Q571 PolarHBondContact O-N 2.82Å; E568-K572 WeakPolarHBondContact O-CB 3.38Å; E568-K572 WeakPolarHBondContact O-CG 3.42Å; E568-K572 PolarHBondContact O-N 2.92Å |
| 569 | R | 92.5 | Very high | 91.7 | Very high | 180 Ų | 180 | 99.7 Ų | 99.7 | 68% | 0.679 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -47.9 | 173.9 | -84.6 | -177 | 176.1 | 166.7 | 0.5 | 111.6 | C565 E566 M567 Q571 K572 Q573 | C565-R569 PolarHBondContact O-N 3.34Å; E566-R569 WeakPolarHBondContact O-CB 3.28Å; E566-R569 PolarHBondContact O-N 2.84Å; E566-R569 VanDerWaalsContact O-N 3.16Å; M567-R569 PolarHBondContact O-N 3.39Å; R569-Q571 VanDerWaalsContact C-N 3.28Å; R569-Q571 PolarHBondContact O-N 3.43Å; R569-K572 PolarHBondContact O-N 3.05Å; R569-Q573 WeakPolarHBondContact O-CG 3.39Å; R569-Q573 PolarHBondContact O-N 2.87Å |
| 570 | Y | 90.7 | Very high | 91.6 | Very high | 149 Ų | 149 | 98.7 Ų | 98.7 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.1 | -36.6 | 176.9 | -72.8 | -56.4 | 0 | 0 | 0 | 111.8 | E566 M567 Q573 C574 | E566-Y570 HydrophobicContact CB-CE2 4.37Å; E566-Y570 WeakPolarHBondContact O-CD2 3.34Å; E566-Y570 PolarHBondContact O-N 2.89Å; M567-Y570 PolarHBondContact O-N 2.84Å; Y570-Q573 PolarHBondContact O-N 3.35Å; Y570-C574 WeakPolarHBondContact O-CB 3.33Å; Y570-C574 PolarHBondContact O-N 2.86Å; Y570-C574 PolarHBondContact O-SG 3.3Å |
| 571 | Q | 91.4 | Very high | 91.4 | Very high | 134 Ų | 134 | 102.4 Ų | 102.4 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 174.2 | -173.1 | 174.2 | -0.8 | 0 | 0 | 111.7 | M567 E568 R569 C574 T575 | M567-Q571 VanDerWaalsContact O-CB 3.32Å; M567-Q571 WeakPolarHBondContact O-CB 3.47Å; M567-Q571 PolarHBondContact O-N 3.32Å; E568-Q571 PolarHBondContact O-N 2.82Å; R569-Q571 VanDerWaalsContact C-N 3.28Å; R569-Q571 PolarHBondContact O-N 3.43Å; Q571-C574 PolarHBondContact O-N 3.39Å; Q571-T575 WeakPolarHBondContact O-CG2 3.27Å; Q571-T575 PolarHBondContact O-N 3.33Å; Q571-T575 PolarHBondContact O-OG1 3.42Å |
| 572 | K | 92.1 | Very high | 91.4 | Very high | 123 Ų | 123 | 103.8 Ų | 103.8 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 174.1 | -73.3 | 170.5 | -176.7 | 167.1 | 0 | 112.3 | E568 R569 T575 Q576 | E568-K572 WeakPolarHBondContact O-CB 3.38Å; E568-K572 WeakPolarHBondContact O-CG 3.42Å; E568-K572 PolarHBondContact O-N 2.92Å; R569-K572 PolarHBondContact O-N 3.05Å; K572-T575 PolarHBondContact O-N 2.88Å; K572-T575 PolarHBondContact O-OG1 3.44Å; K572-Q576 WeakPolarHBondContact O-CB 3.41Å; K572-Q576 VanDerWaalsContact O-CG 3.29Å; K572-Q576 WeakPolarHBondContact O-CG 3.45Å; K572-Q576 PolarHBondContact O-N 3.18Å |
| 573 | Q | 91.9 | Very high | 91.3 | Very high | 97 Ų | 97 | 104.9 Ų | 104.9 | 45% | 0.453 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 174.2 | -73.6 | 177.1 | -13.8 | 0 | 0 | 111.5 | R569 Y570 T575 Q576 L577 | R569-Q573 WeakPolarHBondContact O-CG 3.39Å; R569-Q573 PolarHBondContact O-N 2.87Å; Y570-Q573 PolarHBondContact O-N 3.35Å; Q573-T575 VanDerWaalsContact C-N 3.35Å; Q573-T575 PolarHBondContact O-N 3.29Å; Q573-Q576 PolarHBondContact O-N 2.96Å; Q573-L577 WeakPolarHBondContact O-CB 3.5Å; Q573-L577 VanDerWaalsContact O-CG 3.3Å; Q573-L577 WeakPolarHBondContact O-CG 3.1Å; Q573-L577 PolarHBondContact O-N 3.27Å |
| 574 | C | 87.4 | Confident | 91.1 | Very high | 82 Ų | 82 | 106.4 Ų | 106.4 | 55% | 0.554 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -38.9 | 176.1 | -71.7 | 0 | 0 | 0 | 0 | 112.2 | Y570 Q571 A578 | Y570-C574 WeakPolarHBondContact O-CB 3.33Å; Y570-C574 PolarHBondContact O-N 2.86Å; Y570-C574 PolarHBondContact O-SG 3.3Å; Q571-C574 PolarHBondContact O-N 3.39Å; C574-A578 VanDerWaalsContact O-CB 3.31Å; C574-A578 WeakPolarHBondContact O-CB 3.32Å; C574-A578 PolarHBondContact O-N 2.9Å |
| 575 | T | 89.9 | Confident | 91 | Very high | 88 Ų | 88 | 108.5 Ų | 108.5 | 54% | 0.54 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71 | -37.9 | 176.6 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | Q571 K572 Q573 A578 S579 | Q571-T575 WeakPolarHBondContact O-CG2 3.27Å; Q571-T575 PolarHBondContact O-N 3.33Å; Q571-T575 PolarHBondContact O-OG1 3.42Å; K572-T575 PolarHBondContact O-N 2.88Å; K572-T575 PolarHBondContact O-OG1 3.44Å; Q573-T575 VanDerWaalsContact C-N 3.35Å; Q573-T575 PolarHBondContact O-N 3.29Å; T575-A578 PolarHBondContact O-N 3.09Å; T575-S579 PolarHBondContact O-N 3.44Å |
| 576 | Q | 90.6 | Very high | 90.9 | Very high | 120 Ų | 120 | 107.9 Ų | 107.9 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.5 | -45.5 | 172 | -72.9 | 173.7 | -0.1 | 0 | 0 | 111.9 | K572 Q573 A578 S579 V580 | K572-Q576 WeakPolarHBondContact O-CB 3.41Å; K572-Q576 VanDerWaalsContact O-CG 3.29Å; K572-Q576 WeakPolarHBondContact O-CG 3.45Å; K572-Q576 PolarHBondContact O-N 3.18Å; Q573-Q576 PolarHBondContact O-N 2.96Å; Q576-A578 VanDerWaalsContact C-N 3.27Å; Q576-A578 PolarHBondContact O-N 3.34Å; Q576-S579 PolarHBondContact O-N 2.9Å; Q576-S579 VanDerWaalsContact O-N 3.15Å; Q576-S579 PolarHBondContact O-OG 3.34Å; Q576-V580 WeakPolarHBondContact O-CG2 3.33Å; Q576-V580 PolarHBondContact O-N 3.44Å |
| 577 | L | 88.1 | Confident | 90.7 | Very high | 102 Ų | 102 | 109.2 Ų | 109.2 | 53% | 0.534 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 175.3 | -72.1 | 174.9 | 0 | 0 | 0 | 111.6 | Q573 V580 R581 | Q573-L577 WeakPolarHBondContact O-CB 3.5Å; Q573-L577 VanDerWaalsContact O-CG 3.3Å; Q573-L577 WeakPolarHBondContact O-CG 3.1Å; Q573-L577 PolarHBondContact O-N 3.27Å; L577-V580 PolarHBondContact O-N 3.32Å; L577-R581 WeakPolarHBondContact O-CB 3.39Å; L577-R581 WeakPolarHBondContact O-CG 3.44Å; L577-R581 PolarHBondContact O-N 2.94Å |
| 578 | A | 90.1 | Very high | 90.8 | Very high | 48 Ų | 48 | 108 Ų | 108 | 40% | 0.397 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66 | -36.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | C574 T575 Q576 K582 | C574-A578 VanDerWaalsContact O-CB 3.31Å; C574-A578 WeakPolarHBondContact O-CB 3.32Å; C574-A578 PolarHBondContact O-N 2.9Å; T575-A578 PolarHBondContact O-N 3.09Å; Q576-A578 VanDerWaalsContact C-N 3.27Å; Q576-A578 PolarHBondContact O-N 3.34Å; A578-K582 WeakPolarHBondContact O-CG 3.3Å; A578-K582 PolarHBondContact O-N 2.83Å |
| 579 | S | 91.2 | Very high | 90.7 | Very high | 58 Ų | 58 | 105.9 Ų | 105.9 | 41% | 0.406 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70 | -41.1 | 174.8 | 68.3 | 0 | 0 | 0 | 0 | 112.2 | T575 Q576 K582 Q583 | T575-S579 PolarHBondContact O-N 3.44Å; Q576-S579 PolarHBondContact O-N 2.9Å; Q576-S579 VanDerWaalsContact O-N 3.15Å; Q576-S579 PolarHBondContact O-OG 3.34Å; S579-K582 PolarHBondContact O-N 3.28Å; S579-Q583 WeakPolarHBondContact O-CG 3.42Å; S579-Q583 PolarHBondContact O-N 3.34Å |
| 580 | V | 90.7 | Very high | 90.8 | Very high | 71 Ų | 71 | 99.2 Ų | 99.2 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111 | Q576 L577 K582 Q583 N584 | Q576-V580 WeakPolarHBondContact O-CG2 3.33Å; Q576-V580 PolarHBondContact O-N 3.44Å; L577-V580 PolarHBondContact O-N 3.32Å; V580-K582 PolarHBondContact O-N 3.4Å; V580-Q583 WeakPolarHBondContact O-CB 3.38Å; V580-Q583 PolarHBondContact O-N 2.95Å; V580-N584 PolarHBondContact O-N 2.96Å |
| 581 | R | 89.4 | Confident | 90.6 | Very high | 180 Ų | 180 | 96 Ų | 96 | 68% | 0.679 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.6 | -46.1 | 174.1 | -77.6 | 177.5 | -179.1 | 178.4 | 1.2 | 112.2 | L577 Q583 N584 D585 | L577-R581 WeakPolarHBondContact O-CB 3.39Å; L577-R581 WeakPolarHBondContact O-CG 3.44Å; L577-R581 PolarHBondContact O-N 2.94Å; R581-Q583 VanDerWaalsContact C-N 3.29Å; R581-Q583 PolarHBondContact O-N 2.89Å; R581-N584 PolarHBondContact O-N 2.72Å; R581-N584 VanDerWaalsContact O-N 3.15Å; R581-D585 VanDerWaalsContact O-CG 3.25Å; R581-D585 PolarHBondContact O-N 2.78Å |
| 582 | K | 92.8 | Very high | 90.6 | Very high | 155 Ų | 155 | 91.9 Ų | 91.9 | 67% | 0.674 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.7 | -37.3 | 175.7 | -73.1 | 179.6 | 179.8 | -176.3 | 0 | 113 | A578 S579 V580 A586 | A578-K582 WeakPolarHBondContact O-CG 3.3Å; A578-K582 PolarHBondContact O-N 2.83Å; S579-K582 PolarHBondContact O-N 3.28Å; V580-K582 PolarHBondContact O-N 3.4Å; K582-A586 WeakPolarHBondContact O-CB 3.41Å; K582-A586 PolarHBondContact O-N 2.96Å |
| 583 | Q | 92.7 | Very high | 90.6 | Very high | 124 Ų | 124 | 91.9 Ų | 91.9 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.8 | -41.5 | 174.9 | -73.5 | 174.4 | -32.4 | 0 | 0 | 111.6 | S579 V580 R581 A586 L587 | S579-Q583 WeakPolarHBondContact O-CG 3.42Å; S579-Q583 PolarHBondContact O-N 3.34Å; V580-Q583 WeakPolarHBondContact O-CB 3.38Å; V580-Q583 PolarHBondContact O-N 2.95Å; R581-Q583 VanDerWaalsContact C-N 3.29Å; R581-Q583 PolarHBondContact O-N 2.89Å; Q583-A586 PolarHBondContact O-N 2.85Å; Q583-L587 WeakPolarHBondContact O-CG 3.35Å; Q583-L587 PolarHBondContact O-N 2.88Å |
| 584 | N | 87.6 | Confident | 90.5 | Very high | 89 Ų | 89 | 92 Ų | 92 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 174 | -90 | -1.2 | 0 | 0 | 0 | 112.2 | V580 R581 A586 L587 D588 | V580-N584 PolarHBondContact O-N 2.96Å; R581-N584 PolarHBondContact O-N 2.72Å; R581-N584 VanDerWaalsContact O-N 3.15Å; N584-A586 PolarHBondContact O-N 3.36Å; N584-L587 PolarHBondContact O-N 2.98Å; N584-L587 VanDerWaalsContact O-N 3.09Å; N584-D588 PolarHBondContact O-N 2.87Å |
| 585 | D | 92.1 | Very high | 90.7 | Very high | 107 Ų | 107 | 94.7 Ų | 94.7 | 57% | 0.572 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.3 | -37.2 | 176.5 | -63.8 | -27.8 | 0 | 0 | 0 | 111.2 | R581 A589 | R581-D585 VanDerWaalsContact O-CG 3.25Å; R581-D585 PolarHBondContact O-N 2.78Å; D585-A589 WeakPolarHBondContact O-CB 3.42Å; D585-A589 PolarHBondContact O-N 3.49Å |
| 586 | A | 91.7 | Very high | 90.8 | Very high | 60 Ų | 60 | 94.8 Ų | 94.8 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.7 | -39.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K582 Q583 N584 A589 A590 | K582-A586 WeakPolarHBondContact O-CB 3.41Å; K582-A586 PolarHBondContact O-N 2.96Å; Q583-A586 PolarHBondContact O-N 2.85Å; N584-A586 PolarHBondContact O-N 3.36Å; A586-A589 PolarHBondContact O-N 2.87Å; A586-A590 WeakPolarHBondContact O-CB 3.35Å; A586-A590 PolarHBondContact O-N 3.49Å |
| 587 | L | 90.5 | Very high | 90.9 | Very high | 104 Ų | 104 | 94.1 Ų | 94.1 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 174.7 | -73 | 173.8 | 0 | 0 | 0 | 111.9 | Q583 N584 A590 N591 | Q583-L587 WeakPolarHBondContact O-CG 3.35Å; Q583-L587 PolarHBondContact O-N 2.88Å; N584-L587 PolarHBondContact O-N 2.98Å; N584-L587 VanDerWaalsContact O-N 3.09Å; L587-A590 PolarHBondContact O-N 3.44Å; L587-N591 WeakPolarHBondContact O-CB 3.46Å; L587-N591 PolarHBondContact O-N 3.39Å; L587-N591 PolarHBondContact O-ND2 2.86Å |
| 588 | D | 90.7 | Very high | 91 | Very high | 104 Ų | 104 | 97 Ų | 97 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67 | -39.2 | 175.6 | -77.8 | -28.9 | 0 | 0 | 0 | 111.7 | N584 N591 A592 | N584-D588 PolarHBondContact O-N 2.87Å; D588-N591 PolarHBondContact O-N 3.5Å; D588-A592 WeakPolarHBondContact O-CB 3.27Å; D588-A592 PolarHBondContact O-N 2.89Å |
| 589 | A | 91.6 | Very high | 91.1 | Very high | 49 Ų | 49 | 100.8 Ų | 100.8 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D585 A586 N591 A592 E593 | D585-A589 WeakPolarHBondContact O-CB 3.42Å; D585-A589 PolarHBondContact O-N 3.49Å; A586-A589 PolarHBondContact O-N 2.87Å; A589-N591 VanDerWaalsContact C-N 3.32Å; A589-N591 PolarHBondContact O-N 2.87Å; A589-A592 WeakPolarHBondContact O-CB 3.48Å; A589-A592 PolarHBondContact O-N 3.01Å; A589-A592 VanDerWaalsContact O-N 3.1Å; A589-E593 WeakPolarHBondContact O-CG 3.34Å; A589-E593 PolarHBondContact O-N 3.01Å |
| 590 | A | 93 | Very high | 91.2 | Very high | 39 Ų | 39 | 102.6 Ų | 102.6 | 32% | 0.322 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A586 L587 A592 E593 L594 | A586-A590 WeakPolarHBondContact O-CB 3.35Å; A586-A590 PolarHBondContact O-N 3.49Å; L587-A590 PolarHBondContact O-N 3.44Å; A590-A592 VanDerWaalsContact C-N 3.34Å; A590-A592 PolarHBondContact O-N 2.88Å; A590-E593 PolarHBondContact O-N 3.07Å; A590-L594 WeakPolarHBondContact O-CG 3.44Å; A590-L594 PolarHBondContact O-N 3.37Å |
| 591 | N | 87.7 | Confident | 91.1 | Very high | 83 Ų | 83 | 104.2 Ų | 104.2 | 44% | 0.444 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.9 | -35.2 | 174.3 | -82.8 | -36.5 | 0 | 0 | 0 | 112.6 | L587 D588 A589 K595 | L587-N591 WeakPolarHBondContact O-CB 3.46Å; L587-N591 PolarHBondContact O-N 3.39Å; L587-N591 PolarHBondContact O-ND2 2.86Å; D588-N591 PolarHBondContact O-N 3.5Å; A589-N591 VanDerWaalsContact C-N 3.32Å; A589-N591 PolarHBondContact O-N 2.87Å; N591-K595 WeakPolarHBondContact O-CB 3.49Å; N591-K595 VanDerWaalsContact O-CG 3.23Å; N591-K595 WeakPolarHBondContact O-CG 3.47Å; N591-K595 PolarHBondContact O-N 3.35Å |
| 592 | A | 90.4 | Very high | 91.3 | Very high | 47 Ų | 47 | 98.4 Ų | 98.4 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -40.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D588 A589 A590 K595 N596 | D588-A592 WeakPolarHBondContact O-CB 3.27Å; D588-A592 PolarHBondContact O-N 2.89Å; A589-A592 WeakPolarHBondContact O-CB 3.48Å; A589-A592 PolarHBondContact O-N 3.01Å; A589-A592 VanDerWaalsContact O-N 3.1Å; A590-A592 VanDerWaalsContact C-N 3.34Å; A590-A592 PolarHBondContact O-N 2.88Å; A592-K595 PolarHBondContact O-N 3.41Å; A592-N596 PolarHBondContact O-N 3.04Å; A592-N596 PolarHBondContact O-ND2 3.19Å |
| 593 | E | 92.4 | Very high | 91.1 | Very high | 122 Ų | 122 | 96.7 Ų | 96.7 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.1 | -51.6 | 173.7 | -71.4 | 173.9 | -178.6 | 0 | 0 | 111.4 | A589 A590 K595 N596 E597 | A589-E593 WeakPolarHBondContact O-CG 3.34Å; A589-E593 PolarHBondContact O-N 3.01Å; A590-E593 PolarHBondContact O-N 3.07Å; E593-K595 VanDerWaalsContact C-N 3.29Å; E593-K595 PolarHBondContact O-N 3.12Å; E593-N596 CarbonylContact O-C 3.56Å; E593-N596 WeakPolarHBondContact O-CA 3.49Å; E593-N596 WeakPolarHBondContact O-CB 3.32Å; E593-N596 PolarHBondContact O-N 3.5Å; E593-E597 WeakPolarHBondContact O-CG 3.48Å; E593-E597 PolarHBondContact O-N 2.88Å |
| 594 | L | 89.7 | Confident | 91 | Very high | 101 Ų | 101 | 96.3 Ų | 96.3 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -36.6 | 176.2 | -75.6 | 171.8 | 0 | 0 | 0 | 112.8 | A590 N596 E597 K598 | A590-L594 WeakPolarHBondContact O-CG 3.44Å; A590-L594 PolarHBondContact O-N 3.37Å; L594-N596 VanDerWaalsContact C-N 3.35Å; L594-E597 PolarHBondContact O-N 3.11Å; L594-K598 VanDerWaalsContact O-CB 3.31Å; L594-K598 WeakPolarHBondContact O-CB 3.11Å; L594-K598 PolarHBondContact O-N 3.22Å |
| 595 | K | 92 | Very high | 91.1 | Very high | 138 Ų | 138 | 95.9 Ų | 95.9 | 60% | 0.6 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.4 | -38.7 | 173.3 | -80.1 | 171.9 | -176.5 | 171.6 | 0 | 111.8 | N591 A592 E593 K599 | N591-K595 WeakPolarHBondContact O-CB 3.49Å; N591-K595 VanDerWaalsContact O-CG 3.23Å; N591-K595 WeakPolarHBondContact O-CG 3.47Å; N591-K595 PolarHBondContact O-N 3.35Å; A592-K595 PolarHBondContact O-N 3.41Å; E593-K595 VanDerWaalsContact C-N 3.29Å; E593-K595 PolarHBondContact O-N 3.12Å; K595-K599 WeakPolarHBondContact O-CG 3.24Å; K595-K599 PolarHBondContact O-N 3.18Å |
| 596 | N | 91.7 | Very high | 91 | Very high | 89 Ų | 89 | 94.8 Ų | 94.8 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.4 | -43 | 176.3 | -69.2 | -23.4 | 0 | 0 | 0 | 111 | A592 E593 L594 K598 K599 N600 | A592-N596 PolarHBondContact O-N 3.04Å; A592-N596 PolarHBondContact O-ND2 3.19Å; E593-N596 CarbonylContact O-C 3.56Å; E593-N596 WeakPolarHBondContact O-CA 3.49Å; E593-N596 WeakPolarHBondContact O-CB 3.32Å; E593-N596 PolarHBondContact O-N 3.5Å; L594-N596 VanDerWaalsContact C-N 3.35Å; N596-K598 PolarHBondContact O-N 2.89Å; N596-K599 PolarHBondContact O-N 3.46Å; N596-N600 WeakPolarHBondContact O-CB 3.34Å; N596-N600 PolarHBondContact O-N 2.87Å; N596-N600 PolarHBondContact O-ND2 3.34Å; N596-N600 PolarHBondContact O-OD1 3.39Å |
| 597 | E | 92.4 | Very high | 90.9 | Very high | 107 Ų | 107 | 97.8 Ų | 97.8 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 172.8 | -71.5 | -179 | 171.3 | 0 | 0 | 111.7 | E593 L594 K599 N600 L601 | E593-E597 WeakPolarHBondContact O-CG 3.48Å; E593-E597 PolarHBondContact O-N 2.88Å; L594-E597 PolarHBondContact O-N 3.11Å; E597-K599 VanDerWaalsContact C-N 3.33Å; E597-K599 PolarHBondContact O-N 3.31Å; E597-N600 PolarHBondContact O-N 3.46Å; E597-N600 VanDerWaalsContact O-N 3.16Å; E597-L601 WeakPolarHBondContact O-CB 3.47Å; E597-L601 WeakPolarHBondContact O-CG 3.44Å; E597-L601 PolarHBondContact O-N 2.9Å |
| 598 | K | 91 | Very high | 90.8 | Very high | 161 Ų | 161 | 97.8 Ų | 97.8 | 70% | 0.7 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.1 | -43.3 | 174.8 | -178.8 | 178.5 | 178 | 177.3 | 0 | 111.9 | L594 N596 S602 | L594-K598 VanDerWaalsContact O-CB 3.31Å; L594-K598 WeakPolarHBondContact O-CB 3.11Å; L594-K598 PolarHBondContact O-N 3.22Å; N596-K598 PolarHBondContact O-N 2.89Å; K598-S602 VanDerWaalsContact O-CB 3.24Å; K598-S602 WeakPolarHBondContact O-CB 3.23Å; K598-S602 PolarHBondContact O-N 3.38Å |
| 599 | K | 92.7 | Very high | 90.9 | Very high | 128 Ų | 128 | 98.5 Ų | 98.5 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 175.4 | -76.4 | 175.7 | -179.9 | 179.9 | 0 | 111.4 | K595 N596 E597 S602 Q603 | K595-K599 WeakPolarHBondContact O-CG 3.24Å; K595-K599 PolarHBondContact O-N 3.18Å; N596-K599 PolarHBondContact O-N 3.46Å; E597-K599 VanDerWaalsContact C-N 3.33Å; E597-K599 PolarHBondContact O-N 3.31Å; K599-S602 PolarHBondContact O-N 3.24Å; K599-Q603 WeakPolarHBondContact O-CB 3.39Å; K599-Q603 VanDerWaalsContact O-CG 3.25Å; K599-Q603 WeakPolarHBondContact O-CG 3.46Å; K599-Q603 PolarHBondContact O-N 2.89Å |
| 600 | N | 91.9 | Very high | 90.7 | Very high | 96 Ų | 96 | 103.2 Ų | 103.2 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 178.3 | -67.1 | -15.5 | 0 | 0 | 0 | 111.5 | N596 E597 Q603 Q604 | N596-N600 WeakPolarHBondContact O-CB 3.34Å; N596-N600 PolarHBondContact O-N 2.87Å; N596-N600 PolarHBondContact O-ND2 3.34Å; N596-N600 PolarHBondContact O-OD1 3.39Å; E597-N600 PolarHBondContact O-N 3.46Å; E597-N600 VanDerWaalsContact O-N 3.16Å; N600-Q603 PolarHBondContact O-N 3.09Å; N600-Q604 WeakPolarHBondContact O-CB 3.33Å; N600-Q604 PolarHBondContact O-N 2.87Å |
| 601 | L | 89.9 | Confident | 90.7 | Very high | 105 Ų | 105 | 106.9 Ų | 106.9 | 55% | 0.55 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 175.1 | -70.8 | 173.7 | 0 | 0 | 0 | 111.3 | E597 Q604 V605 | E597-L601 WeakPolarHBondContact O-CB 3.47Å; E597-L601 WeakPolarHBondContact O-CG 3.44Å; E597-L601 PolarHBondContact O-N 2.9Å; L601-Q604 PolarHBondContact O-N 2.79Å; L601-V605 WeakPolarHBondContact O-CG2 3.47Å; L601-V605 PolarHBondContact O-N 2.94Å |
| 602 | S | 92.3 | Very high | 90.7 | Very high | 59 Ų | 59 | 108 Ų | 108 | 41% | 0.413 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 174.5 | -166.8 | 0 | 0 | 0 | 0 | 111.3 | K598 K599 Q604 V605 E606 | K598-S602 VanDerWaalsContact O-CB 3.24Å; K598-S602 WeakPolarHBondContact O-CB 3.23Å; K598-S602 PolarHBondContact O-N 3.38Å; K599-S602 PolarHBondContact O-N 3.24Å; S602-Q604 VanDerWaalsContact C-N 3.28Å; S602-Q604 PolarHBondContact O-N 3.39Å; S602-V605 PolarHBondContact O-N 2.88Å; S602-E606 WeakPolarHBondContact O-CG 3.4Å; S602-E606 PolarHBondContact O-N 2.91Å |
| 603 | Q | 89.6 | Confident | 90.5 | Very high | 119 Ų | 119 | 108.2 Ų | 108.2 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.5 | -36.5 | 175.5 | -73.4 | 173 | 11.2 | 0 | 0 | 112 | K599 N600 F607 | K599-Q603 WeakPolarHBondContact O-CB 3.39Å; K599-Q603 VanDerWaalsContact O-CG 3.25Å; K599-Q603 WeakPolarHBondContact O-CG 3.46Å; K599-Q603 PolarHBondContact O-N 2.89Å; N600-Q603 PolarHBondContact O-N 3.09Å; Q603-F607 WeakPolarHBondContact O-CB 3.39Å; Q603-F607 PolarHBondContact O-N 3.46Å |
| 604 | Q | 89.3 | Confident | 90.3 | Very high | 116 Ų | 116 | 104.6 Ų | 104.6 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 176.5 | -170.4 | 170.6 | 16.4 | 0 | 0 | 112 | N600 L601 S602 F607 Q608 | N600-Q604 WeakPolarHBondContact O-CB 3.33Å; N600-Q604 PolarHBondContact O-N 2.87Å; L601-Q604 PolarHBondContact O-N 2.79Å; S602-Q604 VanDerWaalsContact C-N 3.28Å; S602-Q604 PolarHBondContact O-N 3.39Å; Q604-F607 PolarHBondContact O-N 3.28Å; Q604-Q608 WeakPolarHBondContact O-CG 3.43Å; Q604-Q608 PolarHBondContact O-N 3.22Å |
| 605 | V | 89.7 | Confident | 90.2 | Very high | 80 Ų | 80 | 104.6 Ų | 104.6 | 49% | 0.485 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -49 | 173.5 | 170.5 | 0 | 0 | 0 | 0 | 110.2 | L601 S602 F607 Q608 E609 | L601-V605 WeakPolarHBondContact O-CG2 3.47Å; L601-V605 PolarHBondContact O-N 2.94Å; S602-V605 PolarHBondContact O-N 2.88Å; V605-F607 PolarHBondContact O-N 2.99Å; V605-Q608 WeakPolarHBondContact O-CB 3.4Å; V605-Q608 PolarHBondContact O-N 3.05Å; V605-E609 HydrophobicContact CG1-CG 4.39Å; V605-E609 WeakPolarHBondContact O-CG 3.46Å; V605-E609 PolarHBondContact O-N 3.39Å |
| 606 | E | 90.4 | Very high | 90.1 | Very high | 83 Ų | 83 | 100.7 Ų | 100.7 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.9 | -36.4 | 175.7 | -72.7 | 178.9 | -161.4 | 0 | 0 | 112.3 | S602 R610 | S602-E606 WeakPolarHBondContact O-CG 3.4Å; S602-E606 PolarHBondContact O-N 2.91Å; E606-R610 WeakPolarHBondContact O-CB 3.47Å; E606-R610 VanDerWaalsContact O-CG 3.3Å; E606-R610 WeakPolarHBondContact O-CG 3.32Å; E606-R610 PolarHBondContact O-N 3.17Å; E606-R610 IonicContact OE2-NH2 2.75Å; E606-R610 PolarHBondContact OE2-NH2 3.47Å |
| 607 | F | 90.9 | Very high | 89.8 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 174.5 | 177.6 | -94.7 | 0 | 0 | 0 | 112 | Q603 Q604 V605 R610 K611 | Q603-F607 WeakPolarHBondContact O-CB 3.39Å; Q603-F607 PolarHBondContact O-N 3.46Å; Q604-F607 PolarHBondContact O-N 3.28Å; V605-F607 PolarHBondContact O-N 2.99Å; F607-R610 PolarHBondContact O-N 3.22Å; F607-K611 HydrophobicContact CE1-CD 4.47Å; F607-K611 VanDerWaalsContact O-CB 3.28Å; F607-K611 WeakPolarHBondContact O-CB 3.4Å; F607-K611 PolarHBondContact O-N 2.65Å |
| 608 | Q | 88.1 | Confident | 89.4 | Confident | 104 Ų | 104 | 102.1 Ų | 102.1 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 175.4 | -66.7 | -109.2 | -29.1 | 0 | 0 | 111.1 | Q604 V605 K611 I612 | Q604-Q608 WeakPolarHBondContact O-CG 3.43Å; Q604-Q608 PolarHBondContact O-N 3.22Å; V605-Q608 WeakPolarHBondContact O-CB 3.4Å; V605-Q608 PolarHBondContact O-N 3.05Å; Q608-K611 PolarHBondContact O-N 3.35Å; Q608-I612 WeakPolarHBondContact O-CB 3.38Å; Q608-I612 VanDerWaalsContact O-CG1 3.26Å; Q608-I612 WeakPolarHBondContact O-CG1 3.31Å; Q608-I612 PolarHBondContact O-N 2.86Å |
| 609 | E | 91.6 | Very high | 89.1 | Confident | 119 Ų | 119 | 99.1 Ų | 99.1 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.1 | -47.7 | 175.5 | -73.2 | 177 | 169.1 | 0 | 0 | 111.5 | V605 K611 I612 A613 | V605-E609 HydrophobicContact CG1-CG 4.39Å; V605-E609 WeakPolarHBondContact O-CG 3.46Å; V605-E609 PolarHBondContact O-N 3.39Å; E609-K611 VanDerWaalsContact C-N 3.31Å; E609-K611 PolarHBondContact O-N 2.8Å; E609-I612 PolarHBondContact O-N 3.4Å; E609-A613 WeakPolarHBondContact O-CB 3.3Å; E609-A613 PolarHBondContact O-N 3.41Å |
| 610 | R | 88.5 | Confident | 88.9 | Confident | 148 Ų | 148 | 97.4 Ų | 97.4 | 56% | 0.558 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -38.8 | 174.7 | -74.3 | -178.2 | -117.6 | 136.3 | -4.9 | 112.2 | E606 F607 A613 A614 | E606-R610 WeakPolarHBondContact O-CB 3.47Å; E606-R610 VanDerWaalsContact O-CG 3.3Å; E606-R610 WeakPolarHBondContact O-CG 3.32Å; E606-R610 PolarHBondContact O-N 3.17Å; E606-R610 IonicContact OE2-NH2 2.75Å; E606-R610 PolarHBondContact OE2-NH2 3.47Å; F607-R610 PolarHBondContact O-N 3.22Å; R610-A613 PolarHBondContact O-N 2.95Å; R610-A614 WeakPolarHBondContact O-CB 3.48Å; R610-A614 PolarHBondContact O-N 3.47Å |
| 611 | K | 91.8 | Very high | 88.3 | Confident | 116 Ų | 116 | 96.7 Ų | 96.7 | 50% | 0.504 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 175.9 | -176.4 | -178.8 | 177.1 | -175.5 | 0 | 111.7 | F607 Q608 E609 L615 | F607-K611 HydrophobicContact CE1-CD 4.47Å; F607-K611 VanDerWaalsContact O-CB 3.28Å; F607-K611 WeakPolarHBondContact O-CB 3.4Å; F607-K611 PolarHBondContact O-N 2.65Å; Q608-K611 PolarHBondContact O-N 3.35Å; E609-K611 VanDerWaalsContact C-N 3.31Å; E609-K611 PolarHBondContact O-N 2.8Å; K611-L615 HydrophobicContact CG-CD1 4.19Å; K611-L615 WeakPolarHBondContact O-CB 3.49Å; K611-L615 VanDerWaalsContact O-CG 3.26Å; K611-L615 WeakPolarHBondContact O-CG 3.26Å; K611-L615 PolarHBondContact O-N 3.26Å |
| 612 | I | 87.9 | Confident | 87.9 | Confident | 108 Ų | 108 | 97.4 Ų | 97.4 | 55% | 0.554 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.2 | -42.8 | 176.5 | -69.1 | 165 | 0 | 0 | 0 | 110.1 | Q608 E609 L615 S616 | Q608-I612 WeakPolarHBondContact O-CB 3.38Å; Q608-I612 VanDerWaalsContact O-CG1 3.26Å; Q608-I612 WeakPolarHBondContact O-CG1 3.31Å; Q608-I612 PolarHBondContact O-N 2.86Å; E609-I612 PolarHBondContact O-N 3.4Å; I612-L615 PolarHBondContact O-N 3.35Å; I612-S616 VanDerWaalsContact O-CB 3.31Å; I612-S616 WeakPolarHBondContact O-CB 3.28Å; I612-S616 PolarHBondContact O-N 2.91Å; I612-S616 PolarHBondContact O-OG 2.87Å |
| 613 | A | 87.5 | Confident | 87.4 | Confident | 51 Ų | 51 | 101.1 Ų | 101.1 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -50 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E609 R610 L615 S616 E617 | E609-A613 WeakPolarHBondContact O-CB 3.3Å; E609-A613 PolarHBondContact O-N 3.41Å; R610-A613 PolarHBondContact O-N 2.95Å; A613-L615 PolarHBondContact O-N 2.97Å; A613-S616 WeakPolarHBondContact CA-OG 3.49Å; A613-S616 PolarHBondContact O-N 3.38Å; A613-S616 VanDerWaalsContact O-N 3.13Å; A613-S616 PolarHBondContact O-OG 3.24Å; A613-E617 WeakPolarHBondContact O-CB 3.21Å; A613-E617 PolarHBondContact O-N 3.4Å |
| 614 | A | 87.5 | Confident | 87 | Confident | 45 Ų | 45 | 100.4 Ų | 100.4 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R610 S616 E617 D618 | R610-A614 WeakPolarHBondContact O-CB 3.48Å; R610-A614 PolarHBondContact O-N 3.47Å; A614-S616 VanDerWaalsContact C-N 3.29Å; A614-S616 PolarHBondContact O-N 3.49Å; A614-E617 PolarHBondContact O-N 3.29Å; A614-D618 WeakPolarHBondContact O-CB 3.45Å; A614-D618 PolarHBondContact O-N 3.4Å |
| 615 | L | 87.1 | Confident | 86.6 | Confident | 102 Ų | 102 | 102.9 Ų | 102.9 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -33.8 | 175.5 | -73.1 | 173.2 | 0 | 0 | 0 | 112.6 | K611 I612 A613 L619 | K611-L615 HydrophobicContact CG-CD1 4.19Å; K611-L615 WeakPolarHBondContact O-CB 3.49Å; K611-L615 VanDerWaalsContact O-CG 3.26Å; K611-L615 WeakPolarHBondContact O-CG 3.26Å; K611-L615 PolarHBondContact O-N 3.26Å; I612-L615 PolarHBondContact O-N 3.35Å; A613-L615 PolarHBondContact O-N 2.97Å; L615-L619 WeakPolarHBondContact O-CB 3.27Å; L615-L619 PolarHBondContact O-N 3.33Å |
| 616 | S | 90.4 | Very high | 86 | Confident | 55 Ų | 55 | 101.9 Ų | 101.9 | 39% | 0.385 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.9 | -37.8 | 175.7 | 75.2 | 0 | 0 | 0 | 0 | 111.4 | I612 A613 A614 L619 I620 | I612-S616 VanDerWaalsContact O-CB 3.31Å; I612-S616 WeakPolarHBondContact O-CB 3.28Å; I612-S616 PolarHBondContact O-N 2.91Å; I612-S616 PolarHBondContact O-OG 2.87Å; A613-S616 WeakPolarHBondContact CA-OG 3.49Å; A613-S616 PolarHBondContact O-N 3.38Å; A613-S616 VanDerWaalsContact O-N 3.13Å; A613-S616 PolarHBondContact O-OG 3.24Å; A614-S616 VanDerWaalsContact C-N 3.29Å; A614-S616 PolarHBondContact O-N 3.49Å; S616-L619 PolarHBondContact O-N 2.68Å; S616-I620 WeakPolarHBondContact O-CD1 3.33Å; S616-I620 WeakPolarHBondContact O-CG1 3.3Å; S616-I620 PolarHBondContact O-N 3.26Å |
| 617 | E | 85.8 | Confident | 85.5 | Confident | 129 Ų | 129 | 100.6 Ų | 100.6 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.7 | -44.8 | 176.7 | -159.2 | 168.3 | -155.4 | 0 | 0 | 110.7 | A613 A614 L619 I620 L621 | A613-E617 WeakPolarHBondContact O-CB 3.21Å; A613-E617 PolarHBondContact O-N 3.4Å; A614-E617 PolarHBondContact O-N 3.29Å; E617-L619 VanDerWaalsContact C-N 3.33Å; E617-L619 PolarHBondContact O-N 2.99Å; E617-I620 WeakPolarHBondContact O-CB 3.38Å; E617-I620 PolarHBondContact O-N 3.39Å; E617-I620 VanDerWaalsContact O-N 3.14Å; E617-L621 WeakPolarHBondContact O-CG 3.45Å; E617-L621 PolarHBondContact O-N 3.3Å |
| 618 | D | 83.3 | Confident | 85 | Confident | 98 Ų | 98 | 99.1 Ų | 99.1 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 171.5 | -75.2 | -20.2 | 0 | 0 | 0 | 111.6 | A614 I620 L621 E622 | A614-D618 WeakPolarHBondContact O-CB 3.45Å; A614-D618 PolarHBondContact O-N 3.4Å; D618-I620 VanDerWaalsContact C-N 3.33Å; D618-I620 PolarHBondContact O-N 3.24Å; D618-L621 PolarHBondContact O-N 2.94Å; D618-E622 VanDerWaalsContact O-CB 3.3Å; D618-E622 WeakPolarHBondContact O-CB 3.4Å; D618-E622 PolarHBondContact O-N 3.28Å |
| 619 | L | 85.6 | Confident | 84.4 | Confident | 97 Ų | 97 | 98.5 Ų | 98.5 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65 | -36.8 | 175.5 | -177.6 | 66.3 | 0 | 0 | 0 | 111.7 | L615 S616 E617 K623 | L615-L619 WeakPolarHBondContact O-CB 3.27Å; L615-L619 PolarHBondContact O-N 3.33Å; S616-L619 PolarHBondContact O-N 2.68Å; E617-L619 VanDerWaalsContact C-N 3.33Å; E617-L619 PolarHBondContact O-N 2.99Å; L619-K623 HydrophobicContact CG-CD 4.49Å; L619-K623 VanDerWaalsContact O-CB 3.32Å; L619-K623 WeakPolarHBondContact O-CB 3.44Å; L619-K623 VanDerWaalsContact O-CG 3.26Å; L619-K623 WeakPolarHBondContact O-CG 3.49Å; L619-K623 PolarHBondContact O-N 2.81Å |
| 620 | I | 86.8 | Confident | 83.6 | Confident | 92 Ų | 92 | 97.3 Ų | 97.3 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -47.6 | 174.3 | -70.8 | 160.8 | 0 | 0 | 0 | 109.9 | S616 E617 D618 E622 K623 Q624 | S616-I620 WeakPolarHBondContact O-CD1 3.33Å; S616-I620 WeakPolarHBondContact O-CG1 3.3Å; S616-I620 PolarHBondContact O-N 3.26Å; E617-I620 WeakPolarHBondContact O-CB 3.38Å; E617-I620 PolarHBondContact O-N 3.39Å; E617-I620 VanDerWaalsContact O-N 3.14Å; D618-I620 VanDerWaalsContact C-N 3.33Å; D618-I620 PolarHBondContact O-N 3.24Å; I620-E622 VanDerWaalsContact C-N 3.33Å; I620-E622 PolarHBondContact O-N 2.81Å; I620-K623 PolarHBondContact O-N 3.45Å; I620-Q624 HydrophobicContact CG2-CG 4.45Å; I620-Q624 WeakPolarHBondContact O-CB 3.46Å; I620-Q624 VanDerWaalsContact O-CG 3.3Å; I620-Q624 WeakPolarHBondContact O-CG 3.44Å; I620-Q624 PolarHBondContact O-N 3.46Å |
| 621 | L | 80.9 | Confident | 83 | Confident | 81 Ų | 81 | 95.7 Ų | 95.7 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 178 | -70.5 | 174.8 | 0 | 0 | 0 | 111.7 | E617 D618 Q624 R625 | E617-L621 WeakPolarHBondContact O-CG 3.45Å; E617-L621 PolarHBondContact O-N 3.3Å; D618-L621 PolarHBondContact O-N 2.94Å; L621-Q624 PolarHBondContact O-N 2.82Å; L621-R625 WeakPolarHBondContact O-CB 3.29Å; L621-R625 VanDerWaalsContact O-CG 3.29Å; L621-R625 WeakPolarHBondContact O-CG 3.26Å; L621-R625 PolarHBondContact O-N 2.86Å |
| 622 | E | 81.7 | Confident | 82.1 | Confident | 121 Ų | 121 | 95.2 Ų | 95.2 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.3 | -40.6 | 176.5 | -170.3 | 61 | -158.7 | 0 | 0 | 111.5 | D618 I620 Q624 R625 S626 | D618-E622 VanDerWaalsContact O-CB 3.3Å; D618-E622 WeakPolarHBondContact O-CB 3.4Å; D618-E622 PolarHBondContact O-N 3.28Å; I620-E622 VanDerWaalsContact C-N 3.33Å; I620-E622 PolarHBondContact O-N 2.81Å; E622-Q624 VanDerWaalsContact C-N 3.32Å; E622-Q624 PolarHBondContact O-N 3.11Å; E622-R625 PolarHBondContact O-N 2.81Å; E622-S626 WeakPolarHBondContact O-CB 3.48Å; E622-S626 PolarHBondContact O-N 2.95Å |
| 623 | K | 81.2 | Confident | 81.5 | Confident | 136 Ų | 136 | 93 Ų | 93 | 59% | 0.591 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.9 | -38.8 | 172.1 | -79.1 | -178.9 | 176 | -173 | 0 | 112.1 | L619 I620 S627 | L619-K623 HydrophobicContact CG-CD 4.49Å; L619-K623 VanDerWaalsContact O-CB 3.32Å; L619-K623 WeakPolarHBondContact O-CB 3.44Å; L619-K623 VanDerWaalsContact O-CG 3.26Å; L619-K623 WeakPolarHBondContact O-CG 3.49Å; L619-K623 PolarHBondContact O-N 2.81Å; I620-K623 PolarHBondContact O-N 3.45Å; K623-S627 VanDerWaalsContact O-CB 3.28Å; K623-S627 WeakPolarHBondContact O-CB 3.4Å; K623-S627 PolarHBondContact O-N 3.49Å |
| 624 | Q | 80.8 | Confident | 80.5 | Confident | 105 Ų | 105 | 92.9 Ų | 92.9 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 173.7 | -75.4 | 176 | -6.6 | 0 | 0 | 111.2 | I620 L621 E622 S627 I628 | I620-Q624 HydrophobicContact CG2-CG 4.45Å; I620-Q624 WeakPolarHBondContact O-CB 3.46Å; I620-Q624 VanDerWaalsContact O-CG 3.3Å; I620-Q624 WeakPolarHBondContact O-CG 3.44Å; I620-Q624 PolarHBondContact O-N 3.46Å; L621-Q624 PolarHBondContact O-N 2.82Å; E622-Q624 VanDerWaalsContact C-N 3.32Å; E622-Q624 PolarHBondContact O-N 3.11Å; Q624-S627 PolarHBondContact O-N 3.44Å; Q624-I628 WeakPolarHBondContact O-CB 3.49Å; Q624-I628 WeakPolarHBondContact O-CD1 3.38Å; Q624-I628 VanDerWaalsContact O-CG1 3.22Å; Q624-I628 WeakPolarHBondContact O-CG1 3.47Å; Q624-I628 PolarHBondContact O-N 3.44Å |
| 625 | R | 80.1 | Confident | 79.5 | Confident | 168 Ų | 168 | 95.2 Ų | 95.2 | 63% | 0.634 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.4 | -46.9 | 174.8 | -75.6 | 173.1 | -177.7 | -95.6 | 0.1 | 111.9 | L621 E622 S627 I628 V629 | L621-R625 WeakPolarHBondContact O-CB 3.29Å; L621-R625 VanDerWaalsContact O-CG 3.29Å; L621-R625 WeakPolarHBondContact O-CG 3.26Å; L621-R625 PolarHBondContact O-N 2.86Å; E622-R625 PolarHBondContact O-N 2.81Å; R625-S627 PolarHBondContact O-N 3.25Å; R625-I628 PolarHBondContact O-N 2.81Å; R625-V629 WeakPolarHBondContact O-CB 3.5Å; R625-V629 VanDerWaalsContact O-CG2 3.28Å; R625-V629 WeakPolarHBondContact O-CG2 3.42Å; R625-V629 PolarHBondContact O-N 3.32Å |
| 626 | S | 77.6 | Confident | 78.4 | Confident | 58 Ų | 58 | 96.8 Ų | 96.8 | 41% | 0.406 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.9 | -48.6 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | E622 I628 V629 D630 | E622-S626 WeakPolarHBondContact O-CB 3.48Å; E622-S626 PolarHBondContact O-N 2.95Å; S626-I628 VanDerWaalsContact C-N 3.34Å; S626-I628 PolarHBondContact O-N 3.41Å; S626-V629 CarbonylContact O-C 3.56Å; S626-V629 PolarHBondContact O-N 3.3Å; S626-V629 VanDerWaalsContact O-N 3.16Å; S626-D630 WeakPolarHBondContact O-CB 3.49Å; S626-D630 PolarHBondContact O-N 2.88Å; S626-D630 VanDerWaalsContact O-OD2 3.12Å; S626-D630 PolarHBondContact OG-OD2 2.68Å |
| 627 | S | 79.9 | Confident | 77.2 | Confident | 57 Ų | 57 | 99.8 Ų | 99.8 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 177.8 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | K623 Q624 R625 D630 Q631 | K623-S627 VanDerWaalsContact O-CB 3.28Å; K623-S627 WeakPolarHBondContact O-CB 3.4Å; K623-S627 PolarHBondContact O-N 3.49Å; Q624-S627 PolarHBondContact O-N 3.44Å; R625-S627 PolarHBondContact O-N 3.25Å; S627-D630 PolarHBondContact O-N 2.77Å; S627-Q631 VanDerWaalsContact O-CB 3.32Å; S627-Q631 WeakPolarHBondContact O-CB 3.36Å; S627-Q631 WeakPolarHBondContact O-CG 3.32Å; S627-Q631 PolarHBondContact O-N 2.85Å; S627-Q631 PolarHBondContact O-OE1 2.94Å |
| 628 | I | 79.8 | Confident | 76.1 | Confident | 91 Ų | 91 | 97 Ų | 97 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 177.1 | -69.4 | 163.4 | 0 | 0 | 0 | 110.3 | Q624 R625 S626 Q631 L632 | Q624-I628 WeakPolarHBondContact O-CB 3.49Å; Q624-I628 WeakPolarHBondContact O-CD1 3.38Å; Q624-I628 VanDerWaalsContact O-CG1 3.22Å; Q624-I628 WeakPolarHBondContact O-CG1 3.47Å; Q624-I628 PolarHBondContact O-N 3.44Å; R625-I628 PolarHBondContact O-N 2.81Å; S626-I628 VanDerWaalsContact C-N 3.34Å; S626-I628 PolarHBondContact O-N 3.41Å; I628-Q631 PolarHBondContact O-N 2.99Å; I628-L632 HydrophobicContact CG2-CD1 3.88Å; I628-L632 HydrophobicContact CG2-CG 4.33Å; I628-L632 WeakPolarHBondContact O-CB 3.35Å; I628-L632 VanDerWaalsContact O-CG 3.24Å; I628-L632 WeakPolarHBondContact O-CG 3.47Å; I628-L632 PolarHBondContact O-N 3.29Å |
| 629 | V | 77 | Confident | 74.6 | Confident | 92 Ų | 92 | 95.8 Ų | 95.8 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 176.1 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | R625 S626 L632 S633 | R625-V629 WeakPolarHBondContact O-CB 3.5Å; R625-V629 VanDerWaalsContact O-CG2 3.28Å; R625-V629 WeakPolarHBondContact O-CG2 3.42Å; R625-V629 PolarHBondContact O-N 3.32Å; S626-V629 CarbonylContact O-C 3.56Å; S626-V629 PolarHBondContact O-N 3.3Å; S626-V629 VanDerWaalsContact O-N 3.16Å; V629-L632 PolarHBondContact O-N 3.16Å; V629-S633 VanDerWaalsContact O-CB 3.28Å; V629-S633 WeakPolarHBondContact O-CB 3.07Å; V629-S633 PolarHBondContact O-N 2.87Å; V629-S633 PolarHBondContact O-OG 3.47Å |
| 630 | D | 75 | Confident | 73.2 | Confident | 93 Ų | 93 | 93.3 Ų | 93.3 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 176.9 | -68.4 | -33.2 | 0 | 0 | 0 | 110.5 | S626 S627 S633 A634 | S626-D630 WeakPolarHBondContact O-CB 3.49Å; S626-D630 PolarHBondContact O-N 2.88Å; S626-D630 VanDerWaalsContact O-OD2 3.12Å; S626-D630 PolarHBondContact OG-OD2 2.68Å; S627-D630 PolarHBondContact O-N 2.77Å; D630-S633 PolarHBondContact O-N 3.03Å; D630-S633 PolarHBondContact O-OG 2.8Å; D630-A634 WeakPolarHBondContact O-CB 3.23Å; D630-A634 PolarHBondContact O-N 3.43Å |
| 631 | Q | 74.6 | Confident | 71.7 | Confident | 115 Ų | 115 | 93.4 Ų | 93.4 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 173.2 | -84.1 | 169.5 | -35.2 | 0 | 0 | 112.1 | S627 I628 S633 A634 D635 | S627-Q631 VanDerWaalsContact O-CB 3.32Å; S627-Q631 WeakPolarHBondContact O-CB 3.36Å; S627-Q631 WeakPolarHBondContact O-CG 3.32Å; S627-Q631 PolarHBondContact O-N 2.85Å; S627-Q631 PolarHBondContact O-OE1 2.94Å; I628-Q631 PolarHBondContact O-N 2.99Å; Q631-S633 VanDerWaalsContact C-N 3.29Å; Q631-S633 PolarHBondContact O-N 3.36Å; Q631-A634 PolarHBondContact O-N 3.48Å; Q631-D635 WeakPolarHBondContact O-CB 3.31Å; Q631-D635 VanDerWaalsContact O-CG 3.31Å; Q631-D635 PolarHBondContact O-N 3.43Å |
| 632 | L | 73.4 | Confident | 70.4 | Confident | 105 Ų | 105 | 94.2 Ų | 94.2 | 55% | 0.55 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -35.4 | 176.7 | -73.7 | 171.6 | 0 | 0 | 0 | 112 | I628 V629 M636 | I628-L632 HydrophobicContact CG2-CD1 3.88Å; I628-L632 HydrophobicContact CG2-CG 4.33Å; I628-L632 WeakPolarHBondContact O-CB 3.35Å; I628-L632 VanDerWaalsContact O-CG 3.24Å; I628-L632 WeakPolarHBondContact O-CG 3.47Å; I628-L632 PolarHBondContact O-N 3.29Å; V629-L632 PolarHBondContact O-N 3.16Å; L632-M636 VanDerWaalsContact O-CB 3.25Å; L632-M636 WeakPolarHBondContact O-CB 3.14Å; L632-M636 VanDerWaalsContact O-CG 3.3Å; L632-M636 WeakPolarHBondContact O-CG 3.39Å; L632-M636 PolarHBondContact O-N 3.32Å |
| 633 | S | 75.4 | Confident | 68.8 | Low | 62 Ų | 62 | 95.8 Ų | 95.8 | 43% | 0.434 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 175.7 | 80.4 | 0 | 0 | 0 | 0 | 111.6 | V629 D630 Q631 L637 | V629-S633 VanDerWaalsContact O-CB 3.28Å; V629-S633 WeakPolarHBondContact O-CB 3.07Å; V629-S633 PolarHBondContact O-N 2.87Å; V629-S633 PolarHBondContact O-OG 3.47Å; D630-S633 PolarHBondContact O-N 3.03Å; D630-S633 PolarHBondContact O-OG 2.8Å; Q631-S633 VanDerWaalsContact C-N 3.29Å; Q631-S633 PolarHBondContact O-N 3.36Å; S633-L637 PolarHBondContact O-N 2.85Å |
| 634 | A | 67.7 | Low | 67.3 | Low | 48 Ų | 48 | 96.2 Ų | 96.2 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D630 Q631 M636 L637 T638 | D630-A634 WeakPolarHBondContact O-CB 3.23Å; D630-A634 PolarHBondContact O-N 3.43Å; Q631-A634 PolarHBondContact O-N 3.48Å; A634-M636 PolarHBondContact O-N 2.96Å; A634-L637 WeakPolarHBondContact O-CB 3.31Å; A634-L637 PolarHBondContact O-N 3.36Å; A634-T638 WeakPolarHBondContact O-CB 3.5Å; A634-T638 PolarHBondContact O-N 2.89Å; A634-T638 PolarHBondContact O-OG1 3.33Å |
| 635 | D | 65.8 | Low | 65.7 | Low | 94 Ų | 94 | 98 Ų | 98 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 176.9 | -74.2 | -16.5 | 0 | 0 | 0 | 111.7 | Q631 T638 C639 | Q631-D635 WeakPolarHBondContact O-CB 3.31Å; Q631-D635 VanDerWaalsContact O-CG 3.31Å; Q631-D635 PolarHBondContact O-N 3.43Å; D635-T638 PolarHBondContact O-N 3.03Å; D635-C639 VanDerWaalsContact O-CB 3.3Å; D635-C639 WeakPolarHBondContact O-CB 3.42Å; D635-C639 PolarHBondContact O-N 2.95Å; D635-C639 PolarHBondContact O-SG 3.49Å; D635-C639 VanDerWaalsContact O-SG 3.35Å |
| 636 | M | 62.8 | Low | 64.1 | Low | 135 Ų | 135 | 94.2 Ų | 94.2 | 67% | 0.665 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.8 | -39.7 | 171.1 | -83.5 | -67.5 | -63.7 | 0 | 0 | 111.9 | L632 A634 T638 A640 | L632-M636 VanDerWaalsContact O-CB 3.25Å; L632-M636 WeakPolarHBondContact O-CB 3.14Å; L632-M636 VanDerWaalsContact O-CG 3.3Å; L632-M636 WeakPolarHBondContact O-CG 3.39Å; L632-M636 PolarHBondContact O-N 3.32Å; A634-M636 PolarHBondContact O-N 2.96Å; M636-T638 VanDerWaalsContact C-N 3.3Å; M636-A640 WeakPolarHBondContact O-CB 3.38Å; M636-A640 PolarHBondContact O-N 3.26Å |
| 637 | L | 65.4 | Low | 62.5 | Low | 119 Ų | 119 | 98.5 Ų | 98.5 | 62% | 0.623 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.6 | -39.4 | 173.1 | -122.7 | 96.5 | 0 | 0 | 0 | 111.3 | S633 A634 N641 | S633-L637 PolarHBondContact O-N 2.85Å; A634-L637 WeakPolarHBondContact O-CB 3.31Å; A634-L637 PolarHBondContact O-N 3.36Å; L637-N641 WeakPolarHBondContact O-CB 3.42Å; L637-N641 PolarHBondContact O-N 3.46Å |
| 638 | T | 62.6 | Low | 60.8 | Low | 70 Ų | 70 | 99.2 Ų | 99.2 | 43% | 0.429 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.2 | -46.4 | -179.1 | -46 | 0 | 0 | 0 | 0 | 110.6 | A634 D635 M636 A640 N641 E642 | A634-T638 WeakPolarHBondContact O-CB 3.5Å; A634-T638 PolarHBondContact O-N 2.89Å; A634-T638 PolarHBondContact O-OG1 3.33Å; D635-T638 PolarHBondContact O-N 3.03Å; M636-T638 VanDerWaalsContact C-N 3.3Å; T638-A640 PolarHBondContact O-N 2.71Å; T638-N641 PolarHBondContact O-N 2.92Å; T638-E642 PolarHBondContact O-N 3.36Å |
| 639 | C | 52.8 | Low | 59 | Low | 73 Ų | 73 | 102.3 Ų | 102.3 | 49% | 0.493 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.2 | -37.7 | 173.7 | -73.1 | 0 | 0 | 0 | 0 | 111.9 | D635 N641 E642 F643 | D635-C639 VanDerWaalsContact O-CB 3.3Å; D635-C639 WeakPolarHBondContact O-CB 3.42Å; D635-C639 PolarHBondContact O-N 2.95Å; D635-C639 PolarHBondContact O-SG 3.49Å; D635-C639 VanDerWaalsContact O-SG 3.35Å; C639-N641 VanDerWaalsContact C-N 3.34Å; C639-E642 PolarHBondContact O-N 2.96Å; C639-F643 WeakPolarHBondContact O-CB 3.35Å; C639-F643 PolarHBondContact O-N 3.17Å |
| 640 | A | 55.4 | Low | 57.3 | Low | 45 Ų | 45 | 102.3 Ų | 102.3 | 37% | 0.372 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.5 | -34.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M636 T638 K644 | M636-A640 WeakPolarHBondContact O-CB 3.38Å; M636-A640 PolarHBondContact O-N 3.26Å; T638-A640 PolarHBondContact O-N 2.71Å; A640-K644 WeakPolarHBondContact O-CG 3.47Å; A640-K644 PolarHBondContact O-N 2.9Å |
| 641 | N | 55.1 | Low | 55.8 | Low | 93 Ų | 93 | 104.9 Ų | 104.9 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.8 | -37.4 | 172.2 | -87.1 | -7.1 | 0 | 0 | 0 | 112.2 | L637 T638 C639 K644 L645 | L637-N641 WeakPolarHBondContact O-CB 3.42Å; L637-N641 PolarHBondContact O-N 3.46Å; T638-N641 PolarHBondContact O-N 2.92Å; C639-N641 VanDerWaalsContact C-N 3.34Å; N641-K644 PolarHBondContact O-N 3.46Å; N641-L645 PolarHBondContact O-N 2.93Å |
| 642 | E | 54 | Low | 54.1 | Low | 98 Ų | 98 | 106.8 Ų | 106.8 | 46% | 0.458 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.3 | -33.6 | 173.4 | -72 | -166.6 | 179.7 | 0 | 0 | 111.8 | T638 C639 K644 L645 T646 | T638-E642 PolarHBondContact O-N 3.36Å; C639-E642 PolarHBondContact O-N 2.96Å; E642-K644 PolarHBondContact O-N 3.43Å; E642-L645 PolarHBondContact O-N 3.23Å; E642-L645 VanDerWaalsContact O-N 3.14Å; E642-T646 PolarHBondContact O-N 3.13Å |
| 643 | F | 49.2 | Very low | 52.7 | Low | 155 Ų | 155 | 106 Ų | 106 | 68% | 0.68 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.4 | -35.5 | 173.2 | -134.5 | -89.2 | 0 | 0 | 0 | 112.1 | C639 L645 T646 E647 | C639-F643 WeakPolarHBondContact O-CB 3.35Å; C639-F643 PolarHBondContact O-N 3.17Å; F643-L645 VanDerWaalsContact C-N 3.27Å; F643-L645 PolarHBondContact O-N 2.87Å; F643-T646 WeakPolarHBondContact CA-OG1 3.5Å; F643-T646 PolarHBondContact O-N 3.07Å; F643-T646 VanDerWaalsContact O-N 3.11Å; F643-T646 PolarHBondContact O-OG1 3.44Å; F643-E647 PolarHBondContact O-N 3.42Å |
| 644 | K | 49.1 | Very low | 51.2 | Low | 145 Ų | 145 | 111.3 Ų | 111.3 | 63% | 0.63 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.6 | -24.1 | 171.6 | -78.6 | 171.6 | -179.5 | 172.8 | 0 | 113.4 | A640 N641 E642 T646 | A640-K644 WeakPolarHBondContact O-CG 3.47Å; A640-K644 PolarHBondContact O-N 2.9Å; N641-K644 PolarHBondContact O-N 3.46Å; E642-K644 PolarHBondContact O-N 3.43Å; K644-T646 VanDerWaalsContact C-N 3.32Å |
| 645 | L | 48.2 | Very low | 50.2 | Low | 142 Ų | 142 | 118 Ų | 118 | 74% | 0.743 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -79.3 | -15.8 | 171.7 | -74.1 | 170.4 | 0 | 0 | 0 | 112.9 | N641 E642 F643 | N641-L645 PolarHBondContact O-N 2.93Å; E642-L645 PolarHBondContact O-N 3.23Å; E642-L645 VanDerWaalsContact O-N 3.14Å; F643-L645 VanDerWaalsContact C-N 3.27Å; F643-L645 PolarHBondContact O-N 2.87Å |
| 646 | T | 45.6 | Very low | 49.2 | Very low | 89 Ų | 89 | 121.8 Ų | 121.8 | 55% | 0.546 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -93.8 | -19.2 | 174.2 | 49.2 | 0 | 0 | 0 | 0 | 114.6 | E642 F643 K644 G648 I649 | E642-T646 PolarHBondContact O-N 3.13Å; F643-T646 WeakPolarHBondContact CA-OG1 3.5Å; F643-T646 PolarHBondContact O-N 3.07Å; F643-T646 VanDerWaalsContact O-N 3.11Å; F643-T646 PolarHBondContact O-OG1 3.44Å; K644-T646 VanDerWaalsContact C-N 3.32Å; T646-G648 PolarHBondContact O-N 2.95Å; T646-I649 PolarHBondContact O-N 3.14Å |
| 647 | E | 44.1 | Very low | 48.5 | Very low | 148 Ų | 148 | 119.1 Ų | 119.1 | 69% | 0.692 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -73 | -10.2 | 177.6 | -144 | 170.5 | -165.9 | 0 | 0 | 113.2 | F643 | F643-E647 PolarHBondContact O-N 3.42Š|
| 648 | G | 44.8 | Very low | 48 | Very low | 71 Ų | 71 | 118.8 Ų | 118.8 | 73% | 0.732 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -81.6 | -1.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | T646 | T646-G648 PolarHBondContact O-N 2.95Š|
| 649 | I | 41.1 | Very low | 47.9 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 81% | 0.805 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -118.8 | 48.5 | 169.9 | -42.4 | 177.5 | 0 | 0 | 0 | 108.9 | T646 | T646-I649 PolarHBondContact O-N 3.14Š|
| 650 | S | 40.9 | Very low | 48.3 | Very low | 92 Ų | 92 | 124 Ų | 124 | 64% | 0.643 | 66% | 0.66 | S | S | * | * | trans | -116.2 | 62.5 | 170.2 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 651 | N | 44.4 | Very low | 48.6 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 78% | 0.781 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -140.5 | 100.6 | 159 | -83.2 | -28.6 | 0 | 0 | 0 | 107.6 | ||
| 652 | D | 39.5 | Very low | 49.1 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 83% | 0.834 | 67% | 0.667 | S | S | * | * | trans | 45.6 | 90.3 | 134 | -60.5 | -21.3 | 0 | 0 | 0 | 117.9 | ||||
| 653 | A | 42.6 | Very low | 49.7 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | -174.5 | 101.9 | 116.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 654 | E | 44.4 | Very low | 50.5 | Low | 172 Ų | 172 | 128.2 Ų | 128.2 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | 54.1 | 107.2 | 132.3 | -58.2 | -178.9 | 173.8 | 0 | 0 | 117.8 | Q656 | E654-Q656 PolarHBondContact O-N 2.84Š| ||
| 655 | Q | 47.3 | Very low | 51.4 | Low | 188 Ų | 188 | 125.7 Ų | 125.7 | 88% | 0.879 | 67% | 0.666 | S | S | * | * | trans | 76 | 19.9 | 143.4 | -60 | 170.2 | -1.2 | 0 | 0 | 118.2 | D657 | Q655-D657 VanDerWaalsContact C-N 3.26Å; Q655-D657 PolarHBondContact O-N 3.38Å | ||
| 656 | Q | 43.4 | Very low | 52.5 | Low | 175 Ų | 175 | 122.3 Ų | 122.3 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -73.4 | 89.3 | 155.7 | -158.3 | 102 | 2.7 | 0 | 0 | 108.4 | E654 V658 | E654-Q656 PolarHBondContact O-N 2.84Å; Q656-V658 PolarHBondContact O-N 3.24Å |
| 657 | D | 48.3 | Very low | 53.7 | Low | 79 Ų | 79 | 119.7 Ų | 119.7 | 42% | 0.422 | 64% | 0.638 | S | S | . | * | trans | -21.9 | 109.8 | -177.3 | -163.4 | 0.1 | 0 | 0 | 0 | 113.5 | Q655 R659 V660 S661 | Q655-D657 VanDerWaalsContact C-N 3.26Å; Q655-D657 PolarHBondContact O-N 3.38Å; D657-R659 PolarHBondContact O-N 3.43Å; D657-R659 WeakPolarHBondContact OD1-CB 3.43Å; D657-R659 WeakPolarHBondContact OD1-CG 3.26Å; D657-R659 PolarHBondContact OD1-N 2.86Å; D657-R659 IonicContact OD1-NE 2.79Å; D657-V660 HydrophobicContact CB-CG2 4.06Å; D657-V660 WeakPolarHBondContact O-CA 3.5Å; D657-V660 WeakPolarHBondContact O-CB 3.19Å; D657-V660 PolarHBondContact O-N 2.89Å; D657-S661 PolarHBondContact O-N 3.46Å | ||
| 658 | V | 56 | Low | 54.9 | Low | 111 Ų | 111 | 118.1 Ų | 118.1 | 67% | 0.673 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -53 | -23 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | Q656 S661 F662 | Q656-V658 PolarHBondContact O-N 3.24Å; V658-S661 WeakPolarHBondContact CA-OG 3.25Å; V658-S661 PolarHBondContact O-OG 2.92Å; V658-F662 WeakPolarHBondContact O-CB 3.47Å; V658-F662 PolarHBondContact O-N 3.4Å |
| 659 | R | 59.8 | Low | 56 | Low | 182 Ų | 182 | 120.8 Ų | 120.8 | 69% | 0.687 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.4 | -37 | 171.1 | -63.1 | -177.3 | -133.2 | -134 | 0 | 113.1 | D657 W663 | D657-R659 PolarHBondContact O-N 3.43Å; D657-R659 WeakPolarHBondContact OD1-CB 3.43Å; D657-R659 WeakPolarHBondContact OD1-CG 3.26Å; D657-R659 PolarHBondContact OD1-N 2.86Å; D657-R659 IonicContact OD1-NE 2.79Å; R659-W663 WeakPolarHBondContact O-CB 3.35Å; R659-W663 VanDerWaalsContact O-CD1 3.3Å; R659-W663 PolarHBondContact O-N 3.26Å |
| 660 | V | 62.2 | Low | 57.4 | Low | 71 Ų | 71 | 120.4 Ų | 120.4 | 43% | 0.43 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.5 | -43.1 | 179.2 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | D657 W663 N664 | D657-V660 HydrophobicContact CB-CG2 4.06Å; D657-V660 WeakPolarHBondContact O-CA 3.5Å; D657-V660 WeakPolarHBondContact O-CB 3.19Å; D657-V660 PolarHBondContact O-N 2.89Å; V660-W663 PolarHBondContact O-N 2.93Å; V660-N664 VanDerWaalsContact O-CB 3.23Å; V660-N664 WeakPolarHBondContact O-CB 3.5Å; V660-N664 PolarHBondContact O-N 3.06Å; V660-N664 PolarHBondContact O-ND2 3Å; V660-N664 PolarHBondContact O-OD1 2.77Å |
| 661 | S | 61.7 | Low | 58.7 | Low | 68 Ų | 68 | 118.6 Ų | 118.6 | 48% | 0.476 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.4 | -36.5 | 174.7 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | D657 V658 N664 L665 | D657-S661 PolarHBondContact O-N 3.46Å; V658-S661 WeakPolarHBondContact CA-OG 3.25Å; V658-S661 PolarHBondContact O-OG 2.92Å; S661-N664 PolarHBondContact O-N 3.03Å; S661-L665 WeakPolarHBondContact O-CB 3.28Å; S661-L665 PolarHBondContact O-N 2.87Å |
| 662 | F | 64.3 | Low | 59.8 | Low | 125 Ų | 125 | 116.1 Ų | 116.1 | 55% | 0.548 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.2 | -39.3 | 172.8 | -161 | -100.3 | 0 | 0 | 0 | 112.3 | V658 N664 L665 I666 | V658-F662 WeakPolarHBondContact O-CB 3.47Å; V658-F662 PolarHBondContact O-N 3.4Å; F662-N664 VanDerWaalsContact C-N 3.34Å; F662-L665 PolarHBondContact O-N 3.3Å; F662-I666 HydrophobicContact CD1-CD1 3.56Å; F662-I666 HydrophobicContact CD1-CG1 4.22Å; F662-I666 HydrophobicContact CE1-CD1 3.41Å; F662-I666 VanDerWaalsContact CE1-CD1 3.41Å; F662-I666 HydrophobicContact CE1-CG1 4.17Å; F662-I666 HydrophobicContact CZ-CD1 4.35Å; F662-I666 WeakPolarHBondContact O-CB 3.42Å; F662-I666 WeakPolarHBondContact O-CG1 3.31Å; F662-I666 PolarHBondContact O-N 3.4Å |
| 663 | W | 67.3 | Low | 60.8 | Low | 181 Ų | 181 | 115 Ų | 115 | 69% | 0.686 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.9 | -32.8 | 171.8 | -97.2 | 93.9 | 0 | 0 | 0 | 112.4 | R659 V660 G667 | R659-W663 WeakPolarHBondContact O-CB 3.35Å; R659-W663 VanDerWaalsContact O-CD1 3.3Å; R659-W663 PolarHBondContact O-N 3.26Å; V660-W663 PolarHBondContact O-N 2.93Å; W663-G667 WeakPolarHBondContact O-CA 3.48Å; W663-G667 PolarHBondContact O-N 2.82Å |
| 664 | N | 64.7 | Low | 61.9 | Low | 106 Ų | 106 | 113.7 Ų | 113.7 | 57% | 0.567 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71 | -38.1 | 173.4 | -72.3 | -14.8 | 0 | 0 | 0 | 110.7 | V660 S661 F662 G667 H668 | V660-N664 VanDerWaalsContact O-CB 3.23Å; V660-N664 WeakPolarHBondContact O-CB 3.5Å; V660-N664 PolarHBondContact O-N 3.06Å; V660-N664 PolarHBondContact O-ND2 3Å; V660-N664 PolarHBondContact O-OD1 2.77Å; S661-N664 PolarHBondContact O-N 3.03Å; F662-N664 VanDerWaalsContact C-N 3.34Å; N664-G667 CarbonylContact O-C 3.59Å; N664-G667 PolarHBondContact O-N 3.22Å; N664-H668 VanDerWaalsContact O-CB 3.25Å; N664-H668 WeakPolarHBondContact O-CB 3.15Å; N664-H668 PolarHBondContact O-N 3.42Å |
| 665 | L | 68.5 | Low | 62.8 | Low | 91 Ų | 91 | 109.9 Ų | 109.9 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.2 | -43.3 | 175.2 | -170.3 | 66.2 | 0 | 0 | 0 | 111.4 | S661 F662 G667 H668 F669 | S661-L665 WeakPolarHBondContact O-CB 3.28Å; S661-L665 PolarHBondContact O-N 2.87Å; F662-L665 PolarHBondContact O-N 3.3Å; L665-G667 VanDerWaalsContact C-N 3.29Å; L665-G667 PolarHBondContact O-N 2.94Å; L665-H668 PolarHBondContact O-N 2.85Å; L665-F669 HydrophobicContact CD1-CD2 4.11Å; L665-F669 HydrophobicContact CD1-CE2 3.7Å; L665-F669 HydrophobicContact CD2-CE2 4.08Å; L665-F669 HydrophobicContact CG-CD2 3.81Å; L665-F669 HydrophobicContact CG-CE2 3.62Å; L665-F669 WeakPolarHBondContact O-CB 3.45Å; L665-F669 WeakPolarHBondContact O-CD2 3.47Å; L665-F669 PolarHBondContact O-N 3.44Å |
| 666 | I | 71.5 | Confident | 63.3 | Low | 72 Ų | 72 | 105.7 Ų | 105.7 | 37% | 0.369 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 169.2 | -72.5 | 175.1 | 0 | 0 | 0 | 109.9 | F662 H668 F669 K670 | F662-I666 HydrophobicContact CD1-CD1 3.56Å; F662-I666 HydrophobicContact CD1-CG1 4.22Å; F662-I666 HydrophobicContact CE1-CD1 3.41Å; F662-I666 VanDerWaalsContact CE1-CD1 3.41Å; F662-I666 HydrophobicContact CE1-CG1 4.17Å; F662-I666 HydrophobicContact CZ-CD1 4.35Å; F662-I666 WeakPolarHBondContact O-CB 3.42Å; F662-I666 WeakPolarHBondContact O-CG1 3.31Å; F662-I666 PolarHBondContact O-N 3.4Å; I666-H668 VanDerWaalsContact C-N 3.32Å; I666-H668 PolarHBondContact O-N 3.22Å; I666-F669 PolarHBondContact O-N 3.47Å; I666-K670 WeakPolarHBondContact O-CA 3.2Å; I666-K670 WeakPolarHBondContact O-CB 3.33Å; I666-K670 PolarHBondContact O-N 3.04Å |
| 667 | G | 70.5 | Confident | 64 | Low | 33 Ų | 33 | 100.3 Ų | 100.3 | 34% | 0.34 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | W663 N664 L665 K670 S671 | W663-G667 WeakPolarHBondContact O-CA 3.48Å; W663-G667 PolarHBondContact O-N 2.82Å; N664-G667 CarbonylContact O-C 3.59Å; N664-G667 PolarHBondContact O-N 3.22Å; L665-G667 VanDerWaalsContact C-N 3.29Å; L665-G667 PolarHBondContact O-N 2.94Å; G667-K670 PolarHBondContact O-N 2.88Å; G667-S671 WeakPolarHBondContact O-CB 3.44Å; G667-S671 PolarHBondContact O-N 3.41Å |
| 668 | H | 69.5 | Low | 64.3 | Low | 115 Ų | 115 | 99.4 Ų | 99.4 | 53% | 0.532 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -75.8 | -37.3 | 177.2 | -155.5 | -94.2 | 0 | 0 | 0 | 111.7 | N664 L665 I666 K670 K672 | N664-H668 VanDerWaalsContact O-CB 3.25Å; N664-H668 WeakPolarHBondContact O-CB 3.15Å; N664-H668 PolarHBondContact O-N 3.42Å; L665-H668 PolarHBondContact O-N 2.85Å; I666-H668 VanDerWaalsContact C-N 3.32Å; I666-H668 PolarHBondContact O-N 3.22Å; H668-K670 VanDerWaalsContact C-N 3.34Å; H668-K672 WeakPolarHBondContact O-CA 3.22Å; H668-K672 WeakPolarHBondContact O-CB 3.46Å; H668-K672 PolarHBondContact O-N 3.45Å |
| 669 | F | 69 | Low | 64.5 | Low | 128 Ų | 128 | 98.5 Ų | 98.5 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.7 | -32.4 | 169.7 | -81.6 | -62.6 | 0 | 0 | 0 | 112 | L665 I666 M673 | L665-F669 HydrophobicContact CD1-CD2 4.11Å; L665-F669 HydrophobicContact CD1-CE2 3.7Å; L665-F669 HydrophobicContact CD2-CE2 4.08Å; L665-F669 HydrophobicContact CG-CD2 3.81Å; L665-F669 HydrophobicContact CG-CE2 3.62Å; L665-F669 WeakPolarHBondContact O-CB 3.45Å; L665-F669 WeakPolarHBondContact O-CD2 3.47Å; L665-F669 PolarHBondContact O-N 3.44Å; I666-F669 PolarHBondContact O-N 3.47Å; F669-M673 WeakPolarHBondContact O-CA 3.33Å; F669-M673 WeakPolarHBondContact O-CB 3.48Å; F669-M673 VanDerWaalsContact O-CG 3.25Å; F669-M673 WeakPolarHBondContact O-CG 3.4Å; F669-M673 PolarHBondContact O-N 3.49Å |
| 670 | K | 69.5 | Low | 64 | Low | 149 Ų | 149 | 94 Ų | 94 | 65% | 0.648 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -76.6 | -33.9 | 176.4 | -164.6 | 177.8 | -172.7 | -176 | 0 | 111 | I666 G667 H668 S674 | I666-K670 WeakPolarHBondContact O-CA 3.2Å; I666-K670 WeakPolarHBondContact O-CB 3.33Å; I666-K670 PolarHBondContact O-N 3.04Å; G667-K670 PolarHBondContact O-N 2.88Å; H668-K670 VanDerWaalsContact C-N 3.34Å; K670-S674 WeakPolarHBondContact O-CA 3.41Å; K670-S674 WeakPolarHBondContact O-CB 3.43Å; K670-S674 PolarHBondContact O-N 2.9Å; K670-S674 PolarHBondContact O-OG 3.48Å |
| 671 | S | 68.6 | Low | 63.4 | Low | 54 Ų | 54 | 94.8 Ų | 94.8 | 38% | 0.378 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.7 | -51.1 | 169.3 | -169.5 | 0 | 0 | 0 | 0 | 110 | G667 M673 S674 D675 | G667-S671 WeakPolarHBondContact O-CB 3.44Å; G667-S671 PolarHBondContact O-N 3.41Å; S671-M673 VanDerWaalsContact C-N 3.34Å; S671-M673 PolarHBondContact O-N 3.19Å; S671-S674 WeakPolarHBondContact CA-OG 3.46Å; S671-S674 CarbonylContact O-C 3.55Å; S671-S674 WeakPolarHBondContact O-CA 3.39Å; S671-S674 PolarHBondContact O-N 3.17Å; S671-S674 PolarHBondContact O-OG 2.85Å; S671-D675 VanDerWaalsContact O-CB 3.28Å; S671-D675 WeakPolarHBondContact O-CB 3.29Å; S671-D675 PolarHBondContact O-N 3.46Å; S671-D675 VanDerWaalsContact O-OD2 3.12Å; S671-D675 PolarHBondContact OG-OD2 3.47Å |
| 672 | K | 66.7 | Low | 62.8 | Low | 93 Ų | 93 | 97.4 Ų | 97.4 | 40% | 0.404 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.9 | -35.2 | 179.3 | -160.2 | 162.7 | -173.3 | 176.8 | 0 | 111.5 | H668 D675 L676 | H668-K672 WeakPolarHBondContact O-CA 3.22Å; H668-K672 WeakPolarHBondContact O-CB 3.46Å; H668-K672 PolarHBondContact O-N 3.45Å; K672-D675 PolarHBondContact O-N 2.96Å; K672-L676 HydrophobicContact CG-CD1 4.09Å; K672-L676 VanDerWaalsContact O-CB 3.26Å; K672-L676 WeakPolarHBondContact O-CB 3.48Å; K672-L676 WeakPolarHBondContact O-CD1 3.41Å; K672-L676 PolarHBondContact O-N 3.38Å |
| 673 | M | 61.9 | Low | 62.3 | Low | 133 Ų | 133 | 98.4 Ų | 98.4 | 66% | 0.655 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.8 | -35.7 | 166.5 | -81 | -122.3 | -72 | 0 | 0 | 111.7 | F669 S671 D675 T677 | F669-M673 WeakPolarHBondContact O-CA 3.33Å; F669-M673 WeakPolarHBondContact O-CB 3.48Å; F669-M673 VanDerWaalsContact O-CG 3.25Å; F669-M673 WeakPolarHBondContact O-CG 3.4Å; F669-M673 PolarHBondContact O-N 3.49Å; S671-M673 VanDerWaalsContact C-N 3.34Å; S671-M673 PolarHBondContact O-N 3.19Å; M673-D675 VanDerWaalsContact C-N 3.3Å; M673-T677 WeakPolarHBondContact O-CA 3.26Å; M673-T677 WeakPolarHBondContact O-CB 3.36Å; M673-T677 PolarHBondContact O-N 3.33Å; M673-T677 PolarHBondContact O-OG1 2.93Å |
| 674 | S | 64.2 | Low | 61.8 | Low | 62 Ų | 62 | 94.9 Ų | 94.9 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71 | -29.2 | 174.1 | 74.3 | 0 | 0 | 0 | 0 | 112.1 | K670 S671 T677 A678 | K670-S674 WeakPolarHBondContact O-CA 3.41Å; K670-S674 WeakPolarHBondContact O-CB 3.43Å; K670-S674 PolarHBondContact O-N 2.9Å; K670-S674 PolarHBondContact O-OG 3.48Å; S671-S674 WeakPolarHBondContact CA-OG 3.46Å; S671-S674 CarbonylContact O-C 3.55Å; S671-S674 WeakPolarHBondContact O-CA 3.39Å; S671-S674 PolarHBondContact O-N 3.17Å; S671-S674 PolarHBondContact O-OG 2.85Å; S674-T677 CarbonylContact O-C 3.53Å; S674-A678 WeakPolarHBondContact O-CA 3.5Å; S674-A678 WeakPolarHBondContact O-CB 3.11Å; S674-A678 PolarHBondContact O-N 2.84Å |
| 675 | D | 63.4 | Low | 61.1 | Low | 92 Ų | 92 | 96.3 Ų | 96.3 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -81.3 | -37.3 | 178.8 | -63.7 | -23.2 | 0 | 0 | 0 | 110 | S671 K672 M673 A678 S679 | S671-D675 VanDerWaalsContact O-CB 3.28Å; S671-D675 WeakPolarHBondContact O-CB 3.29Å; S671-D675 PolarHBondContact O-N 3.46Å; S671-D675 VanDerWaalsContact O-OD2 3.12Å; S671-D675 PolarHBondContact OG-OD2 3.47Å; K672-D675 PolarHBondContact O-N 2.96Å; M673-D675 VanDerWaalsContact C-N 3.3Å; D675-A678 CarbonylContact O-C 3.56Å; D675-A678 PolarHBondContact O-N 2.96Å; D675-S679 WeakPolarHBondContact O-CA 3.11Å; D675-S679 WeakPolarHBondContact O-CB 3.46Å; D675-S679 PolarHBondContact O-N 2.83Å |
| 676 | L | 57.6 | Low | 60.5 | Low | 100 Ų | 100 | 96.5 Ų | 96.5 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74 | -31.2 | 167.7 | -95.7 | 129.1 | 0 | 0 | 0 | 112 | K672 S679 C680 | K672-L676 HydrophobicContact CG-CD1 4.09Å; K672-L676 VanDerWaalsContact O-CB 3.26Å; K672-L676 WeakPolarHBondContact O-CB 3.48Å; K672-L676 WeakPolarHBondContact O-CD1 3.41Å; K672-L676 PolarHBondContact O-N 3.38Å; L676-S679 CarbonylContact O-C 3.58Å; L676-S679 PolarHBondContact O-N 3.15Å; L676-C680 VanDerWaalsContact O-CA 3.28Å; L676-C680 WeakPolarHBondContact O-CA 3.19Å; L676-C680 WeakPolarHBondContact O-CB 3.42Å; L676-C680 PolarHBondContact O-N 3.36Å |
| 677 | T | 58.7 | Low | 59.9 | Low | 61 Ų | 61 | 97.7 Ų | 97.7 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.8 | -28.7 | 172.3 | -60.1 | 0 | 0 | 0 | 0 | 110 | M673 S674 N681 | M673-T677 WeakPolarHBondContact O-CA 3.26Å; M673-T677 WeakPolarHBondContact O-CB 3.36Å; M673-T677 PolarHBondContact O-N 3.33Å; M673-T677 PolarHBondContact O-OG1 2.93Å; S674-T677 CarbonylContact O-C 3.53Å; T677-N681 WeakPolarHBondContact CG2-ND2 3.27Å; T677-N681 WeakPolarHBondContact O-CA 3.46Å; T677-N681 WeakPolarHBondContact O-CB 3.33Å; T677-N681 PolarHBondContact O-N 3.47Å; T677-N681 PolarHBondContact O-ND2 3Å |
| 678 | A | 55.2 | Low | 59.3 | Low | 61 Ų | 61 | 100.3 Ų | 100.3 | 50% | 0.504 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -75.6 | -35.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S674 D675 | S674-A678 WeakPolarHBondContact O-CA 3.5Å; S674-A678 WeakPolarHBondContact O-CB 3.11Å; S674-A678 PolarHBondContact O-N 2.84Å; D675-A678 CarbonylContact O-C 3.56Å; D675-A678 PolarHBondContact O-N 2.96Å |
| 679 | S | 59.2 | Low | 58.5 | Low | 92 Ų | 92 | 99.5 Ų | 99.5 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -81.5 | -24 | 178.2 | -178.3 | 0 | 0 | 0 | 0 | 113.2 | D675 L676 | D675-S679 WeakPolarHBondContact O-CA 3.11Å; D675-S679 WeakPolarHBondContact O-CB 3.46Å; D675-S679 PolarHBondContact O-N 2.83Å; L676-S679 CarbonylContact O-C 3.58Å; L676-S679 PolarHBondContact O-N 3.15Å |
| 680 | C | 50.2 | Low | 58.1 | Low | 86 Ų | 86 | 95.9 Ų | 95.9 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -125.4 | 3.6 | -176.6 | -64 | 0 | 0 | 0 | 0 | 113.9 | L676 L682 | L676-C680 VanDerWaalsContact O-CA 3.28Å; L676-C680 WeakPolarHBondContact O-CA 3.19Å; L676-C680 WeakPolarHBondContact O-CB 3.42Å; L676-C680 PolarHBondContact O-N 3.36Å; C680-L682 PolarHBondContact O-N 2.97Å |
| 681 | N | 48.4 | Very low | 57.5 | Low | 89 Ų | 89 | 96.9 Ų | 96.9 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | trans | -71.1 | 97.9 | 154.6 | -77.3 | -18.1 | 0 | 0 | 0 | 106.4 | T677 K683 D684 | T677-N681 WeakPolarHBondContact CG2-ND2 3.27Å; T677-N681 WeakPolarHBondContact O-CA 3.46Å; T677-N681 WeakPolarHBondContact O-CB 3.33Å; T677-N681 PolarHBondContact O-N 3.47Å; T677-N681 PolarHBondContact O-ND2 3Å; N681-K683 HydrophobicContact CB-CB 4.24Å; N681-K683 PolarHBondContact O-N 3.23Å; N681-D684 PolarHBondContact O-N 3.39Å | ||
| 682 | L | 50.2 | Low | 56.7 | Low | 122 Ų | 122 | 99 Ų | 99 | 64% | 0.639 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -18.7 | -8.2 | 137.4 | -152.3 | 121.6 | 0 | 0 | 0 | 116 | C680 D684 L686 | C680-L682 PolarHBondContact O-N 2.97Å; L682-D684 VanDerWaalsContact C-N 3.34Å; L682-L686 HydrophobicContact CD2-CB 4.44Å; L682-L686 VanDerWaalsContact O-CA 3.28Å; L682-L686 WeakPolarHBondContact O-CA 3.3Å; L682-L686 WeakPolarHBondContact O-CB 3.29Å; L682-L686 PolarHBondContact O-N 3.18Å |
| 683 | K | 53.7 | Low | 56.1 | Low | 147 Ų | 147 | 99.8 Ų | 99.8 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.4 | -23.8 | 164.1 | -156.3 | 157.6 | -169.7 | 170 | 0 | 113.6 | N681 L686 L687 | N681-K683 HydrophobicContact CB-CB 4.24Å; N681-K683 PolarHBondContact O-N 3.23Å; K683-L686 CarbonylContact O-C 3.6Å; K683-L687 HydrophobicContact CG-CD1 4.29Å; K683-L687 WeakPolarHBondContact O-CA 3.4Å; K683-L687 WeakPolarHBondContact O-CB 3.47Å; K683-L687 WeakPolarHBondContact O-CD1 3.41Å; K683-L687 VanDerWaalsContact O-CG 3.25Å; K683-L687 WeakPolarHBondContact O-CG 3.48Å; K683-L687 PolarHBondContact O-N 3.27Å |
| 684 | D | 56.5 | Low | 55.6 | Low | 106 Ų | 106 | 95.4 Ų | 95.4 | 57% | 0.567 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -87.1 | -31.6 | 171.7 | -80.1 | -0 | 0 | 0 | 0 | 112.1 | N681 L682 L687 E688 | N681-D684 PolarHBondContact O-N 3.39Å; L682-D684 VanDerWaalsContact C-N 3.34Å; D684-L687 PolarHBondContact O-N 2.94Å; D684-E688 WeakPolarHBondContact O-CB 3.22Å; D684-E688 PolarHBondContact O-N 3.5Å |
| 685 | H | 49.7 | Very low | 54.8 | Low | 137 Ų | 137 | 95.7 Ų | 95.7 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -77.6 | -25 | 165.8 | -71.7 | -48.7 | 0 | 0 | 0 | 113.1 | L689 | H685-L689 WeakPolarHBondContact O-CA 3.42Å; H685-L689 WeakPolarHBondContact O-CB 3.3Å; H685-L689 WeakPolarHBondContact O-CG 3.26Å; H685-L689 PolarHBondContact O-N 3.37Å |
| 686 | L | 55.7 | Low | 54 | Low | 95 Ų | 95 | 98.2 Ų | 98.2 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -84.8 | -21.8 | 168.8 | -164.7 | 83.5 | 0 | 0 | 0 | 110.4 | L682 K683 S690 | L682-L686 HydrophobicContact CD2-CB 4.44Å; L682-L686 VanDerWaalsContact O-CA 3.28Å; L682-L686 WeakPolarHBondContact O-CA 3.3Å; L682-L686 WeakPolarHBondContact O-CB 3.29Å; L682-L686 PolarHBondContact O-N 3.18Å; K683-L686 CarbonylContact O-C 3.6Å; L686-S690 VanDerWaalsContact O-CA 3.24Å; L686-S690 WeakPolarHBondContact O-CA 3.28Å; L686-S690 WeakPolarHBondContact O-CB 3.41Å; L686-S690 PolarHBondContact O-N 2.97Å; L686-S690 PolarHBondContact O-OG 3.49Å |
| 687 | L | 60.5 | Low | 53.3 | Low | 96 Ų | 96 | 100.5 Ų | 100.5 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -77.9 | -31.9 | 165.3 | -92.6 | 158.3 | 0 | 0 | 0 | 109.9 | K683 D684 S690 R691 | K683-L687 HydrophobicContact CG-CD1 4.29Å; K683-L687 WeakPolarHBondContact O-CA 3.4Å; K683-L687 WeakPolarHBondContact O-CB 3.47Å; K683-L687 WeakPolarHBondContact O-CD1 3.41Å; K683-L687 VanDerWaalsContact O-CG 3.25Å; K683-L687 WeakPolarHBondContact O-CG 3.48Å; K683-L687 PolarHBondContact O-N 3.27Å; D684-L687 PolarHBondContact O-N 2.94Å; L687-S690 CarbonylContact O-C 3.59Å; L687-R691 VanDerWaalsContact O-CA 3.29Å; L687-R691 WeakPolarHBondContact O-CA 3.41Å; L687-R691 WeakPolarHBondContact O-CB 3.36Å; L687-R691 PolarHBondContact O-N 3.04Å |
| 688 | E | 56.7 | Low | 52.5 | Low | 89 Ų | 89 | 104.7 Ų | 104.7 | 42% | 0.416 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -80.2 | -34.7 | 174.4 | -158.3 | 62.6 | -157.5 | 0 | 0 | 110.9 | D684 R691 L692 | D684-E688 WeakPolarHBondContact O-CB 3.22Å; D684-E688 PolarHBondContact O-N 3.5Å; E688-R691 CarbonylContact O-C 3.59Å; E688-R691 PolarHBondContact O-N 3.1Å; E688-L692 VanDerWaalsContact O-CB 3.27Å; E688-L692 WeakPolarHBondContact O-CB 3.46Å; E688-L692 VanDerWaalsContact O-CG 3.25Å; E688-L692 WeakPolarHBondContact O-CG 3.47Å; E688-L692 PolarHBondContact O-N 3.45Å |
| 689 | L | 52.4 | Low | 52 | Low | 98 Ų | 98 | 104.9 Ų | 104.9 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -74.7 | -30.6 | 167.5 | -71.2 | 171 | 0 | 0 | 0 | 111.7 | H685 R691 E693 | H685-L689 WeakPolarHBondContact O-CA 3.42Å; H685-L689 WeakPolarHBondContact O-CB 3.3Å; H685-L689 WeakPolarHBondContact O-CG 3.26Å; H685-L689 PolarHBondContact O-N 3.37Å; L689-R691 VanDerWaalsContact C-N 3.3Å; L689-E693 WeakPolarHBondContact O-CA 3.45Å; L689-E693 WeakPolarHBondContact O-CB 3.43Å; L689-E693 WeakPolarHBondContact O-CG 3.46Å; L689-E693 PolarHBondContact O-N 3.06Å |
| 690 | S | 60.9 | Low | 51.1 | Low | 51 Ų | 51 | 106.7 Ų | 106.7 | 36% | 0.357 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -80.5 | -11.5 | 167.2 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | L686 L687 A694 | L686-S690 VanDerWaalsContact O-CA 3.24Å; L686-S690 WeakPolarHBondContact O-CA 3.28Å; L686-S690 WeakPolarHBondContact O-CB 3.41Å; L686-S690 PolarHBondContact O-N 2.97Å; L686-S690 PolarHBondContact O-OG 3.49Å; L687-S690 CarbonylContact O-C 3.59Å; S690-A694 VanDerWaalsContact O-CA 3.24Å; S690-A694 WeakPolarHBondContact O-CA 3.36Å; S690-A694 WeakPolarHBondContact O-CB 3.23Å; S690-A694 PolarHBondContact O-N 3.19Å |
| 691 | R | 56 | Low | 50.6 | Low | 171 Ų | 171 | 109.4 Ų | 109.4 | 65% | 0.645 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -94.3 | -23.7 | 172.7 | -176.1 | -179.8 | -174 | 173.7 | 0.6 | 110.3 | L687 E688 L689 S695 | L687-R691 VanDerWaalsContact O-CA 3.29Å; L687-R691 WeakPolarHBondContact O-CA 3.41Å; L687-R691 WeakPolarHBondContact O-CB 3.36Å; L687-R691 PolarHBondContact O-N 3.04Å; E688-R691 CarbonylContact O-C 3.59Å; E688-R691 PolarHBondContact O-N 3.1Å; L689-R691 VanDerWaalsContact C-N 3.3Å; R691-S695 WeakPolarHBondContact O-CA 3.34Å; R691-S695 WeakPolarHBondContact O-CB 3.42Å; R691-S695 PolarHBondContact O-N 2.97Å; R691-S695 PolarHBondContact O-OG 2.97Å |
| 692 | L | 53.8 | Low | 50.3 | Low | 97 Ų | 97 | 108.4 Ų | 108.4 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -80.3 | -41.8 | 163.6 | -70.2 | 172.6 | 0 | 0 | 0 | 110.4 | E688 S695 E696 | E688-L692 VanDerWaalsContact O-CB 3.27Å; E688-L692 WeakPolarHBondContact O-CB 3.46Å; E688-L692 VanDerWaalsContact O-CG 3.25Å; E688-L692 WeakPolarHBondContact O-CG 3.47Å; E688-L692 PolarHBondContact O-N 3.45Å; L692-S695 WeakPolarHBondContact CA-OG 3.46Å; L692-S695 PolarHBondContact O-N 3.36Å; L692-S695 PolarHBondContact O-OG 3.32Å; L692-E696 WeakPolarHBondContact O-CB 3.48Å; L692-E696 PolarHBondContact O-N 3.26Å |
| 693 | E | 52.4 | Low | 50 | Low | 111 Ų | 111 | 106.9 Ų | 106.9 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -75.6 | -29 | 173 | -72.7 | -177.4 | 175.5 | 0 | 0 | 112.4 | L689 K697 | L689-E693 WeakPolarHBondContact O-CA 3.45Å; L689-E693 WeakPolarHBondContact O-CB 3.43Å; L689-E693 WeakPolarHBondContact O-CG 3.46Å; L689-E693 PolarHBondContact O-N 3.06Å; E693-K697 WeakPolarHBondContact O-CB 3.46Å; E693-K697 VanDerWaalsContact O-CG 3.29Å; E693-K697 WeakPolarHBondContact O-CG 3.43Å; E693-K697 PolarHBondContact O-N 3.03Å |
| 694 | A | 51.2 | Low | 49.4 | Very low | 40 Ų | 40 | 104.7 Ų | 104.7 | 33% | 0.331 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -85.2 | -16.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S690 F698 | S690-A694 VanDerWaalsContact O-CA 3.24Å; S690-A694 WeakPolarHBondContact O-CA 3.36Å; S690-A694 WeakPolarHBondContact O-CB 3.23Å; S690-A694 PolarHBondContact O-N 3.19Å; A694-F698 HydrophobicContact CB-CD2 4.26Å; A694-F698 WeakPolarHBondContact O-CB 3.47Å; A694-F698 WeakPolarHBondContact O-CD2 3.2Å; A694-F698 PolarHBondContact O-N 3.49Å |
| 695 | S | 48.9 | Very low | 48.6 | Very low | 69 Ų | 69 | 110.1 Ų | 110.1 | 48% | 0.483 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -80.6 | -23.8 | 163.9 | 72.4 | 0 | 0 | 0 | 0 | 111.8 | R691 L692 A699 | R691-S695 WeakPolarHBondContact O-CA 3.34Å; R691-S695 WeakPolarHBondContact O-CB 3.42Å; R691-S695 PolarHBondContact O-N 2.97Å; R691-S695 PolarHBondContact O-OG 2.97Å; L692-S695 WeakPolarHBondContact CA-OG 3.46Å; L692-S695 PolarHBondContact O-N 3.36Å; L692-S695 PolarHBondContact O-OG 3.32Å; S695-A699 PolarHBondContact O-N 2.83Å |
| 696 | E | 45.1 | Very low | 48.3 | Very low | 144 Ų | 144 | 108.1 Ų | 108.1 | 67% | 0.673 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -82.4 | -27 | 171.5 | -154.7 | 163.8 | -151.4 | 0 | 0 | 111.4 | L692 | L692-E696 WeakPolarHBondContact O-CB 3.48Å; L692-E696 PolarHBondContact O-N 3.26Å |
| 697 | K | 44.7 | Very low | 47.8 | Very low | 148 Ų | 148 | 109.3 Ų | 109.3 | 64% | 0.643 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -94.2 | -12.6 | 171.3 | -67.6 | 178.7 | -178.1 | 171.5 | 0 | 115.4 | E693 A699 D700 | E693-K697 WeakPolarHBondContact O-CB 3.46Å; E693-K697 VanDerWaalsContact O-CG 3.29Å; E693-K697 WeakPolarHBondContact O-CG 3.43Å; E693-K697 PolarHBondContact O-N 3.03Å; K697-A699 VanDerWaalsContact C-N 3.32Å; K697-D700 PolarHBondContact O-N 3.26Å |
| 698 | F | 41.7 | Very low | 47.2 | Very low | 149 Ų | 149 | 107 Ų | 107 | 65% | 0.654 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -85.5 | -4.4 | 161.9 | -87.2 | -81.2 | 0 | 0 | 0 | 113.5 | A694 S702 | A694-F698 HydrophobicContact CB-CD2 4.26Å; A694-F698 WeakPolarHBondContact O-CB 3.47Å; A694-F698 WeakPolarHBondContact O-CD2 3.2Å; A694-F698 PolarHBondContact O-N 3.49Å; F698-S702 PolarHBondContact O-OG 3.43Å |
| 699 | A | 43.1 | Very low | 46.9 | Very low | 65 Ų | 65 | 105.2 Ų | 105.2 | 54% | 0.537 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -78.8 | -19 | 159.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S695 K697 | S695-A699 PolarHBondContact O-N 2.83Å; K697-A699 VanDerWaalsContact C-N 3.32Å |
| 700 | D | 40.7 | Very low | 46.8 | Very low | 131 Ų | 131 | 106.4 Ų | 106.4 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -106.2 | -4.4 | -177.4 | -80.5 | -11.6 | 0 | 0 | 0 | 116.5 | K697 | K697-D700 PolarHBondContact O-N 3.26Å |
| 701 | E | 40.3 | Very low | 46.7 | Very low | 142 Ų | 142 | 110.5 Ų | 110.5 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -131.4 | 3.6 | 169.9 | -87.7 | -169.3 | 166.3 | 0 | 0 | 117.6 | S703 N704 | E701-S703 PolarHBondContact O-N 2.65Å; E701-N704 PolarHBondContact O-N 3.02Å |
| 702 | S | 42.8 | Very low | 46.9 | Very low | 68 Ų | 68 | 107.5 Ų | 107.5 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | -2.1 | 156.9 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | F698 N704 | F698-S702 PolarHBondContact O-OG 3.43Å; S702-N704 VanDerWaalsContact C-N 3.29Å |
| 703 | S | 44.1 | Very low | 47.2 | Very low | 90 Ų | 90 | 105.1 Ų | 105.1 | 63% | 0.629 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -12.1 | 158.2 | -149 | 0 | 0 | 0 | 0 | 113.4 | E701 | E701-S703 PolarHBondContact O-N 2.65Š|
| 704 | N | 41 | Very low | 47.9 | Very low | 102 Ų | 102 | 105.5 Ų | 105.5 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -110.3 | 3.9 | 176.7 | -151.2 | 28 | 0 | 0 | 0 | 115.5 | E701 S702 N707 | E701-N704 PolarHBondContact O-N 3.02Å; S702-N704 VanDerWaalsContact C-N 3.29Å; N704-N707 PolarHBondContact OD1-ND2 3.35Å |
| 705 | R | 39.1 | Very low | 48.9 | Very low | 220 Ų | 220 | 106.2 Ų | 106.2 | 83% | 0.83 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -96.6 | 1.9 | 153.7 | -91.8 | -173.1 | 174 | -179.1 | -0.5 | 114.1 | V708 | R705-V708 WeakPolarHBondContact O-CG2 3.2Š|
| 706 | N | 43.9 | Very low | 50.2 | Low | 94 Ų | 94 | 108.3 Ų | 108.3 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | trans | -106.4 | 20.3 | 167.3 | -74 | -7.5 | 0 | 0 | 0 | 113.4 | L713 | N706-L713 HydrophobicContact CB-CD1 4.23Å; N706-L713 WeakPolarHBondContact O-CD1 3.26Å | ||
| 707 | N | 43.9 | Very low | 51.4 | Low | 121 Ų | 121 | 106.6 Ų | 106.6 | 65% | 0.647 | 55% | 0.55 | S | S | * | * | trans | -89.6 | 31.8 | 145.8 | -73.8 | -30.1 | 0 | 0 | 0 | 110.5 | N704 S709 | N704-N707 PolarHBondContact OD1-ND2 3.35Å; N707-S709 PolarHBondContact O-N 2.9Å | ||
| 708 | V | 48.2 | Very low | 53 | Low | 47 Ų | 47 | 105.5 Ų | 105.5 | 29% | 0.285 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -50.1 | 106.3 | 132.8 | 167 | 0 | 0 | 0 | 0 | 103.6 | R705 E712 L713 | R705-V708 WeakPolarHBondContact O-CG2 3.2Å; V708-E712 WeakPolarHBondContact CA-OE2 3.38Å; V708-E712 HydrophobicContact CB-CB 4.47Å; V708-E712 HydrophobicContact CG1-CB 3.21Å; V708-E712 HydrophobicContact CG1-CG 4.21Å; V708-E712 WeakPolarHBondContact CG1-OE2 3.47Å; V708-L713 HydrophobicContact CG1-CG 4.26Å |
| 709 | S | 49.7 | Very low | 54.8 | Low | 52 Ų | 52 | 101.7 Ų | 101.7 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | trans | -44.8 | 147.1 | -161.9 | 62.8 | 0 | 0 | 0 | 0 | 110.7 | N707 E711 E712 L713 | N707-S709 PolarHBondContact O-N 2.9Å; S709-E711 CarbonylContact O-C 3.41Å; S709-E711 PolarHBondContact O-N 3.41Å; S709-E712 PolarHBondContact N-OE2 2.92Å; S709-E712 WeakPolarHBondContact O-CA 3.37Å; S709-E712 PolarHBondContact O-N 3.39Å; S709-E712 PolarHBondContact OG-N 2.99Å; S709-L713 PolarHBondContact O-N 2.89Å | ||
| 710 | M | 50.4 | Low | 56.4 | Low | 122 Ų | 122 | 102.7 Ų | 102.7 | 60% | 0.601 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -46.8 | -26.8 | 175.7 | -173.6 | 96 | -96.7 | 0 | 0 | 112 | K714 | M710-K714 HydrophobicContact CG-CD 4.39Å; M710-K714 WeakPolarHBondContact O-CB 3.41Å; M710-K714 WeakPolarHBondContact O-CG 3.35Å; M710-K714 PolarHBondContact O-N 3.48Å |
| 711 | E | 60.3 | Low | 58.4 | Low | 137 Ų | 137 | 101.9 Ų | 101.9 | 64% | 0.64 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.9 | -46.9 | 167.3 | -102.5 | 73.7 | -133.6 | 0 | 0 | 115 | S709 K714 A715 | S709-E711 CarbonylContact O-C 3.41Å; S709-E711 PolarHBondContact O-N 3.41Å; E711-K714 PolarHBondContact O-N 2.88Å; E711-A715 WeakPolarHBondContact O-CB 3.06Å; E711-A715 PolarHBondContact O-N 3.43Å |
| 712 | E | 59.5 | Low | 60.3 | Low | 108 Ų | 108 | 101.1 Ų | 101.1 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.2 | -36.4 | 176.4 | -75.6 | 174.7 | 144.2 | 0 | 0 | 112.3 | V708 S709 A715 Q716 | V708-E712 WeakPolarHBondContact CA-OE2 3.38Å; V708-E712 HydrophobicContact CB-CB 4.47Å; V708-E712 HydrophobicContact CG1-CB 3.21Å; V708-E712 HydrophobicContact CG1-CG 4.21Å; V708-E712 WeakPolarHBondContact CG1-OE2 3.47Å; S709-E712 PolarHBondContact N-OE2 2.92Å; S709-E712 WeakPolarHBondContact O-CA 3.37Å; S709-E712 PolarHBondContact O-N 3.39Å; S709-E712 PolarHBondContact OG-N 2.99Å; E712-A715 CarbonylContact O-C 3.52Å; E712-A715 PolarHBondContact O-N 3.27Å; E712-Q716 VanDerWaalsContact O-CB 3.31Å; E712-Q716 WeakPolarHBondContact O-CB 3.18Å; E712-Q716 PolarHBondContact O-N 3.44Å |
| 713 | L | 59.5 | Low | 62 | Low | 47 Ų | 47 | 102.6 Ų | 102.6 | 25% | 0.246 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -69.9 | -37.4 | 172.7 | -89.9 | 171.4 | 0 | 0 | 0 | 111.7 | N706 V708 S709 N717 | N706-L713 HydrophobicContact CB-CD1 4.23Å; N706-L713 WeakPolarHBondContact O-CD1 3.26Å; V708-L713 HydrophobicContact CG1-CG 4.26Å; S709-L713 PolarHBondContact O-N 2.89Å; L713-N717 VanDerWaalsContact O-CB 3.3Å; L713-N717 WeakPolarHBondContact O-CB 3.48Å; L713-N717 PolarHBondContact O-N 3.1Å |
| 714 | K | 67.9 | Low | 63.6 | Low | 119 Ų | 119 | 102.9 Ų | 102.9 | 52% | 0.517 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 169.2 | -81.5 | 174.3 | -178.4 | 172.8 | 0 | 111.2 | M710 E711 N717 Q718 | M710-K714 HydrophobicContact CG-CD 4.39Å; M710-K714 WeakPolarHBondContact O-CB 3.41Å; M710-K714 WeakPolarHBondContact O-CG 3.35Å; M710-K714 PolarHBondContact O-N 3.48Å; E711-K714 PolarHBondContact O-N 2.88Å; K714-N717 PolarHBondContact O-N 2.95Å; K714-Q718 WeakPolarHBondContact O-CB 3.36Å; K714-Q718 PolarHBondContact O-N 2.95Å |
| 715 | A | 72.8 | Confident | 65.6 | Low | 55 Ų | 55 | 104.2 Ų | 104.2 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.5 | -38.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E711 E712 S719 | E711-A715 WeakPolarHBondContact O-CB 3.06Å; E711-A715 PolarHBondContact O-N 3.43Å; E712-A715 CarbonylContact O-C 3.52Å; E712-A715 PolarHBondContact O-N 3.27Å; A715-S719 WeakPolarHBondContact O-CA 3.31Å; A715-S719 WeakPolarHBondContact O-CB 3.35Å; A715-S719 PolarHBondContact O-N 2.91Å |
| 716 | Q | 75.1 | Confident | 67.7 | Low | 114 Ų | 114 | 102.5 Ų | 102.5 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 171.6 | -86.1 | -174 | -19.6 | 0 | 0 | 111.2 | E712 S719 L720 | E712-Q716 VanDerWaalsContact O-CB 3.31Å; E712-Q716 WeakPolarHBondContact O-CB 3.18Å; E712-Q716 PolarHBondContact O-N 3.44Å; Q716-S719 PolarHBondContact O-N 3.43Å; Q716-L720 VanDerWaalsContact O-CB 3.23Å; Q716-L720 WeakPolarHBondContact O-CB 3.44Å; Q716-L720 VanDerWaalsContact O-CG 3.22Å; Q716-L720 WeakPolarHBondContact O-CG 3.3Å; Q716-L720 PolarHBondContact O-N 3.19Å |
| 717 | N | 70 | Confident | 69.5 | Low | 108 Ų | 108 | 101.7 Ų | 101.7 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.6 | -39.3 | 175.3 | -110.9 | -47.5 | 0 | 0 | 0 | 111.9 | L713 K714 L721 | L713-N717 VanDerWaalsContact O-CB 3.3Å; L713-N717 WeakPolarHBondContact O-CB 3.48Å; L713-N717 PolarHBondContact O-N 3.1Å; K714-N717 PolarHBondContact O-N 2.95Å; N717-L721 WeakPolarHBondContact O-CB 3.45Å; N717-L721 PolarHBondContact O-N 3.06Å |
| 718 | Q | 78 | Confident | 71.4 | Confident | 125 Ų | 125 | 101.2 Ų | 101.2 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.1 | -34.6 | 177.9 | -153.2 | 173.1 | 31.8 | 0 | 0 | 110.7 | K714 L721 M722 | K714-Q718 WeakPolarHBondContact O-CB 3.36Å; K714-Q718 PolarHBondContact O-N 2.95Å; Q718-L721 PolarHBondContact O-N 2.92Å; Q718-M722 HydrophobicContact CG-CE 4.24Å; Q718-M722 WeakPolarHBondContact O-CB 3.47Å; Q718-M722 VanDerWaalsContact O-CG 3.24Å; Q718-M722 WeakPolarHBondContact O-CG 3.49Å; Q718-M722 PolarHBondContact O-N 3.21Å |
| 719 | S | 80.2 | Confident | 72.9 | Confident | 69 Ų | 69 | 104 Ų | 104 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.6 | -47.3 | 171 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | A715 Q716 L721 M722 E723 | A715-S719 WeakPolarHBondContact O-CA 3.31Å; A715-S719 WeakPolarHBondContact O-CB 3.35Å; A715-S719 PolarHBondContact O-N 2.91Å; Q716-S719 PolarHBondContact O-N 3.43Å; S719-L721 VanDerWaalsContact C-N 3.29Å; S719-L721 PolarHBondContact O-N 3.45Å; S719-M722 CarbonylContact O-C 3.6Å; S719-M722 PolarHBondContact O-N 2.86Å; S719-E723 WeakPolarHBondContact O-CB 3.48Å; S719-E723 PolarHBondContact O-N 3.36Å |
| 720 | L | 76.4 | Confident | 74.5 | Confident | 85 Ų | 85 | 107 Ų | 107 | 45% | 0.445 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.3 | -33.1 | 175.4 | -75 | 172.1 | 0 | 0 | 0 | 111.2 | Q716 E723 N724 | Q716-L720 VanDerWaalsContact O-CB 3.23Å; Q716-L720 WeakPolarHBondContact O-CB 3.44Å; Q716-L720 VanDerWaalsContact O-CG 3.22Å; Q716-L720 WeakPolarHBondContact O-CG 3.3Å; Q716-L720 PolarHBondContact O-N 3.19Å; L720-E723 PolarHBondContact O-N 3.15Å; L720-N724 WeakPolarHBondContact O-CB 3.49Å; L720-N724 PolarHBondContact O-N 2.92Å; L720-N724 PolarHBondContact O-ND2 3.03Å |
| 721 | L | 83.4 | Confident | 75.9 | Confident | 115 Ų | 115 | 104 Ų | 104 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -73.7 | -38 | 175.7 | -164.9 | 142.3 | 0 | 0 | 0 | 111.4 | N717 Q718 S719 K725 | N717-L721 WeakPolarHBondContact O-CB 3.45Å; N717-L721 PolarHBondContact O-N 3.06Å; Q718-L721 PolarHBondContact O-N 2.92Å; S719-L721 VanDerWaalsContact C-N 3.29Å; S719-L721 PolarHBondContact O-N 3.45Å; L721-K725 VanDerWaalsContact O-CB 3.26Å; L721-K725 WeakPolarHBondContact O-CB 3.26Å; L721-K725 PolarHBondContact O-N 3.03Å |
| 722 | M | 79.4 | Confident | 77 | Confident | 125 Ų | 125 | 103.1 Ų | 103.1 | 62% | 0.616 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.4 | -37.6 | 169.9 | -73.5 | -168.2 | -159.8 | 0 | 0 | 112 | Q718 S719 K725 R726 | Q718-M722 HydrophobicContact CG-CE 4.24Å; Q718-M722 WeakPolarHBondContact O-CB 3.47Å; Q718-M722 VanDerWaalsContact O-CG 3.24Å; Q718-M722 WeakPolarHBondContact O-CG 3.49Å; Q718-M722 PolarHBondContact O-N 3.21Å; S719-M722 CarbonylContact O-C 3.6Å; S719-M722 PolarHBondContact O-N 2.86Å; M722-K725 PolarHBondContact O-N 3.46Å; M722-R726 VanDerWaalsContact O-CB 3.29Å; M722-R726 WeakPolarHBondContact O-CB 3.46Å; M722-R726 PolarHBondContact O-N 3.3Å |
| 723 | E | 78.8 | Confident | 78.1 | Confident | 99 Ų | 99 | 103.9 Ų | 103.9 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.3 | -45.3 | 176.4 | -176.6 | 170.3 | -166.3 | 0 | 0 | 110.9 | S719 L720 K725 R726 I727 | S719-E723 WeakPolarHBondContact O-CB 3.48Å; S719-E723 PolarHBondContact O-N 3.36Å; L720-E723 PolarHBondContact O-N 3.15Å; E723-K725 VanDerWaalsContact C-N 3.28Å; E723-K725 PolarHBondContact O-N 3.03Å; E723-R726 CarbonylContact O-C 3.57Å; E723-R726 WeakPolarHBondContact O-CB 3.2Å; E723-R726 PolarHBondContact O-N 2.81Å; E723-R726 VanDerWaalsContact O-N 3.12Å; E723-I727 HydrophobicContact CG-CD1 3.84Å; E723-I727 HydrophobicContact CG-CG1 4.4Å; E723-I727 WeakPolarHBondContact O-CB 3.35Å; E723-I727 VanDerWaalsContact O-CG1 3.23Å; E723-I727 WeakPolarHBondContact O-CG1 3.48Å; E723-I727 PolarHBondContact O-N 3.15Å |
| 724 | N | 78.7 | Confident | 79 | Confident | 97 Ų | 97 | 106.4 Ų | 106.4 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 173 | -77.3 | -33.8 | 0 | 0 | 0 | 111.4 | L720 L728 | L720-N724 WeakPolarHBondContact O-CB 3.49Å; L720-N724 PolarHBondContact O-N 2.92Å; L720-N724 PolarHBondContact O-ND2 3.03Å; N724-L728 VanDerWaalsContact O-CB 3.32Å; N724-L728 WeakPolarHBondContact O-CB 3.34Å; N724-L728 PolarHBondContact O-N 2.66Å |
| 725 | K | 82.3 | Confident | 79.6 | Confident | 130 Ų | 130 | 106.1 Ų | 106.1 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.2 | -40.1 | 174 | -166.9 | 179.3 | 178.5 | -174.8 | 0 | 111.8 | L721 M722 E723 L728 E729 | L721-K725 VanDerWaalsContact O-CB 3.26Å; L721-K725 WeakPolarHBondContact O-CB 3.26Å; L721-K725 PolarHBondContact O-N 3.03Å; M722-K725 PolarHBondContact O-N 3.46Å; E723-K725 VanDerWaalsContact C-N 3.28Å; E723-K725 PolarHBondContact O-N 3.03Å; K725-L728 WeakPolarHBondContact O-CB 3.31Å; K725-L728 PolarHBondContact O-N 3.26Å; K725-E729 WeakPolarHBondContact CE-OE1 3.35Å; K725-E729 WeakPolarHBondContact O-CB 3.35Å; K725-E729 WeakPolarHBondContact O-CG 3.48Å; K725-E729 PolarHBondContact O-N 2.87Å |
| 726 | R | 83 | Confident | 80 | Confident | 183 Ų | 183 | 106.2 Ų | 106.2 | 69% | 0.691 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.8 | -42 | 175.6 | -168.8 | -176.1 | -166.4 | -164.4 | 3.2 | 112 | M722 E723 L728 E729 E730 | M722-R726 VanDerWaalsContact O-CB 3.29Å; M722-R726 WeakPolarHBondContact O-CB 3.46Å; M722-R726 PolarHBondContact O-N 3.3Å; E723-R726 CarbonylContact O-C 3.57Å; E723-R726 WeakPolarHBondContact O-CB 3.2Å; E723-R726 PolarHBondContact O-N 2.81Å; E723-R726 VanDerWaalsContact O-N 3.12Å; R726-L728 VanDerWaalsContact C-N 3.35Å; R726-E729 PolarHBondContact O-N 3.42Å; R726-E730 VanDerWaalsContact O-CB 3.26Å; R726-E730 WeakPolarHBondContact O-CB 3.46Å; R726-E730 PolarHBondContact O-N 3.01Å |
| 727 | I | 82.1 | Confident | 80.5 | Confident | 78 Ų | 78 | 109.7 Ų | 109.7 | 40% | 0.4 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 174.5 | -67.8 | 167.2 | 0 | 0 | 0 | 109.5 | E723 E730 V731 | E723-I727 HydrophobicContact CG-CD1 3.84Å; E723-I727 HydrophobicContact CG-CG1 4.4Å; E723-I727 WeakPolarHBondContact O-CB 3.35Å; E723-I727 VanDerWaalsContact O-CG1 3.23Å; E723-I727 WeakPolarHBondContact O-CG1 3.48Å; E723-I727 PolarHBondContact O-N 3.15Å; I727-E730 PolarHBondContact O-N 3.33Å; I727-V731 HydrophobicContact CG2-CG2 4.2Å; I727-V731 VanDerWaalsContact O-CB 3.25Å; I727-V731 WeakPolarHBondContact O-CB 3.45Å; I727-V731 WeakPolarHBondContact O-CG2 3.39Å; I727-V731 PolarHBondContact O-N 2.88Å |
| 728 | L | 83.8 | Confident | 80.9 | Confident | 110 Ų | 110 | 109.5 Ų | 109.5 | 58% | 0.576 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.4 | -44.2 | 173.4 | -104.6 | 151.2 | 0 | 0 | 0 | 112.5 | N724 K725 R726 V731 Q732 | N724-L728 VanDerWaalsContact O-CB 3.32Å; N724-L728 WeakPolarHBondContact O-CB 3.34Å; N724-L728 PolarHBondContact O-N 2.66Å; K725-L728 WeakPolarHBondContact O-CB 3.31Å; K725-L728 PolarHBondContact O-N 3.26Å; R726-L728 VanDerWaalsContact C-N 3.35Å; L728-V731 PolarHBondContact O-N 3.45Å; L728-Q732 WeakPolarHBondContact O-CB 3.42Å; L728-Q732 PolarHBondContact O-N 2.83Å |
| 729 | E | 79.9 | Confident | 81 | Confident | 107 Ų | 107 | 109.7 Ų | 109.7 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 175.8 | -73.5 | 172.3 | -167.9 | 0 | 0 | 111.6 | K725 R726 Q732 L733 | K725-E729 WeakPolarHBondContact CE-OE1 3.35Å; K725-E729 WeakPolarHBondContact O-CB 3.35Å; K725-E729 WeakPolarHBondContact O-CG 3.48Å; K725-E729 PolarHBondContact O-N 2.87Å; R726-E729 PolarHBondContact O-N 3.42Å; E729-Q732 PolarHBondContact O-N 2.9Å; E729-L733 WeakPolarHBondContact O-CB 3.31Å; E729-L733 PolarHBondContact O-N 3.25Å |
| 730 | E | 82.1 | Confident | 80.9 | Confident | 113 Ų | 113 | 113.8 Ų | 113.8 | 53% | 0.528 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.6 | -39.9 | 175.1 | -173.5 | 167.5 | -167.1 | 0 | 0 | 111.7 | R726 I727 L733 L734 | R726-E730 VanDerWaalsContact O-CB 3.26Å; R726-E730 WeakPolarHBondContact O-CB 3.46Å; R726-E730 PolarHBondContact O-N 3.01Å; I727-E730 PolarHBondContact O-N 3.33Å; E730-L733 PolarHBondContact O-N 3.27Å; E730-L734 HydrophobicContact CG-CD1 4.27Å; E730-L734 VanDerWaalsContact O-CB 3.29Å; E730-L734 WeakPolarHBondContact O-CB 3.42Å; E730-L734 VanDerWaalsContact O-CG 3.26Å; E730-L734 WeakPolarHBondContact O-CG 3.37Å; E730-L734 PolarHBondContact O-N 3.35Å |
| 731 | V | 80.9 | Confident | 81 | Confident | 61 Ų | 61 | 112.4 Ų | 112.4 | 37% | 0.37 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 173.1 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | I727 L728 L734 Q735 | I727-V731 HydrophobicContact CG2-CG2 4.2Å; I727-V731 VanDerWaalsContact O-CB 3.25Å; I727-V731 WeakPolarHBondContact O-CB 3.45Å; I727-V731 WeakPolarHBondContact O-CG2 3.39Å; I727-V731 PolarHBondContact O-N 2.88Å; L728-V731 PolarHBondContact O-N 3.45Å; V731-L734 PolarHBondContact O-N 2.95Å; V731-Q735 HydrophobicContact CG1-CG 4.28Å; V731-Q735 VanDerWaalsContact O-CB 3.27Å; V731-Q735 WeakPolarHBondContact O-CB 3.42Å; V731-Q735 VanDerWaalsContact O-CG 3.24Å; V731-Q735 WeakPolarHBondContact O-CG 3.19Å; V731-Q735 PolarHBondContact O-N 3.46Å |
| 732 | Q | 82.8 | Confident | 80.7 | Confident | 118 Ų | 118 | 112.1 Ų | 112.1 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65 | -38.6 | 173.6 | -86.2 | -173.2 | -18.9 | 0 | 0 | 112.3 | L728 E729 S736 | L728-Q732 WeakPolarHBondContact O-CB 3.42Å; L728-Q732 PolarHBondContact O-N 2.83Å; E729-Q732 PolarHBondContact O-N 2.9Å; Q732-S736 VanDerWaalsContact O-CB 3.31Å; Q732-S736 WeakPolarHBondContact O-CB 3.44Å; Q732-S736 PolarHBondContact O-N 2.68Å; Q732-S736 PolarHBondContact O-OG 3.3Å |
| 733 | L | 83.9 | Confident | 80.7 | Confident | 124 Ų | 124 | 111.2 Ų | 111.2 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.9 | -41.8 | 175.1 | -163.1 | 92 | 0 | 0 | 0 | 111.1 | E729 E730 S736 R737 | E729-L733 WeakPolarHBondContact O-CB 3.31Å; E729-L733 PolarHBondContact O-N 3.25Å; E730-L733 PolarHBondContact O-N 3.27Å; L733-S736 PolarHBondContact O-N 3.29Å; L733-R737 WeakPolarHBondContact O-CB 3.39Å; L733-R737 PolarHBondContact O-N 3.04Å |
| 734 | L | 77.1 | Confident | 80.7 | Confident | 99 Ų | 99 | 109 Ų | 109 | 52% | 0.518 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 175.6 | -76.3 | 174.6 | 0 | 0 | 0 | 111.4 | E730 V731 R737 N738 | E730-L734 HydrophobicContact CG-CD1 4.27Å; E730-L734 VanDerWaalsContact O-CB 3.29Å; E730-L734 WeakPolarHBondContact O-CB 3.42Å; E730-L734 VanDerWaalsContact O-CG 3.26Å; E730-L734 WeakPolarHBondContact O-CG 3.37Å; E730-L734 PolarHBondContact O-N 3.35Å; V731-L734 PolarHBondContact O-N 2.95Å; L734-R737 CarbonylContact O-C 3.59Å; L734-R737 PolarHBondContact O-N 2.88Å; L734-N738 VanDerWaalsContact O-CB 3.29Å; L734-N738 WeakPolarHBondContact O-CB 3.03Å; L734-N738 PolarHBondContact O-N 3.46Å |
| 735 | Q | 81.7 | Confident | 80.6 | Confident | 113 Ų | 113 | 109 Ų | 109 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61 | -48.4 | 172.7 | -78.6 | 174.2 | -17.2 | 0 | 0 | 110.5 | V731 R737 N738 E739 | V731-Q735 HydrophobicContact CG1-CG 4.28Å; V731-Q735 VanDerWaalsContact O-CB 3.27Å; V731-Q735 WeakPolarHBondContact O-CB 3.42Å; V731-Q735 VanDerWaalsContact O-CG 3.24Å; V731-Q735 WeakPolarHBondContact O-CG 3.19Å; V731-Q735 PolarHBondContact O-N 3.46Å; Q735-R737 VanDerWaalsContact C-N 3.28Å; Q735-R737 PolarHBondContact O-N 2.9Å; Q735-N738 PolarHBondContact O-N 3.4Å; Q735-N738 VanDerWaalsContact O-N 3.17Å; Q735-E739 WeakPolarHBondContact O-CB 3.44Å; Q735-E739 WeakPolarHBondContact O-CG 3.4Å; Q735-E739 PolarHBondContact O-N 3.32Å |
| 736 | S | 81.2 | Confident | 80.4 | Confident | 58 Ų | 58 | 107.4 Ų | 107.4 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.4 | -34.2 | 175.2 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | Q732 L733 K740 | Q732-S736 VanDerWaalsContact O-CB 3.31Å; Q732-S736 WeakPolarHBondContact O-CB 3.44Å; Q732-S736 PolarHBondContact O-N 2.68Å; Q732-S736 PolarHBondContact O-OG 3.3Å; L733-S736 PolarHBondContact O-N 3.29Å; S736-K740 WeakPolarHBondContact O-CB 3.17Å; S736-K740 VanDerWaalsContact O-CG 3.24Å; S736-K740 WeakPolarHBondContact O-CG 3.42Å; S736-K740 PolarHBondContact O-N 3.23Å; S736-K740 VanDerWaalsContact O-N 3.11Å |
| 737 | R | 84.7 | Confident | 79.9 | Confident | 187 Ų | 187 | 101.9 Ų | 101.9 | 71% | 0.706 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -75.4 | -35.3 | 175.8 | -172.4 | 165.9 | -179.2 | 98.5 | -0.1 | 111.7 | L733 L734 Q735 S741 | L733-R737 WeakPolarHBondContact O-CB 3.39Å; L733-R737 PolarHBondContact O-N 3.04Å; L734-R737 CarbonylContact O-C 3.59Å; L734-R737 PolarHBondContact O-N 2.88Å; Q735-R737 VanDerWaalsContact C-N 3.28Å; Q735-R737 PolarHBondContact O-N 2.9Å; R737-S741 VanDerWaalsContact O-CB 3.24Å; R737-S741 WeakPolarHBondContact O-CB 3.38Å; R737-S741 PolarHBondContact O-N 3.29Å |
| 738 | N | 78.7 | Confident | 79.8 | Confident | 104 Ų | 104 | 101.7 Ų | 101.7 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.5 | -43.7 | 174.7 | -122.4 | 2.4 | 0 | 0 | 0 | 110.3 | L734 Q735 S741 Q742 | L734-N738 VanDerWaalsContact O-CB 3.29Å; L734-N738 WeakPolarHBondContact O-CB 3.03Å; L734-N738 PolarHBondContact O-N 3.46Å; Q735-N738 PolarHBondContact O-N 3.4Å; Q735-N738 VanDerWaalsContact O-N 3.17Å; N738-S741 CarbonylContact O-C 3.58Å; N738-S741 WeakPolarHBondContact O-CB 3.4Å; N738-S741 PolarHBondContact O-N 2.84Å; N738-Q742 VanDerWaalsContact O-CB 3.29Å; N738-Q742 WeakPolarHBondContact O-CB 3.29Å; N738-Q742 PolarHBondContact O-N 3.45Å |
| 739 | E | 79.1 | Confident | 79.4 | Confident | 129 Ų | 129 | 101.1 Ų | 101.1 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.5 | -47.2 | 173.7 | -77.3 | 178.1 | 167.7 | 0 | 0 | 111.2 | Q735 S741 Q742 D743 | Q735-E739 WeakPolarHBondContact O-CB 3.44Å; Q735-E739 WeakPolarHBondContact O-CG 3.4Å; Q735-E739 PolarHBondContact O-N 3.32Å; E739-S741 VanDerWaalsContact C-N 3.31Å; E739-S741 PolarHBondContact O-N 3.04Å; E739-Q742 CarbonylContact O-C 3.6Å; E739-Q742 WeakPolarHBondContact O-CB 3.42Å; E739-Q742 PolarHBondContact O-N 3.46Å; E739-Q742 VanDerWaalsContact O-N 3.15Å; E739-D743 WeakPolarHBondContact O-CB 3.33Å; E739-D743 PolarHBondContact O-N 3.2Å |
| 740 | K | 79.1 | Confident | 79.1 | Confident | 155 Ų | 155 | 97.6 Ų | 97.6 | 67% | 0.674 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.3 | -37.5 | 174.1 | -74.1 | 172.9 | -175.8 | 176.7 | 0 | 113.2 | S736 A744 | S736-K740 WeakPolarHBondContact O-CB 3.17Å; S736-K740 VanDerWaalsContact O-CG 3.24Å; S736-K740 WeakPolarHBondContact O-CG 3.42Å; S736-K740 PolarHBondContact O-N 3.23Å; S736-K740 VanDerWaalsContact O-N 3.11Å; K740-A744 WeakPolarHBondContact O-CB 3.47Å; K740-A744 PolarHBondContact O-N 2.82Å |
| 741 | S | 78.8 | Confident | 78.8 | Confident | 56 Ų | 56 | 95 Ų | 95 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 173.9 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | R737 N738 E739 A744 L745 | R737-S741 VanDerWaalsContact O-CB 3.24Å; R737-S741 WeakPolarHBondContact O-CB 3.38Å; R737-S741 PolarHBondContact O-N 3.29Å; N738-S741 CarbonylContact O-C 3.58Å; N738-S741 WeakPolarHBondContact O-CB 3.4Å; N738-S741 PolarHBondContact O-N 2.84Å; E739-S741 VanDerWaalsContact C-N 3.31Å; E739-S741 PolarHBondContact O-N 3.04Å; S741-A744 PolarHBondContact O-N 2.91Å; S741-L745 WeakPolarHBondContact O-CB 3.46Å; S741-L745 PolarHBondContact O-N 3.42Å |
| 742 | Q | 77.4 | Confident | 78.6 | Confident | 109 Ų | 109 | 96 Ų | 96 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 177.8 | -151.7 | 91.5 | 6.2 | 0 | 0 | 110.3 | N738 E739 L745 N746 | N738-Q742 VanDerWaalsContact O-CB 3.29Å; N738-Q742 WeakPolarHBondContact O-CB 3.29Å; N738-Q742 PolarHBondContact O-N 3.45Å; E739-Q742 CarbonylContact O-C 3.6Å; E739-Q742 WeakPolarHBondContact O-CB 3.42Å; E739-Q742 PolarHBondContact O-N 3.46Å; E739-Q742 VanDerWaalsContact O-N 3.15Å; Q742-L745 CarbonylContact O-C 3.57Å; Q742-L745 WeakPolarHBondContact O-CB 3.17Å; Q742-L745 PolarHBondContact O-N 3.4Å; Q742-N746 VanDerWaalsContact O-CB 3.28Å; Q742-N746 WeakPolarHBondContact O-CB 3.44Å; Q742-N746 PolarHBondContact O-N 3.45Å; Q742-N746 PolarHBondContact O-ND2 3.4Å; Q742-N746 VanDerWaalsContact O-ND2 3.16Å |
| 743 | D | 78.6 | Confident | 78.2 | Confident | 105 Ų | 105 | 93.2 Ų | 93.2 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.5 | -39.4 | 176.1 | -72.4 | -20.8 | 0 | 0 | 0 | 111.9 | E739 N746 A747 | E739-D743 WeakPolarHBondContact O-CB 3.33Å; E739-D743 PolarHBondContact O-N 3.2Å; D743-N746 PolarHBondContact O-N 2.96Å; D743-A747 VanDerWaalsContact O-CB 3.24Å; D743-A747 WeakPolarHBondContact O-CB 3.17Å; D743-A747 PolarHBondContact O-N 2.97Å |
| 744 | A | 78.2 | Confident | 77.7 | Confident | 54 Ų | 54 | 90.8 Ų | 90.8 | 45% | 0.446 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K740 S741 T748 | K740-A744 WeakPolarHBondContact O-CB 3.47Å; K740-A744 PolarHBondContact O-N 2.82Å; S741-A744 PolarHBondContact O-N 2.91Å; A744-T748 WeakPolarHBondContact O-CB 3.27Å; A744-T748 VanDerWaalsContact O-CG2 3.27Å; A744-T748 WeakPolarHBondContact O-CG2 3.43Å; A744-T748 PolarHBondContact O-N 2.88Å; A744-T748 PolarHBondContact O-OG1 2.87Å |
| 745 | L | 77.2 | Confident | 77.8 | Confident | 96 Ų | 96 | 92.1 Ų | 92.1 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 172.5 | -112.5 | 149.2 | 0 | 0 | 0 | 110.8 | S741 Q742 A747 T748 Q749 | S741-L745 WeakPolarHBondContact O-CB 3.46Å; S741-L745 PolarHBondContact O-N 3.42Å; Q742-L745 CarbonylContact O-C 3.57Å; Q742-L745 WeakPolarHBondContact O-CB 3.17Å; Q742-L745 PolarHBondContact O-N 3.4Å; L745-A747 PolarHBondContact O-N 2.81Å; L745-T748 WeakPolarHBondContact CA-OG1 3.4Å; L745-T748 PolarHBondContact O-N 2.91Å; L745-T748 PolarHBondContact O-OG1 2.81Å; L745-Q749 WeakPolarHBondContact O-CA 3.23Å; L745-Q749 WeakPolarHBondContact O-CB 3.45Å; L745-Q749 PolarHBondContact O-N 3.13Å |
| 746 | N | 78.1 | Confident | 77.3 | Confident | 96 Ų | 96 | 90.3 Ų | 90.3 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 178.3 | -69.6 | -24.1 | 0 | 0 | 0 | 111.9 | Q742 D743 G750 | Q742-N746 VanDerWaalsContact O-CB 3.28Å; Q742-N746 WeakPolarHBondContact O-CB 3.44Å; Q742-N746 PolarHBondContact O-N 3.45Å; Q742-N746 PolarHBondContact O-ND2 3.4Å; Q742-N746 VanDerWaalsContact O-ND2 3.16Å; D743-N746 PolarHBondContact O-N 2.96Å; N746-G750 PolarHBondContact O-N 3.45Å |
| 747 | A | 73.5 | Confident | 77 | Confident | 67 Ų | 67 | 93.2 Ų | 93.2 | 55% | 0.554 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.2 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D743 L745 G750 S751 | D743-A747 VanDerWaalsContact O-CB 3.24Å; D743-A747 WeakPolarHBondContact O-CB 3.17Å; D743-A747 PolarHBondContact O-N 2.97Å; L745-A747 PolarHBondContact O-N 2.81Å; A747-G750 PolarHBondContact O-N 3.43Å; A747-S751 WeakPolarHBondContact O-CB 3.24Å; A747-S751 PolarHBondContact O-N 2.86Å |
| 748 | T | 79.8 | Confident | 76.3 | Confident | 75 Ų | 75 | 88.8 Ų | 88.8 | 46% | 0.46 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.8 | -41.6 | 174.6 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | A744 L745 G750 S751 I752 | A744-T748 WeakPolarHBondContact O-CB 3.27Å; A744-T748 VanDerWaalsContact O-CG2 3.27Å; A744-T748 WeakPolarHBondContact O-CG2 3.43Å; A744-T748 PolarHBondContact O-N 2.88Å; A744-T748 PolarHBondContact O-OG1 2.87Å; L745-T748 WeakPolarHBondContact CA-OG1 3.4Å; L745-T748 PolarHBondContact O-N 2.91Å; L745-T748 PolarHBondContact O-OG1 2.81Å; T748-G750 VanDerWaalsContact C-N 3.34Å; T748-G750 PolarHBondContact O-N 3.35Å; T748-S751 PolarHBondContact O-N 3.18Å; T748-I752 WeakPolarHBondContact O-CB 3.26Å; T748-I752 WeakPolarHBondContact O-CD1 3.05Å; T748-I752 WeakPolarHBondContact O-CG1 3.49Å; T748-I752 PolarHBondContact O-N 3.4Å |
| 749 | Q | 73.8 | Confident | 76.1 | Confident | 97 Ų | 97 | 89.3 Ų | 89.3 | 45% | 0.453 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 171.9 | -166.5 | 79.9 | 2.5 | 0 | 0 | 110.6 | L745 S751 I752 D753 | L745-Q749 WeakPolarHBondContact O-CA 3.23Å; L745-Q749 WeakPolarHBondContact O-CB 3.45Å; L745-Q749 PolarHBondContact O-N 3.13Å; Q749-S751 PolarHBondContact O-N 3.43Å; Q749-I752 PolarHBondContact O-N 2.82Å; Q749-D753 WeakPolarHBondContact O-CB 3.46Å; Q749-D753 PolarHBondContact O-N 3.28Å |
| 750 | G | 74.8 | Confident | 75.8 | Confident | 33 Ų | 33 | 87 Ų | 87 | 34% | 0.34 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N746 A747 T748 E754 | N746-G750 PolarHBondContact O-N 3.45Å; A747-G750 PolarHBondContact O-N 3.43Å; T748-G750 VanDerWaalsContact C-N 3.34Å; T748-G750 PolarHBondContact O-N 3.35Å; G750-E754 VanDerWaalsContact O-CB 3.32Å; G750-E754 WeakPolarHBondContact O-CB 3.38Å; G750-E754 PolarHBondContact O-N 2.99Å |
| 751 | S | 76.3 | Confident | 75.5 | Confident | 59 Ų | 59 | 86.5 Ų | 86.5 | 41% | 0.413 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.9 | -39.8 | 175.1 | -172.8 | 0 | 0 | 0 | 0 | 112.5 | A747 T748 Q749 E754 K755 | A747-S751 WeakPolarHBondContact O-CB 3.24Å; A747-S751 PolarHBondContact O-N 2.86Å; T748-S751 PolarHBondContact O-N 3.18Å; Q749-S751 PolarHBondContact O-N 3.43Å; S751-E754 PolarHBondContact O-N 2.93Å; S751-K755 WeakPolarHBondContact O-CB 3.42Å; S751-K755 WeakPolarHBondContact O-CG 3.36Å; S751-K755 PolarHBondContact O-N 3.39Å |
| 752 | I | 75.8 | Confident | 74.8 | Confident | 83 Ų | 83 | 89.9 Ų | 89.9 | 43% | 0.426 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 175 | -69.7 | 163.8 | 0 | 0 | 0 | 109.4 | T748 Q749 E754 K755 I756 | T748-I752 WeakPolarHBondContact O-CB 3.26Å; T748-I752 WeakPolarHBondContact O-CD1 3.05Å; T748-I752 WeakPolarHBondContact O-CG1 3.49Å; T748-I752 PolarHBondContact O-N 3.4Å; Q749-I752 PolarHBondContact O-N 2.82Å; I752-E754 VanDerWaalsContact C-N 3.32Å; I752-E754 PolarHBondContact O-N 3.32Å; I752-K755 CarbonylContact O-C 3.59Å; I752-K755 WeakPolarHBondContact O-CB 3.37Å; I752-K755 PolarHBondContact O-N 2.97Å; I752-I756 HydrophobicContact CG2-CD1 3.65Å; I752-I756 HydrophobicContact CG2-CG1 4.31Å; I752-I756 WeakPolarHBondContact O-CB 3.32Å; I752-I756 VanDerWaalsContact O-CG1 3.23Å; I752-I756 WeakPolarHBondContact O-CG1 3.43Å; I752-I756 PolarHBondContact O-N 3.1Å |
| 753 | D | 75 | Confident | 74 | Confident | 59 Ų | 59 | 90 Ų | 90 | 32% | 0.316 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 176.5 | -76.8 | -14.8 | 0 | 0 | 0 | 111.6 | Q749 I756 R757 | Q749-D753 WeakPolarHBondContact O-CB 3.46Å; Q749-D753 PolarHBondContact O-N 3.28Å; D753-I756 PolarHBondContact O-N 2.93Å; D753-R757 VanDerWaalsContact O-CB 3.29Å; D753-R757 WeakPolarHBondContact O-CB 3.34Å; D753-R757 VanDerWaalsContact O-CG 3.23Å; D753-R757 WeakPolarHBondContact O-CG 3.34Å; D753-R757 PolarHBondContact O-N 3.3Å |
| 754 | E | 73.3 | Confident | 73 | Confident | 72 Ų | 72 | 91.9 Ų | 91.9 | 34% | 0.336 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.1 | -38 | 174.8 | -165.6 | 56.2 | -146.9 | 0 | 0 | 112.1 | G750 S751 I752 R757 Q758 R761 | G750-E754 VanDerWaalsContact O-CB 3.32Å; G750-E754 WeakPolarHBondContact O-CB 3.38Å; G750-E754 PolarHBondContact O-N 2.99Å; S751-E754 PolarHBondContact O-N 2.93Å; I752-E754 VanDerWaalsContact C-N 3.32Å; I752-E754 PolarHBondContact O-N 3.32Å; E754-R757 PolarHBondContact O-N 3Å; E754-R757 IonicContact OE2-CZ 3.37Å; E754-R757 IonicContact OE2-NE 2.9Å; E754-R757 PolarHBondContact OE2-NE 2.94Å; E754-R757 IonicContact OE2-NH2 2.92Å; E754-R757 PolarHBondContact OE2-NH2 3.1Å; E754-Q758 WeakPolarHBondContact O-CB 3.24Å; E754-Q758 WeakPolarHBondContact O-CG 3.25Å; E754-Q758 PolarHBondContact O-N 3.09Å; E754-R761 IonicContact OE1-NH2 2.94Å; E754-R761 PolarHBondContact OE1-NH2 2.93Å |
| 755 | K | 78.3 | Confident | 71.8 | Confident | 128 Ų | 128 | 95.1 Ų | 95.1 | 56% | 0.557 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.2 | -42.2 | 171 | -80.2 | 177 | 179.1 | 178.2 | 0 | 111.7 | S751 I752 Q758 Q759 | S751-K755 WeakPolarHBondContact O-CB 3.42Å; S751-K755 WeakPolarHBondContact O-CG 3.36Å; S751-K755 PolarHBondContact O-N 3.39Å; I752-K755 CarbonylContact O-C 3.59Å; I752-K755 WeakPolarHBondContact O-CB 3.37Å; I752-K755 PolarHBondContact O-N 2.97Å; K755-Q758 PolarHBondContact O-N 3.45Å; K755-Q759 WeakPolarHBondContact O-CB 3.29Å; K755-Q759 WeakPolarHBondContact O-CG 3.1Å; K755-Q759 PolarHBondContact O-N 2.77Å |
| 756 | I | 72.7 | Confident | 70.6 | Confident | 74 Ų | 74 | 93.6 Ų | 93.6 | 38% | 0.379 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 175.1 | -70.2 | 169 | 0 | 0 | 0 | 109.5 | I752 D753 Q758 Q759 I760 | I752-I756 HydrophobicContact CG2-CD1 3.65Å; I752-I756 HydrophobicContact CG2-CG1 4.31Å; I752-I756 WeakPolarHBondContact O-CB 3.32Å; I752-I756 VanDerWaalsContact O-CG1 3.23Å; I752-I756 WeakPolarHBondContact O-CG1 3.43Å; I752-I756 PolarHBondContact O-N 3.1Å; D753-I756 PolarHBondContact O-N 2.93Å; I756-Q758 VanDerWaalsContact C-N 3.33Å; I756-Q758 PolarHBondContact O-N 3.24Å; I756-Q759 PolarHBondContact O-N 3.5Å; I756-I760 HydrophobicContact CG2-CD1 3.65Å; I756-I760 HydrophobicContact CG2-CG1 4.31Å; I756-I760 VanDerWaalsContact O-CB 3.32Å; I756-I760 WeakPolarHBondContact O-CB 3.33Å; I756-I760 WeakPolarHBondContact O-CG1 2.96Å; I756-I760 PolarHBondContact O-N 3.45Å |
| 757 | R | 73.2 | Confident | 69 | Low | 120 Ų | 120 | 95.4 Ų | 95.4 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -34.8 | 174.5 | -77.4 | -173.4 | -68.8 | -95.5 | -0.6 | 112.7 | D753 E754 R761 | D753-R757 VanDerWaalsContact O-CB 3.29Å; D753-R757 WeakPolarHBondContact O-CB 3.34Å; D753-R757 VanDerWaalsContact O-CG 3.23Å; D753-R757 WeakPolarHBondContact O-CG 3.34Å; D753-R757 PolarHBondContact O-N 3.3Å; E754-R757 PolarHBondContact O-N 3Å; E754-R757 IonicContact OE2-CZ 3.37Å; E754-R757 IonicContact OE2-NE 2.9Å; E754-R757 PolarHBondContact OE2-NE 2.94Å; E754-R757 IonicContact OE2-NH2 2.92Å; E754-R757 PolarHBondContact OE2-NH2 3.1Å; R757-R761 WeakPolarHBondContact O-CG 3.4Å; R757-R761 PolarHBondContact O-N 2.83Å; R757-R761 PolarHBondContact O-NE 3.48Å |
| 758 | Q | 71.8 | Confident | 67.9 | Low | 94 Ų | 94 | 96.8 Ų | 96.8 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69 | -49.2 | 172.8 | -80.5 | -179.5 | -8.5 | 0 | 0 | 111.5 | E754 K755 I756 I760 R761 E762 | E754-Q758 WeakPolarHBondContact O-CB 3.24Å; E754-Q758 WeakPolarHBondContact O-CG 3.25Å; E754-Q758 PolarHBondContact O-N 3.09Å; K755-Q758 PolarHBondContact O-N 3.45Å; I756-Q758 VanDerWaalsContact C-N 3.33Å; I756-Q758 PolarHBondContact O-N 3.24Å; Q758-I760 VanDerWaalsContact C-N 3.27Å; Q758-I760 PolarHBondContact O-N 2.74Å; Q758-R761 CarbonylContact O-C 3.57Å; Q758-R761 WeakPolarHBondContact O-CA 3.37Å; Q758-R761 WeakPolarHBondContact O-CB 3.43Å; Q758-R761 PolarHBondContact O-N 2.88Å; Q758-E762 WeakPolarHBondContact O-CG 3.36Å; Q758-E762 PolarHBondContact O-N 3.02Å |
| 759 | Q | 74.6 | Confident | 66.2 | Low | 115 Ų | 115 | 100.1 Ų | 100.1 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -36.3 | 175.4 | -77.7 | 177 | -24 | 0 | 0 | 111.9 | K755 I756 E762 L763 | K755-Q759 WeakPolarHBondContact O-CB 3.29Å; K755-Q759 WeakPolarHBondContact O-CG 3.1Å; K755-Q759 PolarHBondContact O-N 2.77Å; I756-Q759 PolarHBondContact O-N 3.5Å; Q759-E762 PolarHBondContact O-N 3.42Å; Q759-L763 WeakPolarHBondContact O-CB 3.25Å; Q759-L763 WeakPolarHBondContact O-CG 3.36Å; Q759-L763 PolarHBondContact O-N 3.22Å |
| 760 | I | 72.5 | Confident | 64.8 | Low | 81 Ų | 81 | 100.2 Ų | 100.2 | 42% | 0.415 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 173.2 | -71.5 | 168 | 0 | 0 | 0 | 111 | I756 Q758 K764 | I756-I760 HydrophobicContact CG2-CD1 3.65Å; I756-I760 HydrophobicContact CG2-CG1 4.31Å; I756-I760 VanDerWaalsContact O-CB 3.32Å; I756-I760 WeakPolarHBondContact O-CB 3.33Å; I756-I760 WeakPolarHBondContact O-CG1 2.96Å; I756-I760 PolarHBondContact O-N 3.45Å; Q758-I760 VanDerWaalsContact C-N 3.27Å; Q758-I760 PolarHBondContact O-N 2.74Å; I760-K764 HydrophobicContact CG2-CD 4.25Å; I760-K764 HydrophobicContact CG2-CG 4.48Å; I760-K764 WeakPolarHBondContact O-CB 3.47Å; I760-K764 VanDerWaalsContact O-CG 3.31Å; I760-K764 WeakPolarHBondContact O-CG 3.34Å; I760-K764 PolarHBondContact O-N 2.81Å |
| 761 | R | 72.6 | Confident | 63.4 | Low | 143 Ų | 143 | 101.3 Ų | 101.3 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 173.4 | -81.9 | -178.5 | -78.1 | 155 | -13.7 | 111.7 | E754 R757 Q758 K764 L765 | E754-R761 IonicContact OE1-NH2 2.94Å; E754-R761 PolarHBondContact OE1-NH2 2.93Å; R757-R761 WeakPolarHBondContact O-CG 3.4Å; R757-R761 PolarHBondContact O-N 2.83Å; R757-R761 PolarHBondContact O-NE 3.48Å; Q758-R761 CarbonylContact O-C 3.57Å; Q758-R761 WeakPolarHBondContact O-CA 3.37Å; Q758-R761 WeakPolarHBondContact O-CB 3.43Å; Q758-R761 PolarHBondContact O-N 2.88Å; R761-K764 PolarHBondContact O-N 3.39Å; R761-L765 PolarHBondContact O-N 2.79Å |
| 762 | E | 64.4 | Low | 62.1 | Low | 128 Ų | 128 | 106 Ų | 106 | 60% | 0.598 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.2 | -44.2 | 176 | -71.7 | -179.5 | 174.5 | 0 | 0 | 111.8 | Q758 Q759 L765 V766 | Q758-E762 WeakPolarHBondContact O-CG 3.36Å; Q758-E762 PolarHBondContact O-N 3.02Å; Q759-E762 PolarHBondContact O-N 3.42Å; E762-L765 CarbonylContact O-C 3.53Å; E762-L765 WeakPolarHBondContact O-CA 3.31Å; E762-L765 VanDerWaalsContact O-CB 3.26Å; E762-L765 WeakPolarHBondContact O-CB 3.16Å; E762-L765 PolarHBondContact O-N 2.85Å; E762-L765 VanDerWaalsContact O-N 3.13Å; E762-V766 VanDerWaalsContact O-CG2 3.28Å; E762-V766 WeakPolarHBondContact O-CG2 3.49Å; E762-V766 PolarHBondContact O-N 2.67Å |
| 763 | L | 59.8 | Low | 60.5 | Low | 112 Ų | 112 | 108 Ų | 108 | 59% | 0.586 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.7 | -36.9 | 176.1 | -74.4 | 170.2 | 0 | 0 | 0 | 112 | Q759 L765 V766 M767 | Q759-L763 WeakPolarHBondContact O-CB 3.25Å; Q759-L763 WeakPolarHBondContact O-CG 3.36Å; Q759-L763 PolarHBondContact O-N 3.22Å; L763-L765 PolarHBondContact O-N 3.39Å; L763-V766 PolarHBondContact O-N 2.78Å; L763-M767 VanDerWaalsContact O-CB 3.24Å; L763-M767 WeakPolarHBondContact O-CB 3.4Å; L763-M767 PolarHBondContact O-N 3.4Å |
| 764 | K | 56.4 | Low | 59.2 | Low | 144 Ų | 144 | 110 Ų | 110 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.1 | -35.3 | 170.6 | -86.1 | 179.2 | 176 | 178.3 | 0 | 111.6 | I760 R761 | I760-K764 HydrophobicContact CG2-CD 4.25Å; I760-K764 HydrophobicContact CG2-CG 4.48Å; I760-K764 WeakPolarHBondContact O-CB 3.47Å; I760-K764 VanDerWaalsContact O-CG 3.31Å; I760-K764 WeakPolarHBondContact O-CG 3.34Å; I760-K764 PolarHBondContact O-N 2.81Å; R761-K764 PolarHBondContact O-N 3.39Å |
| 765 | L | 54.7 | Low | 58 | Low | 121 Ų | 121 | 113.8 Ų | 113.8 | 63% | 0.634 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.5 | -46.9 | 172.4 | -157.7 | 76.1 | 0 | 0 | 0 | 110.7 | R761 E762 L763 M767 S768 Y769 | R761-L765 PolarHBondContact O-N 2.79Å; E762-L765 CarbonylContact O-C 3.53Å; E762-L765 WeakPolarHBondContact O-CA 3.31Å; E762-L765 VanDerWaalsContact O-CB 3.26Å; E762-L765 WeakPolarHBondContact O-CB 3.16Å; E762-L765 PolarHBondContact O-N 2.85Å; E762-L765 VanDerWaalsContact O-N 3.13Å; L763-L765 PolarHBondContact O-N 3.39Å; L765-M767 VanDerWaalsContact C-N 3.26Å; L765-M767 PolarHBondContact O-N 3.31Å; L765-S768 PolarHBondContact O-N 3.28Å; L765-S768 PolarHBondContact O-OG 2.93Å; L765-Y769 WeakPolarHBondContact O-CD1 3.22Å; L765-Y769 WeakPolarHBondContact O-CE1 3.48Å |
| 766 | V | 50.3 | Low | 56.8 | Low | 65 Ų | 65 | 115.7 Ų | 115.7 | 39% | 0.394 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.7 | -34.1 | 178.5 | 176.3 | 0 | 0 | 0 | 0 | 112.6 | E762 L763 S768 Y769 | E762-V766 VanDerWaalsContact O-CG2 3.28Å; E762-V766 WeakPolarHBondContact O-CG2 3.49Å; E762-V766 PolarHBondContact O-N 2.67Å; L763-V766 PolarHBondContact O-N 2.78Å; V766-S768 PolarHBondContact O-N 3.42Å; V766-Y769 VanDerWaalsContact CA-CZ 3.45Å; V766-Y769 WeakPolarHBondContact CA-OH 3.3Å; V766-Y769 HydrophobicContact CG1-CE2 4.37Å; V766-Y769 VanDerWaalsContact CG2-OH 3.31Å; V766-Y769 WeakPolarHBondContact CG2-OH 3.4Å |
| 767 | M | 45.2 | Very low | 55.9 | Low | 133 Ų | 133 | 116.9 Ų | 116.9 | 66% | 0.655 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -11.6 | -176.9 | -153.3 | 161.5 | 61.2 | 0 | 0 | 113.2 | L763 L765 | L763-M767 VanDerWaalsContact O-CB 3.24Å; L763-M767 WeakPolarHBondContact O-CB 3.4Å; L763-M767 PolarHBondContact O-N 3.4Å; L765-M767 VanDerWaalsContact C-N 3.26Å; L765-M767 PolarHBondContact O-N 3.31Å |
| 768 | S | 50.3 | Low | 55 | Low | 97 Ų | 97 | 117.9 Ų | 117.9 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -10.8 | 179.6 | 100.3 | 0 | 0 | 0 | 0 | 114.8 | L765 V766 | L765-S768 PolarHBondContact O-N 3.28Å; L765-S768 PolarHBondContact O-OG 2.93Å; V766-S768 PolarHBondContact O-N 3.42Å |
| 769 | Y | 43.9 | Very low | 54.2 | Low | 145 Ų | 145 | 121.1 Ų | 121.1 | 57% | 0.569 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -125.7 | 4.5 | -169.1 | 47.9 | -101.5 | 0 | 0 | 0 | 118.8 | L765 V766 | L765-Y769 WeakPolarHBondContact O-CD1 3.22Å; L765-Y769 WeakPolarHBondContact O-CE1 3.48Å; V766-Y769 VanDerWaalsContact CA-CZ 3.45Å; V766-Y769 WeakPolarHBondContact CA-OH 3.3Å; V766-Y769 HydrophobicContact CG1-CE2 4.37Å; V766-Y769 VanDerWaalsContact CG2-OH 3.31Å; V766-Y769 WeakPolarHBondContact CG2-OH 3.4Å |
| 770 | T | 45.7 | Very low | 53.8 | Low | 98 Ų | 98 | 120.2 Ų | 120.2 | 60% | 0.601 | 62% | 0.615 | S | S | * | * | trans | -138.5 | 110.1 | 172.1 | 51.7 | 0 | 0 | 0 | 0 | 113 | K774 | T770-K774 WeakPolarHBondContact O-CE 3.43Å; T770-K774 PolarHBondContact O-NZ 3.46Å | ||
| 771 | G | 45.5 | Very low | 53.5 | Low | 57 Ų | 57 | 119.6 Ų | 119.6 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | trans | -102.1 | 138 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 772 | L | 47.3 | Very low | 53.3 | Low | 157 Ų | 157 | 115.7 Ų | 115.7 | 82% | 0.822 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 76.2 | 95.2 | 174.1 | -55 | 168.1 | 0 | 0 | 0 | 114 | ||
| 773 | P | 43.8 | Very low | 53.5 | Low | 125 Ų | 125 | 118 Ų | 118 | 81% | 0.812 | 61% | 0.614 | S | S | * | * | S | Bend | -118.9 | 70.1 | 58.2 | 17.6 | 3.6 | 0 | 0 | 0 | 113.3 | L775 | P773-L775 PolarHBondContact O-N 3.2Š| |
| 774 | K | 47.8 | Very low | 54.2 | Low | 102 Ų | 102 | 118.7 Ų | 118.7 | 44% | 0.443 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -81.9 | -1.4 | -173.2 | -82.8 | 179.9 | 172.1 | 166.7 | 0 | 116.3 | T770 F778 | T770-K774 WeakPolarHBondContact O-CE 3.43Å; T770-K774 PolarHBondContact O-NZ 3.46Å; K774-F778 WeakPolarHBondContact O-CB 3.4Å; K774-F778 PolarHBondContact O-N 3.3Å |
| 775 | L | 47.1 | Very low | 54.8 | Low | 151 Ų | 151 | 114.5 Ų | 114.5 | 79% | 0.791 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -82.7 | -29.1 | -174.4 | -162.7 | 64.3 | 0 | 0 | 0 | 114.2 | P773 | P773-L775 PolarHBondContact O-N 3.2Å |
| 776 | F | 52.6 | Low | 55.8 | Low | 168 Ų | 168 | 113.4 Ų | 113.4 | 74% | 0.737 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -80.6 | -36 | 175.9 | -171.2 | -104.8 | 0 | 0 | 0 | 112.3 | ||
| 777 | V | 55 | Low | 57.2 | Low | 99 Ų | 99 | 114.7 Ų | 114.7 | 60% | 0.6 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.9 | -33.7 | 177.4 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | K779 N780 S781 | V777-K779 PolarHBondContact O-N 2.95Å; V777-N780 PolarHBondContact O-N 3.35Å; V777-S781 VanDerWaalsContact O-CB 3.31Å; V777-S781 WeakPolarHBondContact O-CB 3.46Å; V777-S781 PolarHBondContact O-N 2.9Å |
| 778 | F | 53.5 | Low | 58.9 | Low | 140 Ų | 140 | 110.9 Ų | 110.9 | 61% | 0.614 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.2 | -40.1 | 178.8 | -174 | -103.3 | 0 | 0 | 0 | 113 | K774 S781 V782 | K774-F778 WeakPolarHBondContact O-CB 3.4Å; K774-F778 PolarHBondContact O-N 3.3Å; F778-S781 WeakPolarHBondContact O-CB 3.17Å; F778-S781 PolarHBondContact O-N 2.86Å; F778-V782 HydrophobicContact CD1-CG2 4.26Å; F778-V782 HydrophobicContact CE1-CG2 3.88Å; F778-V782 HydrophobicContact CE2-CG2 4.41Å; F778-V782 HydrophobicContact CZ-CG2 3.96Å; F778-V782 WeakPolarHBondContact O-CG2 3.16Å; F778-V782 PolarHBondContact O-N 2.84Å |
| 779 | K | 55.5 | Low | 60.3 | Low | 163 Ų | 163 | 110.6 Ų | 110.6 | 71% | 0.709 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.2 | -36.2 | -178.6 | -158.6 | 172.5 | -175.2 | 176.9 | 0 | 112.9 | V777 R783 | V777-K779 PolarHBondContact O-N 2.95Å; K779-R783 PolarHBondContact O-N 3.25Å |
| 780 | N | 64.8 | Low | 62 | Low | 96 Ų | 96 | 106 Ų | 106 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.5 | -33.6 | 170.8 | -74.6 | -12 | 0 | 0 | 0 | 111.7 | V777 R783 H784 | V777-N780 PolarHBondContact O-N 3.35Å; N780-R783 PolarHBondContact O-N 3.49Å; N780-H784 VanDerWaalsContact O-CB 3.27Å; N780-H784 WeakPolarHBondContact O-CB 3.26Å; N780-H784 PolarHBondContact O-N 3.22Å |
| 781 | S | 66.7 | Low | 63.9 | Low | 68 Ų | 68 | 107 Ų | 107 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.6 | -34.9 | 175.9 | -167.6 | 0 | 0 | 0 | 0 | 113 | V777 F778 H784 A785 | V777-S781 VanDerWaalsContact O-CB 3.31Å; V777-S781 WeakPolarHBondContact O-CB 3.46Å; V777-S781 PolarHBondContact O-N 2.9Å; F778-S781 WeakPolarHBondContact O-CB 3.17Å; F778-S781 PolarHBondContact O-N 2.86Å; S781-H784 PolarHBondContact O-N 3.49Å; S781-A785 VanDerWaalsContact O-CB 3.27Å; S781-A785 WeakPolarHBondContact O-CB 3.28Å; S781-A785 PolarHBondContact O-N 3.38Å |
| 782 | V | 68.1 | Low | 65.6 | Low | 61 Ų | 61 | 109.1 Ų | 109.1 | 37% | 0.37 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.7 | -47 | 175 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | F778 H784 A785 D786 | F778-V782 HydrophobicContact CD1-CG2 4.26Å; F778-V782 HydrophobicContact CE1-CG2 3.88Å; F778-V782 HydrophobicContact CE2-CG2 4.41Å; F778-V782 HydrophobicContact CZ-CG2 3.96Å; F778-V782 WeakPolarHBondContact O-CG2 3.16Å; F778-V782 PolarHBondContact O-N 2.84Å; V782-H784 VanDerWaalsContact C-N 3.25Å; V782-H784 PolarHBondContact O-N 2.81Å; V782-A785 PolarHBondContact O-N 2.8Å; V782-A785 VanDerWaalsContact O-N 3.13Å; V782-D786 PolarHBondContact O-N 2.95Å |
| 783 | R | 68.9 | Low | 67.6 | Low | 177 Ų | 177 | 106.5 Ų | 106.5 | 67% | 0.668 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60 | -37.1 | 173.1 | -85.3 | -177.1 | 81.4 | 169.5 | 5.3 | 112.2 | K779 N780 N787 | K779-R783 PolarHBondContact O-N 3.25Å; N780-R783 PolarHBondContact O-N 3.49Å; R783-N787 VanDerWaalsContact O-CB 3.31Å; R783-N787 WeakPolarHBondContact O-CB 3.41Å; R783-N787 PolarHBondContact O-N 3.49Å; R783-N787 PolarHBondContact O-OD1 3.3Å |
| 784 | H | 74.5 | Confident | 69.6 | Low | 126 Ų | 126 | 104.7 Ų | 104.7 | 58% | 0.583 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.1 | -40.2 | 176 | -164.2 | 46.9 | 0 | 0 | 0 | 111.4 | N780 S781 V782 N787 V788 | N780-H784 VanDerWaalsContact O-CB 3.27Å; N780-H784 WeakPolarHBondContact O-CB 3.26Å; N780-H784 PolarHBondContact O-N 3.22Å; S781-H784 PolarHBondContact O-N 3.49Å; V782-H784 VanDerWaalsContact C-N 3.25Å; V782-H784 PolarHBondContact O-N 2.81Å; H784-N787 PolarHBondContact O-N 3.39Å; H784-V788 WeakPolarHBondContact O-CB 3.41Å; H784-V788 WeakPolarHBondContact O-CG2 3.43Å; H784-V788 PolarHBondContact O-N 3.17Å |
| 785 | A | 69.4 | Low | 71.5 | Confident | 56 Ų | 56 | 103.9 Ų | 103.9 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S781 V782 V788 N789 | S781-A785 VanDerWaalsContact O-CB 3.27Å; S781-A785 WeakPolarHBondContact O-CB 3.28Å; S781-A785 PolarHBondContact O-N 3.38Å; V782-A785 PolarHBondContact O-N 2.8Å; V782-A785 VanDerWaalsContact O-N 3.13Å; A785-V788 PolarHBondContact O-N 2.86Å; A785-N789 VanDerWaalsContact O-CB 3.25Å; A785-N789 WeakPolarHBondContact O-CB 3.44Å; A785-N789 PolarHBondContact O-N 3.35Å |
| 786 | D | 75.3 | Confident | 73.4 | Confident | 98 Ų | 98 | 103 Ų | 103 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 174.6 | -71.4 | -29.7 | 0 | 0 | 0 | 111.4 | V782 N789 A790 | V782-D786 PolarHBondContact O-N 2.95Å; D786-N789 PolarHBondContact O-N 3.43Å; D786-A790 VanDerWaalsContact O-CB 3.29Å; D786-A790 WeakPolarHBondContact O-CB 3.3Å; D786-A790 PolarHBondContact O-N 3.22Å |
| 787 | N | 79.5 | Confident | 75.1 | Confident | 91 Ų | 91 | 102.8 Ų | 102.8 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 173.6 | -76.9 | -1.6 | 0 | 0 | 0 | 111.3 | R783 H784 A790 E791 | R783-N787 VanDerWaalsContact O-CB 3.31Å; R783-N787 WeakPolarHBondContact O-CB 3.41Å; R783-N787 PolarHBondContact O-N 3.49Å; R783-N787 PolarHBondContact O-OD1 3.3Å; H784-N787 PolarHBondContact O-N 3.39Å; N787-A790 PolarHBondContact O-N 3.49Å; N787-E791 WeakPolarHBondContact O-CB 3.28Å; N787-E791 VanDerWaalsContact O-CG 3.31Å; N787-E791 WeakPolarHBondContact O-CG 3.46Å; N787-E791 PolarHBondContact O-N 2.86Å |
| 788 | V | 81.8 | Confident | 76.7 | Confident | 53 Ų | 53 | 100.3 Ų | 100.3 | 32% | 0.321 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -37 | 177.2 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | H784 A785 E791 L792 | H784-V788 WeakPolarHBondContact O-CB 3.41Å; H784-V788 WeakPolarHBondContact O-CG2 3.43Å; H784-V788 PolarHBondContact O-N 3.17Å; A785-V788 PolarHBondContact O-N 2.86Å; V788-E791 PolarHBondContact O-N 3.43Å; V788-L792 HydrophobicContact CG1-CD1 4.06Å; V788-L792 HydrophobicContact CG1-CG 4.44Å; V788-L792 WeakPolarHBondContact O-CB 3.31Å; V788-L792 VanDerWaalsContact O-CG 3.29Å; V788-L792 WeakPolarHBondContact O-CG 3.42Å; V788-L792 PolarHBondContact O-N 2.9Å |
| 789 | N | 79.1 | Confident | 78.4 | Confident | 92 Ų | 92 | 99.1 Ų | 99.1 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.4 | -36.9 | 176.6 | -167.3 | 34.4 | 0 | 0 | 0 | 111.7 | A785 D786 L792 Q793 | A785-N789 VanDerWaalsContact O-CB 3.25Å; A785-N789 WeakPolarHBondContact O-CB 3.44Å; A785-N789 PolarHBondContact O-N 3.35Å; D786-N789 PolarHBondContact O-N 3.43Å; N789-L792 PolarHBondContact O-N 2.85Å; N789-Q793 WeakPolarHBondContact O-CB 3.46Å; N789-Q793 PolarHBondContact O-N 3Å |
| 790 | A | 80.1 | Confident | 80.2 | Confident | 49 Ų | 49 | 97 Ų | 97 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D786 N787 L792 Q793 V794 | D786-A790 VanDerWaalsContact O-CB 3.29Å; D786-A790 WeakPolarHBondContact O-CB 3.3Å; D786-A790 PolarHBondContact O-N 3.22Å; N787-A790 PolarHBondContact O-N 3.49Å; A790-L792 PolarHBondContact O-N 2.64Å; A790-Q793 PolarHBondContact O-N 3.41Å; A790-V794 WeakPolarHBondContact O-CB 3.36Å; A790-V794 WeakPolarHBondContact O-CG2 3.41Å; A790-V794 PolarHBondContact O-N 3.23Å |
| 791 | E | 84.7 | Confident | 81.4 | Confident | 117 Ų | 117 | 97.8 Ų | 97.8 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 173.2 | -78.3 | 173.2 | -169.2 | 0 | 0 | 111.7 | N787 V788 V794 N795 | N787-E791 WeakPolarHBondContact O-CB 3.28Å; N787-E791 VanDerWaalsContact O-CG 3.31Å; N787-E791 WeakPolarHBondContact O-CG 3.46Å; N787-E791 PolarHBondContact O-N 2.86Å; V788-E791 PolarHBondContact O-N 3.43Å; E791-V794 PolarHBondContact O-N 3.24Å; E791-N795 VanDerWaalsContact O-CB 3.24Å; E791-N795 WeakPolarHBondContact O-CB 3.5Å; E791-N795 PolarHBondContact O-N 2.86Å; E791-N795 PolarHBondContact O-ND2 3Å |
| 792 | L | 82.1 | Confident | 82.7 | Confident | 103 Ų | 103 | 100.5 Ų | 100.5 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 176 | -77.7 | 170.2 | 0 | 0 | 0 | 112.1 | V788 N789 A790 V794 N795 M796 | V788-L792 HydrophobicContact CG1-CD1 4.06Å; V788-L792 HydrophobicContact CG1-CG 4.44Å; V788-L792 WeakPolarHBondContact O-CB 3.31Å; V788-L792 VanDerWaalsContact O-CG 3.29Å; V788-L792 WeakPolarHBondContact O-CG 3.42Å; V788-L792 PolarHBondContact O-N 2.9Å; N789-L792 PolarHBondContact O-N 2.85Å; A790-L792 PolarHBondContact O-N 2.64Å; L792-V794 VanDerWaalsContact C-N 3.35Å; L792-N795 PolarHBondContact O-N 3.41Å; L792-M796 VanDerWaalsContact O-CB 3.27Å; L792-M796 WeakPolarHBondContact O-CB 3.48Å; L792-M796 PolarHBondContact O-N 2.97Å |
| 793 | Q | 88.5 | Confident | 83.8 | Confident | 101 Ų | 101 | 104.4 Ų | 104.4 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 172.6 | -94 | -172.9 | 0.9 | 0 | 0 | 112.1 | N789 A790 M796 R797 | N789-Q793 WeakPolarHBondContact O-CB 3.46Å; N789-Q793 PolarHBondContact O-N 3Å; A790-Q793 PolarHBondContact O-N 3.41Å; Q793-M796 PolarHBondContact O-N 2.89Å; Q793-R797 WeakPolarHBondContact O-CB 3.37Å; Q793-R797 VanDerWaalsContact O-CG 3.32Å; Q793-R797 WeakPolarHBondContact O-CG 3.26Å; Q793-R797 PolarHBondContact O-N 3.3Å |
| 794 | V | 86.4 | Confident | 84.9 | Confident | 87 Ų | 87 | 99.6 Ų | 99.6 | 53% | 0.527 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 175.7 | 168.8 | 0 | 0 | 0 | 0 | 110.3 | A790 E791 L792 R797 S798 | A790-V794 WeakPolarHBondContact O-CB 3.36Å; A790-V794 WeakPolarHBondContact O-CG2 3.41Å; A790-V794 PolarHBondContact O-N 3.23Å; E791-V794 PolarHBondContact O-N 3.24Å; L792-V794 VanDerWaalsContact C-N 3.35Å; V794-R797 PolarHBondContact O-N 2.82Å; V794-S798 WeakPolarHBondContact O-CB 3.39Å; V794-S798 PolarHBondContact O-N 3.38Å |
| 795 | N | 87.9 | Confident | 85.8 | Confident | 86 Ų | 86 | 97.4 Ų | 97.4 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 176.4 | -74.3 | -23.5 | 0 | 0 | 0 | 112 | E791 L792 S798 L799 | E791-N795 VanDerWaalsContact O-CB 3.24Å; E791-N795 WeakPolarHBondContact O-CB 3.5Å; E791-N795 PolarHBondContact O-N 2.86Å; E791-N795 PolarHBondContact O-ND2 3Å; L792-N795 PolarHBondContact O-N 3.41Å; N795-S798 PolarHBondContact O-N 3.29Å; N795-L799 WeakPolarHBondContact O-CB 3.26Å; N795-L799 WeakPolarHBondContact O-CG 3.49Å; N795-L799 PolarHBondContact O-N 3.49Å |
| 796 | M | 86.9 | Confident | 86.9 | Confident | 133 Ų | 133 | 99.8 Ų | 99.8 | 66% | 0.655 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.8 | -42.6 | 176.6 | -165 | 154.1 | 100.1 | 0 | 0 | 111.1 | L792 Q793 S798 L799 Q800 | L792-M796 VanDerWaalsContact O-CB 3.27Å; L792-M796 WeakPolarHBondContact O-CB 3.48Å; L792-M796 PolarHBondContact O-N 2.97Å; Q793-M796 PolarHBondContact O-N 2.89Å; M796-S798 VanDerWaalsContact C-N 3.34Å; M796-L799 PolarHBondContact O-N 2.81Å; M796-Q800 VanDerWaalsContact O-CB 3.23Å; M796-Q800 WeakPolarHBondContact O-CB 3.34Å; M796-Q800 PolarHBondContact O-N 3.29Å |
| 797 | R | 88.3 | Confident | 87.8 | Confident | 163 Ų | 163 | 101 Ų | 101 | 62% | 0.615 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -39.6 | 170.4 | -73.8 | 179.1 | -178.7 | 151.6 | 3.1 | 111.9 | Q793 V794 Q800 L801 | Q793-R797 WeakPolarHBondContact O-CB 3.37Å; Q793-R797 VanDerWaalsContact O-CG 3.32Å; Q793-R797 WeakPolarHBondContact O-CG 3.26Å; Q793-R797 PolarHBondContact O-N 3.3Å; V794-R797 PolarHBondContact O-N 2.82Å; R797-Q800 PolarHBondContact O-N 2.91Å; R797-L801 VanDerWaalsContact O-CB 3.31Å; R797-L801 WeakPolarHBondContact O-CB 3.33Å; R797-L801 WeakPolarHBondContact O-CG 3.5Å; R797-L801 PolarHBondContact O-N 3.31Å |
| 798 | S | 88.9 | Confident | 88.4 | Confident | 46 Ų | 46 | 99.3 Ų | 99.3 | 32% | 0.322 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 177.5 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | V794 N795 M796 K802 | V794-S798 WeakPolarHBondContact O-CB 3.39Å; V794-S798 PolarHBondContact O-N 3.38Å; N795-S798 PolarHBondContact O-N 3.29Å; M796-S798 VanDerWaalsContact C-N 3.34Å; S798-K802 WeakPolarHBondContact O-CB 3.37Å; S798-K802 VanDerWaalsContact O-CG 3.23Å; S798-K802 WeakPolarHBondContact O-CG 3.18Å; S798-K802 PolarHBondContact O-N 2.96Å |
| 799 | L | 89.9 | Confident | 88.9 | Confident | 115 Ų | 115 | 101.3 Ų | 101.3 | 60% | 0.602 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.5 | -39.6 | 174.3 | -79.1 | 168.4 | 0 | 0 | 0 | 111.9 | N795 M796 K802 Y803 | N795-L799 WeakPolarHBondContact O-CB 3.26Å; N795-L799 WeakPolarHBondContact O-CG 3.49Å; N795-L799 PolarHBondContact O-N 3.49Å; M796-L799 PolarHBondContact O-N 2.81Å; L799-K802 PolarHBondContact O-N 3.46Å; L799-Y803 WeakPolarHBondContact O-CB 3.23Å; L799-Y803 PolarHBondContact O-N 3.27Å |
| 800 | Q | 92.1 | Very high | 89.4 | Confident | 118 Ų | 118 | 101.7 Ų | 101.7 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.8 | -43.4 | 176.4 | -170 | 140.9 | -1.5 | 0 | 0 | 111.6 | M796 R797 K802 Y803 D804 | M796-Q800 VanDerWaalsContact O-CB 3.23Å; M796-Q800 WeakPolarHBondContact O-CB 3.34Å; M796-Q800 PolarHBondContact O-N 3.29Å; R797-Q800 PolarHBondContact O-N 2.91Å; Q800-K802 VanDerWaalsContact C-N 3.34Å; Q800-K802 PolarHBondContact O-N 2.99Å; Q800-Y803 WeakPolarHBondContact O-CB 3.45Å; Q800-Y803 PolarHBondContact O-N 2.83Å; Q800-D804 WeakPolarHBondContact O-CB 3.35Å; Q800-D804 VanDerWaalsContact O-CG 3.26Å; Q800-D804 PolarHBondContact O-N 3.27Å |
| 801 | L | 90.7 | Very high | 90 | Very high | 114 Ų | 114 | 101.8 Ų | 101.8 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.6 | -42.6 | 171.1 | -75.3 | 172 | 0 | 0 | 0 | 111.7 | R797 D804 V805 | R797-L801 VanDerWaalsContact O-CB 3.31Å; R797-L801 WeakPolarHBondContact O-CB 3.33Å; R797-L801 WeakPolarHBondContact O-CG 3.5Å; R797-L801 PolarHBondContact O-N 3.31Å; L801-D804 PolarHBondContact O-N 2.85Å; L801-V805 WeakPolarHBondContact O-CB 3.31Å; L801-V805 WeakPolarHBondContact O-CG2 3.4Å; L801-V805 PolarHBondContact O-N 2.66Å |
| 802 | K | 93 | Very high | 90.5 | Very high | 124 Ų | 124 | 100.7 Ų | 100.7 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 174.5 | -74.7 | 172 | -175.9 | -176.2 | 0 | 112.2 | S798 L799 Q800 V805 I806 | S798-K802 WeakPolarHBondContact O-CB 3.37Å; S798-K802 VanDerWaalsContact O-CG 3.23Å; S798-K802 WeakPolarHBondContact O-CG 3.18Å; S798-K802 PolarHBondContact O-N 2.96Å; L799-K802 PolarHBondContact O-N 3.46Å; Q800-K802 VanDerWaalsContact C-N 3.34Å; Q800-K802 PolarHBondContact O-N 2.99Å; K802-V805 PolarHBondContact O-N 3.43Å; K802-I806 WeakPolarHBondContact O-CB 3.26Å; K802-I806 VanDerWaalsContact O-CG1 3.26Å; K802-I806 WeakPolarHBondContact O-CG1 3.45Å; K802-I806 PolarHBondContact O-N 2.92Å |
| 803 | Y | 92.2 | Very high | 91 | Very high | 144 Ų | 144 | 100.7 Ų | 100.7 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.6 | -45.3 | 175.7 | 174.7 | -94.7 | 0 | 0 | 0 | 111.3 | L799 Q800 I806 K807 | L799-Y803 WeakPolarHBondContact O-CB 3.23Å; L799-Y803 PolarHBondContact O-N 3.27Å; Q800-Y803 WeakPolarHBondContact O-CB 3.45Å; Q800-Y803 PolarHBondContact O-N 2.83Å; Y803-I806 PolarHBondContact O-N 3.39Å; Y803-K807 HydrophobicContact CE1-CD 4.09Å; Y803-K807 WeakPolarHBondContact O-CB 3.41Å; Y803-K807 PolarHBondContact O-N 2.9Å |
| 804 | D | 92.2 | Very high | 91.3 | Very high | 76 Ų | 76 | 102 Ų | 102 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 178.3 | -67.5 | -28.7 | 0 | 0 | 0 | 111.5 | Q800 L801 K807 A808 | Q800-D804 WeakPolarHBondContact O-CB 3.35Å; Q800-D804 VanDerWaalsContact O-CG 3.26Å; Q800-D804 PolarHBondContact O-N 3.27Å; L801-D804 PolarHBondContact O-N 2.85Å; D804-K807 PolarHBondContact O-N 3.42Å; D804-A808 VanDerWaalsContact O-CB 3.31Å; D804-A808 WeakPolarHBondContact O-CB 3.36Å; D804-A808 PolarHBondContact O-N 2.82Å |
| 805 | V | 92.8 | Very high | 91.6 | Very high | 79 Ų | 79 | 105.6 Ų | 105.6 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -51.5 | 173.1 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | L801 K802 K807 A808 D809 | L801-V805 WeakPolarHBondContact O-CB 3.31Å; L801-V805 WeakPolarHBondContact O-CG2 3.4Å; L801-V805 PolarHBondContact O-N 2.66Å; K802-V805 PolarHBondContact O-N 3.43Å; V805-K807 PolarHBondContact O-N 3.31Å; V805-A808 PolarHBondContact O-N 3.26Å; V805-A808 VanDerWaalsContact O-N 3.14Å; V805-D809 WeakPolarHBondContact O-CB 3.46Å; V805-D809 PolarHBondContact O-N 2.93Å |
| 806 | I | 93.1 | Very high | 92 | Very high | 106 Ų | 106 | 105 Ų | 105 | 54% | 0.544 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -36.7 | 177.9 | -69.3 | 166.7 | 0 | 0 | 0 | 111.2 | K802 Y803 N810 | K802-I806 WeakPolarHBondContact O-CB 3.26Å; K802-I806 VanDerWaalsContact O-CG1 3.26Å; K802-I806 WeakPolarHBondContact O-CG1 3.45Å; K802-I806 PolarHBondContact O-N 2.92Å; Y803-I806 PolarHBondContact O-N 3.39Å; I806-N810 WeakPolarHBondContact O-CB 3.44Å; I806-N810 PolarHBondContact O-N 2.96Å |
| 807 | K | 93.1 | Very high | 92.2 | Very high | 123 Ų | 123 | 101.8 Ų | 101.8 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.6 | -40.4 | 176.7 | -173.7 | 179.1 | 178.6 | -176.9 | 0 | 111.7 | Y803 D804 V805 N810 A811 | Y803-K807 HydrophobicContact CE1-CD 4.09Å; Y803-K807 WeakPolarHBondContact O-CB 3.41Å; Y803-K807 PolarHBondContact O-N 2.9Å; D804-K807 PolarHBondContact O-N 3.42Å; V805-K807 PolarHBondContact O-N 3.31Å; K807-N810 PolarHBondContact O-N 3.28Å; K807-A811 WeakPolarHBondContact O-CB 3.44Å; K807-A811 PolarHBondContact O-N 3.41Å |
| 808 | A | 92.7 | Very high | 92.5 | Very high | 57 Ų | 57 | 98.6 Ų | 98.6 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D804 V805 N810 A811 E812 | D804-A808 VanDerWaalsContact O-CB 3.31Å; D804-A808 WeakPolarHBondContact O-CB 3.36Å; D804-A808 PolarHBondContact O-N 2.82Å; V805-A808 PolarHBondContact O-N 3.26Å; V805-A808 VanDerWaalsContact O-N 3.14Å; A808-N810 VanDerWaalsContact C-N 3.35Å; A808-N810 PolarHBondContact O-N 2.91Å; A808-A811 PolarHBondContact O-N 3.16Å; A808-E812 WeakPolarHBondContact O-CB 3.2Å; A808-E812 PolarHBondContact O-N 2.88Å |
| 809 | D | 92.1 | Very high | 92.8 | Very high | 95 Ų | 95 | 99.2 Ų | 99.2 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 175.3 | -71.3 | -8.9 | 0 | 0 | 0 | 111.3 | V805 A811 E812 M813 | V805-D809 WeakPolarHBondContact O-CB 3.46Å; V805-D809 PolarHBondContact O-N 2.93Å; D809-A811 PolarHBondContact O-N 3.41Å; D809-E812 PolarHBondContact O-N 3.25Å; D809-M813 WeakPolarHBondContact O-CB 3.44Å; D809-M813 VanDerWaalsContact O-CG 3.31Å; D809-M813 WeakPolarHBondContact O-CG 3.47Å; D809-M813 PolarHBondContact O-N 3.3Å |
| 810 | N | 89.4 | Confident | 92.9 | Very high | 100 Ų | 100 | 102.1 Ų | 102.1 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 174.3 | -99.3 | -23.5 | 0 | 0 | 0 | 112.6 | I806 K807 A808 E812 M813 Q814 | I806-N810 WeakPolarHBondContact O-CB 3.44Å; I806-N810 PolarHBondContact O-N 2.96Å; K807-N810 PolarHBondContact O-N 3.28Å; A808-N810 VanDerWaalsContact C-N 3.35Å; A808-N810 PolarHBondContact O-N 2.91Å; N810-E812 VanDerWaalsContact C-N 3.33Å; N810-M813 PolarHBondContact O-N 2.82Å; N810-Q814 WeakPolarHBondContact O-CB 3.43Å; N810-Q814 WeakPolarHBondContact O-CG 3.46Å; N810-Q814 PolarHBondContact O-N 3.37Å |
| 811 | A | 93.7 | Very high | 93 | Very high | 50 Ų | 50 | 102.5 Ų | 102.5 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.4 | -36.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K807 A808 D809 Q814 R815 | K807-A811 WeakPolarHBondContact O-CB 3.44Å; K807-A811 PolarHBondContact O-N 3.41Å; A808-A811 PolarHBondContact O-N 3.16Å; D809-A811 PolarHBondContact O-N 3.41Å; A811-Q814 PolarHBondContact O-N 2.94Å; A811-R815 WeakPolarHBondContact O-CG 3.31Å; A811-R815 PolarHBondContact O-N 2.84Å |
| 812 | E | 94 | Very high | 93.2 | Very high | 95 Ų | 95 | 102.6 Ų | 102.6 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 174.6 | -177.7 | 56.5 | -154.8 | 0 | 0 | 111.3 | A808 D809 N810 Q814 R815 Q816 | A808-E812 WeakPolarHBondContact O-CB 3.2Å; A808-E812 PolarHBondContact O-N 2.88Å; D809-E812 PolarHBondContact O-N 3.25Å; N810-E812 VanDerWaalsContact C-N 3.33Å; E812-Q814 VanDerWaalsContact C-N 3.31Å; E812-Q814 PolarHBondContact O-N 3.23Å; E812-R815 WeakPolarHBondContact O-CB 3.38Å; E812-R815 PolarHBondContact O-N 3.3Å; E812-Q816 WeakPolarHBondContact O-CB 3.44Å; E812-Q816 WeakPolarHBondContact O-CG 3.39Å; E812-Q816 PolarHBondContact O-N 2.86Å; E812-Q816 PolarHBondContact OE1-NE2 3.1Å |
| 813 | M | 92.4 | Very high | 93.2 | Very high | 102 Ų | 102 | 98.7 Ų | 98.7 | 50% | 0.502 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 173.5 | -72.1 | -57.1 | -56.3 | 0 | 0 | 111.9 | D809 N810 Q816 C817 | D809-M813 WeakPolarHBondContact O-CB 3.44Å; D809-M813 VanDerWaalsContact O-CG 3.31Å; D809-M813 WeakPolarHBondContact O-CG 3.47Å; D809-M813 PolarHBondContact O-N 3.3Å; N810-M813 PolarHBondContact O-N 2.82Å; M813-Q816 PolarHBondContact O-N 3.23Å; M813-C817 PolarHBondContact O-N 3.46Å; M813-C817 PolarHBondContact O-SG 3.04Å |
| 814 | Q | 95.1 | Very high | 93.3 | Very high | 129 Ų | 129 | 95.8 Ų | 95.8 | 60% | 0.603 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.9 | -44.6 | 172.8 | -81.4 | 173.2 | -30.1 | 0 | 0 | 112.2 | N810 A811 E812 Q816 C817 E818 | N810-Q814 WeakPolarHBondContact O-CB 3.43Å; N810-Q814 WeakPolarHBondContact O-CG 3.46Å; N810-Q814 PolarHBondContact O-N 3.37Å; A811-Q814 PolarHBondContact O-N 2.94Å; E812-Q814 VanDerWaalsContact C-N 3.31Å; E812-Q814 PolarHBondContact O-N 3.23Å; Q814-Q816 VanDerWaalsContact C-N 3.27Å; Q814-Q816 PolarHBondContact O-N 2.75Å; Q814-C817 PolarHBondContact O-N 2.79Å; Q814-E818 WeakPolarHBondContact O-CG 3.17Å; Q814-E818 PolarHBondContact O-N 3.47Å |
| 815 | R | 93.8 | Very high | 93.4 | Very high | 162 Ų | 162 | 95.6 Ų | 95.6 | 61% | 0.611 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.7 | -41.2 | 173 | -80.5 | -172.2 | 110.8 | 76.6 | 0.1 | 111.6 | A811 E812 E818 T819 | A811-R815 WeakPolarHBondContact O-CG 3.31Å; A811-R815 PolarHBondContact O-N 2.84Å; E812-R815 WeakPolarHBondContact O-CB 3.38Å; E812-R815 PolarHBondContact O-N 3.3Å; R815-E818 PolarHBondContact O-N 3.11Å; R815-T819 VanDerWaalsContact O-CG2 3.29Å; R815-T819 WeakPolarHBondContact O-CG2 3.3Å; R815-T819 PolarHBondContact O-N 3.37Å; R815-T819 PolarHBondContact O-OG1 3.41Å |
| 816 | Q | 94.9 | Very high | 93.4 | Very high | 74 Ų | 74 | 97.6 Ų | 97.6 | 35% | 0.346 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 177.4 | -73.8 | 179.3 | 13.3 | 0 | 0 | 111.1 | E812 M813 Q814 E818 T819 W820 | E812-Q816 WeakPolarHBondContact O-CB 3.44Å; E812-Q816 WeakPolarHBondContact O-CG 3.39Å; E812-Q816 PolarHBondContact O-N 2.86Å; E812-Q816 PolarHBondContact OE1-NE2 3.1Å; M813-Q816 PolarHBondContact O-N 3.23Å; Q814-Q816 VanDerWaalsContact C-N 3.27Å; Q814-Q816 PolarHBondContact O-N 2.75Å; Q816-E818 VanDerWaalsContact C-N 3.35Å; Q816-E818 PolarHBondContact O-N 3.46Å; Q816-T819 VanDerWaalsContact CA-OG1 3.26Å; Q816-T819 WeakPolarHBondContact CA-OG1 3.42Å; Q816-T819 PolarHBondContact O-N 2.9Å; Q816-T819 VanDerWaalsContact O-N 3.11Å; Q816-T819 PolarHBondContact O-OG1 3.3Å; Q816-W820 PolarHBondContact O-N 3.38Å |
| 817 | C | 92.3 | Very high | 93.4 | Very high | 65 Ų | 65 | 94.6 Ų | 94.6 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56 | -47.7 | 172.1 | -70.4 | 0 | 0 | 0 | 0 | 111.6 | M813 Q814 T819 W820 E821 | M813-C817 PolarHBondContact O-N 3.46Å; M813-C817 PolarHBondContact O-SG 3.04Å; Q814-C817 PolarHBondContact O-N 2.79Å; C817-T819 VanDerWaalsContact C-N 3.3Å; C817-T819 PolarHBondContact O-N 3.29Å; C817-W820 PolarHBondContact O-N 2.81Å; C817-E821 WeakPolarHBondContact O-CB 3.46Å; C817-E821 VanDerWaalsContact O-CG 3.31Å; C817-E821 WeakPolarHBondContact O-CG 3.36Å; C817-E821 PolarHBondContact O-N 2.89Å |
| 818 | E | 94.6 | Very high | 93.4 | Very high | 96 Ų | 96 | 93 Ų | 93 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -34.8 | 176 | -71 | 171.8 | -171.3 | 0 | 0 | 112.5 | Q814 R815 Q816 R822 | Q814-E818 WeakPolarHBondContact O-CG 3.17Å; Q814-E818 PolarHBondContact O-N 3.47Å; R815-E818 PolarHBondContact O-N 3.11Å; Q816-E818 VanDerWaalsContact C-N 3.35Å; Q816-E818 PolarHBondContact O-N 3.46Å; E818-R822 WeakPolarHBondContact O-CB 3.29Å; E818-R822 WeakPolarHBondContact O-CG 3.46Å; E818-R822 VanDerWaalsContact O-CZ 3.3Å; E818-R822 PolarHBondContact O-N 3.44Å; E818-R822 PolarHBondContact O-NE 3.5Å; E818-R822 PolarHBondContact O-NH2 3.29Å |
| 819 | T | 94.7 | Very high | 93.5 | Very high | 59 Ų | 59 | 96.4 Ų | 96.4 | 36% | 0.362 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.7 | -41.1 | 175.2 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | R815 Q816 C817 R822 A823 | R815-T819 VanDerWaalsContact O-CG2 3.29Å; R815-T819 WeakPolarHBondContact O-CG2 3.3Å; R815-T819 PolarHBondContact O-N 3.37Å; R815-T819 PolarHBondContact O-OG1 3.41Å; Q816-T819 VanDerWaalsContact CA-OG1 3.26Å; Q816-T819 WeakPolarHBondContact CA-OG1 3.42Å; Q816-T819 PolarHBondContact O-N 2.9Å; Q816-T819 VanDerWaalsContact O-N 3.11Å; Q816-T819 PolarHBondContact O-OG1 3.3Å; C817-T819 VanDerWaalsContact C-N 3.3Å; C817-T819 PolarHBondContact O-N 3.29Å; T819-R822 PolarHBondContact O-N 2.97Å; T819-A823 VanDerWaalsContact O-CB 3.31Å; T819-A823 WeakPolarHBondContact O-CB 3.3Å; T819-A823 PolarHBondContact O-N 2.83Å |
| 820 | W | 92.4 | Very high | 93.7 | Very high | 176 Ų | 176 | 95.9 Ų | 95.9 | 67% | 0.667 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.2 | -39.8 | 175.2 | -69.8 | 119.7 | 0 | 0 | 0 | 111.1 | Q816 C817 A823 V824 | Q816-W820 PolarHBondContact O-N 3.38Å; C817-W820 PolarHBondContact O-N 2.81Å; W820-A823 PolarHBondContact O-N 3.24Å; W820-V824 WeakPolarHBondContact O-CB 3.32Å; W820-V824 WeakPolarHBondContact O-CG2 3.26Å; W820-V824 PolarHBondContact O-N 2.89Å |
| 821 | E | 94.6 | Very high | 93.9 | Very high | 127 Ų | 127 | 97.1 Ų | 97.1 | 59% | 0.593 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.8 | -46.9 | 173.4 | -75.5 | 175.4 | 178.7 | 0 | 0 | 111.5 | C817 V824 T825 | C817-E821 WeakPolarHBondContact O-CB 3.46Å; C817-E821 VanDerWaalsContact O-CG 3.31Å; C817-E821 WeakPolarHBondContact O-CG 3.36Å; C817-E821 PolarHBondContact O-N 2.89Å; E821-V824 PolarHBondContact O-N 2.86Å; E821-T825 WeakPolarHBondContact O-CG2 3.41Å; E821-T825 PolarHBondContact O-N 3.23Å; E821-T825 PolarHBondContact O-OG1 3.23Å |
| 822 | R | 93.6 | Very high | 93.9 | Very high | 115 Ų | 115 | 98.8 Ų | 98.8 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 174.7 | -82.6 | -178.9 | -86.6 | 96.2 | 1.7 | 112.7 | E818 T819 V824 T825 E826 | E818-R822 WeakPolarHBondContact O-CB 3.29Å; E818-R822 WeakPolarHBondContact O-CG 3.46Å; E818-R822 VanDerWaalsContact O-CZ 3.3Å; E818-R822 PolarHBondContact O-N 3.44Å; E818-R822 PolarHBondContact O-NE 3.5Å; E818-R822 PolarHBondContact O-NH2 3.29Å; T819-R822 PolarHBondContact O-N 2.97Å; R822-V824 VanDerWaalsContact C-N 3.29Å; R822-V824 PolarHBondContact O-N 3.27Å; R822-T825 WeakPolarHBondContact CA-OG1 3.33Å; R822-T825 PolarHBondContact O-N 3.37Å; R822-T825 PolarHBondContact O-OG1 3.01Å; R822-E826 WeakPolarHBondContact O-CB 3.39Å; R822-E826 VanDerWaalsContact O-CG 3.31Å; R822-E826 WeakPolarHBondContact O-CG 3.29Å; R822-E826 PolarHBondContact O-N 3.41Å |
| 823 | A | 94.2 | Very high | 93.9 | Very high | 42 Ų | 42 | 98.2 Ų | 98.2 | 35% | 0.347 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T819 W820 A827 | T819-A823 VanDerWaalsContact O-CB 3.31Å; T819-A823 WeakPolarHBondContact O-CB 3.3Å; T819-A823 PolarHBondContact O-N 2.83Å; W820-A823 PolarHBondContact O-N 3.24Å; A823-A827 VanDerWaalsContact O-CB 3.23Å; A823-A827 WeakPolarHBondContact O-CB 3.21Å; A823-A827 PolarHBondContact O-N 3.23Å |
| 824 | V | 94.4 | Very high | 93.9 | Very high | 83 Ų | 83 | 98.2 Ų | 98.2 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 174.4 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | W820 E821 R822 N828 | W820-V824 WeakPolarHBondContact O-CB 3.32Å; W820-V824 WeakPolarHBondContact O-CG2 3.26Å; W820-V824 PolarHBondContact O-N 2.89Å; E821-V824 PolarHBondContact O-N 2.86Å; R822-V824 VanDerWaalsContact C-N 3.29Å; R822-V824 PolarHBondContact O-N 3.27Å; V824-N828 WeakPolarHBondContact O-CB 3.47Å; V824-N828 VanDerWaalsContact O-CG 3.25Å; V824-N828 PolarHBondContact O-N 2.85Å; V824-N828 PolarHBondContact O-ND2 3.41Å; V824-N828 VanDerWaalsContact O-ND2 3.11Å |
| 825 | T | 93.4 | Very high | 93.9 | Very high | 72 Ų | 72 | 99.1 Ų | 99.1 | 44% | 0.442 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 175.6 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | E821 R822 A827 N828 E829 | E821-T825 WeakPolarHBondContact O-CG2 3.41Å; E821-T825 PolarHBondContact O-N 3.23Å; E821-T825 PolarHBondContact O-OG1 3.23Å; R822-T825 WeakPolarHBondContact CA-OG1 3.33Å; R822-T825 PolarHBondContact O-N 3.37Å; R822-T825 PolarHBondContact O-OG1 3.01Å; T825-A827 PolarHBondContact O-N 3.49Å; T825-N828 PolarHBondContact O-N 3.49Å; T825-E829 WeakPolarHBondContact O-CG 3.22Å; T825-E829 PolarHBondContact O-N 3.39Å |
| 826 | E | 93.7 | Very high | 94 | Very high | 122 Ų | 122 | 97.1 Ų | 97.1 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 177.3 | -72.8 | 169.3 | -167.1 | 0 | 0 | 111.3 | R822 E829 C830 | R822-E826 WeakPolarHBondContact O-CB 3.39Å; R822-E826 VanDerWaalsContact O-CG 3.31Å; R822-E826 WeakPolarHBondContact O-CG 3.29Å; R822-E826 PolarHBondContact O-N 3.41Å; E826-E829 PolarHBondContact O-N 3.16Å; E826-C830 VanDerWaalsContact O-CB 3.32Å; E826-C830 WeakPolarHBondContact O-CB 3.47Å; E826-C830 PolarHBondContact O-N 2.87Å |
| 827 | A | 92.8 | Very high | 93.9 | Very high | 42 Ų | 42 | 99.7 Ų | 99.7 | 35% | 0.347 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A823 T825 C830 F831 | A823-A827 VanDerWaalsContact O-CB 3.23Å; A823-A827 WeakPolarHBondContact O-CB 3.21Å; A823-A827 PolarHBondContact O-N 3.23Å; T825-A827 PolarHBondContact O-N 3.49Å; A827-C830 WeakPolarHBondContact O-CB 3.2Å; A827-C830 PolarHBondContact O-N 2.81Å; A827-F831 HydrophobicContact CB-CE2 4.45Å; A827-F831 WeakPolarHBondContact O-CD2 3.47Å; A827-F831 WeakPolarHBondContact O-CG 3.28Å; A827-F831 PolarHBondContact O-N 3.12Å |
| 828 | N | 93.7 | Very high | 94 | Very high | 91 Ų | 91 | 101.9 Ų | 101.9 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 176.2 | -77.1 | -34.2 | 0 | 0 | 0 | 112.5 | V824 T825 C830 F831 E832 | V824-N828 WeakPolarHBondContact O-CB 3.47Å; V824-N828 VanDerWaalsContact O-CG 3.25Å; V824-N828 PolarHBondContact O-N 2.85Å; V824-N828 PolarHBondContact O-ND2 3.41Å; V824-N828 VanDerWaalsContact O-ND2 3.11Å; T825-N828 PolarHBondContact O-N 3.49Å; N828-C830 VanDerWaalsContact C-N 3.35Å; N828-F831 PolarHBondContact O-N 3.46Å; N828-E832 WeakPolarHBondContact O-CG 3.43Å; N828-E832 PolarHBondContact O-N 3.47Å |
| 829 | E | 94.8 | Very high | 94 | Very high | 128 Ų | 128 | 102.9 Ų | 102.9 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 173.3 | -73.7 | 179.7 | 171.6 | 0 | 0 | 111.1 | T825 E826 F831 E832 D833 | T825-E829 WeakPolarHBondContact O-CG 3.22Å; T825-E829 PolarHBondContact O-N 3.39Å; E826-E829 PolarHBondContact O-N 3.16Å; E829-F831 VanDerWaalsContact C-N 3.34Å; E829-F831 PolarHBondContact O-N 3.23Å; E829-E832 PolarHBondContact O-N 2.92Å; E829-D833 PolarHBondContact O-N 3.47Å |
| 830 | C | 94.4 | Very high | 94 | Very high | 84 Ų | 84 | 105 Ų | 105 | 57% | 0.568 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.8 | -42.1 | 174.5 | -173.1 | 0 | 0 | 0 | 0 | 112 | E826 A827 N828 D833 L834 | E826-C830 VanDerWaalsContact O-CB 3.32Å; E826-C830 WeakPolarHBondContact O-CB 3.47Å; E826-C830 PolarHBondContact O-N 2.87Å; A827-C830 WeakPolarHBondContact O-CB 3.2Å; A827-C830 PolarHBondContact O-N 2.81Å; N828-C830 VanDerWaalsContact C-N 3.35Å; C830-D833 PolarHBondContact O-N 2.84Å; C830-L834 WeakPolarHBondContact O-CB 3.29Å; C830-L834 PolarHBondContact O-N 2.94Å |
| 831 | F | 93.8 | Very high | 94.2 | Very high | 125 Ų | 125 | 102.1 Ų | 102.1 | 55% | 0.548 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 174.2 | -77.1 | -59.3 | 0 | 0 | 0 | 112.8 | A827 N828 E829 L834 R835 | A827-F831 HydrophobicContact CB-CE2 4.45Å; A827-F831 WeakPolarHBondContact O-CD2 3.47Å; A827-F831 WeakPolarHBondContact O-CG 3.28Å; A827-F831 PolarHBondContact O-N 3.12Å; N828-F831 PolarHBondContact O-N 3.46Å; E829-F831 VanDerWaalsContact C-N 3.34Å; E829-F831 PolarHBondContact O-N 3.23Å; F831-L834 PolarHBondContact O-N 3.24Å; F831-R835 WeakPolarHBondContact O-CB 3.49Å; F831-R835 VanDerWaalsContact O-CG 3.29Å; F831-R835 WeakPolarHBondContact O-CG 3.36Å; F831-R835 PolarHBondContact O-N 2.94Å |
| 832 | E | 93.7 | Very high | 94.2 | Very high | 85 Ų | 85 | 99.7 Ų | 99.7 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 176.6 | -77 | -59.3 | 132.5 | 0 | 0 | 111.9 | N828 E829 R835 K836 | N828-E832 WeakPolarHBondContact O-CG 3.43Å; N828-E832 PolarHBondContact O-N 3.47Å; E829-E832 PolarHBondContact O-N 2.92Å; E832-R835 WeakPolarHBondContact O-CB 3.41Å; E832-R835 PolarHBondContact O-N 3.39Å; E832-R835 IonicContact OE1-CZ 3.33Å; E832-R835 IonicContact OE1-NH1 3.34Å; E832-R835 PolarHBondContact OE1-NH1 2.92Å; E832-K836 VanDerWaalsContact O-CG 3.26Å; E832-K836 WeakPolarHBondContact O-CG 3.36Å; E832-K836 PolarHBondContact O-N 3.44Å |
| 833 | D | 94 | Very high | 94.3 | Very high | 83 Ų | 83 | 100.1 Ų | 100.1 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68 | -40.5 | 174.9 | -72.8 | -16.8 | 0 | 0 | 0 | 111.9 | E829 C830 R835 K836 Q837 | E829-D833 PolarHBondContact O-N 3.47Å; C830-D833 PolarHBondContact O-N 2.84Å; D833-R835 VanDerWaalsContact C-N 3.32Å; D833-R835 PolarHBondContact O-N 2.75Å; D833-K836 PolarHBondContact O-N 3.45Å; D833-K836 IonicContact OD1-NZ 3.86Å; D833-K836 PolarHBondContact OD1-NZ 3.34Å; D833-Q837 WeakPolarHBondContact O-CB 3.28Å; D833-Q837 WeakPolarHBondContact O-CG 3.43Å; D833-Q837 PolarHBondContact O-N 2.92Å |
| 834 | L | 94.1 | Very high | 94.3 | Very high | 103 Ų | 103 | 101.7 Ų | 101.7 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 173.5 | -169.5 | 63.8 | 0 | 0 | 0 | 111.8 | C830 F831 Q837 H838 | C830-L834 WeakPolarHBondContact O-CB 3.29Å; C830-L834 PolarHBondContact O-N 2.94Å; F831-L834 PolarHBondContact O-N 3.24Å; L834-Q837 PolarHBondContact O-N 2.87Å; L834-H838 WeakPolarHBondContact O-CB 3.5Å; L834-H838 PolarHBondContact O-N 3.39Å |
| 835 | R | 95.1 | Very high | 94.3 | Very high | 147 Ų | 147 | 102.7 Ų | 102.7 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 172 | -79.9 | 174.3 | 177.3 | 171.5 | -0.4 | 112.1 | F831 E832 D833 Q837 H838 H839 | F831-R835 WeakPolarHBondContact O-CB 3.49Å; F831-R835 VanDerWaalsContact O-CG 3.29Å; F831-R835 WeakPolarHBondContact O-CG 3.36Å; F831-R835 PolarHBondContact O-N 2.94Å; E832-R835 WeakPolarHBondContact O-CB 3.41Å; E832-R835 PolarHBondContact O-N 3.39Å; E832-R835 IonicContact OE1-CZ 3.33Å; E832-R835 IonicContact OE1-NH1 3.34Å; E832-R835 PolarHBondContact OE1-NH1 2.92Å; D833-R835 VanDerWaalsContact C-N 3.32Å; D833-R835 PolarHBondContact O-N 2.75Å; R835-Q837 VanDerWaalsContact C-N 3.34Å; R835-H838 PolarHBondContact O-N 2.89Å; R835-H839 WeakPolarHBondContact O-CB 3.26Å; R835-H839 PolarHBondContact O-CD2 3.29Å; R835-H839 PolarHBondContact O-N 3.3Å |
| 836 | K | 94.9 | Very high | 94.4 | Very high | 121 Ų | 121 | 104.5 Ų | 104.5 | 53% | 0.526 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.1 | -69.3 | 167.4 | -155.1 | 156.6 | 0 | 111 | E832 D833 H839 L840 | E832-K836 VanDerWaalsContact O-CG 3.26Å; E832-K836 WeakPolarHBondContact O-CG 3.36Å; E832-K836 PolarHBondContact O-N 3.44Å; D833-K836 PolarHBondContact O-N 3.45Å; D833-K836 IonicContact OD1-NZ 3.86Å; D833-K836 PolarHBondContact OD1-NZ 3.34Å; K836-H839 PolarHBondContact O-N 2.9Å; K836-L840 WeakPolarHBondContact O-CB 3.22Å; K836-L840 PolarHBondContact O-N 2.86Å |
| 837 | Q | 93.7 | Very high | 94.5 | Very high | 128 Ų | 128 | 104.5 Ų | 104.5 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 175.1 | -74.4 | -179.7 | -20.8 | 0 | 0 | 111.7 | D833 L834 R835 L840 L841 | D833-Q837 WeakPolarHBondContact O-CB 3.28Å; D833-Q837 WeakPolarHBondContact O-CG 3.43Å; D833-Q837 PolarHBondContact O-N 2.92Å; L834-Q837 PolarHBondContact O-N 2.87Å; R835-Q837 VanDerWaalsContact C-N 3.34Å; Q837-L840 PolarHBondContact O-N 3.21Å; Q837-L841 WeakPolarHBondContact O-CB 3.24Å; Q837-L841 PolarHBondContact O-N 2.71Å |
| 838 | H | 94.2 | Very high | 94.6 | Very high | 111 Ų | 111 | 106.8 Ų | 106.8 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 175.7 | -175.8 | 60.9 | 0 | 0 | 0 | 111.9 | L834 R835 L841 L842 | L834-H838 WeakPolarHBondContact O-CB 3.5Å; L834-H838 PolarHBondContact O-N 3.39Å; R835-H838 PolarHBondContact O-N 2.89Å; H838-L841 PolarHBondContact O-N 3.35Å; H838-L842 WeakPolarHBondContact O-CB 3.17Å; H838-L842 PolarHBondContact O-N 2.77Å |
| 839 | H | 94.5 | Very high | 94.6 | Very high | 116 Ų | 116 | 107.3 Ų | 107.3 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -37 | 174.5 | -76.7 | -37.7 | 0 | 0 | 0 | 113 | R835 K836 L842 K843 | R835-H839 WeakPolarHBondContact O-CB 3.26Å; R835-H839 PolarHBondContact O-CD2 3.29Å; R835-H839 PolarHBondContact O-N 3.3Å; K836-H839 PolarHBondContact O-N 2.9Å; H839-L842 PolarHBondContact O-N 2.89Å; H839-K843 WeakPolarHBondContact O-CG 2.86Å; H839-K843 PolarHBondContact O-N 3.31Å |
| 840 | L | 94.8 | Very high | 94.7 | Very high | 103 Ų | 103 | 104 Ų | 104 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 174.1 | -175.7 | 62.8 | 0 | 0 | 0 | 110.6 | K836 Q837 L842 K843 D844 | K836-L840 WeakPolarHBondContact O-CB 3.22Å; K836-L840 PolarHBondContact O-N 2.86Å; Q837-L840 PolarHBondContact O-N 3.21Å; L840-L842 VanDerWaalsContact C-N 3.26Å; L840-L842 PolarHBondContact O-N 2.84Å; L840-K843 WeakPolarHBondContact O-CB 2.77Å; L840-K843 PolarHBondContact O-N 2.79Å; L840-K843 VanDerWaalsContact O-N 3.09Å; L840-D844 PolarHBondContact O-N 3.29Å |
| 841 | L | 95.5 | Very high | 94.7 | Very high | 116 Ų | 116 | 105 Ų | 105 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -36.1 | 176.1 | -171.6 | 67.4 | 0 | 0 | 0 | 112 | Q837 H838 D844 H845 | Q837-L841 WeakPolarHBondContact O-CB 3.24Å; Q837-L841 PolarHBondContact O-N 2.71Å; H838-L841 PolarHBondContact O-N 3.35Å; L841-D844 PolarHBondContact O-N 3.11Å; L841-H845 WeakPolarHBondContact O-CB 3.07Å; L841-H845 PolarHBondContact O-N 3.4Å |
| 842 | L | 95.8 | Very high | 94.8 | Very high | 76 Ų | 76 | 104.1 Ų | 104.1 | 40% | 0.398 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 173.4 | -128.4 | 81.9 | 0 | 0 | 0 | 111.3 | H838 H839 L840 D844 H845 E846 | H838-L842 WeakPolarHBondContact O-CB 3.17Å; H838-L842 PolarHBondContact O-N 2.77Å; H839-L842 PolarHBondContact O-N 2.89Å; L840-L842 VanDerWaalsContact C-N 3.26Å; L840-L842 PolarHBondContact O-N 2.84Å; L842-D844 VanDerWaalsContact C-N 3.35Å; L842-D844 PolarHBondContact O-N 3.29Å; L842-H845 WeakPolarHBondContact O-CB 3.39Å; L842-H845 PolarHBondContact O-N 3.39Å; L842-E846 VanDerWaalsContact O-CG 3.31Å; L842-E846 WeakPolarHBondContact O-CG 3.24Å; L842-E846 PolarHBondContact O-N 2.85Å |
| 843 | K | 95.5 | Very high | 94.9 | Very high | 124 Ų | 124 | 107.2 Ų | 107.2 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.2 | -73.5 | 178.1 | 179.2 | -178.3 | 0 | 112 | H839 L840 H845 E846 Q847 | H839-K843 WeakPolarHBondContact O-CG 2.86Å; H839-K843 PolarHBondContact O-N 3.31Å; L840-K843 WeakPolarHBondContact O-CB 2.77Å; L840-K843 PolarHBondContact O-N 2.79Å; L840-K843 VanDerWaalsContact O-N 3.09Å; K843-H845 VanDerWaalsContact C-N 3.29Å; K843-H845 PolarHBondContact O-N 2.74Å; K843-E846 PolarHBondContact O-N 2.94Å; K843-Q847 WeakPolarHBondContact O-CB 3.27Å; K843-Q847 VanDerWaalsContact O-CG 3.26Å; K843-Q847 WeakPolarHBondContact O-CG 2.83Å; K843-Q847 PolarHBondContact O-N 2.69Å |
| 844 | D | 94.5 | Very high | 94.9 | Very high | 75 Ų | 75 | 108.7 Ų | 108.7 | 40% | 0.401 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 176.5 | -67 | -11 | 0 | 0 | 0 | 110.6 | L840 L841 L842 Q847 L848 | L840-D844 PolarHBondContact O-N 3.29Å; L841-D844 PolarHBondContact O-N 3.11Å; L842-D844 VanDerWaalsContact C-N 3.35Å; L842-D844 PolarHBondContact O-N 3.29Å; D844-Q847 PolarHBondContact O-N 3.47Å; D844-L848 WeakPolarHBondContact O-CB 3.06Å; D844-L848 PolarHBondContact O-N 2.88Å |
| 845 | H | 94.5 | Very high | 94.9 | Very high | 105 Ų | 105 | 107.6 Ų | 107.6 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 173.7 | -169.3 | 70.9 | 0 | 0 | 0 | 112.4 | L841 L842 K843 Q847 L848 Q849 | L841-H845 WeakPolarHBondContact O-CB 3.07Å; L841-H845 PolarHBondContact O-N 3.4Å; L842-H845 WeakPolarHBondContact O-CB 3.39Å; L842-H845 PolarHBondContact O-N 3.39Å; K843-H845 VanDerWaalsContact C-N 3.29Å; K843-H845 PolarHBondContact O-N 2.74Å; H845-Q847 VanDerWaalsContact C-N 3.34Å; H845-L848 PolarHBondContact O-N 3.42Å; H845-Q849 PolarHBondContact CD2-NE2 3.39Å; H845-Q849 VanDerWaalsContact CD2-NE2 3.29Å; H845-Q849 PolarHBondContact NE2-NE2 3.08Å; H845-Q849 WeakPolarHBondContact O-CB 3.41Å; H845-Q849 VanDerWaalsContact O-CG 3.31Å; H845-Q849 WeakPolarHBondContact O-CG 3.28Å; H845-Q849 PolarHBondContact O-N 2.87Å |
| 846 | E | 94.4 | Very high | 95 | Very high | 109 Ų | 109 | 103.7 Ų | 103.7 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 174.1 | -72.9 | 168.3 | -178.1 | 0 | 0 | 111.5 | L842 K843 Q849 A850 | L842-E846 VanDerWaalsContact O-CG 3.31Å; L842-E846 WeakPolarHBondContact O-CG 3.24Å; L842-E846 PolarHBondContact O-N 2.85Å; K843-E846 PolarHBondContact O-N 2.94Å; E846-Q849 PolarHBondContact O-N 3.26Å; E846-A850 WeakPolarHBondContact O-CB 3.11Å; E846-A850 PolarHBondContact O-N 3.35Å |
| 847 | Q | 95.5 | Very high | 95 | Very high | 123 Ų | 123 | 100.1 Ų | 100.1 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -44 | 175.2 | -73.9 | 175 | 17.9 | 0 | 0 | 111.7 | K843 D844 H845 Q849 A850 L851 | K843-Q847 WeakPolarHBondContact O-CB 3.27Å; K843-Q847 VanDerWaalsContact O-CG 3.26Å; K843-Q847 WeakPolarHBondContact O-CG 2.83Å; K843-Q847 PolarHBondContact O-N 2.69Å; D844-Q847 PolarHBondContact O-N 3.47Å; H845-Q847 VanDerWaalsContact C-N 3.34Å; Q847-Q849 VanDerWaalsContact C-N 3.35Å; Q847-A850 PolarHBondContact O-N 2.84Å; Q847-L851 WeakPolarHBondContact O-CG 3.07Å; Q847-L851 PolarHBondContact O-N 2.88Å |
| 848 | L | 95.6 | Very high | 95 | Very high | 89 Ų | 89 | 98 Ų | 98 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 177.1 | -176.2 | 62.7 | 0 | 0 | 0 | 111.7 | D844 H845 L851 H852 | D844-L848 WeakPolarHBondContact O-CB 3.06Å; D844-L848 PolarHBondContact O-N 2.88Å; H845-L848 PolarHBondContact O-N 3.42Å; L848-L851 PolarHBondContact O-N 3.48Å; L848-H852 PolarHBondContact O-CD2 3.31Å; L848-H852 PolarHBondContact O-N 3.4Å |
| 849 | Q | 94.3 | Very high | 95.1 | Very high | 102 Ų | 102 | 99.8 Ų | 99.8 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 172 | -77.4 | 179.4 | -12.2 | 0 | 0 | 111.2 | H845 E846 Q847 L851 H852 E853 | H845-Q849 PolarHBondContact CD2-NE2 3.39Å; H845-Q849 VanDerWaalsContact CD2-NE2 3.29Å; H845-Q849 PolarHBondContact NE2-NE2 3.08Å; H845-Q849 WeakPolarHBondContact O-CB 3.41Å; H845-Q849 VanDerWaalsContact O-CG 3.31Å; H845-Q849 WeakPolarHBondContact O-CG 3.28Å; H845-Q849 PolarHBondContact O-N 2.87Å; E846-Q849 PolarHBondContact O-N 3.26Å; Q847-Q849 VanDerWaalsContact C-N 3.35Å; Q849-L851 VanDerWaalsContact C-N 3.32Å; Q849-L851 PolarHBondContact O-N 3.47Å; Q849-H852 PolarHBondContact O-N 2.87Å; Q849-H852 VanDerWaalsContact O-N 3.13Å; Q849-E853 WeakPolarHBondContact O-CB 2.94Å; Q849-E853 PolarHBondContact O-N 3.08Å |
| 850 | A | 95.4 | Very high | 95.1 | Very high | 59 Ų | 59 | 98.7 Ų | 98.7 | 49% | 0.488 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E846 Q847 E853 Q854 | E846-A850 WeakPolarHBondContact O-CB 3.11Å; E846-A850 PolarHBondContact O-N 3.35Å; Q847-A850 PolarHBondContact O-N 2.84Å; A850-E853 PolarHBondContact O-N 3.35Å; A850-Q854 WeakPolarHBondContact O-CB 3.38Å; A850-Q854 PolarHBondContact O-N 3.02Å |
| 851 | L | 95.9 | Very high | 95.1 | Very high | 104 Ų | 104 | 99.5 Ų | 99.5 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 173.7 | -71.2 | 175 | 0 | 0 | 0 | 112.2 | Q847 L848 Q849 L855 | Q847-L851 WeakPolarHBondContact O-CG 3.07Å; Q847-L851 PolarHBondContact O-N 2.88Å; L848-L851 PolarHBondContact O-N 3.48Å; Q849-L851 VanDerWaalsContact C-N 3.32Å; Q849-L851 PolarHBondContact O-N 3.47Å; L851-L855 WeakPolarHBondContact O-CB 3.24Å; L851-L855 PolarHBondContact O-N 3.17Å |
| 852 | H | 95.9 | Very high | 95 | Very high | 108 Ų | 108 | 98.9 Ų | 98.9 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 174.2 | -81.4 | -57.6 | 0 | 0 | 0 | 112.6 | L848 Q849 L855 S856 | L848-H852 PolarHBondContact O-CD2 3.31Å; L848-H852 PolarHBondContact O-N 3.4Å; Q849-H852 PolarHBondContact O-N 2.87Å; Q849-H852 VanDerWaalsContact O-N 3.13Å; H852-L855 PolarHBondContact O-N 3.42Å; H852-S856 VanDerWaalsContact O-CB 3.26Å; H852-S856 WeakPolarHBondContact O-CB 3.41Å; H852-S856 PolarHBondContact O-N 3.42Å; H852-S856 PolarHBondContact O-OG 3.37Å |
| 853 | E | 94.2 | Very high | 95 | Very high | 149 Ų | 149 | 103 Ų | 103 | 70% | 0.696 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.9 | -44.9 | 174.3 | -163 | 92.9 | -151.7 | 0 | 0 | 110.4 | Q849 A850 S856 S857 | Q849-E853 WeakPolarHBondContact O-CB 2.94Å; Q849-E853 PolarHBondContact O-N 3.08Å; A850-E853 PolarHBondContact O-N 3.35Å; E853-S856 PolarHBondContact O-N 2.86Å; E853-S857 WeakPolarHBondContact O-CB 3.38Å; E853-S857 PolarHBondContact O-N 2.84Å; E853-S857 PolarHBondContact O-OG 2.86Å |
| 854 | Q | 95.6 | Very high | 95 | Very high | 114 Ų | 114 | 99.5 Ų | 99.5 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 175.8 | -175.4 | 178.9 | -18.8 | 0 | 0 | 111.6 | A850 S856 S857 D858 | A850-Q854 WeakPolarHBondContact O-CB 3.38Å; A850-Q854 PolarHBondContact O-N 3.02Å; Q854-S856 VanDerWaalsContact C-N 3.28Å; Q854-S856 PolarHBondContact O-N 2.86Å; Q854-S857 PolarHBondContact O-N 3.4Å; Q854-S857 PolarHBondContact O-OG 3.19Å; Q854-D858 WeakPolarHBondContact O-CB 3.32Å; Q854-D858 VanDerWaalsContact O-CG 3.3Å; Q854-D858 PolarHBondContact O-N 3.19Å |
| 855 | L | 94 | Very high | 95 | Very high | 81 Ų | 81 | 100.6 Ų | 100.6 | 42% | 0.424 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 177.2 | -177.4 | 63.2 | 0 | 0 | 0 | 111.2 | L851 H852 D858 Y859 | L851-L855 WeakPolarHBondContact O-CB 3.24Å; L851-L855 PolarHBondContact O-N 3.17Å; H852-L855 PolarHBondContact O-N 3.42Å; L855-D858 PolarHBondContact O-N 2.95Å; L855-Y859 HydrophobicContact CD1-CD2 4.02Å; L855-Y859 HydrophobicContact CD1-CE2 3.57Å; L855-Y859 HydrophobicContact CD2-CE2 3.9Å; L855-Y859 HydrophobicContact CG-CD2 3.77Å; L855-Y859 HydrophobicContact CG-CE2 3.47Å; L855-Y859 VanDerWaalsContact CG-CE2 3.47Å; L855-Y859 WeakPolarHBondContact O-CB 3.44Å; L855-Y859 WeakPolarHBondContact O-CD2 3.34Å; L855-Y859 PolarHBondContact O-N 2.88Å |
| 856 | S | 95.7 | Very high | 95 | Very high | 64 Ų | 64 | 98.5 Ų | 98.5 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 175.9 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | H852 E853 Q854 Y859 D860 | H852-S856 VanDerWaalsContact O-CB 3.26Å; H852-S856 WeakPolarHBondContact O-CB 3.41Å; H852-S856 PolarHBondContact O-N 3.42Å; H852-S856 PolarHBondContact O-OG 3.37Å; E853-S856 PolarHBondContact O-N 2.86Å; Q854-S856 VanDerWaalsContact C-N 3.28Å; Q854-S856 PolarHBondContact O-N 2.86Å; S856-Y859 PolarHBondContact O-N 3.27Å; S856-D860 PolarHBondContact O-N 3.4Å |
| 857 | S | 95.3 | Very high | 95 | Very high | 46 Ų | 46 | 98.9 Ų | 98.9 | 32% | 0.322 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 176.4 | 73.7 | 0 | 0 | 0 | 0 | 111.8 | E853 Q854 Y859 D860 H861 | E853-S857 WeakPolarHBondContact O-CB 3.38Å; E853-S857 PolarHBondContact O-N 2.84Å; E853-S857 PolarHBondContact O-OG 2.86Å; Q854-S857 PolarHBondContact O-N 3.4Å; Q854-S857 PolarHBondContact O-OG 3.19Å; S857-Y859 PolarHBondContact O-N 2.83Å; S857-D860 PolarHBondContact O-N 2.79Å; S857-H861 WeakPolarHBondContact O-CB 3.17Å; S857-H861 VanDerWaalsContact O-CG 3.24Å; S857-H861 PolarHBondContact O-N 3.46Å; S857-H861 PolarHBondContact O-ND1 3.31Å |
| 858 | D | 94.7 | Very high | 94.9 | Very high | 85 Ų | 85 | 95.3 Ų | 95.3 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 172.9 | -73.4 | -21.1 | 0 | 0 | 0 | 111.5 | Q854 L855 H861 L862 | Q854-D858 WeakPolarHBondContact O-CB 3.32Å; Q854-D858 VanDerWaalsContact O-CG 3.3Å; Q854-D858 PolarHBondContact O-N 3.19Å; L855-D858 PolarHBondContact O-N 2.95Å; D858-H861 PolarHBondContact O-N 3.46Å; D858-L862 WeakPolarHBondContact O-CB 3.28Å; D858-L862 PolarHBondContact O-N 3.34Å |
| 859 | Y | 95.6 | Very high | 94.9 | Very high | 147 Ų | 147 | 96.1 Ų | 96.1 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | 173.9 | -84.9 | -59.2 | 0 | 0 | 0 | 112.2 | L855 S856 S857 L862 R863 | L855-Y859 HydrophobicContact CD1-CD2 4.02Å; L855-Y859 HydrophobicContact CD1-CE2 3.57Å; L855-Y859 HydrophobicContact CD2-CE2 3.9Å; L855-Y859 HydrophobicContact CG-CD2 3.77Å; L855-Y859 HydrophobicContact CG-CE2 3.47Å; L855-Y859 VanDerWaalsContact CG-CE2 3.47Å; L855-Y859 WeakPolarHBondContact O-CB 3.44Å; L855-Y859 WeakPolarHBondContact O-CD2 3.34Å; L855-Y859 PolarHBondContact O-N 2.88Å; S856-Y859 PolarHBondContact O-N 3.27Å; S857-Y859 PolarHBondContact O-N 2.83Å; Y859-L862 PolarHBondContact O-N 2.77Å; Y859-R863 VanDerWaalsContact O-CB 3.26Å; Y859-R863 WeakPolarHBondContact O-CB 3.33Å; Y859-R863 PolarHBondContact O-N 3.29Å |
| 860 | D | 94.5 | Very high | 94.9 | Very high | 94 Ų | 94 | 97.1 Ų | 97.1 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 176.9 | -77.5 | -28.5 | 0 | 0 | 0 | 111.9 | S856 S857 R863 A864 | S856-D860 PolarHBondContact O-N 3.4Å; S857-D860 PolarHBondContact O-N 2.79Å; D860-R863 WeakPolarHBondContact O-CB 3.17Å; D860-R863 PolarHBondContact O-N 3.46Å; D860-A864 WeakPolarHBondContact O-CB 3.45Å; D860-A864 PolarHBondContact O-N 2.79Å |
| 861 | H | 94.9 | Very high | 94.8 | Very high | 120 Ų | 120 | 97.2 Ų | 97.2 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64 | -45.9 | 174.4 | -75.2 | 33.3 | 0 | 0 | 0 | 110.8 | S857 D858 R863 A864 N865 | S857-H861 WeakPolarHBondContact O-CB 3.17Å; S857-H861 VanDerWaalsContact O-CG 3.24Å; S857-H861 PolarHBondContact O-N 3.46Å; S857-H861 PolarHBondContact O-ND1 3.31Å; D858-H861 PolarHBondContact O-N 3.46Å; H861-R863 VanDerWaalsContact C-N 3.3Å; H861-R863 PolarHBondContact O-N 2.92Å; H861-A864 PolarHBondContact O-N 3.39Å; H861-N865 WeakPolarHBondContact O-CB 3.48Å; H861-N865 VanDerWaalsContact O-CG 3.27Å; H861-N865 PolarHBondContact O-N 2.88Å; H861-N865 PolarHBondContact O-ND2 2.94Å |
| 862 | L | 94.2 | Very high | 94.7 | Very high | 102 Ų | 102 | 97.5 Ų | 97.5 | 53% | 0.534 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 175.2 | -174.4 | 62.3 | 0 | 0 | 0 | 111.2 | D858 Y859 N865 V866 | D858-L862 WeakPolarHBondContact O-CB 3.28Å; D858-L862 PolarHBondContact O-N 3.34Å; Y859-L862 PolarHBondContact O-N 2.77Å; L862-N865 PolarHBondContact O-N 2.84Å; L862-V866 WeakPolarHBondContact O-CB 3.46Å; L862-V866 VanDerWaalsContact O-CG2 3.28Å; L862-V866 WeakPolarHBondContact O-CG2 3.16Å; L862-V866 PolarHBondContact O-N 3.36Å |
| 863 | R | 95.2 | Very high | 94.5 | Very high | 163 Ų | 163 | 97 Ų | 97 | 62% | 0.615 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.7 | -43.4 | 176.5 | -165.8 | 179 | -171.3 | -175.4 | 1.9 | 111.6 | Y859 D860 H861 V866 Q867 | Y859-R863 VanDerWaalsContact O-CB 3.26Å; Y859-R863 WeakPolarHBondContact O-CB 3.33Å; Y859-R863 PolarHBondContact O-N 3.29Å; D860-R863 WeakPolarHBondContact O-CB 3.17Å; D860-R863 PolarHBondContact O-N 3.46Å; H861-R863 VanDerWaalsContact C-N 3.3Å; H861-R863 PolarHBondContact O-N 2.92Å; R863-V866 PolarHBondContact O-N 3.4Å; R863-Q867 VanDerWaalsContact O-CG 3.28Å; R863-Q867 WeakPolarHBondContact O-CG 3.49Å; R863-Q867 PolarHBondContact O-N 2.82Å |
| 864 | A | 94.8 | Very high | 94.6 | Very high | 51 Ų | 51 | 98.9 Ų | 98.9 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D860 H861 V866 Q867 S868 | D860-A864 WeakPolarHBondContact O-CB 3.45Å; D860-A864 PolarHBondContact O-N 2.79Å; H861-A864 PolarHBondContact O-N 3.39Å; A864-V866 PolarHBondContact O-N 3.47Å; A864-Q867 PolarHBondContact O-N 3.13Å; A864-S868 WeakPolarHBondContact O-CB 3.16Å; A864-S868 PolarHBondContact O-N 3.36Å |
| 865 | N | 94.2 | Very high | 94.4 | Very high | 98 Ų | 98 | 98.5 Ų | 98.5 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 175.6 | -74 | -20.9 | 0 | 0 | 0 | 111.9 | H861 L862 Q867 S868 L869 | H861-N865 WeakPolarHBondContact O-CB 3.48Å; H861-N865 VanDerWaalsContact O-CG 3.27Å; H861-N865 PolarHBondContact O-N 2.88Å; H861-N865 PolarHBondContact O-ND2 2.94Å; L862-N865 PolarHBondContact O-N 2.84Å; N865-Q867 VanDerWaalsContact C-N 3.33Å; N865-Q867 PolarHBondContact O-N 3.36Å; N865-S868 PolarHBondContact O-N 2.93Å; N865-L869 WeakPolarHBondContact O-CB 3.48Å; N865-L869 WeakPolarHBondContact O-CG 2.99Å; N865-L869 PolarHBondContact O-N 3.31Å |
| 866 | V | 94.4 | Very high | 94.2 | Very high | 60 Ų | 60 | 96.9 Ų | 96.9 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 175.3 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | L862 R863 A864 K870 | L862-V866 WeakPolarHBondContact O-CB 3.46Å; L862-V866 VanDerWaalsContact O-CG2 3.28Å; L862-V866 WeakPolarHBondContact O-CG2 3.16Å; L862-V866 PolarHBondContact O-N 3.36Å; R863-V866 PolarHBondContact O-N 3.4Å; A864-V866 PolarHBondContact O-N 3.47Å; V866-K870 HydrophobicContact CG1-CD 4.13Å; V866-K870 VanDerWaalsContact O-CB 3.31Å; V866-K870 WeakPolarHBondContact O-CB 2.84Å; V866-K870 VanDerWaalsContact O-CG 3.23Å; V866-K870 WeakPolarHBondContact O-CG 3.29Å; V866-K870 PolarHBondContact O-N 3.38Å |
| 867 | Q | 94.8 | Very high | 94.2 | Very high | 118 Ų | 118 | 100.3 Ų | 100.3 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.4 | -43.5 | 174.4 | -73.1 | 175.1 | 10.6 | 0 | 0 | 111.8 | R863 A864 N865 K870 S871 | R863-Q867 VanDerWaalsContact O-CG 3.28Å; R863-Q867 WeakPolarHBondContact O-CG 3.49Å; R863-Q867 PolarHBondContact O-N 2.82Å; A864-Q867 PolarHBondContact O-N 3.13Å; N865-Q867 VanDerWaalsContact C-N 3.33Å; N865-Q867 PolarHBondContact O-N 3.36Å; Q867-K870 PolarHBondContact O-N 2.82Å; Q867-S871 PolarHBondContact O-N 3.21Å |
| 868 | S | 94.7 | Very high | 94 | Very high | 47 Ų | 47 | 102.9 Ų | 102.9 | 33% | 0.329 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.7 | -51.5 | 174.7 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | A864 N865 K870 S871 Q872 | A864-S868 WeakPolarHBondContact O-CB 3.16Å; A864-S868 PolarHBondContact O-N 3.36Å; N865-S868 PolarHBondContact O-N 2.93Å; S868-K870 VanDerWaalsContact C-N 3.32Å; S868-K870 PolarHBondContact O-N 3.35Å; S868-S871 CarbonylContact O-C 3.59Å; S868-S871 WeakPolarHBondContact O-CA 3.25Å; S868-S871 WeakPolarHBondContact O-CB 3.44Å; S868-S871 PolarHBondContact O-N 2.88Å; S868-S871 PolarHBondContact O-OG 3.36Å; S868-Q872 WeakPolarHBondContact O-CG 3.45Å; S868-Q872 PolarHBondContact O-N 3.25Å; S868-Q872 PolarHBondContact OG-NE2 3.33Å |
| 869 | L | 93.8 | Very high | 93.9 | Very high | 107 Ų | 107 | 102.2 Ų | 102.2 | 56% | 0.56 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.2 | -38.3 | 176.6 | -71.7 | 172.5 | 0 | 0 | 0 | 112.4 | N865 S871 Q872 L873 | N865-L869 WeakPolarHBondContact O-CB 3.48Å; N865-L869 WeakPolarHBondContact O-CG 2.99Å; N865-L869 PolarHBondContact O-N 3.31Å; L869-S871 VanDerWaalsContact C-N 3.34Å; L869-Q872 PolarHBondContact O-N 2.9Å; L869-L873 VanDerWaalsContact O-CB 3.27Å; L869-L873 WeakPolarHBondContact O-CB 3Å; L869-L873 PolarHBondContact O-N 3.46Å |
| 870 | K | 95.2 | Very high | 93.6 | Very high | 122 Ų | 122 | 99.3 Ų | 99.3 | 53% | 0.53 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 172.4 | -79.8 | 174.4 | -179.4 | 176.6 | 0 | 111.9 | V866 Q867 S868 R874 | V866-K870 HydrophobicContact CG1-CD 4.13Å; V866-K870 VanDerWaalsContact O-CB 3.31Å; V866-K870 WeakPolarHBondContact O-CB 2.84Å; V866-K870 VanDerWaalsContact O-CG 3.23Å; V866-K870 WeakPolarHBondContact O-CG 3.29Å; V866-K870 PolarHBondContact O-N 3.38Å; Q867-K870 PolarHBondContact O-N 2.82Å; S868-K870 VanDerWaalsContact C-N 3.32Å; S868-K870 PolarHBondContact O-N 3.35Å; K870-R874 VanDerWaalsContact O-CG 3.3Å; K870-R874 WeakPolarHBondContact O-CG 3.2Å; K870-R874 PolarHBondContact O-N 2.83Å |
| 871 | S | 93 | Very high | 93.6 | Very high | 62 Ų | 62 | 97.5 Ų | 97.5 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 176.2 | 76.6 | 0 | 0 | 0 | 0 | 111.8 | Q867 S868 L869 L873 R874 Q875 | Q867-S871 PolarHBondContact O-N 3.21Å; S868-S871 CarbonylContact O-C 3.59Å; S868-S871 WeakPolarHBondContact O-CA 3.25Å; S868-S871 WeakPolarHBondContact O-CB 3.44Å; S868-S871 PolarHBondContact O-N 2.88Å; S868-S871 PolarHBondContact O-OG 3.36Å; L869-S871 VanDerWaalsContact C-N 3.34Å; S871-L873 PolarHBondContact O-N 3.14Å; S871-R874 WeakPolarHBondContact O-CB 3.32Å; S871-R874 PolarHBondContact O-N 2.81Å; S871-Q875 WeakPolarHBondContact O-CB 3.41Å; S871-Q875 PolarHBondContact O-N 3.41Å |
| 872 | Q | 93.7 | Very high | 93.6 | Very high | 109 Ų | 109 | 95.4 Ų | 95.4 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 175.2 | -68.9 | 175.8 | 21.4 | 0 | 0 | 111.6 | S868 L869 Q875 A876 | S868-Q872 WeakPolarHBondContact O-CG 3.45Å; S868-Q872 PolarHBondContact O-N 3.25Å; S868-Q872 PolarHBondContact OG-NE2 3.33Å; L869-Q872 PolarHBondContact O-N 2.9Å; Q872-Q875 PolarHBondContact O-N 2.84Å; Q872-A876 VanDerWaalsContact O-CB 3.28Å; Q872-A876 WeakPolarHBondContact O-CB 3.25Å; Q872-A876 PolarHBondContact O-N 3.45Å |
| 873 | L | 93 | Very high | 93.4 | Very high | 99 Ų | 99 | 94.8 Ų | 94.8 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 175.1 | -179 | 64.9 | 0 | 0 | 0 | 111.8 | L869 S871 K877 | L869-L873 VanDerWaalsContact O-CB 3.27Å; L869-L873 WeakPolarHBondContact O-CB 3Å; L869-L873 PolarHBondContact O-N 3.46Å; S871-L873 PolarHBondContact O-N 3.14Å; L873-K877 HydrophobicContact CG-CD 4.43Å; L873-K877 WeakPolarHBondContact O-CB 3.28Å; L873-K877 VanDerWaalsContact O-CG 3.24Å; L873-K877 WeakPolarHBondContact O-CG 3.4Å; L873-K877 PolarHBondContact O-N 2.97Å |
| 874 | R | 94.4 | Very high | 93.3 | Very high | 187 Ų | 187 | 89.7 Ų | 89.7 | 71% | 0.706 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64 | -44 | 173.3 | -73.4 | 171.8 | -174.8 | 165.7 | 0.5 | 110.9 | K870 S871 K877 Q878 | K870-R874 VanDerWaalsContact O-CG 3.3Å; K870-R874 WeakPolarHBondContact O-CG 3.2Å; K870-R874 PolarHBondContact O-N 2.83Å; S871-R874 WeakPolarHBondContact O-CB 3.32Å; S871-R874 PolarHBondContact O-N 2.81Å; R874-K877 PolarHBondContact O-N 2.89Å; R874-Q878 PolarHBondContact O-N 3.44Å |
| 875 | Q | 92.7 | Very high | 93.1 | Very high | 107 Ų | 107 | 91.5 Ų | 91.5 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -51.2 | 176.6 | -176.1 | 58.8 | 35.9 | 0 | 0 | 111.3 | S871 Q872 K877 Q878 D879 | S871-Q875 WeakPolarHBondContact O-CB 3.41Å; S871-Q875 PolarHBondContact O-N 3.41Å; Q872-Q875 PolarHBondContact O-N 2.84Å; Q875-K877 VanDerWaalsContact C-N 3.3Å; Q875-K877 PolarHBondContact O-N 2.91Å; Q875-Q878 CarbonylContact O-C 3.52Å; Q875-Q878 WeakPolarHBondContact O-CA 3.16Å; Q875-Q878 WeakPolarHBondContact O-CB 3.46Å; Q875-Q878 PolarHBondContact O-N 2.98Å; Q875-D879 PolarHBondContact NE2-OD1 2.97Å; Q875-D879 PolarHBondContact NE2-OD2 3.42Å; Q875-D879 VanDerWaalsContact O-CG 3.31Å; Q875-D879 PolarHBondContact O-N 3.13Å |
| 876 | A | 90.2 | Very high | 93.2 | Very high | 47 Ų | 47 | 95.2 Ų | 95.2 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.4 | -37.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q872 D879 C880 | Q872-A876 VanDerWaalsContact O-CB 3.28Å; Q872-A876 WeakPolarHBondContact O-CB 3.25Å; Q872-A876 PolarHBondContact O-N 3.45Å; A876-D879 PolarHBondContact O-N 2.93Å; A876-C880 WeakPolarHBondContact O-CB 3.36Å; A876-C880 PolarHBondContact O-N 2.93Å; A876-C880 PolarHBondContact O-SG 2.84Å |
| 877 | K | 94.2 | Very high | 92.9 | Very high | 136 Ų | 136 | 98.1 Ų | 98.1 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.6 | -41.4 | 172.6 | -78.2 | 178.5 | 178.7 | -172.3 | 0 | 112.1 | L873 R874 Q875 S881 | L873-K877 HydrophobicContact CG-CD 4.43Å; L873-K877 WeakPolarHBondContact O-CB 3.28Å; L873-K877 VanDerWaalsContact O-CG 3.24Å; L873-K877 WeakPolarHBondContact O-CG 3.4Å; L873-K877 PolarHBondContact O-N 2.97Å; R874-K877 PolarHBondContact O-N 2.89Å; Q875-K877 VanDerWaalsContact C-N 3.3Å; Q875-K877 PolarHBondContact O-N 2.91Å; K877-S881 WeakPolarHBondContact O-CB 3.06Å; K877-S881 PolarHBondContact O-N 3.04Å |
| 878 | Q | 92.3 | Very high | 92.8 | Very high | 100 Ų | 100 | 98.5 Ų | 98.5 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 175.4 | -173.2 | 60.6 | 41.2 | 0 | 0 | 111.1 | R874 Q875 S881 N882 | R874-Q878 PolarHBondContact O-N 3.44Å; Q875-Q878 CarbonylContact O-C 3.52Å; Q875-Q878 WeakPolarHBondContact O-CA 3.16Å; Q875-Q878 WeakPolarHBondContact O-CB 3.46Å; Q875-Q878 PolarHBondContact O-N 2.98Å; Q878-S881 PolarHBondContact O-N 3.35Å; Q878-N882 PolarHBondContact NE2-OD1 3.44Å; Q878-N882 WeakPolarHBondContact O-CB 3.43Å; Q878-N882 PolarHBondContact O-N 2.88Å; Q878-N882 PolarHBondContact O-ND2 2.84Å; Q878-N882 PolarHBondContact O-OD1 2.84Å |
| 879 | D | 91.6 | Very high | 92.7 | Very high | 70 Ų | 70 | 101 Ų | 101 | 37% | 0.374 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 178.2 | -66.5 | -28.9 | 0 | 0 | 0 | 111.5 | Q875 A876 S881 N882 C883 | Q875-D879 PolarHBondContact NE2-OD1 2.97Å; Q875-D879 PolarHBondContact NE2-OD2 3.42Å; Q875-D879 VanDerWaalsContact O-CG 3.31Å; Q875-D879 PolarHBondContact O-N 3.13Å; A876-D879 PolarHBondContact O-N 2.93Å; D879-S881 VanDerWaalsContact C-N 3.34Å; D879-S881 PolarHBondContact O-N 3.26Å; D879-N882 PolarHBondContact O-N 2.91Å; D879-C883 WeakPolarHBondContact O-CB 2.93Å; D879-C883 PolarHBondContact O-N 2.83Å; D879-C883 PolarHBondContact O-SG 3.39Å |
| 880 | C | 90.8 | Very high | 92.6 | Very high | 87 Ų | 87 | 99.4 Ų | 99.4 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 171.9 | -74.9 | 0 | 0 | 0 | 0 | 112.1 | A876 C883 A884 | A876-C880 WeakPolarHBondContact O-CB 3.36Å; A876-C880 PolarHBondContact O-N 2.93Å; A876-C880 PolarHBondContact O-SG 2.84Å; C880-C883 PolarHBondContact O-N 3.14Å; C880-A884 WeakPolarHBondContact O-CB 3.02Å; C880-A884 PolarHBondContact O-N 3.18Å |
| 881 | S | 94.4 | Very high | 92.5 | Very high | 56 Ų | 56 | 95.8 Ų | 95.8 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | K877 Q878 D879 A884 N885 | K877-S881 WeakPolarHBondContact O-CB 3.06Å; K877-S881 PolarHBondContact O-N 3.04Å; Q878-S881 PolarHBondContact O-N 3.35Å; D879-S881 VanDerWaalsContact C-N 3.34Å; D879-S881 PolarHBondContact O-N 3.26Å; S881-A884 PolarHBondContact O-N 2.96Å; S881-N885 WeakPolarHBondContact O-CB 3.44Å; S881-N885 PolarHBondContact O-N 2.82Å; S881-N885 PolarHBondContact O-ND2 3.19Å; S881-N885 PolarHBondContact O-OD1 2.87Å |
| 882 | N | 93.8 | Very high | 92.4 | Very high | 76 Ų | 76 | 95.3 Ų | 95.3 | 41% | 0.406 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.1 | -67.3 | -20.6 | 0 | 0 | 0 | 111.5 | Q878 D879 N885 R886 | Q878-N882 PolarHBondContact NE2-OD1 3.44Å; Q878-N882 WeakPolarHBondContact O-CB 3.43Å; Q878-N882 PolarHBondContact O-N 2.88Å; Q878-N882 PolarHBondContact O-ND2 2.84Å; Q878-N882 PolarHBondContact O-OD1 2.84Å; D879-N882 PolarHBondContact O-N 2.91Å; N882-N885 PolarHBondContact O-N 2.63Å; N882-R886 WeakPolarHBondContact O-CB 3.03Å; N882-R886 PolarHBondContact O-N 2.87Å |
| 883 | C | 91 | Very high | 92.3 | Very high | 88 Ų | 88 | 94.4 Ų | 94.4 | 60% | 0.595 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 175.7 | -74.4 | 0 | 0 | 0 | 0 | 111.7 | D879 C880 R886 L887 | D879-C883 WeakPolarHBondContact O-CB 2.93Å; D879-C883 PolarHBondContact O-N 2.83Å; D879-C883 PolarHBondContact O-SG 3.39Å; C880-C883 PolarHBondContact O-N 3.14Å; C883-R886 PolarHBondContact O-N 3.48Å; C883-L887 WeakPolarHBondContact O-CB 3.26Å; C883-L887 PolarHBondContact O-N 2.82Å |
| 884 | A | 91.3 | Very high | 92.2 | Very high | 56 Ų | 56 | 94.3 Ų | 94.3 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | C880 S881 R886 L887 E888 | C880-A884 WeakPolarHBondContact O-CB 3.02Å; C880-A884 PolarHBondContact O-N 3.18Å; S881-A884 PolarHBondContact O-N 2.96Å; A884-R886 PolarHBondContact O-N 3.21Å; A884-L887 PolarHBondContact O-N 2.84Å; A884-E888 WeakPolarHBondContact O-CB 3.38Å; A884-E888 PolarHBondContact O-N 3.41Å |
| 885 | N | 92.6 | Very high | 92.1 | Very high | 90 Ų | 90 | 92.5 Ų | 92.5 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 176.5 | -66.7 | -16.6 | 0 | 0 | 0 | 111.9 | S881 N882 L887 E888 Q889 | S881-N885 WeakPolarHBondContact O-CB 3.44Å; S881-N885 PolarHBondContact O-N 2.82Å; S881-N885 PolarHBondContact O-ND2 3.19Å; S881-N885 PolarHBondContact O-OD1 2.87Å; N882-N885 PolarHBondContact O-N 2.63Å; N885-L887 VanDerWaalsContact C-N 3.35Å; N885-E888 PolarHBondContact O-N 3.37Å; N885-Q889 WeakPolarHBondContact O-CB 3.47Å; N885-Q889 PolarHBondContact O-N 2.91Å |
| 886 | R | 94.4 | Very high | 92.1 | Very high | 176 Ų | 176 | 89.5 Ų | 89.5 | 66% | 0.664 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | 175.7 | -173.8 | 79.2 | 96.4 | 112.8 | 7.2 | 111.3 | N882 C883 A884 Q889 V890 | N882-R886 WeakPolarHBondContact O-CB 3.03Å; N882-R886 PolarHBondContact O-N 2.87Å; C883-R886 PolarHBondContact O-N 3.48Å; A884-R886 PolarHBondContact O-N 3.21Å; R886-Q889 PolarHBondContact O-N 3.27Å; R886-V890 WeakPolarHBondContact O-CG2 3.41Å; R886-V890 PolarHBondContact O-N 3.17Å |
| 887 | L | 89.4 | Confident | 92.1 | Very high | 120 Ų | 120 | 92.6 Ų | 92.6 | 63% | 0.628 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.9 | -39 | 179 | -165 | 137.9 | 0 | 0 | 0 | 111 | C883 A884 N885 V890 T891 | C883-L887 WeakPolarHBondContact O-CB 3.26Å; C883-L887 PolarHBondContact O-N 2.82Å; A884-L887 PolarHBondContact O-N 2.84Å; N885-L887 VanDerWaalsContact C-N 3.35Å; L887-V890 PolarHBondContact O-N 2.97Å; L887-T891 HydrophobicContact CD2-CG2 4.2Å; L887-T891 WeakPolarHBondContact O-CB 3.19Å; L887-T891 WeakPolarHBondContact O-CG2 3.25Å; L887-T891 PolarHBondContact O-N 3.42Å; L887-T891 PolarHBondContact O-OG1 3.28Å |
| 888 | E | 92.8 | Very high | 91.8 | Very high | 127 Ų | 127 | 90.3 Ų | 90.3 | 59% | 0.593 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.1 | -42.1 | 171.6 | -172.2 | 166.3 | -159.7 | 0 | 0 | 111.9 | A884 N885 T891 S892 | A884-E888 WeakPolarHBondContact O-CB 3.38Å; A884-E888 PolarHBondContact O-N 3.41Å; N885-E888 PolarHBondContact O-N 3.37Å; E888-T891 WeakPolarHBondContact CA-OG1 3.45Å; E888-T891 PolarHBondContact O-N 2.94Å; E888-T891 PolarHBondContact O-OG1 3.33Å; E888-S892 WeakPolarHBondContact O-CB 3.3Å; E888-S892 PolarHBondContact O-N 3.33Å |
| 889 | Q | 92.8 | Very high | 91.8 | Very high | 99 Ų | 99 | 92.6 Ų | 92.6 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -53.5 | 174.4 | -176.5 | -176.3 | -5.8 | 0 | 0 | 111.4 | N885 R886 T891 S892 E893 | N885-Q889 WeakPolarHBondContact O-CB 3.47Å; N885-Q889 PolarHBondContact O-N 2.91Å; R886-Q889 PolarHBondContact O-N 3.27Å; Q889-T891 VanDerWaalsContact C-N 3.29Å; Q889-T891 PolarHBondContact O-N 3.13Å; Q889-S892 WeakPolarHBondContact O-CA 3.37Å; Q889-S892 WeakPolarHBondContact O-CB 3.3Å; Q889-S892 PolarHBondContact O-N 3.12Å; Q889-S892 PolarHBondContact O-OG 3.09Å; Q889-E893 WeakPolarHBondContact CG-OE1 3.1Å; Q889-E893 PolarHBondContact NE2-OE1 2.82Å; Q889-E893 WeakPolarHBondContact O-CG 3.25Å; Q889-E893 PolarHBondContact O-N 3.22Å |
| 890 | V | 91.8 | Very high | 91.7 | Very high | 73 Ų | 73 | 93.4 Ų | 93.4 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 179.7 | 171.2 | 0 | 0 | 0 | 0 | 111 | R886 L887 S892 E893 N894 | R886-V890 WeakPolarHBondContact O-CG2 3.41Å; R886-V890 PolarHBondContact O-N 3.17Å; L887-V890 PolarHBondContact O-N 2.97Å; V890-S892 VanDerWaalsContact C-N 3.35Å; V890-E893 PolarHBondContact O-N 3.05Å; V890-N894 VanDerWaalsContact O-CB 3.22Å; V890-N894 WeakPolarHBondContact O-CB 3.36Å; V890-N894 PolarHBondContact O-N 3.49Å |
| 891 | T | 91.4 | Very high | 91.6 | Very high | 46 Ų | 46 | 92.8 Ų | 92.8 | 28% | 0.282 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.1 | -35.5 | 175.1 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | L887 E888 Q889 R895 | L887-T891 HydrophobicContact CD2-CG2 4.2Å; L887-T891 WeakPolarHBondContact O-CB 3.19Å; L887-T891 WeakPolarHBondContact O-CG2 3.25Å; L887-T891 PolarHBondContact O-N 3.42Å; L887-T891 PolarHBondContact O-OG1 3.28Å; E888-T891 WeakPolarHBondContact CA-OG1 3.45Å; E888-T891 PolarHBondContact O-N 2.94Å; E888-T891 PolarHBondContact O-OG1 3.33Å; Q889-T891 VanDerWaalsContact C-N 3.29Å; Q889-T891 PolarHBondContact O-N 3.13Å; T891-R895 WeakPolarHBondContact O-CB 3.12Å; T891-R895 WeakPolarHBondContact O-CG 3.46Å; T891-R895 PolarHBondContact O-N 3.41Å |
| 892 | S | 91.6 | Very high | 91.4 | Very high | 53 Ų | 53 | 92.7 Ų | 92.7 | 37% | 0.371 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 174.4 | 79.8 | 0 | 0 | 0 | 0 | 112.5 | E888 Q889 V890 R895 S896 | E888-S892 WeakPolarHBondContact O-CB 3.3Å; E888-S892 PolarHBondContact O-N 3.33Å; Q889-S892 WeakPolarHBondContact O-CA 3.37Å; Q889-S892 WeakPolarHBondContact O-CB 3.3Å; Q889-S892 PolarHBondContact O-N 3.12Å; Q889-S892 PolarHBondContact O-OG 3.09Å; V890-S892 VanDerWaalsContact C-N 3.35Å; S892-R895 PolarHBondContact O-N 2.97Å; S892-S896 PolarHBondContact O-N 3.06Å |
| 893 | E | 91.8 | Very high | 91.2 | Very high | 90 Ų | 90 | 94 Ų | 94 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 174.9 | -73.2 | 172.6 | -172 | 0 | 0 | 110.2 | Q889 V890 R895 S896 L897 | Q889-E893 WeakPolarHBondContact CG-OE1 3.1Å; Q889-E893 PolarHBondContact NE2-OE1 2.82Å; Q889-E893 WeakPolarHBondContact O-CG 3.25Å; Q889-E893 PolarHBondContact O-N 3.22Å; V890-E893 PolarHBondContact O-N 3.05Å; E893-R895 PolarHBondContact O-N 3.18Å; E893-S896 CarbonylContact O-C 3.49Å; E893-S896 WeakPolarHBondContact O-CA 3.3Å; E893-S896 WeakPolarHBondContact O-CB 3.31Å; E893-S896 PolarHBondContact O-N 2.91Å; E893-S896 PolarHBondContact O-OG 2.93Å; E893-L897 WeakPolarHBondContact O-CG 3.4Å; E893-L897 PolarHBondContact O-N 3.25Å |
| 894 | N | 90.5 | Very high | 90.6 | Very high | 97 Ų | 97 | 97 Ų | 97 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.9 | -153 | 13.1 | 0 | 0 | 0 | 111.1 | V890 S896 L897 T898 | V890-N894 VanDerWaalsContact O-CB 3.22Å; V890-N894 WeakPolarHBondContact O-CB 3.36Å; V890-N894 PolarHBondContact O-N 3.49Å; N894-S896 PolarHBondContact O-N 2.82Å; N894-L897 PolarHBondContact O-N 3.26Å; N894-T898 PolarHBondContact O-N 3.48Å; N894-T898 PolarHBondContact O-OG1 3.26Å |
| 895 | R | 93.3 | Very high | 90.5 | Very high | 149 Ų | 149 | 100.2 Ų | 100.2 | 56% | 0.562 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58 | -36.1 | 171.2 | -72 | 169.9 | -161.5 | 152.4 | 6.7 | 112 | T891 S892 E893 R899 | T891-R895 WeakPolarHBondContact O-CB 3.12Å; T891-R895 WeakPolarHBondContact O-CG 3.46Å; T891-R895 PolarHBondContact O-N 3.41Å; S892-R895 PolarHBondContact O-N 2.97Å; E893-R895 PolarHBondContact O-N 3.18Å; R895-R899 WeakPolarHBondContact O-CB 3.23Å; R895-R899 WeakPolarHBondContact O-CG 3.05Å; R895-R899 PolarHBondContact O-N 3.31Å; R895-R899 VanDerWaalsContact O-N 3.11Å; R895-R899 PolarHBondContact O-NE 3.03Å; R895-R899 VanDerWaalsContact O-NE 3.1Å |
| 896 | S | 92.6 | Very high | 90.2 | Very high | 43 Ų | 43 | 101.3 Ų | 101.3 | 30% | 0.301 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.4 | -41.2 | 177.3 | 79.8 | 0 | 0 | 0 | 0 | 112.4 | S892 E893 N894 R899 M900 | S892-S896 PolarHBondContact O-N 3.06Å; E893-S896 CarbonylContact O-C 3.49Å; E893-S896 WeakPolarHBondContact O-CA 3.3Å; E893-S896 WeakPolarHBondContact O-CB 3.31Å; E893-S896 PolarHBondContact O-N 2.91Å; E893-S896 PolarHBondContact O-OG 2.93Å; N894-S896 PolarHBondContact O-N 2.82Å; S896-R899 PolarHBondContact O-N 2.88Å; S896-M900 WeakPolarHBondContact O-CG 2.99Å; S896-M900 PolarHBondContact O-N 3.01Å |
| 897 | L | 89.5 | Confident | 89.7 | Confident | 113 Ų | 113 | 96.9 Ų | 96.9 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.2 | -41.7 | 175.3 | -71.3 | 174.3 | 0 | 0 | 0 | 111.4 | E893 N894 R899 M900 S901 | E893-L897 WeakPolarHBondContact O-CG 3.4Å; E893-L897 PolarHBondContact O-N 3.25Å; N894-L897 PolarHBondContact O-N 3.26Å; L897-R899 VanDerWaalsContact C-N 3.33Å; L897-R899 PolarHBondContact O-N 3.31Å; L897-M900 PolarHBondContact O-N 3.32Å; L897-S901 WeakPolarHBondContact O-CB 3.39Å; L897-S901 PolarHBondContact O-N 3.37Å |
| 898 | T | 88.8 | Confident | 89.6 | Confident | 88 Ų | 88 | 96.6 Ų | 96.6 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 173.9 | -49.7 | 0 | 0 | 0 | 0 | 111.2 | N894 S901 A902 | N894-T898 PolarHBondContact O-N 3.48Å; N894-T898 PolarHBondContact O-OG1 3.26Å; T898-S901 PolarHBondContact O-N 2.88Å; T898-A902 WeakPolarHBondContact O-CB 3.42Å; T898-A902 PolarHBondContact O-N 3.39Å |
| 899 | R | 92.4 | Very high | 89.3 | Confident | 147 Ų | 147 | 94.3 Ų | 94.3 | 56% | 0.555 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.9 | -46.5 | 174.9 | -80.9 | 179.6 | -87.5 | 117.6 | -7 | 112 | R895 S896 L897 A902 Q903 | R895-R899 WeakPolarHBondContact O-CB 3.23Å; R895-R899 WeakPolarHBondContact O-CG 3.05Å; R895-R899 PolarHBondContact O-N 3.31Å; R895-R899 VanDerWaalsContact O-N 3.11Å; R895-R899 PolarHBondContact O-NE 3.03Å; R895-R899 VanDerWaalsContact O-NE 3.1Å; S896-R899 PolarHBondContact O-N 2.88Å; L897-R899 VanDerWaalsContact C-N 3.33Å; L897-R899 PolarHBondContact O-N 3.31Å; R899-A902 PolarHBondContact O-N 3.49Å; R899-Q903 WeakPolarHBondContact O-CG 3Å; R899-Q903 PolarHBondContact O-N 3.36Å |
| 900 | M | 89.3 | Confident | 89.2 | Confident | 88 Ų | 88 | 93.5 Ų | 93.5 | 43% | 0.433 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 176.7 | -73.2 | -60.2 | -57.1 | 0 | 0 | 111.9 | S896 L897 A902 Q903 W904 | S896-M900 WeakPolarHBondContact O-CG 2.99Å; S896-M900 PolarHBondContact O-N 3.01Å; L897-M900 PolarHBondContact O-N 3.32Å; M900-A902 PolarHBondContact O-N 2.76Å; M900-Q903 WeakPolarHBondContact O-CB 3.32Å; M900-Q903 PolarHBondContact O-N 2.66Å; M900-Q903 PolarHBondContact SD-OE1 2.77Å; M900-W904 PolarHBondContact O-N 2.76Å |
| 901 | S | 89.2 | Confident | 88.9 | Confident | 74 Ų | 74 | 95.4 Ų | 95.4 | 52% | 0.517 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 177.5 | -169.2 | 0 | 0 | 0 | 0 | 111.6 | L897 T898 Q903 W904 E905 | L897-S901 WeakPolarHBondContact O-CB 3.39Å; L897-S901 PolarHBondContact O-N 3.37Å; T898-S901 PolarHBondContact O-N 2.88Å; S901-Q903 VanDerWaalsContact C-N 3.34Å; S901-W904 PolarHBondContact O-N 3.19Å; S901-E905 WeakPolarHBondContact O-CB 3.46Å; S901-E905 PolarHBondContact O-N 3.35Å |
| 902 | A | 88.5 | Confident | 88.8 | Confident | 53 Ų | 53 | 94.6 Ų | 94.6 | 44% | 0.438 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T898 R899 M900 E905 Q906 | T898-A902 WeakPolarHBondContact O-CB 3.42Å; T898-A902 PolarHBondContact O-N 3.39Å; R899-A902 PolarHBondContact O-N 3.49Å; M900-A902 PolarHBondContact O-N 2.76Å; A902-E905 PolarHBondContact O-N 3.1Å; A902-Q906 WeakPolarHBondContact O-CB 3.28Å; A902-Q906 PolarHBondContact O-N 3.29Å |
| 903 | Q | 90.8 | Very high | 88.6 | Confident | 103 Ų | 103 | 99.2 Ų | 99.2 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 173.2 | -76 | 177.5 | -19.3 | 0 | 0 | 111.9 | R899 M900 S901 E905 Q906 E907 | R899-Q903 WeakPolarHBondContact O-CG 3Å; R899-Q903 PolarHBondContact O-N 3.36Å; M900-Q903 WeakPolarHBondContact O-CB 3.32Å; M900-Q903 PolarHBondContact O-N 2.66Å; M900-Q903 PolarHBondContact SD-OE1 2.77Å; S901-Q903 VanDerWaalsContact C-N 3.34Å; Q903-E905 VanDerWaalsContact C-N 3.32Å; Q903-E905 PolarHBondContact O-N 3.3Å; Q903-Q906 PolarHBondContact O-N 2.85Å; Q903-E907 WeakPolarHBondContact O-CG 3.35Å; Q903-E907 PolarHBondContact O-N 2.87Å |
| 904 | W | 78.9 | Confident | 88.5 | Confident | 152 Ų | 152 | 99.8 Ų | 99.8 | 58% | 0.576 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.8 | -41.2 | 175.9 | -79.1 | 116.4 | 0 | 0 | 0 | 112.2 | M900 S901 E907 N908 | M900-W904 PolarHBondContact O-N 2.76Å; S901-W904 PolarHBondContact O-N 3.19Å; W904-E907 PolarHBondContact O-N 3.44Å; W904-N908 VanDerWaalsContact O-CB 3.24Å; W904-N908 WeakPolarHBondContact O-CB 3.21Å; W904-N908 PolarHBondContact O-N 2.9Å |
| 905 | E | 87.3 | Confident | 88.4 | Confident | 124 Ų | 124 | 102.8 Ų | 102.8 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.3 | -40.3 | 176.1 | -171.8 | 172.9 | -169 | 0 | 0 | 111.7 | S901 A902 Q903 N908 N909 | S901-E905 WeakPolarHBondContact O-CB 3.46Å; S901-E905 PolarHBondContact O-N 3.35Å; A902-E905 PolarHBondContact O-N 3.1Å; Q903-E905 VanDerWaalsContact C-N 3.32Å; Q903-E905 PolarHBondContact O-N 3.3Å; E905-N908 PolarHBondContact O-N 3.48Å; E905-N909 VanDerWaalsContact O-CB 3.3Å; E905-N909 WeakPolarHBondContact O-CB 3.43Å; E905-N909 PolarHBondContact O-N 2.9Å; E905-N909 PolarHBondContact O-ND2 2.89Å |
| 906 | Q | 86.3 | Confident | 88.4 | Confident | 113 Ų | 113 | 103.2 Ų | 103.2 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 173 | -177.8 | -178.9 | -13.8 | 0 | 0 | 111.5 | A902 Q903 N908 N909 E910 | A902-Q906 WeakPolarHBondContact O-CB 3.28Å; A902-Q906 PolarHBondContact O-N 3.29Å; Q903-Q906 PolarHBondContact O-N 2.85Å; Q906-N908 VanDerWaalsContact C-N 3.3Å; Q906-N908 PolarHBondContact O-N 3.33Å; Q906-N909 CarbonylContact O-C 3.58Å; Q906-N909 WeakPolarHBondContact O-CB 2.98Å; Q906-N909 PolarHBondContact O-N 3.31Å; Q906-E910 WeakPolarHBondContact CG-OE1 3.37Å; Q906-E910 PolarHBondContact NE2-OE1 2.82Å; Q906-E910 WeakPolarHBondContact O-CG 3.17Å; Q906-E910 PolarHBondContact O-N 3.08Å |
| 907 | E | 85.5 | Confident | 88.4 | Confident | 82 Ų | 82 | 105.9 Ų | 105.9 | 38% | 0.383 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 177.1 | -75.4 | -172.8 | -171.3 | 0 | 0 | 112.1 | Q903 W904 N909 E910 K911 | Q903-E907 WeakPolarHBondContact O-CG 3.35Å; Q903-E907 PolarHBondContact O-N 2.87Å; W904-E907 PolarHBondContact O-N 3.44Å; E907-N909 VanDerWaalsContact C-N 3.35Å; E907-E910 PolarHBondContact O-N 3.4Å; E907-K911 WeakPolarHBondContact O-CB 3.25Å; E907-K911 VanDerWaalsContact O-CG 3.28Å; E907-K911 WeakPolarHBondContact O-CG 3.34Å; E907-K911 PolarHBondContact O-N 2.98Å; E907-K911 IonicContact OE2-NZ 3.56Å |
| 908 | N | 87.1 | Confident | 88.5 | Confident | 114 Ų | 114 | 106.7 Ų | 106.7 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.2 | -36 | 178.6 | -151.8 | 40.7 | 0 | 0 | 0 | 111.1 | W904 E905 Q906 G912 | W904-N908 VanDerWaalsContact O-CB 3.24Å; W904-N908 WeakPolarHBondContact O-CB 3.21Å; W904-N908 PolarHBondContact O-N 2.9Å; E905-N908 PolarHBondContact O-N 3.48Å; Q906-N908 VanDerWaalsContact C-N 3.3Å; Q906-N908 PolarHBondContact O-N 3.33Å; N908-G912 PolarHBondContact O-N 3.05Å |
| 909 | N | 86.8 | Confident | 88.6 | Confident | 79 Ų | 79 | 104.7 Ų | 104.7 | 42% | 0.422 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.4 | -38 | 171.4 | -74 | -35 | 0 | 0 | 0 | 111.9 | E905 Q906 E907 G912 R913 | E905-N909 VanDerWaalsContact O-CB 3.3Å; E905-N909 WeakPolarHBondContact O-CB 3.43Å; E905-N909 PolarHBondContact O-N 2.9Å; E905-N909 PolarHBondContact O-ND2 2.89Å; Q906-N909 CarbonylContact O-C 3.58Å; Q906-N909 WeakPolarHBondContact O-CB 2.98Å; Q906-N909 PolarHBondContact O-N 3.31Å; E907-N909 VanDerWaalsContact C-N 3.35Å; N909-G912 PolarHBondContact O-N 2.89Å; N909-R913 VanDerWaalsContact C-NH1 3.31Å; N909-R913 VanDerWaalsContact O-CG 3.28Å; N909-R913 WeakPolarHBondContact O-CG 3.09Å; N909-R913 PolarHBondContact O-N 3.12Å; N909-R913 PolarHBondContact O-NH1 2.74Å |
| 910 | E | 89 | Confident | 88.6 | Confident | 82 Ų | 82 | 99.7 Ų | 99.7 | 38% | 0.383 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -51.5 | 173.2 | -74.4 | 170.5 | -171.1 | 0 | 0 | 111 | Q906 E907 G912 R913 D914 | Q906-E910 WeakPolarHBondContact CG-OE1 3.37Å; Q906-E910 PolarHBondContact NE2-OE1 2.82Å; Q906-E910 WeakPolarHBondContact O-CG 3.17Å; Q906-E910 PolarHBondContact O-N 3.08Å; E907-E910 PolarHBondContact O-N 3.4Å; E910-G912 PolarHBondContact O-N 3.4Å; E910-R913 CarbonylContact O-C 3.55Å; E910-R913 WeakPolarHBondContact O-CA 3.36Å; E910-R913 WeakPolarHBondContact O-CB 3.48Å; E910-R913 PolarHBondContact O-N 3.26Å; E910-D914 PolarHBondContact O-N 2.65Å |
| 911 | K | 86.4 | Confident | 88.7 | Confident | 114 Ų | 114 | 100.3 Ų | 100.3 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.7 | -38.2 | 172.9 | -72 | 168.3 | -174.9 | 159.2 | 0 | 112.1 | E907 D914 Y915 | E907-K911 WeakPolarHBondContact O-CB 3.25Å; E907-K911 VanDerWaalsContact O-CG 3.28Å; E907-K911 WeakPolarHBondContact O-CG 3.34Å; E907-K911 PolarHBondContact O-N 2.98Å; E907-K911 IonicContact OE2-NZ 3.56Å; K911-D914 PolarHBondContact O-N 3.4Å; K911-Y915 VanDerWaalsContact O-CB 3.28Å; K911-Y915 WeakPolarHBondContact O-CB 3.14Å; K911-Y915 PolarHBondContact O-N 3.23Å |
| 912 | G | 88.8 | Confident | 88.9 | Confident | 29 Ų | 29 | 102.3 Ų | 102.3 | 30% | 0.299 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N908 N909 E910 K916 | N908-G912 PolarHBondContact O-N 3.05Å; N909-G912 PolarHBondContact O-N 2.89Å; E910-G912 PolarHBondContact O-N 3.4Å; G912-K916 VanDerWaalsContact O-CG 3.26Å; G912-K916 WeakPolarHBondContact O-CG 3.45Å; G912-K916 PolarHBondContact O-N 2.87Å; G912-K916 VanDerWaalsContact O-N 3.09Å |
| 913 | R | 87.7 | Confident | 89 | Confident | 150 Ų | 150 | 104.5 Ų | 104.5 | 57% | 0.566 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.3 | -43.5 | 172.8 | -72.1 | 175.8 | -163.2 | 102.5 | -1.7 | 111.2 | N909 E910 K916 L917 | N909-R913 VanDerWaalsContact C-NH1 3.31Å; N909-R913 VanDerWaalsContact O-CG 3.28Å; N909-R913 WeakPolarHBondContact O-CG 3.09Å; N909-R913 PolarHBondContact O-N 3.12Å; N909-R913 PolarHBondContact O-NH1 2.74Å; E910-R913 CarbonylContact O-C 3.55Å; E910-R913 WeakPolarHBondContact O-CA 3.36Å; E910-R913 WeakPolarHBondContact O-CB 3.48Å; E910-R913 PolarHBondContact O-N 3.26Å; R913-K916 PolarHBondContact O-N 3.4Å; R913-L917 WeakPolarHBondContact O-CB 3.46Å; R913-L917 PolarHBondContact O-N 3.46Å |
| 914 | D | 89.5 | Confident | 89.1 | Confident | 101 Ų | 101 | 104.6 Ų | 104.6 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 177.7 | -69.7 | -14.2 | 0 | 0 | 0 | 111.6 | E910 K911 L917 F918 | E910-D914 PolarHBondContact O-N 2.65Å; K911-D914 PolarHBondContact O-N 3.4Å; D914-L917 PolarHBondContact O-N 2.83Å; D914-F918 VanDerWaalsContact O-CB 3.28Å; D914-F918 WeakPolarHBondContact O-CB 3.43Å; D914-F918 PolarHBondContact O-N 3.13Å |
| 915 | Y | 88.7 | Confident | 89.6 | Confident | 161 Ų | 161 | 103.3 Ų | 103.3 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 174.5 | -177.9 | -100.3 | 0 | 0 | 0 | 111.7 | K911 L917 F918 V919 | K911-Y915 VanDerWaalsContact O-CB 3.28Å; K911-Y915 WeakPolarHBondContact O-CB 3.14Å; K911-Y915 PolarHBondContact O-N 3.23Å; Y915-L917 VanDerWaalsContact C-N 3.33Å; Y915-L917 PolarHBondContact O-N 3.4Å; Y915-F918 PolarHBondContact O-N 2.79Å; Y915-V919 HydrophobicContact CD1-CG2 4.25Å; Y915-V919 HydrophobicContact CE1-CG2 3.85Å; Y915-V919 HydrophobicContact CE2-CG2 4.28Å; Y915-V919 WeakPolarHBondContact O-CG2 3.37Å; Y915-V919 PolarHBondContact O-N 3.45Å |
| 916 | K | 93 | Very high | 89.8 | Confident | 157 Ų | 157 | 98.7 Ų | 98.7 | 68% | 0.683 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.7 | -42 | 174.7 | -73.9 | 172.5 | -176.9 | -179.9 | 0 | 111.6 | G912 R913 V919 A920 | G912-K916 VanDerWaalsContact O-CG 3.26Å; G912-K916 WeakPolarHBondContact O-CG 3.45Å; G912-K916 PolarHBondContact O-N 2.87Å; G912-K916 VanDerWaalsContact O-N 3.09Å; R913-K916 PolarHBondContact O-N 3.4Å; K916-V919 PolarHBondContact O-N 3.35Å; K916-A920 WeakPolarHBondContact O-CB 3.44Å; K916-A920 PolarHBondContact O-N 3.26Å |
| 917 | L | 92.6 | Very high | 90.1 | Very high | 100 Ų | 100 | 94.9 Ų | 94.9 | 52% | 0.524 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 175.7 | 179.1 | 60.6 | 0 | 0 | 0 | 111.4 | R913 D914 Y915 A920 L921 | R913-L917 WeakPolarHBondContact O-CB 3.46Å; R913-L917 PolarHBondContact O-N 3.46Å; D914-L917 PolarHBondContact O-N 2.83Å; Y915-L917 VanDerWaalsContact C-N 3.33Å; Y915-L917 PolarHBondContact O-N 3.4Å; L917-A920 PolarHBondContact O-N 3.06Å; L917-L921 HydrophobicContact CD1-CD1 4.24Å; L917-L921 HydrophobicContact CD1-CG 4.34Å; L917-L921 HydrophobicContact CG-CD1 4.09Å; L917-L921 WeakPolarHBondContact O-CB 3.41Å; L917-L921 WeakPolarHBondContact O-CG 3.38Å; L917-L921 PolarHBondContact O-N 3.49Å |
| 918 | F | 91.9 | Very high | 90.5 | Very high | 129 Ų | 129 | 96.6 Ų | 96.6 | 57% | 0.566 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.9 | -45.7 | 176.3 | 179.2 | -95.8 | 0 | 0 | 0 | 111.8 | D914 Y915 L921 Q922 | D914-F918 VanDerWaalsContact O-CB 3.28Å; D914-F918 WeakPolarHBondContact O-CB 3.43Å; D914-F918 PolarHBondContact O-N 3.13Å; Y915-F918 PolarHBondContact O-N 2.79Å; F918-L921 PolarHBondContact O-N 2.89Å; F918-Q922 WeakPolarHBondContact O-CB 3.24Å; F918-Q922 PolarHBondContact O-N 3.41Å |
| 919 | V | 91.8 | Very high | 90.9 | Very high | 47 Ų | 47 | 97.7 Ų | 97.7 | 29% | 0.285 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | Y915 K916 Q922 N923 | Y915-V919 HydrophobicContact CD1-CG2 4.25Å; Y915-V919 HydrophobicContact CE1-CG2 3.85Å; Y915-V919 HydrophobicContact CE2-CG2 4.28Å; Y915-V919 WeakPolarHBondContact O-CG2 3.37Å; Y915-V919 PolarHBondContact O-N 3.45Å; K916-V919 PolarHBondContact O-N 3.35Å; V919-Q922 PolarHBondContact O-N 3.34Å; V919-N923 WeakPolarHBondContact O-CB 3.38Å; V919-N923 VanDerWaalsContact O-CG 3.24Å; V919-N923 PolarHBondContact O-N 3.45Å; V919-N923 PolarHBondContact O-ND2 2.88Å |
| 920 | A | 92 | Very high | 91.3 | Very high | 42 Ų | 42 | 102.4 Ų | 102.4 | 35% | 0.347 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K916 L917 Q922 N923 D924 | K916-A920 WeakPolarHBondContact O-CB 3.44Å; K916-A920 PolarHBondContact O-N 3.26Å; L917-A920 PolarHBondContact O-N 3.06Å; A920-Q922 VanDerWaalsContact C-N 3.32Å; A920-Q922 PolarHBondContact O-N 2.87Å; A920-N923 PolarHBondContact O-N 3.09Å; A920-D924 WeakPolarHBondContact O-CB 3.18Å; A920-D924 VanDerWaalsContact O-CG 3.31Å; A920-D924 PolarHBondContact O-N 3.21Å |
| 921 | L | 91.2 | Very high | 91.4 | Very high | 101 Ų | 101 | 104.5 Ų | 104.5 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -36.9 | 175.9 | -76.4 | 169.5 | 0 | 0 | 0 | 112.6 | L917 F918 H925 | L917-L921 HydrophobicContact CD1-CD1 4.24Å; L917-L921 HydrophobicContact CD1-CG 4.34Å; L917-L921 HydrophobicContact CG-CD1 4.09Å; L917-L921 WeakPolarHBondContact O-CB 3.41Å; L917-L921 WeakPolarHBondContact O-CG 3.38Å; L917-L921 PolarHBondContact O-N 3.49Å; F918-L921 PolarHBondContact O-N 2.89Å; L921-H925 VanDerWaalsContact O-CB 3.22Å; L921-H925 WeakPolarHBondContact O-CB 3.22Å; L921-H925 PolarHBondContact O-N 3.38Å |
| 922 | Q | 92.4 | Very high | 91.7 | Very high | 115 Ų | 115 | 105 Ų | 105 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 175.6 | -173.3 | 176.7 | -3.8 | 0 | 0 | 111.5 | F918 V919 A920 H925 G926 | F918-Q922 WeakPolarHBondContact O-CB 3.24Å; F918-Q922 PolarHBondContact O-N 3.41Å; V919-Q922 PolarHBondContact O-N 3.34Å; A920-Q922 VanDerWaalsContact C-N 3.32Å; A920-Q922 PolarHBondContact O-N 2.87Å; Q922-H925 PolarHBondContact O-N 3.37Å; Q922-G926 PolarHBondContact O-N 2.83Å |
| 923 | N | 90.9 | Very high | 92 | Very high | 100 Ų | 100 | 107.2 Ų | 107.2 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 174.8 | -72.4 | -18.3 | 0 | 0 | 0 | 111.6 | V919 A920 G926 A927 | V919-N923 WeakPolarHBondContact O-CB 3.38Å; V919-N923 VanDerWaalsContact O-CG 3.24Å; V919-N923 PolarHBondContact O-N 3.45Å; V919-N923 PolarHBondContact O-ND2 2.88Å; A920-N923 PolarHBondContact O-N 3.09Å; N923-G926 CarbonylContact O-C 3.59Å; N923-G926 PolarHBondContact O-N 3.34Å; N923-A927 WeakPolarHBondContact O-CB 3.09Å; N923-A927 PolarHBondContact O-N 3.29Å |
| 924 | D | 92.5 | Very high | 92.4 | Very high | 104 Ų | 104 | 103.5 Ų | 103.5 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 175.9 | -72.4 | -13.6 | 0 | 0 | 0 | 111.3 | A920 G926 A927 L928 | A920-D924 WeakPolarHBondContact O-CB 3.18Å; A920-D924 VanDerWaalsContact O-CG 3.31Å; A920-D924 PolarHBondContact O-N 3.21Å; D924-G926 VanDerWaalsContact C-N 3.32Å; D924-G926 PolarHBondContact O-N 2.83Å; D924-A927 PolarHBondContact O-N 3.45Å; D924-L928 VanDerWaalsContact O-CB 3.25Å; D924-L928 WeakPolarHBondContact O-CB 3.19Å; D924-L928 PolarHBondContact O-N 3.48Å |
| 925 | H | 89.7 | Confident | 92.6 | Very high | 126 Ų | 126 | 104.3 Ų | 104.3 | 58% | 0.583 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.1 | -42.5 | 173.1 | -176.1 | 75.5 | 0 | 0 | 0 | 111.3 | L921 Q922 L928 K929 | L921-H925 VanDerWaalsContact O-CB 3.22Å; L921-H925 WeakPolarHBondContact O-CB 3.22Å; L921-H925 PolarHBondContact O-N 3.38Å; Q922-H925 PolarHBondContact O-N 3.37Å; H925-L928 PolarHBondContact O-N 3.48Å; H925-K929 VanDerWaalsContact O-CB 3.31Å; H925-K929 WeakPolarHBondContact O-CB 3.32Å; H925-K929 PolarHBondContact O-N 3.43Å |
| 926 | G | 92 | Very high | 92.9 | Very high | 27 Ų | 27 | 100.6 Ų | 100.6 | 28% | 0.278 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q922 N923 D924 R930 | Q922-G926 PolarHBondContact O-N 2.83Å; N923-G926 CarbonylContact O-C 3.59Å; N923-G926 PolarHBondContact O-N 3.34Å; D924-G926 VanDerWaalsContact C-N 3.32Å; D924-G926 PolarHBondContact O-N 2.83Å; G926-R930 WeakPolarHBondContact O-CG 3.23Å; G926-R930 PolarHBondContact O-N 3.38Å |
| 927 | A | 92.7 | Very high | 92.9 | Very high | 33 Ų | 33 | 96.2 Ų | 96.2 | 27% | 0.273 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N923 D924 K929 R930 M931 | N923-A927 WeakPolarHBondContact O-CB 3.09Å; N923-A927 PolarHBondContact O-N 3.29Å; D924-A927 PolarHBondContact O-N 3.45Å; A927-K929 VanDerWaalsContact C-N 3.33Å; A927-K929 PolarHBondContact O-N 3.41Å; A927-R930 PolarHBondContact O-N 2.8Å; A927-M931 WeakPolarHBondContact O-CG 3.45Å; A927-M931 PolarHBondContact O-N 3.14Å |
| 928 | L | 94.4 | Very high | 93.1 | Very high | 117 Ų | 117 | 99.1 Ų | 99.1 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.1 | -40.1 | 177.6 | -173.3 | 62.3 | 0 | 0 | 0 | 111.5 | D924 H925 M931 H932 | D924-L928 VanDerWaalsContact O-CB 3.25Å; D924-L928 WeakPolarHBondContact O-CB 3.19Å; D924-L928 PolarHBondContact O-N 3.48Å; H925-L928 PolarHBondContact O-N 3.48Å; L928-M931 PolarHBondContact O-N 2.91Å; L928-H932 WeakPolarHBondContact O-CB 3.31Å; L928-H932 PolarHBondContact O-N 3.19Å |
| 929 | K | 95.7 | Very high | 93.2 | Very high | 138 Ų | 138 | 100 Ų | 100 | 60% | 0.6 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 174.2 | -170.2 | 174.6 | -177.6 | 178.1 | 0 | 111.7 | H925 A927 H932 T933 | H925-K929 VanDerWaalsContact O-CB 3.31Å; H925-K929 WeakPolarHBondContact O-CB 3.32Å; H925-K929 PolarHBondContact O-N 3.43Å; A927-K929 VanDerWaalsContact C-N 3.33Å; A927-K929 PolarHBondContact O-N 3.41Å; K929-H932 PolarHBondContact O-N 3.45Å; K929-T933 WeakPolarHBondContact O-CG2 3.43Å; K929-T933 PolarHBondContact O-N 3.37Å; K929-T933 PolarHBondContact O-OG1 2.84Å |
| 930 | R | 93.3 | Very high | 93.3 | Very high | 178 Ų | 178 | 101.3 Ų | 101.3 | 67% | 0.672 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.2 | -43.9 | 175.1 | -75.8 | -175.5 | -68.1 | -175.8 | 0.3 | 112.1 | G926 A927 T933 S934 | G926-R930 WeakPolarHBondContact O-CG 3.23Å; G926-R930 PolarHBondContact O-N 3.38Å; A927-R930 PolarHBondContact O-N 2.8Å; R930-T933 WeakPolarHBondContact CA-OG1 3.23Å; R930-T933 PolarHBondContact O-N 2.85Å; R930-T933 PolarHBondContact O-OG1 3.29Å; R930-S934 WeakPolarHBondContact O-CB 3.35Å; R930-S934 PolarHBondContact O-N 2.85Å |
| 931 | M | 92.9 | Very high | 93.5 | Very high | 126 Ų | 126 | 103.9 Ų | 103.9 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.4 | -42.5 | 175.3 | -73.6 | -164.2 | -177.7 | 0 | 0 | 111.6 | A927 L928 S934 L935 | A927-M931 WeakPolarHBondContact O-CG 3.45Å; A927-M931 PolarHBondContact O-N 3.14Å; L928-M931 PolarHBondContact O-N 2.91Å; M931-S934 PolarHBondContact O-N 3.31Å; M931-L935 WeakPolarHBondContact O-CB 3.45Å; M931-L935 WeakPolarHBondContact O-CG 3.5Å; M931-L935 PolarHBondContact O-N 2.93Å |
| 932 | H | 92.9 | Very high | 93.6 | Very high | 125 Ų | 125 | 103.5 Ų | 103.5 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.9 | -45.2 | 175.8 | -175.9 | 65.6 | 0 | 0 | 0 | 111.4 | L928 K929 S934 L935 Q936 | L928-H932 WeakPolarHBondContact O-CB 3.31Å; L928-H932 PolarHBondContact O-N 3.19Å; K929-H932 PolarHBondContact O-N 3.45Å; H932-S934 VanDerWaalsContact C-N 3.35Å; H932-S934 PolarHBondContact O-N 3.37Å; H932-L935 PolarHBondContact O-N 2.83Å; H932-Q936 VanDerWaalsContact O-CB 3.26Å; H932-Q936 WeakPolarHBondContact O-CB 3.29Å; H932-Q936 PolarHBondContact O-N 2.82Å |
| 933 | T | 93.9 | Very high | 93.7 | Very high | 75 Ų | 75 | 100.8 Ų | 100.8 | 46% | 0.46 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 175.1 | 50.8 | 0 | 0 | 0 | 0 | 112.2 | K929 R930 Q936 T937 | K929-T933 WeakPolarHBondContact O-CG2 3.43Å; K929-T933 PolarHBondContact O-N 3.37Å; K929-T933 PolarHBondContact O-OG1 2.84Å; R930-T933 WeakPolarHBondContact CA-OG1 3.23Å; R930-T933 PolarHBondContact O-N 2.85Å; R930-T933 PolarHBondContact O-OG1 3.29Å; T933-Q936 PolarHBondContact O-N 3.26Å; T933-T937 WeakPolarHBondContact O-CG2 3.31Å; T933-T937 PolarHBondContact O-N 2.86Å; T933-T937 PolarHBondContact O-OG1 3.28Å |
| 934 | S | 95.4 | Very high | 93.8 | Very high | 72 Ų | 72 | 102.8 Ų | 102.8 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.6 | -38.2 | 178.1 | 177.3 | 0 | 0 | 0 | 0 | 112.6 | R930 M931 H932 T937 R938 | R930-S934 WeakPolarHBondContact O-CB 3.35Å; R930-S934 PolarHBondContact O-N 2.85Å; M931-S934 PolarHBondContact O-N 3.31Å; H932-S934 VanDerWaalsContact C-N 3.35Å; H932-S934 PolarHBondContact O-N 3.37Å; S934-T937 WeakPolarHBondContact CA-OG1 3.26Å; S934-T937 PolarHBondContact O-OG1 3.5Å; S934-R938 WeakPolarHBondContact O-CB 3.15Å; S934-R938 PolarHBondContact O-N 3.26Å |
| 935 | L | 94.8 | Very high | 93.9 | Very high | 118 Ų | 118 | 103.1 Ų | 103.1 | 62% | 0.618 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.5 | -38.6 | 173.1 | -77.9 | 171.5 | 0 | 0 | 0 | 111.3 | M931 H932 R938 Y939 | M931-L935 WeakPolarHBondContact O-CB 3.45Å; M931-L935 WeakPolarHBondContact O-CG 3.5Å; M931-L935 PolarHBondContact O-N 2.93Å; H932-L935 PolarHBondContact O-N 2.83Å; L935-R938 PolarHBondContact O-N 2.88Å; L935-Y939 VanDerWaalsContact O-CB 3.29Å; L935-Y939 WeakPolarHBondContact O-CB 3.4Å; L935-Y939 PolarHBondContact O-N 3.47Å |
| 936 | Q | 95.2 | Very high | 94 | Very high | 82 Ų | 82 | 103.2 Ų | 103.2 | 38% | 0.383 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 176.3 | -176.6 | 62.4 | 22.3 | 0 | 0 | 111.5 | H932 T933 R938 Y939 E940 | H932-Q936 VanDerWaalsContact O-CB 3.26Å; H932-Q936 WeakPolarHBondContact O-CB 3.29Å; H932-Q936 PolarHBondContact O-N 2.82Å; T933-Q936 PolarHBondContact O-N 3.26Å; Q936-R938 VanDerWaalsContact C-N 3.33Å; Q936-R938 PolarHBondContact O-N 3.35Å; Q936-Y939 WeakPolarHBondContact O-CB 3.45Å; Q936-Y939 PolarHBondContact O-N 2.88Å; Q936-E940 PolarHBondContact NE2-OE1 2.8Å; Q936-E940 WeakPolarHBondContact O-CG 3.45Å; Q936-E940 PolarHBondContact O-N 3.31Å |
| 937 | T | 93.2 | Very high | 94.1 | Very high | 65 Ų | 65 | 103.5 Ų | 103.5 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 175.8 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | T933 S934 Y939 E940 E941 | T933-T937 WeakPolarHBondContact O-CG2 3.31Å; T933-T937 PolarHBondContact O-N 2.86Å; T933-T937 PolarHBondContact O-OG1 3.28Å; S934-T937 WeakPolarHBondContact CA-OG1 3.26Å; S934-T937 PolarHBondContact O-OG1 3.5Å; T937-Y939 VanDerWaalsContact C-N 3.35Å; T937-Y939 PolarHBondContact O-N 3.32Å; T937-E940 WeakPolarHBondContact O-CB 3.39Å; T937-E940 PolarHBondContact O-N 3.04Å; T937-E941 VanDerWaalsContact O-CG 3.32Å; T937-E941 WeakPolarHBondContact O-CG 3.34Å; T937-E941 PolarHBondContact O-N 3.32Å |
| 938 | R | 95.9 | Very high | 94.1 | Very high | 162 Ų | 162 | 108 Ų | 108 | 61% | 0.611 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.2 | -36.9 | 177.1 | -167.2 | 164.9 | -176.3 | -164.7 | 0.2 | 112.5 | S934 L935 Q936 E940 E941 I942 | S934-R938 WeakPolarHBondContact O-CB 3.15Å; S934-R938 PolarHBondContact O-N 3.26Å; L935-R938 PolarHBondContact O-N 2.88Å; Q936-R938 VanDerWaalsContact C-N 3.33Å; Q936-R938 PolarHBondContact O-N 3.35Å; R938-E940 VanDerWaalsContact C-N 3.35Å; R938-E941 PolarHBondContact O-N 3.34Å; R938-I942 HydrophobicContact CG-CD1 4.17Å; R938-I942 WeakPolarHBondContact O-CB 3.49Å; R938-I942 WeakPolarHBondContact O-CD1 3.23Å; R938-I942 WeakPolarHBondContact O-CG1 3.48Å; R938-I942 PolarHBondContact O-N 3.05Å |
| 939 | Y | 94.4 | Very high | 94 | Very high | 147 Ų | 147 | 107.9 Ų | 107.9 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62 | -43.5 | 172.4 | 177.5 | -95.3 | 0 | 0 | 0 | 111.3 | L935 Q936 T937 I942 C943 | L935-Y939 VanDerWaalsContact O-CB 3.29Å; L935-Y939 WeakPolarHBondContact O-CB 3.4Å; L935-Y939 PolarHBondContact O-N 3.47Å; Q936-Y939 WeakPolarHBondContact O-CB 3.45Å; Q936-Y939 PolarHBondContact O-N 2.88Å; T937-Y939 VanDerWaalsContact C-N 3.35Å; T937-Y939 PolarHBondContact O-N 3.32Å; Y939-I942 PolarHBondContact O-N 3.43Å; Y939-C943 WeakPolarHBondContact O-CB 3.41Å; Y939-C943 PolarHBondContact O-N 3.47Å; Y939-C943 PolarHBondContact O-SG 3.24Å |
| 940 | E | 94.5 | Very high | 93.9 | Very high | 74 Ų | 74 | 105.9 Ų | 105.9 | 35% | 0.346 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 175.8 | -70.3 | 174.7 | -161.8 | 0 | 0 | 112.8 | Q936 T937 R938 C943 R944 | Q936-E940 PolarHBondContact NE2-OE1 2.8Å; Q936-E940 WeakPolarHBondContact O-CG 3.45Å; Q936-E940 PolarHBondContact O-N 3.31Å; T937-E940 WeakPolarHBondContact O-CB 3.39Å; T937-E940 PolarHBondContact O-N 3.04Å; R938-E940 VanDerWaalsContact C-N 3.35Å; E940-C943 WeakPolarHBondContact O-CB 3.26Å; E940-C943 PolarHBondContact O-N 2.92Å; E940-R944 WeakPolarHBondContact O-CG 3.31Å; E940-R944 PolarHBondContact O-N 2.9Å; E940-R944 PolarHBondContact O-NH1 3.34Å; E940-R944 IonicContact OE2-NH2 2.59Å; E940-R944 PolarHBondContact OE2-NH2 2.88Å |
| 941 | E | 95.2 | Very high | 93.8 | Very high | 96 Ų | 96 | 104 Ų | 104 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 173 | -74.1 | 162 | -169.8 | 0 | 0 | 111.2 | T937 R938 C943 R944 E945 | T937-E941 VanDerWaalsContact O-CG 3.32Å; T937-E941 WeakPolarHBondContact O-CG 3.34Å; T937-E941 PolarHBondContact O-N 3.32Å; R938-E941 PolarHBondContact O-N 3.34Å; E941-C943 PolarHBondContact O-N 2.86Å; E941-R944 CarbonylContact O-C 3.52Å; E941-R944 WeakPolarHBondContact O-CB 3.32Å; E941-R944 PolarHBondContact O-N 3.45Å; E941-E945 WeakPolarHBondContact O-CG 3.48Å; E941-E945 PolarHBondContact O-N 3.41Å |
| 942 | I | 93.4 | Very high | 93.8 | Very high | 93 Ų | 93 | 102.4 Ų | 102.4 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 175.6 | -69.3 | 165.9 | 0 | 0 | 0 | 110.8 | R938 Y939 K946 | R938-I942 HydrophobicContact CG-CD1 4.17Å; R938-I942 WeakPolarHBondContact O-CB 3.49Å; R938-I942 WeakPolarHBondContact O-CD1 3.23Å; R938-I942 WeakPolarHBondContact O-CG1 3.48Å; R938-I942 PolarHBondContact O-N 3.05Å; Y939-I942 PolarHBondContact O-N 3.43Å; I942-K946 VanDerWaalsContact O-CB 3.23Å; I942-K946 WeakPolarHBondContact O-CB 3.26Å; I942-K946 PolarHBondContact O-N 3.42Å |
| 943 | C | 93.9 | Very high | 93.7 | Very high | 58 Ų | 58 | 100.4 Ų | 100.4 | 39% | 0.392 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 175 | -70.9 | 0 | 0 | 0 | 0 | 112.3 | Y939 E940 E941 G947 | Y939-C943 WeakPolarHBondContact O-CB 3.41Å; Y939-C943 PolarHBondContact O-N 3.47Å; Y939-C943 PolarHBondContact O-SG 3.24Å; E940-C943 WeakPolarHBondContact O-CB 3.26Å; E940-C943 PolarHBondContact O-N 2.92Å; E941-C943 PolarHBondContact O-N 2.86Å; C943-G947 PolarHBondContact O-N 2.82Å |
| 944 | R | 93.7 | Very high | 93.7 | Very high | 143 Ų | 143 | 105 Ų | 105 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 175 | -73.2 | -176.3 | -158.6 | 88.3 | 5.3 | 111.3 | E940 E941 K946 G947 M948 | E940-R944 WeakPolarHBondContact O-CG 3.31Å; E940-R944 PolarHBondContact O-N 2.9Å; E940-R944 PolarHBondContact O-NH1 3.34Å; E940-R944 IonicContact OE2-NH2 2.59Å; E940-R944 PolarHBondContact OE2-NH2 2.88Å; E941-R944 CarbonylContact O-C 3.52Å; E941-R944 WeakPolarHBondContact O-CB 3.32Å; E941-R944 PolarHBondContact O-N 3.45Å; R944-K946 PolarHBondContact O-N 3.35Å; R944-G947 CarbonylContact O-C 3.39Å; R944-G947 WeakPolarHBondContact O-CA 3.29Å; R944-G947 PolarHBondContact O-N 2.82Å; R944-G947 VanDerWaalsContact O-N 3.07Å; R944-M948 WeakPolarHBondContact O-CG 3.33Å; R944-M948 PolarHBondContact O-N 3.35Å |
| 945 | E | 95.1 | Very high | 93.6 | Very high | 111 Ų | 111 | 107.4 Ų | 107.4 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 177.1 | -73.8 | 177.9 | 179.1 | 0 | 0 | 111.5 | E941 G947 M948 L949 | E941-E945 WeakPolarHBondContact O-CG 3.48Å; E941-E945 PolarHBondContact O-N 3.41Å; E945-G947 VanDerWaalsContact C-N 3.28Å; E945-G947 PolarHBondContact O-N 2.84Å; E945-M948 PolarHBondContact O-N 2.78Å; E945-L949 WeakPolarHBondContact O-CB 3.34Å; E945-L949 VanDerWaalsContact O-CG 3.31Å; E945-L949 WeakPolarHBondContact O-CG 3.47Å; E945-L949 PolarHBondContact O-N 2.74Å |
| 946 | K | 92 | Very high | 93.6 | Very high | 127 Ų | 127 | 105.9 Ų | 105.9 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.3 | -42.7 | 173.6 | -179.9 | -176.7 | 174.8 | -175.7 | 0 | 111.4 | I942 R944 Q950 | I942-K946 VanDerWaalsContact O-CB 3.23Å; I942-K946 WeakPolarHBondContact O-CB 3.26Å; I942-K946 PolarHBondContact O-N 3.42Å; R944-K946 PolarHBondContact O-N 3.35Å; K946-Q950 WeakPolarHBondContact O-CB 3.44Å; K946-Q950 VanDerWaalsContact O-CG 3.22Å; K946-Q950 WeakPolarHBondContact O-CG 3.25Å; K946-Q950 PolarHBondContact O-N 2.67Å |
| 947 | G | 94.1 | Very high | 93.6 | Very high | 34 Ų | 34 | 109.7 Ų | 109.7 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C943 R944 E945 Q950 Q951 | C943-G947 PolarHBondContact O-N 2.82Å; R944-G947 CarbonylContact O-C 3.39Å; R944-G947 WeakPolarHBondContact O-CA 3.29Å; R944-G947 PolarHBondContact O-N 2.82Å; R944-G947 VanDerWaalsContact O-N 3.07Å; E945-G947 VanDerWaalsContact C-N 3.28Å; E945-G947 PolarHBondContact O-N 2.84Å; G947-Q950 PolarHBondContact O-N 3.27Å; G947-Q951 PolarHBondContact O-N 2.61Å |
| 948 | M | 92.6 | Very high | 93.5 | Very high | 128 Ų | 128 | 110.6 Ų | 110.6 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.4 | -45.2 | 177.8 | -64.5 | -151.3 | -55.2 | 0 | 0 | 111.9 | R944 E945 Q950 Q951 E952 | R944-M948 WeakPolarHBondContact O-CG 3.33Å; R944-M948 PolarHBondContact O-N 3.35Å; E945-M948 PolarHBondContact O-N 2.78Å; M948-Q950 VanDerWaalsContact C-N 3.28Å; M948-Q950 PolarHBondContact O-N 2.65Å; M948-Q951 WeakPolarHBondContact O-CB 3.15Å; M948-Q951 PolarHBondContact O-N 2.66Å; M948-Q951 VanDerWaalsContact O-N 3.1Å; M948-E952 WeakPolarHBondContact O-CB 3.31Å; M948-E952 PolarHBondContact O-N 3.5Å |
| 949 | L | 92.2 | Very high | 93.4 | Very high | 114 Ų | 114 | 107.7 Ų | 107.7 | 60% | 0.597 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.6 | -38.7 | 175.6 | -73.1 | 173.3 | 0 | 0 | 0 | 111.6 | E945 N953 | E945-L949 WeakPolarHBondContact O-CB 3.34Å; E945-L949 VanDerWaalsContact O-CG 3.31Å; E945-L949 WeakPolarHBondContact O-CG 3.47Å; E945-L949 PolarHBondContact O-N 2.74Å; L949-N953 WeakPolarHBondContact O-CB 3.34Å; L949-N953 PolarHBondContact O-N 2.66Å |
| 950 | Q | 92.7 | Very high | 93.3 | Very high | 96 Ų | 96 | 105.5 Ų | 105.5 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 173.9 | -76.9 | 178.8 | -5.3 | 0 | 0 | 112.3 | K946 G947 M948 R954 | K946-Q950 WeakPolarHBondContact O-CB 3.44Å; K946-Q950 VanDerWaalsContact O-CG 3.22Å; K946-Q950 WeakPolarHBondContact O-CG 3.25Å; K946-Q950 PolarHBondContact O-N 2.67Å; G947-Q950 PolarHBondContact O-N 3.27Å; M948-Q950 VanDerWaalsContact C-N 3.28Å; M948-Q950 PolarHBondContact O-N 2.65Å; Q950-R954 WeakPolarHBondContact O-CG 3.49Å; Q950-R954 PolarHBondContact O-N 2.63Å; Q950-R954 VanDerWaalsContact O-N 3.09Å |
| 951 | Q | 92.3 | Very high | 93.2 | Very high | 139 Ų | 139 | 106.2 Ų | 106.2 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.4 | -44 | 175.9 | -175.7 | 176.6 | 12 | 0 | 0 | 111.6 | G947 M948 R954 R955 | G947-Q951 PolarHBondContact O-N 2.61Å; M948-Q951 WeakPolarHBondContact O-CB 3.15Å; M948-Q951 PolarHBondContact O-N 2.66Å; M948-Q951 VanDerWaalsContact O-N 3.1Å; Q951-R954 WeakPolarHBondContact O-CB 3.48Å; Q951-R954 PolarHBondContact O-N 2.66Å; Q951-R955 PolarHBondContact O-N 2.85Å |
| 952 | E | 92.5 | Very high | 93.1 | Very high | 91 Ų | 91 | 103 Ų | 103 | 43% | 0.425 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 177 | -176.8 | 145.4 | -135.9 | 0 | 0 | 111.8 | M948 R954 R955 L956 | M948-E952 WeakPolarHBondContact O-CB 3.31Å; M948-E952 PolarHBondContact O-N 3.5Å; E952-R954 VanDerWaalsContact C-N 3.29Å; E952-R954 PolarHBondContact O-N 3.22Å; E952-R955 WeakPolarHBondContact O-CB 3.48Å; E952-R955 PolarHBondContact O-N 3.46Å; E952-R955 VanDerWaalsContact O-N 3.13Å; E952-R955 IonicContact OE1-NH2 3.81Å; E952-R955 PolarHBondContact OE1-NH2 2.82Å; E952-L956 HydrophobicContact CG-CD1 4.04Å; E952-L956 HydrophobicContact CG-CG 4.25Å; E952-L956 WeakPolarHBondContact O-CB 3.46Å; E952-L956 WeakPolarHBondContact O-CG 3.46Å; E952-L956 PolarHBondContact O-N 3.37Å |
| 953 | N | 90.8 | Very high | 93 | Very high | 84 Ų | 84 | 100 Ų | 100 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 173.9 | -142.4 | -71.8 | 0 | 0 | 0 | 111.6 | L949 R957 | L949-N953 WeakPolarHBondContact O-CB 3.34Å; L949-N953 PolarHBondContact O-N 2.66Å; N953-R957 WeakPolarHBondContact O-CB 3.31Å; N953-R957 WeakPolarHBondContact O-CG 3.26Å; N953-R957 PolarHBondContact O-N 2.71Å; N953-R957 PolarHBondContact OD1-NE 2.85Å; N953-R957 VanDerWaalsContact OD1-NE 3.07Å |
| 954 | R | 94.2 | Very high | 93 | Very high | 171 Ų | 171 | 102.5 Ų | 102.5 | 65% | 0.645 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.1 | -40.3 | 173.4 | -70.3 | 172.8 | -169.7 | 167.8 | 4.7 | 111.9 | Q950 Q951 E952 S958 | Q950-R954 WeakPolarHBondContact O-CG 3.49Å; Q950-R954 PolarHBondContact O-N 2.63Å; Q950-R954 VanDerWaalsContact O-N 3.09Å; Q951-R954 WeakPolarHBondContact O-CB 3.48Å; Q951-R954 PolarHBondContact O-N 2.66Å; E952-R954 VanDerWaalsContact C-N 3.29Å; E952-R954 PolarHBondContact O-N 3.22Å; R954-S958 PolarHBondContact O-N 3.16Å; R954-S958 PolarHBondContact O-OG 2.76Å |
| 955 | R | 93.8 | Very high | 92.9 | Very high | 122 Ų | 122 | 100.4 Ų | 100.4 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -53.6 | 175.9 | -176 | -178 | 72.7 | 101.2 | -7.7 | 111.1 | Q951 E952 R957 S958 E959 | Q951-R955 PolarHBondContact O-N 2.85Å; E952-R955 WeakPolarHBondContact O-CB 3.48Å; E952-R955 PolarHBondContact O-N 3.46Å; E952-R955 VanDerWaalsContact O-N 3.13Å; E952-R955 IonicContact OE1-NH2 3.81Å; E952-R955 PolarHBondContact OE1-NH2 2.82Å; R955-R957 VanDerWaalsContact C-N 3.31Å; R955-R957 PolarHBondContact O-N 3.45Å; R955-S958 WeakPolarHBondContact O-CA 3.29Å; R955-S958 WeakPolarHBondContact O-CB 3.24Å; R955-S958 PolarHBondContact O-N 3.39Å; R955-E959 WeakPolarHBondContact CG-OE1 3.2Å; R955-E959 IonicContact CZ-OE1 3.59Å; R955-E959 IonicContact NE-OE1 2.71Å; R955-E959 IonicContact NH1-OE1 3.83Å; R955-E959 PolarHBondContact NH1-OE1 3.47Å; R955-E959 IonicContact NH1-OE2 2.8Å; R955-E959 PolarHBondContact NH1-OE2 3.47Å; R955-E959 PolarHBondContact O-N 3.3Å |
| 956 | L | 94.6 | Very high | 92.9 | Very high | 87 Ų | 87 | 102.4 Ų | 102.4 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 179.6 | -70.6 | 174.2 | 0 | 0 | 0 | 112.1 | E952 S958 E959 L960 | E952-L956 HydrophobicContact CG-CD1 4.04Å; E952-L956 HydrophobicContact CG-CG 4.25Å; E952-L956 WeakPolarHBondContact O-CB 3.46Å; E952-L956 WeakPolarHBondContact O-CG 3.46Å; E952-L956 PolarHBondContact O-N 3.37Å; L956-S958 VanDerWaalsContact C-N 3.34Å; L956-S958 PolarHBondContact O-N 3.45Å; L956-E959 PolarHBondContact O-N 2.79Å; L956-L960 VanDerWaalsContact O-CB 3.28Å; L956-L960 WeakPolarHBondContact O-CB 3.27Å; L956-L960 PolarHBondContact O-N 2.94Å |
| 957 | R | 94.8 | Very high | 92.9 | Very high | 162 Ų | 162 | 100.6 Ų | 100.6 | 61% | 0.611 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.3 | -39 | 173 | -74.8 | 174.7 | -174.6 | -145.7 | -3.3 | 112.5 | N953 R955 N961 | N953-R957 WeakPolarHBondContact O-CB 3.31Å; N953-R957 WeakPolarHBondContact O-CG 3.26Å; N953-R957 PolarHBondContact O-N 2.71Å; N953-R957 PolarHBondContact OD1-NE 2.85Å; N953-R957 VanDerWaalsContact OD1-NE 3.07Å; R955-R957 VanDerWaalsContact C-N 3.31Å; R955-R957 PolarHBondContact O-N 3.45Å; R957-N961 WeakPolarHBondContact O-CB 3.37Å; R957-N961 PolarHBondContact O-N 2.7Å; R957-N961 PolarHBondContact O-ND2 2.84Å; R957-N961 PolarHBondContact O-OD1 2.75Å |
| 958 | S | 90.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 102.5 Ų | 102.5 | 58% | 0.58 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.3 | -40.1 | 177.6 | -55 | 0 | 0 | 0 | 0 | 111.6 | R954 R955 L956 G962 | R954-S958 PolarHBondContact O-N 3.16Å; R954-S958 PolarHBondContact O-OG 2.76Å; R955-S958 WeakPolarHBondContact O-CA 3.29Å; R955-S958 WeakPolarHBondContact O-CB 3.24Å; R955-S958 PolarHBondContact O-N 3.39Å; L956-S958 VanDerWaalsContact C-N 3.34Å; L956-S958 PolarHBondContact O-N 3.45Å; S958-G962 PolarHBondContact O-N 2.86Å |
| 959 | E | 93.4 | Very high | 92.8 | Very high | 101 Ų | 101 | 101.3 Ų | 101.3 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 174.1 | -72.6 | 173.5 | -172.1 | 0 | 0 | 111.9 | R955 L956 G962 G963 | R955-E959 WeakPolarHBondContact CG-OE1 3.2Å; R955-E959 IonicContact CZ-OE1 3.59Å; R955-E959 IonicContact NE-OE1 2.71Å; R955-E959 IonicContact NH1-OE1 3.83Å; R955-E959 PolarHBondContact NH1-OE1 3.47Å; R955-E959 IonicContact NH1-OE2 2.8Å; R955-E959 PolarHBondContact NH1-OE2 3.47Å; R955-E959 PolarHBondContact O-N 3.3Å; L956-E959 PolarHBondContact O-N 2.79Å; E959-G962 PolarHBondContact O-N 3.29Å; E959-G963 PolarHBondContact O-N 3.42Å |
| 960 | L | 93.5 | Very high | 92.7 | Very high | 102 Ų | 102 | 98.6 Ų | 98.6 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -52.6 | 174.7 | 180 | 66.2 | 0 | 0 | 0 | 111.1 | L956 G962 G963 E964 | L956-L960 VanDerWaalsContact O-CB 3.28Å; L956-L960 WeakPolarHBondContact O-CB 3.27Å; L956-L960 PolarHBondContact O-N 2.94Å; L960-G962 VanDerWaalsContact C-N 3.26Å; L960-G962 PolarHBondContact O-N 2.87Å; L960-G963 CarbonylContact O-C 3.59Å; L960-G963 WeakPolarHBondContact O-CA 3.45Å; L960-G963 PolarHBondContact O-N 3.44Å; L960-E964 WeakPolarHBondContact O-CG 3.49Å; L960-E964 PolarHBondContact O-N 2.98Å |
| 961 | N | 91.6 | Very high | 92.8 | Very high | 89 Ų | 89 | 99 Ų | 99 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 177.6 | -67.7 | -11.1 | 0 | 0 | 0 | 111.3 | R957 E964 L965 | R957-N961 WeakPolarHBondContact O-CB 3.37Å; R957-N961 PolarHBondContact O-N 2.7Å; R957-N961 PolarHBondContact O-ND2 2.84Å; R957-N961 PolarHBondContact O-OD1 2.75Å; N961-E964 PolarHBondContact O-N 2.74Å; N961-L965 WeakPolarHBondContact O-CB 3.24Å; N961-L965 PolarHBondContact O-N 2.9Å |
| 962 | G | 92.2 | Very high | 92.8 | Very high | 28 Ų | 28 | 96.2 Ų | 96.2 | 29% | 0.289 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S958 E959 L960 K966 | S958-G962 PolarHBondContact O-N 2.86Å; E959-G962 PolarHBondContact O-N 3.29Å; L960-G962 VanDerWaalsContact C-N 3.26Å; L960-G962 PolarHBondContact O-N 2.87Å; G962-K966 WeakPolarHBondContact O-CG 3.49Å; G962-K966 PolarHBondContact O-N 3.18Å |
| 963 | G | 91.5 | Very high | 92.9 | Very high | 31 Ų | 31 | 98.9 Ų | 98.9 | 32% | 0.32 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -47.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E959 L960 L965 K966 V967 | E959-G963 PolarHBondContact O-N 3.42Å; L960-G963 CarbonylContact O-C 3.59Å; L960-G963 WeakPolarHBondContact O-CA 3.45Å; L960-G963 PolarHBondContact O-N 3.44Å; G963-L965 VanDerWaalsContact C-N 3.31Å; G963-L965 PolarHBondContact O-N 2.78Å; G963-K966 PolarHBondContact O-N 2.93Å; G963-K966 VanDerWaalsContact O-N 3.11Å; G963-V967 WeakPolarHBondContact O-CG2 3.29Å; G963-V967 PolarHBondContact O-N 2.73Å |
| 964 | E | 94.9 | Very high | 93 | Very high | 109 Ų | 109 | 99.5 Ų | 99.5 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59 | -40.9 | 175.7 | -70.1 | 176.8 | 166.3 | 0 | 0 | 111.8 | L960 N961 V967 T968 | L960-E964 WeakPolarHBondContact O-CG 3.49Å; L960-E964 PolarHBondContact O-N 2.98Å; N961-E964 PolarHBondContact O-N 2.74Å; E964-V967 PolarHBondContact O-N 2.86Å; E964-T968 WeakPolarHBondContact O-CB 3.48Å; E964-T968 WeakPolarHBondContact O-CG2 3.46Å; E964-T968 PolarHBondContact O-N 3.18Å; E964-T968 PolarHBondContact O-OG1 2.67Å |
| 965 | L | 91.9 | Very high | 93 | Very high | 100 Ų | 100 | 97 Ų | 97 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 172.6 | -95 | 149.8 | 0 | 0 | 0 | 112.8 | N961 G963 T968 Q969 | N961-L965 WeakPolarHBondContact O-CB 3.24Å; N961-L965 PolarHBondContact O-N 2.9Å; G963-L965 VanDerWaalsContact C-N 3.31Å; G963-L965 PolarHBondContact O-N 2.78Å; L965-T968 VanDerWaalsContact CA-OG1 3.28Å; L965-T968 WeakPolarHBondContact CA-OG1 3.26Å; L965-T968 PolarHBondContact O-OG1 2.8Å; L965-Q969 WeakPolarHBondContact O-CB 3.45Å; L965-Q969 WeakPolarHBondContact O-CG 3.38Å; L965-Q969 PolarHBondContact O-N 2.67Å |
| 966 | K | 93.5 | Very high | 93 | Very high | 153 Ų | 153 | 95.2 Ų | 95.2 | 67% | 0.665 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.6 | -40.5 | 176.2 | -74 | 172.9 | -177.1 | 177.9 | 0 | 111.9 | G962 G963 Q969 A970 | G962-K966 WeakPolarHBondContact O-CG 3.49Å; G962-K966 PolarHBondContact O-N 3.18Å; G963-K966 PolarHBondContact O-N 2.93Å; G963-K966 VanDerWaalsContact O-N 3.11Å; K966-Q969 PolarHBondContact O-N 3.48Å; K966-A970 WeakPolarHBondContact O-CB 3.45Å; K966-A970 PolarHBondContact O-N 2.7Å |
| 967 | V | 92.5 | Very high | 92.9 | Very high | 88 Ų | 88 | 93.5 Ų | 93.5 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 176.6 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | G963 E964 Q969 A970 L971 | G963-V967 WeakPolarHBondContact O-CG2 3.29Å; G963-V967 PolarHBondContact O-N 2.73Å; E964-V967 PolarHBondContact O-N 2.86Å; V967-Q969 PolarHBondContact O-N 2.69Å; V967-A970 PolarHBondContact O-N 2.95Å; V967-L971 HydrophobicContact CG1-CD1 4.11Å; V967-L971 HydrophobicContact CG1-CG 4.47Å; V967-L971 WeakPolarHBondContact O-CG 3.21Å; V967-L971 PolarHBondContact O-N 2.97Å |
| 968 | T | 92.6 | Very high | 92.9 | Very high | 75 Ų | 75 | 89.1 Ų | 89.1 | 46% | 0.46 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 176.6 | 47.3 | 0 | 0 | 0 | 0 | 112.1 | E964 L965 A970 L971 V972 | E964-T968 WeakPolarHBondContact O-CB 3.48Å; E964-T968 WeakPolarHBondContact O-CG2 3.46Å; E964-T968 PolarHBondContact O-N 3.18Å; E964-T968 PolarHBondContact O-OG1 2.67Å; L965-T968 VanDerWaalsContact CA-OG1 3.28Å; L965-T968 WeakPolarHBondContact CA-OG1 3.26Å; L965-T968 PolarHBondContact O-OG1 2.8Å; T968-A970 PolarHBondContact O-N 3.5Å; T968-L971 PolarHBondContact O-N 3.3Å; T968-V972 WeakPolarHBondContact O-CG2 3.33Å; T968-V972 PolarHBondContact O-N 2.78Å |
| 969 | Q | 92.5 | Very high | 93.1 | Very high | 103 Ų | 103 | 88.2 Ų | 88.2 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 173.3 | -74.7 | 174.6 | 13.4 | 0 | 0 | 113.1 | L965 K966 V967 V972 K973 | L965-Q969 WeakPolarHBondContact O-CB 3.45Å; L965-Q969 WeakPolarHBondContact O-CG 3.38Å; L965-Q969 PolarHBondContact O-N 2.67Å; K966-Q969 PolarHBondContact O-N 3.48Å; V967-Q969 PolarHBondContact O-N 2.69Å; Q969-V972 PolarHBondContact O-N 2.75Å; Q969-K973 WeakPolarHBondContact O-CG 3.24Å; Q969-K973 PolarHBondContact O-N 2.7Å |
| 970 | A | 90.8 | Very high | 93.1 | Very high | 57 Ų | 57 | 89.5 Ų | 89.5 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K966 V967 T968 V972 K973 L974 | K966-A970 WeakPolarHBondContact O-CB 3.45Å; K966-A970 PolarHBondContact O-N 2.7Å; V967-A970 PolarHBondContact O-N 2.95Å; T968-A970 PolarHBondContact O-N 3.5Å; A970-V972 PolarHBondContact O-N 3.41Å; A970-K973 PolarHBondContact O-N 3.44Å; A970-L974 WeakPolarHBondContact O-CB 3.43Å; A970-L974 PolarHBondContact O-N 2.79Å |
| 971 | L | 93.9 | Very high | 93.2 | Very high | 104 Ų | 104 | 90.6 Ų | 90.6 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 174.4 | -71.6 | 172 | 0 | 0 | 0 | 111.5 | V967 T968 K973 L974 E975 | V967-L971 HydrophobicContact CG1-CD1 4.11Å; V967-L971 HydrophobicContact CG1-CG 4.47Å; V967-L971 WeakPolarHBondContact O-CG 3.21Å; V967-L971 PolarHBondContact O-N 2.97Å; T968-L971 PolarHBondContact O-N 3.3Å; L971-K973 PolarHBondContact O-N 2.71Å; L971-L974 WeakPolarHBondContact O-CB 3.31Å; L971-L974 PolarHBondContact O-N 2.61Å; L971-E975 PolarHBondContact O-N 2.69Å |
| 972 | V | 92.8 | Very high | 93.4 | Very high | 80 Ų | 80 | 91.2 Ų | 91.2 | 49% | 0.485 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 175.8 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | T968 Q969 A970 L974 N976 | T968-V972 WeakPolarHBondContact O-CG2 3.33Å; T968-V972 PolarHBondContact O-N 2.78Å; Q969-V972 PolarHBondContact O-N 2.75Å; A970-V972 PolarHBondContact O-N 3.41Å; V972-L974 VanDerWaalsContact C-N 3.35Å; V972-N976 PolarHBondContact O-N 3.49Å; V972-N976 VanDerWaalsContact O-N 3.12Å; V972-N976 PolarHBondContact O-ND2 3.35Å |
| 973 | K | 94.8 | Very high | 93.5 | Very high | 148 Ų | 148 | 98.2 Ų | 98.2 | 64% | 0.643 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.8 | -39.4 | 175.8 | -74.3 | 176.3 | -178 | 180 | 0 | 112.2 | Q969 A970 L971 A977 | Q969-K973 WeakPolarHBondContact O-CG 3.24Å; Q969-K973 PolarHBondContact O-N 2.7Å; A970-K973 PolarHBondContact O-N 3.44Å; L971-K973 PolarHBondContact O-N 2.71Å; K973-A977 WeakPolarHBondContact O-CB 3.39Å; K973-A977 PolarHBondContact O-N 3.5Å |
| 974 | L | 92.8 | Very high | 93.7 | Very high | 96 Ų | 96 | 102.3 Ų | 102.3 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -48.8 | 176.7 | -179 | 67.1 | 0 | 0 | 0 | 110.9 | A970 L971 V972 N976 A977 E978 | A970-L974 WeakPolarHBondContact O-CB 3.43Å; A970-L974 PolarHBondContact O-N 2.79Å; L971-L974 WeakPolarHBondContact O-CB 3.31Å; L971-L974 PolarHBondContact O-N 2.61Å; V972-L974 VanDerWaalsContact C-N 3.35Å; L974-N976 VanDerWaalsContact C-N 3.32Å; L974-N976 PolarHBondContact O-N 3.39Å; L974-A977 PolarHBondContact O-N 2.84Å; L974-A977 VanDerWaalsContact O-N 3.13Å; L974-E978 WeakPolarHBondContact O-CG 3.29Å; L974-E978 PolarHBondContact O-N 3.31Å |
| 975 | E | 94.2 | Very high | 93.7 | Very high | 118 Ų | 118 | 101.2 Ų | 101.2 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.1 | -43.6 | 178.3 | -172.1 | 174.3 | -162.3 | 0 | 0 | 111.9 | L971 A977 E978 D979 | L971-E975 PolarHBondContact O-N 2.69Å; E975-A977 PolarHBondContact O-N 2.76Å; E975-E978 PolarHBondContact O-N 3.22Å; E975-D979 PolarHBondContact O-N 2.95Å |
| 976 | N | 94.1 | Very high | 93.8 | Very high | 86 Ų | 86 | 101.4 Ų | 101.4 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 175.4 | -74.9 | -52.3 | 0 | 0 | 0 | 113.1 | V972 L974 D979 Q980 | V972-N976 PolarHBondContact O-N 3.49Å; V972-N976 VanDerWaalsContact O-N 3.12Å; V972-N976 PolarHBondContact O-ND2 3.35Å; L974-N976 VanDerWaalsContact C-N 3.32Å; L974-N976 PolarHBondContact O-N 3.39Å; N976-D979 PolarHBondContact O-N 3.19Å; N976-Q980 WeakPolarHBondContact O-CG 3.43Å; N976-Q980 PolarHBondContact O-N 2.74Å |
| 977 | A | 92.5 | Very high | 93.8 | Very high | 51 Ų | 51 | 97.7 Ų | 97.7 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K973 L974 E975 Q980 R981 | K973-A977 WeakPolarHBondContact O-CB 3.39Å; K973-A977 PolarHBondContact O-N 3.5Å; L974-A977 PolarHBondContact O-N 2.84Å; L974-A977 VanDerWaalsContact O-N 3.13Å; E975-A977 PolarHBondContact O-N 2.76Å; A977-Q980 PolarHBondContact O-N 2.83Å; A977-R981 PolarHBondContact O-N 2.82Å |
| 978 | E | 94.9 | Very high | 94 | Very high | 69 Ų | 69 | 97.1 Ų | 97.1 | 32% | 0.322 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 173.4 | -72 | -177.6 | 178.1 | 0 | 0 | 111.9 | L974 E975 R981 R982 | L974-E978 WeakPolarHBondContact O-CG 3.29Å; L974-E978 PolarHBondContact O-N 3.31Å; E975-E978 PolarHBondContact O-N 3.22Å; E978-R981 PolarHBondContact O-N 3.39Å; E978-R982 VanDerWaalsContact O-CG 3.28Å; E978-R982 WeakPolarHBondContact O-CG 3.44Å; E978-R982 PolarHBondContact O-N 3.33Å; E978-R982 IonicContact OE2-CZ 3.22Å; E978-R982 IonicContact OE2-NH1 2.79Å; E978-R982 IonicContact OE2-NH2 3.7Å; E978-R982 PolarHBondContact OE2-NH2 3.32Å |
| 979 | D | 94.2 | Very high | 94.1 | Very high | 65 Ų | 65 | 97.3 Ų | 97.3 | 35% | 0.348 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 175.5 | -81.3 | -12.4 | 0 | 0 | 0 | 112.8 | E975 N976 R982 R983 | E975-D979 PolarHBondContact O-N 2.95Å; N976-D979 PolarHBondContact O-N 3.19Å; D979-R982 PolarHBondContact O-N 2.74Å; D979-R982 IonicContact OD1-CZ 3.81Å; D979-R982 IonicContact OD1-NH1 3.33Å; D979-R982 PolarHBondContact OD1-NH1 2.88Å; D979-R983 VanDerWaalsContact O-CG 3.28Å; D979-R983 WeakPolarHBondContact O-CG 3.42Å; D979-R983 PolarHBondContact O-N 2.9Å |
| 980 | Q | 93.9 | Very high | 94.2 | Very high | 127 Ų | 127 | 97.5 Ų | 97.5 | 59% | 0.593 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 173 | -73.1 | 175.7 | 6.2 | 0 | 0 | 111.5 | N976 A977 R983 L984 | N976-Q980 WeakPolarHBondContact O-CG 3.43Å; N976-Q980 PolarHBondContact O-N 2.74Å; A977-Q980 PolarHBondContact O-N 2.83Å; Q980-R983 PolarHBondContact O-N 3.2Å; Q980-L984 WeakPolarHBondContact O-CG 3.23Å; Q980-L984 PolarHBondContact O-N 2.86Å |
| 981 | R | 94.8 | Very high | 94.4 | Very high | 125 Ų | 125 | 99.8 Ų | 99.8 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -48.2 | 174.5 | -175.2 | -174 | 64 | 89.8 | 1.7 | 111.3 | A977 E978 R983 L984 E985 | A977-R981 PolarHBondContact O-N 2.82Å; E978-R981 PolarHBondContact O-N 3.39Å; R981-R983 VanDerWaalsContact C-N 3.28Å; R981-R983 PolarHBondContact O-N 2.95Å; R981-L984 PolarHBondContact O-N 3.41Å; R981-E985 IonicContact CZ-OE1 3.87Å; R981-E985 IonicContact CZ-OE2 3.62Å; R981-E985 VanDerWaalsContact NH1-CD 3.26Å; R981-E985 IonicContact NH1-OE1 2.72Å; R981-E985 PolarHBondContact NH1-OE1 2.75Å; R981-E985 IonicContact NH1-OE2 2.8Å; R981-E985 PolarHBondContact NH1-OE2 3.33Å; R981-E985 WeakPolarHBondContact O-CG 3.47Å; R981-E985 PolarHBondContact O-N 2.72Å |
| 982 | R | 95.7 | Very high | 94.5 | Very high | 102 Ų | 102 | 99.9 Ų | 99.9 | 39% | 0.385 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.2 | -38.6 | 177 | -70.8 | 171.8 | -166.9 | 118.5 | 8.4 | 111.9 | E978 D979 L986 | E978-R982 VanDerWaalsContact O-CG 3.28Å; E978-R982 WeakPolarHBondContact O-CG 3.44Å; E978-R982 PolarHBondContact O-N 3.33Å; E978-R982 IonicContact OE2-CZ 3.22Å; E978-R982 IonicContact OE2-NH1 2.79Å; E978-R982 IonicContact OE2-NH2 3.7Å; E978-R982 PolarHBondContact OE2-NH2 3.32Å; D979-R982 PolarHBondContact O-N 2.74Å; D979-R982 IonicContact OD1-CZ 3.81Å; D979-R982 IonicContact OD1-NH1 3.33Å; D979-R982 PolarHBondContact OD1-NH1 2.88Å; R982-L986 WeakPolarHBondContact O-CG 3.48Å; R982-L986 PolarHBondContact O-N 3.41Å |
| 983 | R | 95.3 | Very high | 94.5 | Very high | 175 Ų | 175 | 101.5 Ų | 101.5 | 66% | 0.66 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.6 | -46.8 | 175.7 | -74.1 | 169.7 | -172.4 | -125.1 | 2.9 | 112.2 | D979 Q980 R981 E985 L986 D987 | D979-R983 VanDerWaalsContact O-CG 3.28Å; D979-R983 WeakPolarHBondContact O-CG 3.42Å; D979-R983 PolarHBondContact O-N 2.9Å; Q980-R983 PolarHBondContact O-N 3.2Å; R981-R983 VanDerWaalsContact C-N 3.28Å; R981-R983 PolarHBondContact O-N 2.95Å; R983-E985 VanDerWaalsContact C-N 3.34Å; R983-E985 PolarHBondContact O-N 3.49Å; R983-L986 PolarHBondContact O-N 2.92Å; R983-D987 PolarHBondContact O-N 3.5Å; R983-D987 VanDerWaalsContact O-N 3.12Å |
| 984 | L | 94.6 | Very high | 94.5 | Very high | 118 Ų | 118 | 100.5 Ų | 100.5 | 62% | 0.618 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.3 | -39.3 | 178.5 | -70.5 | 173.8 | 0 | 0 | 0 | 111.8 | Q980 R981 L986 D987 V988 | Q980-L984 WeakPolarHBondContact O-CG 3.23Å; Q980-L984 PolarHBondContact O-N 2.86Å; R981-L984 PolarHBondContact O-N 3.41Å; L984-L986 VanDerWaalsContact C-N 3.34Å; L984-L986 PolarHBondContact O-N 2.91Å; L984-D987 PolarHBondContact O-N 3.33Å; L984-D987 VanDerWaalsContact O-N 3.16Å; L984-V988 WeakPolarHBondContact O-CG2 3.18Å; L984-V988 PolarHBondContact O-N 2.72Å |
| 985 | E | 96 | Very high | 94.4 | Very high | 86 Ų | 86 | 99.3 Ų | 99.3 | 40% | 0.402 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 174.4 | -76.9 | 171.2 | -179.9 | 0 | 0 | 112 | R981 R983 D987 V988 I989 | R981-E985 IonicContact CZ-OE1 3.87Å; R981-E985 IonicContact CZ-OE2 3.62Å; R981-E985 VanDerWaalsContact NH1-CD 3.26Å; R981-E985 IonicContact NH1-OE1 2.72Å; R981-E985 PolarHBondContact NH1-OE1 2.75Å; R981-E985 IonicContact NH1-OE2 2.8Å; R981-E985 PolarHBondContact NH1-OE2 3.33Å; R981-E985 WeakPolarHBondContact O-CG 3.47Å; R981-E985 PolarHBondContact O-N 2.72Å; R983-E985 VanDerWaalsContact C-N 3.34Å; R983-E985 PolarHBondContact O-N 3.49Å; E985-D987 VanDerWaalsContact C-N 3.3Å; E985-D987 PolarHBondContact O-N 2.71Å; E985-V988 PolarHBondContact O-N 2.73Å; E985-I989 VanDerWaalsContact O-CG1 3.29Å; E985-I989 WeakPolarHBondContact O-CG1 3.5Å; E985-I989 PolarHBondContact O-N 3.26Å |
| 986 | L | 93.2 | Very high | 94.4 | Very high | 103 Ų | 103 | 97.9 Ų | 97.9 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63 | -35.8 | 175.3 | -74.2 | 171.1 | 0 | 0 | 0 | 112.7 | R982 R983 L984 K990 | R982-L986 WeakPolarHBondContact O-CG 3.48Å; R982-L986 PolarHBondContact O-N 3.41Å; R983-L986 PolarHBondContact O-N 2.92Å; L984-L986 VanDerWaalsContact C-N 3.34Å; L984-L986 PolarHBondContact O-N 2.91Å; L986-K990 VanDerWaalsContact O-CG 3.24Å; L986-K990 WeakPolarHBondContact O-CG 3.35Å; L986-K990 PolarHBondContact O-N 2.66Å; L986-K990 VanDerWaalsContact O-N 3.09Å |
| 987 | D | 94.7 | Very high | 94.3 | Very high | 76 Ų | 76 | 97.8 Ų | 97.8 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -76 | -34.8 | 178.9 | -70.9 | -21 | 0 | 0 | 0 | 112.5 | R983 L984 E985 K990 L991 | R983-D987 PolarHBondContact O-N 3.5Å; R983-D987 VanDerWaalsContact O-N 3.12Å; L984-D987 PolarHBondContact O-N 3.33Å; L984-D987 VanDerWaalsContact O-N 3.16Å; E985-D987 VanDerWaalsContact C-N 3.3Å; E985-D987 PolarHBondContact O-N 2.71Å; D987-K990 PolarHBondContact O-N 3.47Å; D987-K990 IonicContact OD1-NZ 3.09Å; D987-K990 PolarHBondContact OD1-NZ 2.81Å; D987-L991 WeakPolarHBondContact O-CG 3.31Å; D987-L991 PolarHBondContact O-N 3.35Å |
| 988 | V | 94.7 | Very high | 94.4 | Very high | 76 Ų | 76 | 100.7 Ų | 100.7 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.4 | -50.5 | 169.6 | 170.1 | 0 | 0 | 0 | 0 | 110 | L984 E985 K990 L991 E992 | L984-V988 WeakPolarHBondContact O-CG2 3.18Å; L984-V988 PolarHBondContact O-N 2.72Å; E985-V988 PolarHBondContact O-N 2.73Å; V988-K990 VanDerWaalsContact C-N 3.29Å; V988-K990 PolarHBondContact O-N 2.77Å; V988-L991 PolarHBondContact O-N 2.85Å; V988-E992 HydrophobicContact CG1-CG 4.33Å; V988-E992 WeakPolarHBondContact O-CG 3.41Å; V988-E992 PolarHBondContact O-N 2.77Å |
| 989 | I | 95 | Very high | 94.3 | Very high | 78 Ų | 78 | 102.7 Ų | 102.7 | 40% | 0.4 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.7 | -40.2 | 177.8 | -67.4 | 164.5 | 0 | 0 | 0 | 111.4 | E985 L991 E992 H993 | E985-I989 VanDerWaalsContact O-CG1 3.29Å; E985-I989 WeakPolarHBondContact O-CG1 3.5Å; E985-I989 PolarHBondContact O-N 3.26Å; I989-L991 VanDerWaalsContact C-N 3.35Å; I989-L991 PolarHBondContact O-N 3.39Å; I989-E992 PolarHBondContact O-N 2.73Å; I989-H993 PolarHBondContact O-N 3.25Å |
| 990 | K | 95.7 | Very high | 94.2 | Very high | 108 Ų | 108 | 107 Ų | 107 | 47% | 0.47 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 176 | -73 | 169.7 | -156.5 | 158.3 | 0 | 112.5 | L986 D987 V988 K994 | L986-K990 VanDerWaalsContact O-CG 3.24Å; L986-K990 WeakPolarHBondContact O-CG 3.35Å; L986-K990 PolarHBondContact O-N 2.66Å; L986-K990 VanDerWaalsContact O-N 3.09Å; D987-K990 PolarHBondContact O-N 3.47Å; D987-K990 IonicContact OD1-NZ 3.09Å; D987-K990 PolarHBondContact OD1-NZ 2.81Å; V988-K990 VanDerWaalsContact C-N 3.29Å; V988-K990 PolarHBondContact O-N 2.77Å; K990-K994 VanDerWaalsContact O-CG 3.31Å; K990-K994 WeakPolarHBondContact O-CG 3.28Å; K990-K994 PolarHBondContact O-N 3.42Å |
| 991 | L | 94.2 | Very high | 94.2 | Very high | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.4 | -41.5 | 177.4 | -75 | 170.2 | 0 | 0 | 0 | 111.2 | D987 V988 I989 H993 K994 C995 | D987-L991 WeakPolarHBondContact O-CG 3.31Å; D987-L991 PolarHBondContact O-N 3.35Å; V988-L991 PolarHBondContact O-N 2.85Å; I989-L991 VanDerWaalsContact C-N 3.35Å; I989-L991 PolarHBondContact O-N 3.39Å; L991-H993 PolarHBondContact O-N 2.87Å; L991-K994 HydrophobicContact CD2-CD 4.5Å; L991-K994 WeakPolarHBondContact O-CB 3.38Å; L991-K994 PolarHBondContact O-N 2.96Å; L991-K994 VanDerWaalsContact O-N 3.14Å; L991-C995 PolarHBondContact O-N 3.22Å; L991-C995 PolarHBondContact O-SG 2.77Å; L991-C995 VanDerWaalsContact O-SG 3.38Å |
| 992 | E | 96 | Very high | 94.1 | Very high | 107 Ų | 107 | 104.4 Ų | 104.4 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.6 | -50.5 | 174.1 | -72.6 | 174.1 | 165 | 0 | 0 | 111.1 | V988 I989 K994 C995 E996 | V988-E992 HydrophobicContact CG1-CG 4.33Å; V988-E992 WeakPolarHBondContact O-CG 3.41Å; V988-E992 PolarHBondContact O-N 2.77Å; I989-E992 PolarHBondContact O-N 2.73Å; E992-K994 VanDerWaalsContact C-N 3.29Å; E992-K994 PolarHBondContact O-N 3.18Å; E992-C995 PolarHBondContact O-N 3.48Å; E992-C995 VanDerWaalsContact O-N 3.17Å; E992-E996 PolarHBondContact O-N 2.83Å |
| 993 | H | 92.6 | Very high | 94 | Very high | 114 Ų | 114 | 101 Ų | 101 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.2 | -38.6 | 175.4 | -71.8 | 157.1 | 0 | 0 | 0 | 113.2 | I989 L991 E996 T997 | I989-H993 PolarHBondContact O-N 3.25Å; L991-H993 PolarHBondContact O-N 2.87Å; H993-E996 PolarHBondContact O-N 2.75Å; H993-T997 WeakPolarHBondContact O-CG2 3.34Å; H993-T997 PolarHBondContact O-N 2.78Å; H993-T997 PolarHBondContact O-OG1 3.47Å |
| 994 | K | 94.8 | Very high | 93.9 | Very high | 127 Ų | 127 | 95.8 Ų | 95.8 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.4 | -45.4 | 176.4 | -74.6 | 171.6 | -177.5 | 179 | 0 | 111.5 | K990 L991 E992 E996 T997 L998 | K990-K994 VanDerWaalsContact O-CG 3.31Å; K990-K994 WeakPolarHBondContact O-CG 3.28Å; K990-K994 PolarHBondContact O-N 3.42Å; L991-K994 HydrophobicContact CD2-CD 4.5Å; L991-K994 WeakPolarHBondContact O-CB 3.38Å; L991-K994 PolarHBondContact O-N 2.96Å; L991-K994 VanDerWaalsContact O-N 3.14Å; E992-K994 VanDerWaalsContact C-N 3.29Å; E992-K994 PolarHBondContact O-N 3.18Å; K994-E996 VanDerWaalsContact C-N 3.33Å; K994-E996 PolarHBondContact O-N 2.84Å; K994-T997 WeakPolarHBondContact CA-OG1 3.22Å; K994-T997 PolarHBondContact O-N 2.92Å; K994-T997 PolarHBondContact O-OG1 2.74Å; K994-L998 PolarHBondContact O-N 2.73Å |
| 995 | C | 91.8 | Very high | 93.7 | Very high | 71 Ų | 71 | 94.7 Ų | 94.7 | 48% | 0.48 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 175.9 | -68.9 | 0 | 0 | 0 | 0 | 110.9 | L991 E992 T997 L998 D999 | L991-C995 PolarHBondContact O-N 3.22Å; L991-C995 PolarHBondContact O-SG 2.77Å; L991-C995 VanDerWaalsContact O-SG 3.38Å; E992-C995 PolarHBondContact O-N 3.48Å; E992-C995 VanDerWaalsContact O-N 3.17Å; C995-T997 VanDerWaalsContact C-N 3.29Å; C995-T997 PolarHBondContact O-N 3.04Å; C995-L998 WeakPolarHBondContact O-CB 3.24Å; C995-L998 PolarHBondContact O-N 3.3Å; C995-L998 VanDerWaalsContact O-N 3.09Å; C995-D999 PolarHBondContact O-N 3.44Å |
| 996 | E | 93.5 | Very high | 93.6 | Very high | 88 Ų | 88 | 93 Ų | 93 | 41% | 0.411 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.3 | -35.9 | 177 | -69 | -173.3 | -168.6 | 0 | 0 | 113.4 | E992 H993 K994 R1000 | E992-E996 PolarHBondContact O-N 2.83Å; H993-E996 PolarHBondContact O-N 2.75Å; K994-E996 VanDerWaalsContact C-N 3.33Å; K994-E996 PolarHBondContact O-N 2.84Å; E996-R1000 WeakPolarHBondContact O-CG 3.27Å; E996-R1000 PolarHBondContact O-N 2.68Å; E996-R1000 PolarHBondContact O-NH1 3.11Å; E996-R1000 IonicContact OE2-CZ 2.8Å; E996-R1000 IonicContact OE2-NH1 3.64Å; E996-R1000 PolarHBondContact OE2-NH1 2.85Å; E996-R1000 IonicContact OE2-NH2 3.58Å; E996-R1000 PolarHBondContact OE2-NH2 3.28Å; E996-R1000 VanDerWaalsContact OE2-NH2 3.09Å |
| 997 | T | 92.9 | Very high | 93.6 | Very high | 84 Ų | 84 | 94.4 Ų | 94.4 | 52% | 0.515 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.8 | -37.6 | 175.3 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | H993 K994 C995 L1001 | H993-T997 WeakPolarHBondContact O-CG2 3.34Å; H993-T997 PolarHBondContact O-N 2.78Å; H993-T997 PolarHBondContact O-OG1 3.47Å; K994-T997 WeakPolarHBondContact CA-OG1 3.22Å; K994-T997 PolarHBondContact O-N 2.92Å; K994-T997 PolarHBondContact O-OG1 2.74Å; C995-T997 VanDerWaalsContact C-N 3.29Å; C995-T997 PolarHBondContact O-N 3.04Å; T997-L1001 WeakPolarHBondContact O-CB 3.17Å; T997-L1001 PolarHBondContact O-N 2.85Å |
| 998 | L | 93.7 | Very high | 93.3 | Very high | 111 Ų | 111 | 96.6 Ų | 96.6 | 58% | 0.581 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.5 | -40.4 | 175.2 | -73.1 | 172.7 | 0 | 0 | 0 | 111.4 | K994 C995 L1001 N1002 | K994-L998 PolarHBondContact O-N 2.73Å; C995-L998 WeakPolarHBondContact O-CB 3.24Å; C995-L998 PolarHBondContact O-N 3.3Å; C995-L998 VanDerWaalsContact O-N 3.09Å; L998-L1001 PolarHBondContact O-N 3.4Å; L998-N1002 VanDerWaalsContact O-CB 3.26Å; L998-N1002 WeakPolarHBondContact O-CB 3.41Å; L998-N1002 PolarHBondContact O-N 3.2Å |
| 999 | D | 93.3 | Very high | 93.2 | Very high | 112 Ų | 112 | 99.9 Ų | 99.9 | 60% | 0.599 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -42.8 | 176.6 | -75.3 | -30.4 | 0 | 0 | 0 | 111.7 | C995 L1001 N1002 G1003 | C995-D999 PolarHBondContact O-N 3.44Å; D999-L1001 PolarHBondContact O-N 3.29Å; D999-N1002 PolarHBondContact O-N 2.85Å; D999-G1003 PolarHBondContact O-N 3.4Å |
| 1000 | R | 92.2 | Very high | 93.1 | Very high | 156 Ų | 156 | 100 Ų | 100 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.9 | -46.5 | 173.7 | -73.9 | -178.9 | -170.4 | 96.8 | 1.6 | 111.6 | E996 G1003 T1004 | E996-R1000 WeakPolarHBondContact O-CG 3.27Å; E996-R1000 PolarHBondContact O-N 2.68Å; E996-R1000 PolarHBondContact O-NH1 3.11Å; E996-R1000 IonicContact OE2-CZ 2.8Å; E996-R1000 IonicContact OE2-NH1 3.64Å; E996-R1000 PolarHBondContact OE2-NH1 2.85Å; E996-R1000 IonicContact OE2-NH2 3.58Å; E996-R1000 PolarHBondContact OE2-NH2 3.28Å; E996-R1000 VanDerWaalsContact OE2-NH2 3.09Å; R1000-G1003 PolarHBondContact O-N 2.79Å; R1000-T1004 PolarHBondContact O-N 3.3Å |
| 1001 | L | 94.6 | Very high | 93 | Very high | 99 Ų | 99 | 96.3 Ų | 96.3 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 178.3 | -178.3 | 66.6 | 0 | 0 | 0 | 111.7 | T997 L998 D999 G1003 T1004 L1005 | T997-L1001 WeakPolarHBondContact O-CB 3.17Å; T997-L1001 PolarHBondContact O-N 2.85Å; L998-L1001 PolarHBondContact O-N 3.4Å; D999-L1001 PolarHBondContact O-N 3.29Å; L1001-G1003 VanDerWaalsContact C-N 3.28Å; L1001-G1003 PolarHBondContact O-N 2.78Å; L1001-T1004 PolarHBondContact O-N 2.88Å; L1001-T1004 VanDerWaalsContact O-N 3.16Å; L1001-T1004 PolarHBondContact O-OG1 3.2Å; L1001-L1005 PolarHBondContact O-N 2.95Å; L1001-L1005 VanDerWaalsContact O-N 3.12Å |
| 1002 | N | 92.3 | Very high | 92.9 | Very high | 97 Ų | 97 | 96.7 Ų | 96.7 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 178.3 | -168.8 | 38.2 | 0 | 0 | 0 | 111.3 | L998 D999 T1004 L1005 V1006 | L998-N1002 VanDerWaalsContact O-CB 3.26Å; L998-N1002 WeakPolarHBondContact O-CB 3.41Å; L998-N1002 PolarHBondContact O-N 3.2Å; D999-N1002 PolarHBondContact O-N 2.85Å; N1002-T1004 PolarHBondContact O-N 3.38Å; N1002-L1005 PolarHBondContact O-N 3.48Å; N1002-V1006 WeakPolarHBondContact O-CG2 3.48Å; N1002-V1006 PolarHBondContact O-N 3.18Å; N1002-V1006 VanDerWaalsContact O-N 3.1Å |
| 1003 | G | 92.9 | Very high | 92.7 | Very high | 32 Ų | 32 | 95.3 Ų | 95.3 | 33% | 0.33 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -54.3 | -50.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D999 R1000 L1001 L1005 V1006 E1007 | D999-G1003 PolarHBondContact O-N 3.4Å; R1000-G1003 PolarHBondContact O-N 2.79Å; L1001-G1003 VanDerWaalsContact C-N 3.28Å; L1001-G1003 PolarHBondContact O-N 2.78Å; G1003-L1005 PolarHBondContact O-N 3.34Å; G1003-V1006 PolarHBondContact O-N 2.83Å; G1003-E1007 WeakPolarHBondContact O-CG 3.5Å; G1003-E1007 PolarHBondContact O-N 3.26Å; G1003-E1007 VanDerWaalsContact O-N 3.07Å |
| 1004 | T | 92.7 | Very high | 92.5 | Very high | 65 Ų | 65 | 97.4 Ų | 97.4 | 40% | 0.399 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | -179.9 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | R1000 L1001 N1002 V1006 E1007 E1008 | R1000-T1004 PolarHBondContact O-N 3.3Å; L1001-T1004 PolarHBondContact O-N 2.88Å; L1001-T1004 VanDerWaalsContact O-N 3.16Å; L1001-T1004 PolarHBondContact O-OG1 3.2Å; N1002-T1004 PolarHBondContact O-N 3.38Å; T1004-V1006 VanDerWaalsContact C-N 3.34Å; T1004-V1006 PolarHBondContact O-N 3.33Å; T1004-E1007 PolarHBondContact O-N 3.11Å; T1004-E1008 WeakPolarHBondContact O-CG 3.23Å; T1004-E1008 PolarHBondContact O-N 3.28Å |
| 1005 | L | 92.1 | Very high | 92.3 | Very high | 95 Ų | 95 | 97.5 Ų | 97.5 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -35.9 | 177.8 | -70.6 | 174.1 | 0 | 0 | 0 | 112.4 | L1001 N1002 G1003 R1009 | L1001-L1005 PolarHBondContact O-N 2.95Å; L1001-L1005 VanDerWaalsContact O-N 3.12Å; N1002-L1005 PolarHBondContact O-N 3.48Å; G1003-L1005 PolarHBondContact O-N 3.34Å; L1005-R1009 WeakPolarHBondContact O-CB 3.09Å; L1005-R1009 PolarHBondContact O-N 3.5Å |
| 1006 | V | 93.9 | Very high | 92.3 | Very high | 49 Ų | 49 | 99.2 Ų | 99.2 | 30% | 0.297 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 175.5 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | N1002 G1003 T1004 R1009 H1010 | N1002-V1006 WeakPolarHBondContact O-CG2 3.48Å; N1002-V1006 PolarHBondContact O-N 3.18Å; N1002-V1006 VanDerWaalsContact O-N 3.1Å; G1003-V1006 PolarHBondContact O-N 2.83Å; T1004-V1006 VanDerWaalsContact C-N 3.34Å; T1004-V1006 PolarHBondContact O-N 3.33Å; V1006-R1009 PolarHBondContact O-N 3.4Å; V1006-H1010 WeakPolarHBondContact CG1-CE1 3.35Å; V1006-H1010 PolarHBondContact O-N 2.95Å; V1006-H1010 PolarHBondContact O-ND1 2.82Å; V1006-H1010 VanDerWaalsContact O-ND1 3.1Å |
| 1007 | E | 91.4 | Very high | 92.2 | Very high | 134 Ų | 134 | 99.4 Ų | 99.4 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.6 | -45.3 | 175.8 | -71.9 | 175.8 | -178.4 | 0 | 0 | 112.1 | G1003 T1004 H1010 A1011 | G1003-E1007 WeakPolarHBondContact O-CG 3.5Å; G1003-E1007 PolarHBondContact O-N 3.26Å; G1003-E1007 VanDerWaalsContact O-N 3.07Å; T1004-E1007 PolarHBondContact O-N 3.11Å; E1007-H1010 PolarHBondContact O-N 3.37Å; E1007-A1011 WeakPolarHBondContact O-CB 3.32Å; E1007-A1011 PolarHBondContact O-N 3.38Å |
| 1008 | E | 90 | Very high | 92 | Very high | 122 Ų | 122 | 97 Ų | 97 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.7 | -43.9 | 175.3 | -72.3 | -177.7 | 167.6 | 0 | 0 | 112.1 | T1004 H1010 A1011 L1012 | T1004-E1008 WeakPolarHBondContact O-CG 3.23Å; T1004-E1008 PolarHBondContact O-N 3.28Å; E1008-H1010 VanDerWaalsContact C-N 3.33Å; E1008-H1010 PolarHBondContact O-N 3.42Å; E1008-A1011 WeakPolarHBondContact O-CB 3.24Å; E1008-A1011 PolarHBondContact O-N 3.14Å; E1008-A1011 VanDerWaalsContact O-N 3.13Å; E1008-L1012 WeakPolarHBondContact O-CG 3.38Å; E1008-L1012 PolarHBondContact O-N 3.18Å |
| 1009 | R | 92.2 | Very high | 91.7 | Very high | 145 Ų | 145 | 97 Ų | 97 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58 | -46.5 | 175.9 | -167.6 | -172.8 | 85.9 | -160.1 | 3.9 | 111.3 | L1005 V1006 A1011 L1012 I1013 | L1005-R1009 WeakPolarHBondContact O-CB 3.09Å; L1005-R1009 PolarHBondContact O-N 3.5Å; V1006-R1009 PolarHBondContact O-N 3.4Å; R1009-A1011 VanDerWaalsContact C-N 3.32Å; R1009-A1011 PolarHBondContact O-N 2.83Å; R1009-L1012 PolarHBondContact O-N 3.43Å; R1009-I1013 HydrophobicContact CG-CD1 4.21Å; R1009-I1013 VanDerWaalsContact O-CG1 3.3Å; R1009-I1013 WeakPolarHBondContact O-CG1 3.27Å; R1009-I1013 PolarHBondContact O-N 3.49Å |
| 1010 | H | 93.3 | Very high | 91.5 | Very high | 80 Ų | 80 | 95.8 Ų | 95.8 | 37% | 0.37 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -34.2 | 177.1 | -68.6 | 136.7 | 0 | 0 | 0 | 112.5 | V1006 E1007 E1008 R1014 | V1006-H1010 WeakPolarHBondContact CG1-CE1 3.35Å; V1006-H1010 PolarHBondContact O-N 2.95Å; V1006-H1010 PolarHBondContact O-ND1 2.82Å; V1006-H1010 VanDerWaalsContact O-ND1 3.1Å; E1007-H1010 PolarHBondContact O-N 3.37Å; E1008-H1010 VanDerWaalsContact C-N 3.33Å; E1008-H1010 PolarHBondContact O-N 3.42Å; H1010-R1014 WeakPolarHBondContact O-CG 3.2Å; H1010-R1014 PolarHBondContact O-N 2.75Å; H1010-R1014 VanDerWaalsContact O-N 3.1Å; H1010-R1014 PolarHBondContact O-NE 3.03Å |
| 1011 | A | 92 | Very high | 91.3 | Very high | 31 Ų | 31 | 91.1 Ų | 91.1 | 26% | 0.256 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1007 E1008 R1009 R1014 Q1015 | E1007-A1011 WeakPolarHBondContact O-CB 3.32Å; E1007-A1011 PolarHBondContact O-N 3.38Å; E1008-A1011 WeakPolarHBondContact O-CB 3.24Å; E1008-A1011 PolarHBondContact O-N 3.14Å; E1008-A1011 VanDerWaalsContact O-N 3.13Å; R1009-A1011 VanDerWaalsContact C-N 3.32Å; R1009-A1011 PolarHBondContact O-N 2.83Å; A1011-R1014 PolarHBondContact O-N 3.24Å; A1011-Q1015 WeakPolarHBondContact O-CG 3.34Å; A1011-Q1015 PolarHBondContact O-N 2.85Å |
| 1012 | L | 92.2 | Very high | 91 | Very high | 111 Ų | 111 | 92.4 Ų | 92.4 | 58% | 0.581 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.4 | -40.4 | 176.2 | -71.6 | 172.2 | 0 | 0 | 0 | 112.3 | E1008 R1009 R1014 Q1015 L1016 | E1008-L1012 WeakPolarHBondContact O-CG 3.38Å; E1008-L1012 PolarHBondContact O-N 3.18Å; R1009-L1012 PolarHBondContact O-N 3.43Å; L1012-R1014 PolarHBondContact O-N 2.86Å; L1012-Q1015 PolarHBondContact O-N 3.43Å; L1012-L1016 WeakPolarHBondContact O-CB 3.43Å; L1012-L1016 PolarHBondContact O-N 3.32Å |
| 1013 | I | 93 | Very high | 90.7 | Very high | 78 Ų | 78 | 92.6 Ų | 92.6 | 40% | 0.4 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 175 | -68.9 | 165.9 | 0 | 0 | 0 | 110.4 | R1009 Q1015 L1016 D1017 | R1009-I1013 HydrophobicContact CG-CD1 4.21Å; R1009-I1013 VanDerWaalsContact O-CG1 3.3Å; R1009-I1013 WeakPolarHBondContact O-CG1 3.27Å; R1009-I1013 PolarHBondContact O-N 3.49Å; I1013-Q1015 VanDerWaalsContact C-N 3.31Å; I1013-Q1015 PolarHBondContact O-N 3.12Å; I1013-L1016 WeakPolarHBondContact O-CB 3.16Å; I1013-L1016 PolarHBondContact O-N 2.74Å; I1013-L1016 VanDerWaalsContact O-N 3.1Å; I1013-D1017 PolarHBondContact O-N 2.97Å |
| 1014 | R | 88.8 | Confident | 90.5 | Very high | 159 Ų | 159 | 97.2 Ų | 97.2 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.7 | -39.2 | 176.1 | -78.1 | -178.7 | -98.1 | 115 | -4.6 | 113 | H1010 A1011 L1012 G1018 | H1010-R1014 WeakPolarHBondContact O-CG 3.2Å; H1010-R1014 PolarHBondContact O-N 2.75Å; H1010-R1014 VanDerWaalsContact O-N 3.1Å; H1010-R1014 PolarHBondContact O-NE 3.03Å; A1011-R1014 PolarHBondContact O-N 3.24Å; L1012-R1014 PolarHBondContact O-N 2.86Å; R1014-G1018 PolarHBondContact O-N 3.36Å; R1014-G1018 VanDerWaalsContact O-N 3.13Å |
| 1015 | Q | 90.3 | Very high | 90.2 | Very high | 129 Ų | 129 | 101.1 Ų | 101.1 | 60% | 0.603 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.2 | -40.6 | 174.5 | -72.8 | 178.6 | 2.5 | 0 | 0 | 112 | A1011 L1012 I1013 G1018 L1019 | A1011-Q1015 WeakPolarHBondContact O-CG 3.34Å; A1011-Q1015 PolarHBondContact O-N 2.85Å; L1012-Q1015 PolarHBondContact O-N 3.43Å; I1013-Q1015 VanDerWaalsContact C-N 3.31Å; I1013-Q1015 PolarHBondContact O-N 3.12Å; Q1015-G1018 PolarHBondContact O-N 2.89Å; Q1015-L1019 PolarHBondContact O-N 3.33Å |
| 1016 | L | 90.8 | Very high | 89.8 | Confident | 106 Ų | 106 | 101.4 Ų | 101.4 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.4 | -46.1 | 177.4 | -162.5 | 86.8 | 0 | 0 | 0 | 111.5 | L1012 I1013 G1018 L1019 L1020 | L1012-L1016 WeakPolarHBondContact O-CB 3.43Å; L1012-L1016 PolarHBondContact O-N 3.32Å; I1013-L1016 WeakPolarHBondContact O-CB 3.16Å; I1013-L1016 PolarHBondContact O-N 2.74Å; I1013-L1016 VanDerWaalsContact O-N 3.1Å; L1016-G1018 VanDerWaalsContact C-N 3.31Å; L1016-G1018 PolarHBondContact O-N 2.81Å; L1016-L1019 PolarHBondContact O-N 2.88Å; L1016-L1020 HydrophobicContact CD2-CD1 4.43Å; L1016-L1020 HydrophobicContact CG-CD1 4.42Å; L1016-L1020 WeakPolarHBondContact O-CG 3.31Å; L1016-L1020 PolarHBondContact O-N 3.35Å |
| 1017 | D | 91.2 | Very high | 89.4 | Confident | 92 Ų | 92 | 103.2 Ų | 103.2 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 177.2 | -70.2 | -27.9 | 0 | 0 | 0 | 111.5 | I1013 L1020 A1021 | I1013-D1017 PolarHBondContact O-N 2.97Å; D1017-L1020 PolarHBondContact O-N 2.88Å; D1017-A1021 WeakPolarHBondContact O-CB 3.32Å; D1017-A1021 PolarHBondContact O-N 3.27Å |
| 1018 | G | 88.9 | Confident | 89.2 | Confident | 35 Ų | 35 | 100 Ų | 100 | 36% | 0.361 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1014 Q1015 L1016 A1021 Q1022 | R1014-G1018 PolarHBondContact O-N 3.36Å; R1014-G1018 VanDerWaalsContact O-N 3.13Å; Q1015-G1018 PolarHBondContact O-N 2.89Å; L1016-G1018 VanDerWaalsContact C-N 3.31Å; L1016-G1018 PolarHBondContact O-N 2.81Å; G1018-A1021 PolarHBondContact O-N 2.68Å; G1018-Q1022 WeakPolarHBondContact O-CG 3.19Å; G1018-Q1022 PolarHBondContact O-N 3.11Å; G1018-Q1022 VanDerWaalsContact O-N 3.09Å |
| 1019 | L | 88 | Confident | 88.9 | Confident | 110 Ų | 110 | 101 Ų | 101 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.2 | -38.9 | 175.9 | -74.1 | 172.2 | 0 | 0 | 0 | 112.3 | Q1015 L1016 Q1022 N1023 | Q1015-L1019 PolarHBondContact O-N 3.33Å; L1016-L1019 PolarHBondContact O-N 2.88Å; L1019-Q1022 PolarHBondContact O-N 3.43Å; L1019-N1023 WeakPolarHBondContact O-CB 3.39Å; L1019-N1023 PolarHBondContact O-N 2.85Å |
| 1020 | L | 88.5 | Confident | 88.5 | Confident | 86 Ų | 86 | 96.9 Ų | 96.9 | 45% | 0.45 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 174.3 | -80.7 | 166 | 0 | 0 | 0 | 111.1 | L1016 D1017 N1023 H1024 | L1016-L1020 HydrophobicContact CD2-CD1 4.43Å; L1016-L1020 HydrophobicContact CG-CD1 4.42Å; L1016-L1020 WeakPolarHBondContact O-CG 3.31Å; L1016-L1020 PolarHBondContact O-N 3.35Å; D1017-L1020 PolarHBondContact O-N 2.88Å; L1020-N1023 PolarHBondContact O-N 3.34Å; L1020-H1024 PolarHBondContact O-CD2 2.8Å; L1020-H1024 PolarHBondContact O-N 2.81Å |
| 1021 | A | 89 | Confident | 88.1 | Confident | 59 Ų | 59 | 99.3 Ų | 99.3 | 49% | 0.488 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1017 G1018 N1023 H1024 E1025 | D1017-A1021 WeakPolarHBondContact O-CB 3.32Å; D1017-A1021 PolarHBondContact O-N 3.27Å; G1018-A1021 PolarHBondContact O-N 2.68Å; A1021-N1023 VanDerWaalsContact C-N 3.3Å; A1021-N1023 PolarHBondContact O-N 3.27Å; A1021-H1024 PolarHBondContact O-N 3.38Å; A1021-E1025 PolarHBondContact O-N 3.45Å |
| 1022 | Q | 87.4 | Confident | 87.7 | Confident | 125 Ų | 125 | 103.6 Ų | 103.6 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60 | -39.1 | 176.2 | -75.4 | 179.4 | -2.6 | 0 | 0 | 112.5 | G1018 L1019 E1025 V1026 | G1018-Q1022 WeakPolarHBondContact O-CG 3.19Å; G1018-Q1022 PolarHBondContact O-N 3.11Å; G1018-Q1022 VanDerWaalsContact O-N 3.09Å; L1019-Q1022 PolarHBondContact O-N 3.43Å; Q1022-E1025 PolarHBondContact O-N 2.88Å; Q1022-V1026 WeakPolarHBondContact O-CG2 3.47Å; Q1022-V1026 PolarHBondContact O-N 3.37Å; Q1022-V1026 VanDerWaalsContact O-N 3.08Å |
| 1023 | N | 87 | Confident | 87.2 | Confident | 101 Ų | 101 | 102.3 Ų | 102.3 | 54% | 0.54 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 179 | -139 | -26 | 0 | 0 | 0 | 111.5 | L1019 L1020 A1021 E1025 V1026 L1027 | L1019-N1023 WeakPolarHBondContact O-CB 3.39Å; L1019-N1023 PolarHBondContact O-N 2.85Å; L1020-N1023 PolarHBondContact O-N 3.34Å; A1021-N1023 VanDerWaalsContact C-N 3.3Å; A1021-N1023 PolarHBondContact O-N 3.27Å; N1023-E1025 VanDerWaalsContact C-N 3.33Å; N1023-E1025 PolarHBondContact O-N 3.43Å; N1023-V1026 PolarHBondContact O-N 2.84Å; N1023-L1027 WeakPolarHBondContact O-CB 3.29Å; N1023-L1027 PolarHBondContact O-N 3.38Å |
| 1024 | H | 86.9 | Confident | 86.6 | Confident | 130 Ų | 130 | 104.5 Ų | 104.5 | 60% | 0.602 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.9 | -39 | 174.2 | -77.3 | -56.6 | 0 | 0 | 0 | 112.6 | L1020 A1021 L1027 S1028 | L1020-H1024 PolarHBondContact O-CD2 2.8Å; L1020-H1024 PolarHBondContact O-N 2.81Å; A1021-H1024 PolarHBondContact O-N 3.38Å; H1024-L1027 PolarHBondContact O-N 3.29Å; H1024-S1028 WeakPolarHBondContact O-CB 3.34Å; H1024-S1028 PolarHBondContact O-N 3.39Å |
| 1025 | E | 88 | Confident | 86.4 | Confident | 147 Ų | 147 | 103.5 Ų | 103.5 | 69% | 0.687 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.4 | -43 | 177.9 | -170.2 | 164.1 | -174.8 | 0 | 0 | 112.4 | A1021 Q1022 N1023 S1028 K1029 | A1021-E1025 PolarHBondContact O-N 3.45Å; Q1022-E1025 PolarHBondContact O-N 2.88Å; N1023-E1025 VanDerWaalsContact C-N 3.33Å; N1023-E1025 PolarHBondContact O-N 3.43Å; E1025-S1028 PolarHBondContact O-N 3.48Å; E1025-K1029 PolarHBondContact O-N 3.07Å |
| 1026 | V | 82.9 | Confident | 86 | Confident | 100 Ų | 100 | 104.3 Ų | 104.3 | 61% | 0.606 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 174.5 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | Q1022 N1023 K1029 A1030 | Q1022-V1026 WeakPolarHBondContact O-CG2 3.47Å; Q1022-V1026 PolarHBondContact O-N 3.37Å; Q1022-V1026 VanDerWaalsContact O-N 3.08Å; N1023-V1026 PolarHBondContact O-N 2.84Å; V1026-K1029 PolarHBondContact O-N 3.45Å; V1026-A1030 WeakPolarHBondContact O-CB 3.29Å; V1026-A1030 PolarHBondContact O-N 2.76Å |
| 1027 | L | 86.3 | Confident | 85.6 | Confident | 88 Ų | 88 | 105.8 Ų | 105.8 | 46% | 0.461 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 175.7 | -107.5 | 132 | 0 | 0 | 0 | 111.9 | N1023 H1024 K1029 A1030 F1031 | N1023-L1027 WeakPolarHBondContact O-CB 3.29Å; N1023-L1027 PolarHBondContact O-N 3.38Å; H1024-L1027 PolarHBondContact O-N 3.29Å; L1027-K1029 VanDerWaalsContact C-N 3.35Å; L1027-K1029 PolarHBondContact O-N 2.94Å; L1027-A1030 PolarHBondContact O-N 3.18Å; L1027-F1031 HydrophobicContact CD2-CD2 4.44Å; L1027-F1031 HydrophobicContact CD2-CE2 3.72Å; L1027-F1031 HydrophobicContact CD2-CZ 4.46Å; L1027-F1031 WeakPolarHBondContact O-CD2 3.36Å; L1027-F1031 PolarHBondContact O-N 2.82Å |
| 1028 | S | 86.3 | Confident | 85 | Confident | 66 Ų | 66 | 106.5 Ų | 106.5 | 46% | 0.462 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | H1024 E1025 A1030 F1031 M1032 | H1024-S1028 WeakPolarHBondContact O-CB 3.34Å; H1024-S1028 PolarHBondContact O-N 3.39Å; E1025-S1028 PolarHBondContact O-N 3.48Å; S1028-A1030 PolarHBondContact O-N 2.9Å; S1028-F1031 PolarHBondContact O-N 3.49Å; S1028-M1032 PolarHBondContact O-N 3.36Å |
| 1029 | K | 83.7 | Confident | 84.7 | Confident | 143 Ų | 143 | 108.6 Ų | 108.6 | 62% | 0.622 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.5 | -42.7 | 176.2 | -158.5 | 172.3 | -172 | 178.5 | 0 | 112.3 | E1025 V1026 L1027 F1031 M1032 D1033 | E1025-K1029 PolarHBondContact O-N 3.07Å; V1026-K1029 PolarHBondContact O-N 3.45Å; L1027-K1029 VanDerWaalsContact C-N 3.35Å; L1027-K1029 PolarHBondContact O-N 2.94Å; K1029-F1031 VanDerWaalsContact C-N 3.32Å; K1029-F1031 PolarHBondContact O-N 3.33Å; K1029-M1032 PolarHBondContact O-N 2.82Å; K1029-D1033 PolarHBondContact O-N 2.74Å |
| 1030 | A | 84.8 | Confident | 84.2 | Confident | 58 Ų | 58 | 108.8 Ų | 108.8 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64 | -33.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1026 L1027 S1028 K1034 | V1026-A1030 WeakPolarHBondContact O-CB 3.29Å; V1026-A1030 PolarHBondContact O-N 2.76Å; L1027-A1030 PolarHBondContact O-N 3.18Å; S1028-A1030 PolarHBondContact O-N 2.9Å; A1030-K1034 WeakPolarHBondContact O-CB 3.48Å; A1030-K1034 PolarHBondContact O-N 2.78Å |
| 1031 | F | 83.1 | Confident | 83.9 | Confident | 132 Ų | 132 | 110.4 Ų | 110.4 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.2 | -43.8 | 173.2 | -81.5 | -65.1 | 0 | 0 | 0 | 112.1 | L1027 S1028 K1029 D1033 K1034 E1035 | L1027-F1031 HydrophobicContact CD2-CD2 4.44Å; L1027-F1031 HydrophobicContact CD2-CE2 3.72Å; L1027-F1031 HydrophobicContact CD2-CZ 4.46Å; L1027-F1031 WeakPolarHBondContact O-CD2 3.36Å; L1027-F1031 PolarHBondContact O-N 2.82Å; S1028-F1031 PolarHBondContact O-N 3.49Å; K1029-F1031 VanDerWaalsContact C-N 3.32Å; K1029-F1031 PolarHBondContact O-N 3.33Å; F1031-D1033 PolarHBondContact O-N 2.87Å; F1031-K1034 PolarHBondContact O-N 3.5Å; F1031-E1035 PolarHBondContact O-N 2.86Å; F1031-E1035 VanDerWaalsContact O-N 3.09Å |
| 1032 | M | 85 | Confident | 83.5 | Confident | 121 Ų | 121 | 114.5 Ų | 114.5 | 60% | 0.596 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.6 | -44.7 | 177.1 | -70.7 | -176.5 | 62.4 | 0 | 0 | 112.2 | S1028 K1029 K1034 E1035 H1036 | S1028-M1032 PolarHBondContact O-N 3.36Å; K1029-M1032 PolarHBondContact O-N 2.82Å; M1032-K1034 VanDerWaalsContact C-N 3.29Å; M1032-K1034 PolarHBondContact O-N 3.45Å; M1032-E1035 PolarHBondContact O-N 3.47Å; M1032-H1036 PolarHBondContact O-N 2.91Å; M1032-H1036 VanDerWaalsContact O-N 3.12Å |
| 1033 | D | 81.3 | Confident | 83.2 | Confident | 84 Ų | 84 | 113.4 Ų | 113.4 | 45% | 0.449 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.8 | -40.8 | 177.4 | -70.1 | -19.8 | 0 | 0 | 0 | 111.3 | K1029 F1031 H1036 F1037 | K1029-D1033 PolarHBondContact O-N 2.74Å; F1031-D1033 PolarHBondContact O-N 2.87Å; D1033-H1036 VanDerWaalsContact O-CB 3.3Å; D1033-H1036 WeakPolarHBondContact O-CB 3.41Å; D1033-H1036 PolarHBondContact O-N 3.36Å; D1033-F1037 HydrophobicContact CB-CE2 4.32Å; D1033-F1037 WeakPolarHBondContact O-CD2 3.4Å; D1033-F1037 PolarHBondContact O-N 3.29Å |
| 1034 | K | 81.4 | Confident | 82.9 | Confident | 124 Ų | 124 | 113.6 Ų | 113.6 | 54% | 0.539 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.7 | -38.7 | -179.6 | -160.7 | -178.8 | -178 | -173.7 | 0 | 113 | A1030 F1031 M1032 H1036 F1037 H1038 | A1030-K1034 WeakPolarHBondContact O-CB 3.48Å; A1030-K1034 PolarHBondContact O-N 2.78Å; F1031-K1034 PolarHBondContact O-N 3.5Å; M1032-K1034 VanDerWaalsContact C-N 3.29Å; M1032-K1034 PolarHBondContact O-N 3.45Å; K1034-H1036 VanDerWaalsContact C-N 3.3Å; K1034-F1037 PolarHBondContact O-N 3.49Å; K1034-H1038 PolarHBondContact O-N 2.87Å; K1034-H1038 VanDerWaalsContact O-N 3.1Å |
| 1035 | E | 83.9 | Confident | 82.7 | Confident | 138 Ų | 138 | 112.7 Ų | 112.7 | 65% | 0.645 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.6 | -36.8 | 172.6 | -75 | -175.7 | 162.2 | 0 | 0 | 111.9 | F1031 M1032 H1038 S1039 | F1031-E1035 PolarHBondContact O-N 2.86Å; F1031-E1035 VanDerWaalsContact O-N 3.09Å; M1032-E1035 PolarHBondContact O-N 3.47Å; E1035-H1038 PolarHBondContact O-N 3.18Å; E1035-S1039 WeakPolarHBondContact O-CB 3.42Å; E1035-S1039 PolarHBondContact O-N 3.34Å; E1035-S1039 PolarHBondContact O-OG 3.11Å |
| 1036 | H | 81.1 | Confident | 82.2 | Confident | 145 Ų | 145 | 111.2 Ų | 111.2 | 67% | 0.671 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.9 | -49.4 | 174.4 | -120.7 | -65.8 | 0 | 0 | 0 | 111.8 | M1032 D1033 K1034 H1038 S1039 E1040 | M1032-H1036 PolarHBondContact O-N 2.91Å; M1032-H1036 VanDerWaalsContact O-N 3.12Å; D1033-H1036 VanDerWaalsContact O-CB 3.3Å; D1033-H1036 WeakPolarHBondContact O-CB 3.41Å; D1033-H1036 PolarHBondContact O-N 3.36Å; K1034-H1036 VanDerWaalsContact C-N 3.3Å; H1036-H1038 PolarHBondContact O-N 2.99Å; H1036-S1039 PolarHBondContact O-N 3.26Å; H1036-E1040 PolarHBondContact O-N 2.79Å; H1036-E1040 VanDerWaalsContact O-N 3.1Å |
| 1037 | F | 83.3 | Confident | 82.3 | Confident | 137 Ų | 137 | 111.4 Ų | 111.4 | 60% | 0.601 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.4 | -40.9 | 177.6 | -73.6 | -61.5 | 0 | 0 | 0 | 112.8 | D1033 K1034 S1039 E1040 E1041 | D1033-F1037 HydrophobicContact CB-CE2 4.32Å; D1033-F1037 WeakPolarHBondContact O-CD2 3.4Å; D1033-F1037 PolarHBondContact O-N 3.29Å; K1034-F1037 PolarHBondContact O-N 3.49Å; F1037-S1039 VanDerWaalsContact C-N 3.34Å; F1037-E1040 PolarHBondContact O-N 2.81Å; F1037-E1041 WeakPolarHBondContact O-CB 3.23Å; F1037-E1041 PolarHBondContact O-N 3.17Å |
| 1038 | H | 79 | Confident | 82 | Confident | 107 Ų | 107 | 110.4 Ų | 110.4 | 50% | 0.495 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.5 | -35.8 | 176.7 | -81.7 | -13.7 | 0 | 0 | 0 | 113.1 | K1034 E1035 H1036 E1040 E1041 K1042 | K1034-H1038 PolarHBondContact O-N 2.87Å; K1034-H1038 VanDerWaalsContact O-N 3.1Å; E1035-H1038 PolarHBondContact O-N 3.18Å; H1036-H1038 PolarHBondContact O-N 2.99Å; H1038-E1040 VanDerWaalsContact C-N 3.35Å; H1038-E1041 IonicContact ND1-OE2 3.92Å; H1038-K1042 WeakPolarHBondContact O-CB 3.23Å; H1038-K1042 PolarHBondContact O-N 2.85Å; H1038-K1042 VanDerWaalsContact O-N 3.1Å |
| 1039 | S | 80.8 | Confident | 81.7 | Confident | 79 Ų | 79 | 110.3 Ų | 110.3 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.3 | -43 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 111 | E1035 H1036 F1037 K1042 E1043 | E1035-S1039 WeakPolarHBondContact O-CB 3.42Å; E1035-S1039 PolarHBondContact O-N 3.34Å; E1035-S1039 PolarHBondContact O-OG 3.11Å; H1036-S1039 PolarHBondContact O-N 3.26Å; F1037-S1039 VanDerWaalsContact C-N 3.34Å; S1039-K1042 PolarHBondContact O-N 3.29Å; S1039-E1043 PolarHBondContact O-N 2.85Å |
| 1040 | E | 79.3 | Confident | 81.5 | Confident | 115 Ų | 115 | 109.2 Ų | 109.2 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.2 | -42.2 | 178.5 | -153.7 | 175.8 | -151.5 | 0 | 0 | 112.4 | H1036 F1037 H1038 K1042 E1043 L1044 | H1036-E1040 PolarHBondContact O-N 2.79Å; H1036-E1040 VanDerWaalsContact O-N 3.1Å; F1037-E1040 PolarHBondContact O-N 2.81Å; H1038-E1040 VanDerWaalsContact C-N 3.35Å; E1040-K1042 VanDerWaalsContact C-N 3.33Å; E1040-K1042 PolarHBondContact O-N 3.44Å; E1040-E1043 PolarHBondContact O-N 3.41Å; E1040-L1044 PolarHBondContact O-N 2.91Å; E1040-L1044 VanDerWaalsContact O-N 3.1Å |
| 1041 | E | 81.1 | Confident | 81.2 | Confident | 119 Ų | 119 | 111.9 Ų | 111.9 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59 | -43 | 174.7 | -176.3 | 178.3 | -170.3 | 0 | 0 | 111.7 | F1037 H1038 E1043 L1044 Q1045 | F1037-E1041 WeakPolarHBondContact O-CB 3.23Å; F1037-E1041 PolarHBondContact O-N 3.17Å; H1038-E1041 IonicContact ND1-OE2 3.92Å; E1041-E1043 VanDerWaalsContact C-N 3.32Å; E1041-E1043 PolarHBondContact O-N 2.71Å; E1041-L1044 PolarHBondContact O-N 3.14Å; E1041-Q1045 WeakPolarHBondContact O-CB 3.39Å; E1041-Q1045 PolarHBondContact O-N 3.15Å |
| 1042 | K | 81.8 | Confident | 81 | Confident | 145 Ų | 145 | 111.9 Ų | 111.9 | 63% | 0.63 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.4 | -39.4 | 179.7 | -155.8 | 179.5 | -175.1 | -175.2 | 0 | 111.8 | H1038 S1039 E1040 Q1045 E1046 | H1038-K1042 WeakPolarHBondContact O-CB 3.23Å; H1038-K1042 PolarHBondContact O-N 2.85Å; H1038-K1042 VanDerWaalsContact O-N 3.1Å; S1039-K1042 PolarHBondContact O-N 3.29Å; E1040-K1042 VanDerWaalsContact C-N 3.33Å; E1040-K1042 PolarHBondContact O-N 3.44Å; K1042-Q1045 PolarHBondContact O-N 2.7Å; K1042-E1046 PolarHBondContact O-N 3.36Å; K1042-E1046 VanDerWaalsContact O-N 3.08Å |
| 1043 | E | 80 | Confident | 80.7 | Confident | 103 Ų | 103 | 113.8 Ų | 113.8 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 177.8 | -142.5 | -158.6 | 130.2 | 0 | 0 | 112.1 | S1039 E1040 E1041 K1047 | S1039-E1043 PolarHBondContact O-N 2.85Å; E1040-E1043 PolarHBondContact O-N 3.41Å; E1041-E1043 VanDerWaalsContact C-N 3.32Å; E1041-E1043 PolarHBondContact O-N 2.71Å; E1043-K1047 WeakPolarHBondContact O-CG 3.29Å; E1043-K1047 PolarHBondContact O-N 3.18Å; E1043-K1047 IonicContact OE1-NZ 3.99Å; E1043-K1047 PolarHBondContact OE1-NZ 2.9Å |
| 1044 | L | 81.1 | Confident | 80.5 | Confident | 104 Ų | 104 | 115.9 Ų | 115.9 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 174.4 | -70.1 | 174.8 | 0 | 0 | 0 | 112 | E1040 E1041 E1046 K1047 V1048 | E1040-L1044 PolarHBondContact O-N 2.91Å; E1040-L1044 VanDerWaalsContact O-N 3.1Å; E1041-L1044 PolarHBondContact O-N 3.14Å; L1044-E1046 VanDerWaalsContact C-N 3.32Å; L1044-E1046 PolarHBondContact O-N 3.48Å; L1044-K1047 PolarHBondContact O-N 2.86Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.21Å; L1044-V1048 PolarHBondContact O-N 3Å |
| 1045 | Q | 81.9 | Confident | 80.4 | Confident | 111 Ų | 111 | 115.9 Ų | 115.9 | 52% | 0.519 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 177.4 | -164.1 | 75.7 | -11.6 | 0 | 0 | 111.7 | E1041 K1042 V1048 N1049 | E1041-Q1045 WeakPolarHBondContact O-CB 3.39Å; E1041-Q1045 PolarHBondContact O-N 3.15Å; K1042-Q1045 PolarHBondContact O-N 2.7Å; Q1045-V1048 PolarHBondContact O-N 2.79Å; Q1045-N1049 VanDerWaalsContact O-CG 3.28Å; Q1045-N1049 PolarHBondContact O-N 3.44Å; Q1045-N1049 PolarHBondContact O-ND2 2.84Å |
| 1046 | E | 79.1 | Confident | 80.1 | Confident | 117 Ų | 117 | 115 Ų | 115 | 55% | 0.547 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.5 | -76.7 | 179.6 | 179.8 | 0 | 0 | 112.4 | K1042 L1044 V1048 N1049 Q1050 | K1042-E1046 PolarHBondContact O-N 3.36Å; K1042-E1046 VanDerWaalsContact O-N 3.08Å; L1044-E1046 VanDerWaalsContact C-N 3.32Å; L1044-E1046 PolarHBondContact O-N 3.48Å; E1046-V1048 PolarHBondContact O-N 2.88Å; E1046-N1049 PolarHBondContact O-N 3.37Å; E1046-Q1050 PolarHBondContact O-N 3.19Å |
| 1047 | K | 83.1 | Confident | 79.8 | Confident | 104 Ų | 104 | 114.8 Ų | 114.8 | 45% | 0.452 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.4 | -71.2 | 168.9 | -173.6 | 159.1 | 0 | 112 | E1043 L1044 Q1050 L1051 | E1043-K1047 WeakPolarHBondContact O-CG 3.29Å; E1043-K1047 PolarHBondContact O-N 3.18Å; E1043-K1047 IonicContact OE1-NZ 3.99Å; E1043-K1047 PolarHBondContact OE1-NZ 2.9Å; L1044-K1047 PolarHBondContact O-N 2.86Å; K1047-Q1050 PolarHBondContact O-N 2.84Å; K1047-L1051 PolarHBondContact O-N 3.39Å; K1047-L1051 VanDerWaalsContact O-N 3.1Å |
| 1048 | V | 81.8 | Confident | 79.4 | Confident | 66 Ų | 66 | 113.3 Ų | 113.3 | 40% | 0.4 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 176.1 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | L1044 Q1045 E1046 Q1050 L1051 K1052 | L1044-V1048 WeakPolarHBondContact O-CG2 3.21Å; L1044-V1048 PolarHBondContact O-N 3Å; Q1045-V1048 PolarHBondContact O-N 2.79Å; E1046-V1048 PolarHBondContact O-N 2.88Å; V1048-Q1050 VanDerWaalsContact C-N 3.33Å; V1048-Q1050 PolarHBondContact O-N 3.32Å; V1048-L1051 PolarHBondContact O-N 2.74Å; V1048-K1052 PolarHBondContact O-N 3.32Å |
| 1049 | N | 79.9 | Confident | 79 | Confident | 64 Ų | 64 | 112.3 Ų | 112.3 | 34% | 0.342 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.7 | -35.5 | 178.8 | -73.6 | -29.3 | 0 | 0 | 0 | 112.4 | Q1045 E1046 K1052 R1053 | Q1045-N1049 VanDerWaalsContact O-CG 3.28Å; Q1045-N1049 PolarHBondContact O-N 3.44Å; Q1045-N1049 PolarHBondContact O-ND2 2.84Å; E1046-N1049 PolarHBondContact O-N 3.37Å; N1049-K1052 PolarHBondContact O-N 2.81Å; N1049-R1053 WeakPolarHBondContact O-CG 3.41Å; N1049-R1053 PolarHBondContact O-N 2.82Å; N1049-R1053 VanDerWaalsContact O-N 3.07Å |
| 1050 | Q | 79.3 | Confident | 78.4 | Confident | 121 Ų | 121 | 114.2 Ų | 114.2 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.8 | -44.5 | 171.9 | -86.6 | 166.4 | -14.5 | 0 | 0 | 112.4 | E1046 K1047 V1048 K1052 R1053 Q1054 | E1046-Q1050 PolarHBondContact O-N 3.19Å; K1047-Q1050 PolarHBondContact O-N 2.84Å; V1048-Q1050 VanDerWaalsContact C-N 3.33Å; V1048-Q1050 PolarHBondContact O-N 3.32Å; Q1050-K1052 VanDerWaalsContact C-N 3.34Å; Q1050-K1052 PolarHBondContact O-N 3.35Å; Q1050-R1053 PolarHBondContact O-N 3.16Å; Q1050-Q1054 WeakPolarHBondContact O-CG 3.31Å; Q1050-Q1054 PolarHBondContact O-N 2.78Å |
| 1051 | L | 78.8 | Confident | 78.2 | Confident | 113 Ų | 113 | 115.7 Ų | 115.7 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.6 | -40.1 | 175.4 | -72.7 | 172.8 | 0 | 0 | 0 | 112.2 | K1047 V1048 Q1054 K1055 | K1047-L1051 PolarHBondContact O-N 3.39Å; K1047-L1051 VanDerWaalsContact O-N 3.1Å; V1048-L1051 PolarHBondContact O-N 2.74Å; L1051-Q1054 PolarHBondContact O-N 3.45Å; L1051-K1055 WeakPolarHBondContact O-CB 3.25Å; L1051-K1055 PolarHBondContact O-N 3.42Å |
| 1052 | K | 79 | Confident | 77.5 | Confident | 133 Ų | 133 | 114.3 Ų | 114.3 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.5 | -45.6 | 174.2 | -81.5 | -177.2 | 177.4 | 176.7 | 0 | 112.3 | V1048 N1049 Q1050 Q1054 K1055 E1056 | V1048-K1052 PolarHBondContact O-N 3.32Å; N1049-K1052 PolarHBondContact O-N 2.81Å; Q1050-K1052 VanDerWaalsContact C-N 3.34Å; Q1050-K1052 PolarHBondContact O-N 3.35Å; K1052-Q1054 VanDerWaalsContact C-N 3.29Å; K1052-Q1054 PolarHBondContact O-N 2.85Å; K1052-K1055 WeakPolarHBondContact O-CB 3.42Å; K1052-K1055 PolarHBondContact O-N 2.76Å; K1052-E1056 WeakPolarHBondContact O-CB 3.41Å; K1052-E1056 PolarHBondContact O-N 2.82Å |
| 1053 | R | 77.3 | Confident | 76.5 | Confident | 160 Ų | 160 | 113.7 Ų | 113.7 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.7 | -33.8 | 176 | -72.8 | 175.7 | -178.3 | 141.6 | -1.1 | 112.6 | N1049 Q1050 K1057 | N1049-R1053 WeakPolarHBondContact O-CG 3.41Å; N1049-R1053 PolarHBondContact O-N 2.82Å; N1049-R1053 VanDerWaalsContact O-N 3.07Å; Q1050-R1053 PolarHBondContact O-N 3.16Å; R1053-K1057 VanDerWaalsContact O-CG 3.32Å; R1053-K1057 WeakPolarHBondContact O-CG 3.17Å; R1053-K1057 PolarHBondContact O-N 2.84Å |
| 1054 | Q | 78.3 | Confident | 75.4 | Confident | 129 Ų | 129 | 115.7 Ų | 115.7 | 60% | 0.603 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71 | -40 | 173.9 | -73.8 | -168.5 | -14.6 | 0 | 0 | 112 | Q1050 L1051 K1052 K1057 L1058 | Q1050-Q1054 WeakPolarHBondContact O-CG 3.31Å; Q1050-Q1054 PolarHBondContact O-N 2.78Å; L1051-Q1054 PolarHBondContact O-N 3.45Å; K1052-Q1054 VanDerWaalsContact C-N 3.29Å; K1052-Q1054 PolarHBondContact O-N 2.85Å; Q1054-K1057 PolarHBondContact O-N 3.39Å; Q1054-L1058 WeakPolarHBondContact O-CG 3.41Å; Q1054-L1058 PolarHBondContact O-N 2.96Å |
| 1055 | K | 79.3 | Confident | 74.2 | Confident | 123 Ų | 123 | 118 Ų | 118 | 54% | 0.535 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.5 | -47.6 | 174 | -177.8 | 178.9 | -175.5 | -89.4 | 0 | 111.6 | L1051 K1052 K1057 L1058 E1059 | L1051-K1055 WeakPolarHBondContact O-CB 3.25Å; L1051-K1055 PolarHBondContact O-N 3.42Å; K1052-K1055 WeakPolarHBondContact O-CB 3.42Å; K1052-K1055 PolarHBondContact O-N 2.76Å; K1055-K1057 VanDerWaalsContact C-N 3.31Å; K1055-K1057 PolarHBondContact O-N 2.91Å; K1055-L1058 WeakPolarHBondContact O-CB 3.32Å; K1055-L1058 PolarHBondContact O-N 3.47Å; K1055-E1059 WeakPolarHBondContact CE-OE1 3.27Å; K1055-E1059 IonicContact NZ-OE1 3.86Å; K1055-E1059 PolarHBondContact NZ-OE1 3.44Å; K1055-E1059 IonicContact NZ-OE2 2.61Å; K1055-E1059 PolarHBondContact O-N 2.81Å |
| 1056 | E | 77.6 | Confident | 73 | Confident | 119 Ų | 119 | 121.5 Ų | 121.5 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -57.9 | -42.9 | 178.7 | -172.8 | 173.5 | -154.7 | 0 | 0 | 111.8 | K1052 L1058 E1059 E1060 | K1052-E1056 WeakPolarHBondContact O-CB 3.41Å; K1052-E1056 PolarHBondContact O-N 2.82Å; E1056-L1058 VanDerWaalsContact C-N 3.28Å; E1056-L1058 PolarHBondContact O-N 2.75Å; E1056-E1059 PolarHBondContact O-N 3.24Å; E1056-E1060 PolarHBondContact O-N 2.96Å |
| 1057 | K | 74.8 | Confident | 72.1 | Confident | 141 Ų | 141 | 124.8 Ų | 124.8 | 61% | 0.613 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.1 | -27.4 | 174.7 | -73.3 | 177.4 | 179.2 | -173.3 | 0 | 114.1 | R1053 Q1054 K1055 K1061 | R1053-K1057 VanDerWaalsContact O-CG 3.32Å; R1053-K1057 WeakPolarHBondContact O-CG 3.17Å; R1053-K1057 PolarHBondContact O-N 2.84Å; Q1054-K1057 PolarHBondContact O-N 3.39Å; K1055-K1057 VanDerWaalsContact C-N 3.31Å; K1055-K1057 PolarHBondContact O-N 2.91Å; K1057-K1061 WeakPolarHBondContact O-CG 3.5Å |
| 1058 | L | 73.1 | Confident | 70.7 | Confident | 106 Ų | 106 | 127 Ų | 127 | 56% | 0.555 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -80 | -37.3 | 174 | -72.3 | 170.4 | 0 | 0 | 0 | 111.2 | Q1054 K1055 E1056 K1061 I1062 | Q1054-L1058 WeakPolarHBondContact O-CG 3.41Å; Q1054-L1058 PolarHBondContact O-N 2.96Å; K1055-L1058 WeakPolarHBondContact O-CB 3.32Å; K1055-L1058 PolarHBondContact O-N 3.47Å; E1056-L1058 VanDerWaalsContact C-N 3.28Å; E1056-L1058 PolarHBondContact O-N 2.75Å; L1058-K1061 PolarHBondContact O-N 3.48Å; L1058-I1062 WeakPolarHBondContact O-CG1 3.22Å; L1058-I1062 PolarHBondContact O-N 3.33Å; L1058-I1062 VanDerWaalsContact O-N 3.09Å |
| 1059 | E | 70.9 | Confident | 68.6 | Low | 86 Ų | 86 | 132 Ų | 132 | 40% | 0.402 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.5 | -40.2 | 174.4 | -73.5 | 177.5 | 174.7 | 0 | 0 | 111.7 | K1055 E1056 K1061 I1062 M1063 | K1055-E1059 WeakPolarHBondContact CE-OE1 3.27Å; K1055-E1059 IonicContact NZ-OE1 3.86Å; K1055-E1059 PolarHBondContact NZ-OE1 3.44Å; K1055-E1059 IonicContact NZ-OE2 2.61Å; K1055-E1059 PolarHBondContact O-N 2.81Å; E1056-E1059 PolarHBondContact O-N 3.24Å; E1059-K1061 VanDerWaalsContact C-N 3.34Å; E1059-K1061 PolarHBondContact O-N 2.79Å; E1059-I1062 PolarHBondContact O-N 3.36Å; E1059-M1063 WeakPolarHBondContact O-CB 3.2Å; E1059-M1063 WeakPolarHBondContact O-CG 3.41Å; E1059-M1063 PolarHBondContact O-N 2.88Å |
| 1060 | E | 68.7 | Low | 66.2 | Low | 120 Ų | 120 | 137.6 Ų | 137.6 | 56% | 0.561 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -56.5 | -46.7 | 171.9 | -86.8 | -174.4 | 146.3 | 0 | 0 | 112 | E1056 I1062 M1063 E1064 | E1056-E1060 PolarHBondContact O-N 2.96Å; E1060-I1062 VanDerWaalsContact C-N 3.3Å; E1060-I1062 PolarHBondContact O-N 2.75Å; E1060-M1063 PolarHBondContact O-N 2.82Å; E1060-E1064 PolarHBondContact O-N 2.79Å |
| 1061 | K | 74.5 | Confident | 63.7 | Low | 146 Ų | 146 | 136.9 Ų | 136.9 | 64% | 0.635 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -62.9 | -35.4 | 178.7 | -73.6 | 179.1 | 178.4 | -175 | 0 | 113.2 | K1057 L1058 E1059 | K1057-K1061 WeakPolarHBondContact O-CG 3.5Å; L1058-K1061 PolarHBondContact O-N 3.48Å; E1059-K1061 VanDerWaalsContact C-N 3.34Å; E1059-K1061 PolarHBondContact O-N 2.79Å |
| 1062 | I | 66.7 | Low | 61.4 | Low | 90 Ų | 90 | 136.4 Ų | 136.4 | 46% | 0.462 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -76.5 | -42.8 | 178.2 | -66.7 | 167.9 | 0 | 0 | 0 | 110 | L1058 E1059 E1060 E1064 Q1065 Y1066 | L1058-I1062 WeakPolarHBondContact O-CG1 3.22Å; L1058-I1062 PolarHBondContact O-N 3.33Å; L1058-I1062 VanDerWaalsContact O-N 3.09Å; E1059-I1062 PolarHBondContact O-N 3.36Å; E1060-I1062 VanDerWaalsContact C-N 3.3Å; E1060-I1062 PolarHBondContact O-N 2.75Å; I1062-E1064 VanDerWaalsContact C-N 3.31Å; I1062-E1064 PolarHBondContact O-N 3.43Å; I1062-Q1065 WeakPolarHBondContact O-CB 3.46Å; I1062-Q1065 PolarHBondContact O-N 3.35Å; I1062-Y1066 HydrophobicContact CG2-CD2 3.81Å; I1062-Y1066 HydrophobicContact CG2-CE2 3.77Å; I1062-Y1066 WeakPolarHBondContact O-CD2 3.31Å; I1062-Y1066 PolarHBondContact O-N 3.46Å |
| 1063 | M | 60.9 | Low | 58.9 | Low | 131 Ų | 131 | 139.3 Ų | 139.3 | 65% | 0.645 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.5 | -30.7 | 179.6 | -73.3 | -155.4 | -63.9 | 0 | 0 | 112.8 | E1059 E1060 Q1065 Y1066 K1067 | E1059-M1063 WeakPolarHBondContact O-CB 3.2Å; E1059-M1063 WeakPolarHBondContact O-CG 3.41Å; E1059-M1063 PolarHBondContact O-N 2.88Å; E1060-M1063 PolarHBondContact O-N 2.82Å; M1063-Q1065 VanDerWaalsContact C-N 3.29Å; M1063-Q1065 PolarHBondContact O-N 3.22Å; M1063-Y1066 PolarHBondContact O-N 3.48Å; M1063-K1067 PolarHBondContact O-N 2.91Å |
| 1064 | E | 58 | Low | 56.4 | Low | 146 Ų | 146 | 143.3 Ų | 143.3 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -64.4 | -31.9 | 170.6 | -92.7 | 173.8 | 155.2 | 0 | 0 | 113 | E1060 I1062 | E1060-E1064 PolarHBondContact O-N 2.79Å; I1062-E1064 VanDerWaalsContact C-N 3.31Å; I1062-E1064 PolarHBondContact O-N 3.43Å |
| 1065 | Q | 54.6 | Low | 53.9 | Low | 151 Ų | 151 | 147 Ų | 147 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72.7 | -35.2 | 174.2 | -79.9 | -169.2 | -31.7 | 0 | 0 | 113.3 | I1062 M1063 | I1062-Q1065 WeakPolarHBondContact O-CB 3.46Å; I1062-Q1065 PolarHBondContact O-N 3.35Å; M1063-Q1065 VanDerWaalsContact C-N 3.29Å; M1063-Q1065 PolarHBondContact O-N 3.22Å |
| 1066 | Y | 56.6 | Low | 51.4 | Low | 186 Ų | 186 | 149.8 Ų | 149.8 | 73% | 0.729 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -81.8 | -9.7 | -178 | -80.2 | -79.8 | 0 | 0 | 0 | 114.4 | I1062 M1063 I1068 | I1062-Y1066 HydrophobicContact CG2-CD2 3.81Å; I1062-Y1066 HydrophobicContact CG2-CE2 3.77Å; I1062-Y1066 WeakPolarHBondContact O-CD2 3.31Å; I1062-Y1066 PolarHBondContact O-N 3.46Å; M1063-Y1066 PolarHBondContact O-N 3.48Å; Y1066-I1068 VanDerWaalsContact C-N 3.29Å; Y1066-I1068 PolarHBondContact O-N 2.74Å |
| 1067 | K | 60.9 | Low | 49 | Very low | 186 Ų | 186 | 155.6 Ų | 155.6 | 81% | 0.809 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -4.2 | -177.1 | -161.3 | 171.8 | 178.1 | -177.4 | 0 | 114.7 | M1063 | M1063-K1067 PolarHBondContact O-N 2.91Š|
| 1068 | I | 53.3 | Low | 46.8 | Very low | 149 Ų | 149 | 158.1 Ų | 158.1 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -3.9 | -173 | -65.1 | 171.2 | 0 | 0 | 0 | 113.8 | Y1066 | Y1066-I1068 VanDerWaalsContact C-N 3.29Å; Y1066-I1068 PolarHBondContact O-N 2.74Å |
| 1069 | M | 38.8 | Very low | 44.7 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 84% | 0.842 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -137.2 | 111.7 | 179.6 | -152.5 | 111.2 | 63.4 | 0 | 0 | 113.1 | ||
| 1070 | E | 29.1 | Very low | 42.8 | Very low | 183 Ų | 183 | 162 Ų | 162 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | 13.5 | 117.7 | 167.8 | -72.2 | 178.1 | 141.8 | 0 | 0 | 124.1 | ||||
| 1071 | S | 26.9 | Very low | 40.7 | Very low | 105 Ų | 105 | 162.9 Ų | 162.9 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | 34.8 | 145.6 | 104.9 | 166.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1072 | P | 30.6 | Very low | 38.4 | Very low | 104 Ų | 104 | 165 Ų | 165 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | cis | -147.1 | 167.5 | -13.6 | 42.5 | -22.1 | 0 | 0 | 0 | 118.7 | ||||
| 1073 | K | 25.5 | Very low | 36.6 | Very low | 193 Ų | 193 | 172 Ų | 172 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | 74.2 | 120 | 151.4 | -46 | -154.1 | -180 | 172.4 | 0 | 123.1 | ||||
| 1074 | R | 26.1 | Very low | 35 | Very low | 244 Ų | 244 | 171.1 Ų | 171.1 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | 151.5 | 112.6 | 123.3 | -87.9 | 176.4 | 167 | 150.4 | -4.1 | 110.1 | |||||
| 1075 | K | 25.5 | Very low | 33.8 | Very low | 206 Ų | 206 | 168.7 Ų | 168.7 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | 52.9 | 111.1 | 80.8 | -103.5 | -176.7 | 179.5 | 177.9 | 0 | 114.7 | |||||
| 1076 | E | 25.9 | Very low | 32.5 | Very low | 182 Ų | 182 | 172 Ų | 172 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | 149.6 | 104.4 | 140.8 | -163.2 | 157.8 | -151.4 | 0 | 0 | 112 | ||||
| 1077 | R | 27 | Very low | 31.2 | Very low | 241 Ų | 241 | 167 Ų | 167 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | 48.8 | 114.8 | 103.9 | -62.2 | -174.1 | 174.4 | -158.9 | -1 | 116.9 | |||||
| 1078 | Q | 29.8 | Very low | 29.6 | Very low | 194 Ų | 194 | 167.4 Ų | 167.4 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | trans | -159.4 | 139.2 | 137 | -152 | 166.1 | 9 | 0 | 0 | 112.6 | ||||
| 1079 | A | 28.7 | Very low | 28.3 | Very low | 92 Ų | 92 | 167 Ų | 167 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | trans | -100.1 | 137.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1080 | F | 30.2 | Very low | 28.1 | Very low | 182 Ų | 182 | 165 Ų | 165 | 80% | 0.798 | 82% | 0.824 | S | S | * | * | trans | -139.7 | 98.6 | 164.6 | -147.4 | -92.3 | 0 | 0 | 0 | 106.7 | ||||
| 1081 | M | 24.9 | Very low | 28 | Very low | 138 Ų | 138 | 167.6 Ų | 167.6 | 68% | 0.68 | 83% | 0.826 | S | S | * | * | 66.4 | 101.2 | 101.7 | -88 | -159.2 | -77.4 | 0 | 0 | 117.4 | |||||
| 1082 | K | 26.8 | Very low | 28.2 | Very low | 190 Ų | 190 | 166.9 Ų | 166.9 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | 47.5 | 138.3 | 117.4 | -71.5 | -178 | 178.2 | 176.6 | 0 | 121.5 | |||||
| 1083 | R | 28.2 | Very low | 28.2 | Very low | 238 Ų | 238 | 166.7 Ų | 166.7 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | 95.1 | 99.7 | 146.6 | -77.9 | 169.8 | 175.7 | 166.6 | -2.1 | 119.2 | ||||
| 1084 | A | 28.5 | Very low | 28.4 | Very low | 113 Ų | 113 | 164.2 Ų | 164.2 | 93% | 0.934 | 82% | 0.822 | S | S | * | * | trans | -160.8 | 72.8 | 132 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1085 | A | 30.8 | Very low | 28.8 | Very low | 94 Ų | 94 | 164.3 Ų | 164.3 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -129.8 | 124 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||
| 1086 | K | 28 | Very low | 28.8 | Very low | 221 Ų | 221 | 163.3 Ų | 163.3 | 96% | 0.961 | 82% | 0.819 | S | S | * | * | trans | 58.3 | 85.5 | 159.8 | -125.5 | 126.4 | 171.6 | 176.9 | 0 | 115.1 | ||||
| 1087 | A | 29.5 | Very low | 29.2 | Very low | 81 Ų | 81 | 161.8 Ų | 161.8 | 67% | 0.669 | 82% | 0.822 | S | S | * | * | trans | -129.8 | 121.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1088 | F | 26.8 | Very low | 29.3 | Very low | 195 Ų | 195 | 158.2 Ų | 158.2 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | 57.8 | 108.5 | 158.7 | -59.5 | -81.8 | 0 | 0 | 0 | 118.2 | ||||
| 1089 | I | 27.4 | Very low | 29.5 | Very low | 141 Ų | 141 | 154.3 Ų | 154.3 | 72% | 0.723 | 81% | 0.807 | S | S | * | * | 49.8 | 117.4 | 61.5 | -52.5 | -179 | 0 | 0 | 0 | 113.2 | |||||
| 1090 | P | 34.1 | Very low | 29.5 | Very low | 128 Ų | 128 | 159.8 Ų | 159.8 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | -127.1 | 100.7 | 115.1 | 32 | -20.4 | 0 | 0 | 0 | 111.4 | |||||
| 1091 | R | 27.3 | Very low | 29.8 | Very low | 238 Ų | 238 | 156.2 Ų | 156.2 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -109.6 | 82.8 | 138.3 | -89.7 | -176.1 | 160.8 | 171.9 | -4.5 | 105.6 | ||||
| 1092 | A | 30.8 | Very low | 29.9 | Very low | 89 Ų | 89 | 158.2 Ų | 158.2 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | -76.9 | 116.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1093 | S | 29.5 | Very low | 30 | Very low | 100 Ų | 100 | 157.3 Ų | 157.3 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | 50.7 | 99.6 | 75.5 | -164.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1094 | L | 30.6 | Very low | 30 | Very low | 142 Ų | 142 | 150.8 Ų | 150.8 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | 162.6 | 118.4 | 106.7 | -146.1 | 70.1 | 0 | 0 | 0 | 112.2 | |||||
| 1095 | R | 33.7 | Very low | 30 | Very low | 246 Ų | 246 | 150.9 Ų | 150.9 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | 145.8 | 89.5 | 157.4 | -84.5 | -173.6 | -144.7 | -157.7 | 7.9 | 105.2 | ||||
| 1096 | K | 26.1 | Very low | 29.9 | Very low | 185 Ų | 185 | 150 Ų | 150 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | 52.1 | 77.6 | 52.6 | -95.5 | -171.4 | -177.4 | 179.3 | 0 | 112.4 | |||||
| 1097 | T | 34.5 | Very low | 30.1 | Very low | 150 Ų | 150 | 148 Ų | 148 | 92% | 0.92 | 79% | 0.786 | S | S | * | * | -120.9 | 126.6 | 125.8 | 51.4 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 1098 | K | 28.7 | Very low | 30 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -132.4 | 110.4 | -174.6 | 174.3 | 176.8 | 178.6 | 178 | 0 | 106.6 | ||||
| 1099 | S | 33.5 | Very low | 30.2 | Very low | 112 Ų | 112 | 147 Ų | 147 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -157.6 | 95.2 | 153.4 | 48.6 | 0 | 0 | 0 | 0 | 103 | ||||
| 1100 | R | 30.3 | Very low | 30.4 | Very low | 206 Ų | 206 | 146.8 Ų | 146.8 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | 36.8 | 137.8 | 73.9 | -88.1 | -161.4 | 179.9 | -155.8 | -1 | 113.5 | |||||
| 1101 | P | 36.1 | Very low | 30.4 | Very low | 107 Ų | 107 | 147 Ų | 147 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | cis | -137.6 | 160.8 | -33.9 | 31 | -10.9 | 0 | 0 | 0 | 113.6 | E1103 | P1101-E1103 PolarHBondContact O-N 3.35Š| ||
| 1102 | L | 27.4 | Very low | 30.6 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 94% | 0.942 | 79% | 0.787 | S | S | * | * | trans | -66.1 | 117.7 | 166 | -155.2 | 75.6 | 0 | 0 | 0 | 109.1 | ||||
| 1103 | E | 27.7 | Very low | 30.8 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -141.4 | 91.8 | 168.6 | -163.5 | 163.6 | -152.9 | 0 | 0 | 103.2 | P1101 | P1101-E1103 PolarHBondContact O-N 3.35Š| ||
| 1104 | S | 29.2 | Very low | 31 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | 59.4 | 131.6 | 83.2 | 74.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1105 | S | 27.1 | Very low | 31.2 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 87.1 | 100.2 | 171.5 | -139.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1106 | A | 28.8 | Very low | 31.3 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | 64 | 109.5 | 64.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1107 | E | 32.1 | Very low | 31.6 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 85.9 | 141.8 | 138.4 | -63.8 | 173.9 | -172.4 | 0 | 0 | 120.2 | ||||
| 1108 | D | 27.9 | Very low | 31.2 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | 75.9 | 100.1 | 163.1 | -68.7 | -15.1 | 0 | 0 | 0 | 120.4 | ||||
| 1109 | S | 32.4 | Very low | 31.6 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | -155.6 | 92.9 | 128.8 | -69.8 | 0 | 0 | 0 | 0 | 109.5 | V1111 | S1109-V1111 PolarHBondContact O-N 3.46Š| |||
| 1110 | T | 30.6 | Very low | 31.3 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | -53.4 | 121.6 | 149.1 | 32.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1111 | V | 34.9 | Very low | 31.4 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -122.7 | 98.5 | 157.4 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | S1109 | S1109-V1111 PolarHBondContact O-N 3.46Š| ||
| 1112 | S | 30.4 | Very low | 31.2 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -69.2 | 131.2 | 149.4 | 176.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1113 | A | 35.6 | Very low | 31.5 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 60% | 0.603 | 76% | 0.764 | S | S | * | * | trans | 169.9 | 102.3 | 147.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1114 | D | 33.9 | Very low | 31.6 | Very low | 157 Ų | 157 | 124.5 Ų | 124.5 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | -174.5 | 74.4 | 128.6 | -89.2 | -16.1 | 0 | 0 | 0 | 108.5 | |||||
| 1115 | E | 33.6 | Very low | 31.6 | Very low | 204 Ų | 204 | 127.3 Ų | 127.3 | 95% | 0.953 | 77% | 0.773 | S | S | * | * | trans | -119.4 | 107.6 | 143.8 | -82.9 | -145.2 | 158 | 0 | 0 | 107.5 | ||||
| 1116 | S | 37.2 | Very low | 31.7 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -149 | 116.5 | 159.2 | 66.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1117 | G | 32.7 | Very low | 32 | Very low | 77 Ų | 77 | 127.4 Ų | 127.4 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 168 | 47.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1119 | G1117-H1119 PolarHBondContact O-N 2.79Š| ||
| 1118 | F | 25.8 | Very low | 31.9 | Very low | 182 Ų | 182 | 124.5 Ų | 124.5 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | -76.3 | 107.3 | 170.3 | -175.2 | -111 | 0 | 0 | 0 | 109.9 | T1120 | F1118-T1120 HydrophobicContact CD1-CG2 3.39Å; F1118-T1120 HydrophobicContact CD2-CG2 4.38Å; F1118-T1120 HydrophobicContact CE1-CG2 2.96Å; F1118-T1120 HydrophobicContact CE2-CG2 4.03Å; F1118-T1120 HydrophobicContact CG-CG2 4.1Å; F1118-T1120 HydrophobicContact CZ-CG2 3.32Å | ||
| 1119 | H | 36.6 | Very low | 32 | Very low | 182 Ų | 182 | 121.7 Ų | 121.7 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -126.3 | 93.8 | 151 | -75.8 | -65.6 | 0 | 0 | 0 | 105 | G1117 | G1117-H1119 PolarHBondContact O-N 2.79Š| ||
| 1120 | T | 27.8 | Very low | 31.8 | Very low | 73 Ų | 73 | 125.6 Ų | 125.6 | 45% | 0.448 | 78% | 0.78 | S | S | . | * | 41.6 | 131.7 | 83.2 | 64.6 | 0 | 0 | 0 | 0 | 117.2 | F1118 | F1118-T1120 HydrophobicContact CD1-CG2 3.39Å; F1118-T1120 HydrophobicContact CD2-CG2 4.38Å; F1118-T1120 HydrophobicContact CE1-CG2 2.96Å; F1118-T1120 HydrophobicContact CE2-CG2 4.03Å; F1118-T1120 HydrophobicContact CG-CG2 4.1Å; F1118-T1120 HydrophobicContact CZ-CG2 3.32Å | |||
| 1121 | N | 31.3 | Very low | 31.9 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | 94.7 | 88.8 | 154 | -72.5 | 14.7 | 0 | 0 | 0 | 119.1 | ||||
| 1122 | S | 32.9 | Very low | 31.7 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | 55.5 | 100.5 | 106.6 | 69.7 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1123 | G | 33 | Very low | 31.5 | Very low | 63 Ų | 63 | 126 Ų | 126 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | -156.9 | 109.5 | 129.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 1124 | C | 30.4 | Very low | 31.3 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | 47.9 | 133 | 74.3 | 88.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1125 | D | 28.3 | Very low | 31.1 | Very low | 161 Ų | 161 | 129.3 Ų | 129.3 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | cis | -170.9 | 159 | -6.4 | -146.3 | -18.9 | 0 | 0 | 0 | 105.5 | ||||
| 1126 | G | 28.8 | Very low | 30.9 | Very low | 61 Ų | 61 | 128.8 Ų | 128.8 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | trans | 26.7 | 114.2 | 159 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1127 | T | 35.6 | Very low | 30.6 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | -156.7 | 103.4 | 108.4 | 48.1 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 1128 | S | 29.6 | Very low | 30.5 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | 58.1 | 122.8 | 83.4 | 70.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1129 | G | 30 | Very low | 30.7 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | 140.9 | 68.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1130 | K | 28.5 | Very low | 30.4 | Very low | 197 Ų | 197 | 129.3 Ų | 129.3 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -50.1 | 150.9 | 160.8 | -67.3 | 166.4 | 173.6 | 174 | 0 | 110.8 | ||||
| 1131 | I | 33.4 | Very low | 30.5 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | -177.7 | 115.2 | 119.2 | -86.1 | 151.5 | 0 | 0 | 0 | 110.5 | |||||
| 1132 | N | 30.4 | Very low | 30.4 | Very low | 136 Ų | 136 | 134 Ų | 134 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 55.8 | 104.5 | 140.1 | -57.1 | -8.7 | 0 | 0 | 0 | 122.1 | ||||
| 1133 | S | 26.2 | Very low | 30.5 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -53.8 | 130 | 130.3 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1134 | T | 31.3 | Very low | 30.4 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | 174.4 | 105.4 | 131.7 | 30.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1135 | L | 29.9 | Very low | 30.4 | Very low | 169 Ų | 169 | 148 Ų | 148 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -161.5 | 92.9 | 152.3 | -123.2 | 147.6 | 0 | 0 | 0 | 109.8 | ||||
| 1136 | H | 29.1 | Very low | 30.9 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -127.2 | 101.2 | 156.1 | -121.7 | -75.2 | 0 | 0 | 0 | 104.4 | ||||
| 1137 | D | 31.2 | Very low | 31 | Very low | 150 Ų | 150 | 153.2 Ų | 153.2 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -139.7 | 136.4 | 157 | -162.5 | 9.4 | 0 | 0 | 0 | 109 | ||||
| 1138 | S | 30.6 | Very low | 30.9 | Very low | 100 Ų | 100 | 155.4 Ų | 155.4 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | -129.6 | 117.3 | -166.6 | 46 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1139 | G | 29.8 | Very low | 31.2 | Very low | 70 Ų | 70 | 155.5 Ų | 155.5 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | 153.8 | 117.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1140 | R | 29.7 | Very low | 31.2 | Very low | 246 Ų | 246 | 161.5 Ų | 161.5 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | 72.7 | 114.5 | 150.5 | -54.5 | 178.4 | -169.2 | -112.6 | 1.1 | 116.8 | ||||
| 1141 | F | 30 | Very low | 31.7 | Very low | 176 Ų | 176 | 161.1 Ų | 161.1 | 77% | 0.772 | 82% | 0.819 | S | S | * | * | -167.2 | 123.1 | 103.3 | -148.8 | -117.6 | 0 | 0 | 0 | 110.5 | D1143 | F1141-D1143 HydrophobicContact CD1-CB 3.99Å; F1141-D1143 HydrophobicContact CE1-CB 3.69Å; F1141-D1143 WeakPolarHBondContact CE1-OD2 3.21Å; F1141-D1143 VanDerWaalsContact CZ-OD2 3.24Å; F1141-D1143 WeakPolarHBondContact CZ-OD2 3.31Å | |||
| 1142 | V | 29.1 | Very low | 31.7 | Very low | 139 Ų | 139 | 157.6 Ų | 157.6 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | trans | -104.6 | 112.7 | 168.3 | 167.9 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1143 | D | 35.8 | Very low | 31.7 | Very low | 115 Ų | 115 | 159.3 Ų | 159.3 | 62% | 0.615 | 83% | 0.828 | S | S | * | * | trans | -142.6 | 101.8 | 162.3 | -105.8 | -25.1 | 0 | 0 | 0 | 111.8 | F1141 | F1141-D1143 HydrophobicContact CD1-CB 3.99Å; F1141-D1143 HydrophobicContact CE1-CB 3.69Å; F1141-D1143 WeakPolarHBondContact CE1-OD2 3.21Å; F1141-D1143 VanDerWaalsContact CZ-OD2 3.24Å; F1141-D1143 WeakPolarHBondContact CZ-OD2 3.31Å | ||
| 1144 | R | 31.8 | Very low | 32 | Very low | 227 Ų | 227 | 159.9 Ų | 159.9 | 86% | 0.857 | 83% | 0.832 | S | S | * | * | 50 | 96.8 | 123.1 | -161.1 | 170.3 | -116.2 | -113.4 | 1.2 | 118.3 | |||||
| 1145 | W | 28.7 | Very low | 32.2 | Very low | 248 Ų | 248 | 158.8 Ų | 158.8 | 94% | 0.939 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 135.3 | 159.6 | -75.9 | -8.1 | 0 | 0 | 0 | 113.8 | ||
| 1146 | P | 38.6 | Very low | 32.1 | Very low | 122 Ų | 122 | 158.5 Ų | 158.5 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 137.7 | 162.3 | 19.7 | -3.6 | 0 | 0 | 0 | 111.9 | ||
| 1147 | K | 32.8 | Very low | 32.5 | Very low | 211 Ų | 211 | 157.5 Ų | 157.5 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 128.7 | -179 | -68.4 | 170.1 | 175.6 | 174 | 0 | 111.7 | ||
| 1148 | M | 31.6 | Very low | 32.5 | Very low | 178 Ų | 178 | 155.9 Ų | 155.9 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 140.7 | 168.4 | -76.3 | -76.4 | -134 | 0 | 0 | 111.5 | ||
| 1149 | P | 36 | Very low | 32.4 | Very low | 119 Ų | 119 | 156.6 Ų | 156.6 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 140.9 | -180 | 3.7 | 15.1 | 0 | 0 | 0 | 112.5 | ||
| 1150 | K | 31.2 | Very low | 32.5 | Very low | 207 Ų | 207 | 164.7 Ų | 164.7 | 90% | 0.9 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 129.7 | 172.9 | -62.3 | 170.4 | 177.7 | 176.3 | 0 | 109.9 | ||
| 1151 | M | 38.7 | Very low | 32.5 | Very low | 189 Ų | 189 | 161.8 Ų | 161.8 | 93% | 0.931 | 83% | 0.834 | S | S | * | * | trans | -125.3 | 140.7 | 161.2 | -75.8 | -72.6 | -95.3 | 0 | 0 | 109 | ||||
| 1152 | G | 33.9 | Very low | 32.5 | Very low | 77 Ų | 77 | 157.6 Ų | 157.6 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | -85.9 | 160.8 | -151.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1153 | L | 29.7 | Very low | 32.8 | Very low | 172 Ų | 172 | 158.9 Ų | 158.9 | 90% | 0.901 | 83% | 0.828 | S | S | * | * | trans | -63.9 | 139.7 | 166.1 | -63.4 | 154.1 | 0 | 0 | 0 | 110.6 | ||||
| 1154 | S | 32.3 | Very low | 32.4 | Very low | 120 Ų | 120 | 158.9 Ų | 158.9 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | -174.6 | 148.8 | 125.5 | -76.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1155 | P | 35.8 | Very low | 32.4 | Very low | 107 Ų | 107 | 155.9 Ų | 155.9 | 70% | 0.695 | 83% | 0.833 | S | S | * | * | trans | -120.6 | 168.6 | -158.3 | 35.1 | -16.3 | 0 | 0 | 0 | 115.4 | ||||
| 1156 | L | 28.7 | Very low | 32.4 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | 51.5 | 106.2 | 144.5 | -71.1 | 162.6 | 0 | 0 | 0 | 119.2 | ||||
| 1157 | L | 37.5 | Very low | 32.1 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | -147.3 | 118.3 | 140.4 | -88.2 | 179.5 | 0 | 0 | 0 | 112.6 | ||||
| 1158 | S | 30 | Very low | 32 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | trans | 66.9 | 116.3 | 138.7 | -91.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1159 | S | 28.9 | Very low | 32.1 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -63 | 155 | 161 | -48.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1160 | R | 31.8 | Very low | 31.9 | Very low | 240 Ų | 240 | 138 Ų | 138 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | trans | 133.2 | 131.4 | 155.9 | -82.3 | 176.1 | -158.5 | -151 | 1.7 | 107.2 | ||||
| 1161 | K | 30.7 | Very low | 32.1 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 81% | 0.809 | 82% | 0.817 | S | S | * | * | cis | -165.3 | 141.6 | 29.7 | -145 | 172.5 | 179.6 | -176.4 | 0 | 106.6 | ||||
| 1162 | A | 29.1 | Very low | 31.7 | Very low | 87 Ų | 87 | 128.3 Ų | 128.3 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | trans | -81.2 | 139.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1163 | H | 35.4 | Very low | 31.6 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -166.2 | 97.5 | 149.1 | -82.9 | -63.8 | 0 | 0 | 0 | 105.2 | ||||
| 1164 | T | 28.2 | Very low | 31.7 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 71% | 0.712 | 81% | 0.813 | S | S | * | * | 56.8 | 130.8 | 93 | 59.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1165 | L | 32 | Very low | 31.8 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | 94.5 | 100.7 | 166.8 | -50.3 | 176.5 | 0 | 0 | 0 | 113.5 | ||||
| 1166 | S | 27.4 | Very low | 31.5 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | 97.3 | 136.6 | 62.4 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1167 | A | 31.8 | Very low | 31.5 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | trans | 88.4 | 89.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1168 | S | 32.3 | Very low | 31.3 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | 167.1 | 118.2 | 125.3 | 48.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1169 | G | 33.1 | Very low | 31.5 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -169.7 | 66.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | G1171 | G1169-G1171 PolarHBondContact O-N 3.49Š| ||
| 1170 | G | 31.5 | Very low | 31.6 | Very low | 87 Ų | 87 | 130.8 Ų | 130.8 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -70.6 | 103.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1171 | G | 34.7 | Very low | 31.8 | Very low | 67 Ų | 67 | 124.8 Ų | 124.8 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | trans | -99.5 | 108.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | G1169 F1173 | G1169-G1171 PolarHBondContact O-N 3.49Å; G1171-F1173 PolarHBondContact O-N 2.81Å | ||
| 1172 | S | 30.4 | Very low | 32 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -62.5 | 116.4 | 166 | -55.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1173 | F | 31.9 | Very low | 32.3 | Very low | 204 Ų | 204 | 132.2 Ų | 132.2 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | trans | -117.5 | 101.3 | 168 | -115.7 | -91.5 | 0 | 0 | 0 | 108.3 | G1171 G1175 | G1171-F1173 PolarHBondContact O-N 2.81Å; F1173-G1175 PolarHBondContact O-N 3.33Å | ||
| 1174 | S | 33.3 | Very low | 32.2 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | -61.1 | 111.3 | 158.2 | 41.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1175 | G | 34.1 | Very low | 32.6 | Very low | 78 Ų | 78 | 128 Ų | 128 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -95.8 | 101.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F1173 | F1173-G1175 PolarHBondContact O-N 3.33Š| ||
| 1176 | D | 29.7 | Very low | 32.6 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -82.6 | 140.4 | 160 | -84.3 | -35.1 | 0 | 0 | 0 | 110.3 | ||||
| 1177 | G | 28.2 | Very low | 32.7 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | 86.8 | 110.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1178 | S | 33.5 | Very low | 32.9 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | -163.4 | 115.9 | 123.2 | 44.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1179 | T | 33.5 | Very low | 32.8 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 85% | 0.847 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 132.8 | 171 | -37.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1180 | F | 30.3 | Very low | 32.8 | Very low | 203 Ų | 203 | 139.7 Ų | 139.7 | 89% | 0.89 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 126.3 | 174.3 | -102.4 | -99 | 0 | 0 | 0 | 111.9 | ||
| 1181 | P | 36.9 | Very low | 32.7 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -90 | 125.9 | 172.4 | 32.1 | -27.5 | 0 | 0 | 0 | 111.5 | L1183 | P1181-L1183 PolarHBondContact O-N 2.87Š|
| 1182 | R | 34.1 | Very low | 32.7 | Very low | 244 Ų | 244 | 151.6 Ų | 151.6 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 125.3 | 168.2 | -85.3 | 175.5 | 161.6 | 159.4 | -5.1 | 111.3 | S1184 | R1182-S1184 PolarHBondContact O-N 2.9Š|
| 1183 | L | 36.7 | Very low | 32.7 | Very low | 184 Ų | 184 | 152.3 Ų | 152.3 | 96% | 0.963 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 117.7 | 161.4 | -84.8 | 151.3 | 0 | 0 | 0 | 108.9 | P1181 | P1181-L1183 PolarHBondContact O-N 2.87Š|
| 1184 | S | 32 | Very low | 32.9 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | trans | -110.6 | 155.9 | 172.7 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | R1182 | R1182-S1184 PolarHBondContact O-N 2.9Š| ||
| 1185 | A | 36.3 | Very low | 32.7 | Very low | 87 Ų | 87 | 153.7 Ų | 153.7 | 72% | 0.719 | 83% | 0.83 | S | S | * | * | trans | 77.4 | 86.3 | 163 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1186 | F | 32.1 | Very low | 32.4 | Very low | 210 Ų | 210 | 154 Ų | 154 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -119.9 | 111.8 | 136.7 | -130 | -96.3 | 0 | 0 | 0 | 108.7 | ||||
| 1187 | Q | 31.3 | Very low | 32.8 | Very low | 176 Ų | 176 | 151.3 Ų | 151.3 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -101.6 | 108.8 | -170.2 | -174.7 | -179.9 | 2.9 | 0 | 0 | 107.6 | ||||
| 1188 | M | 34.3 | Very low | 32.7 | Very low | 169 Ų | 169 | 153.2 Ų | 153.2 | 83% | 0.833 | 82% | 0.818 | S | S | * | * | trans | -115.8 | 111.7 | 164.9 | -89.9 | -92 | 179.6 | 0 | 0 | 107.5 | ||||
| 1189 | S | 30 | Very low | 32.6 | Very low | 103 Ų | 103 | 153 Ų | 153 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | trans | -88.2 | 115.4 | -179.1 | -160.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1190 | L | 33.8 | Very low | 32.3 | Very low | 166 Ų | 166 | 152 Ų | 152 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -131.5 | 101.9 | 164.1 | -94.5 | 152.8 | 0 | 0 | 0 | 107.5 | ||||
| 1191 | R | 29.1 | Very low | 32.4 | Very low | 214 Ų | 214 | 148.4 Ų | 148.4 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | trans | -68.8 | 133.7 | 165 | -74.9 | -178.9 | 179.2 | -172.6 | -1.5 | 108.9 | ||||
| 1192 | H | 36.1 | Very low | 32.1 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | -154.2 | 125.4 | 135.9 | -115.3 | -74.8 | 0 | 0 | 0 | 109.7 | ||||
| 1193 | D | 29.5 | Very low | 32.1 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | -69.3 | 132.1 | 178.2 | -59.9 | -63.9 | 0 | 0 | 0 | 111.9 | ||||
| 1194 | L | 35.5 | Very low | 31.6 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -144.9 | 92.2 | 153.4 | -78.8 | 178.4 | 0 | 0 | 0 | 110 | ||||
| 1195 | Q | 30.5 | Very low | 31.6 | Very low | 182 Ų | 182 | 144 Ų | 144 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | 43.7 | 105.7 | 131 | -126.7 | 141.9 | -0.8 | 0 | 0 | 119.6 | ||||
| 1196 | A | 26.9 | Very low | 31.3 | Very low | 84 Ų | 84 | 148.2 Ų | 148.2 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | -72 | 175.5 | 145 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1197 | P | 37.5 | Very low | 31 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | cis | -144.5 | -175.6 | 6.4 | 42.3 | -21.9 | 0 | 0 | 0 | 115.7 | ||||
| 1198 | S | 26.7 | Very low | 30.9 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 74.2 | 101.5 | 144.9 | -52.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1199 | S | 31.7 | Very low | 30.7 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -150.7 | 97.5 | 134.4 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1200 | S | 27.5 | Very low | 30.6 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -71.8 | 121 | 160.8 | 60.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1201 | V | 32.2 | Very low | 30.4 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -126 | 101.3 | 158.6 | 179.3 | 0 | 0 | 0 | 0 | 106.3 | V1203 | V1201-V1203 HydrophobicContact CG1-CG2 4.35Š| ||
| 1202 | A | 30.2 | Very low | 30.6 | Very low | 88 Ų | 88 | 139.3 Ų | 139.3 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -69.3 | 129.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1203 | V | 33.4 | Very low | 30.3 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | trans | -128.2 | 94.4 | 159.1 | -179.7 | 0 | 0 | 0 | 0 | 106 | V1201 | V1201-V1203 HydrophobicContact CG1-CG2 4.35Š| ||
| 1204 | E | 27.7 | Very low | 30.2 | Very low | 188 Ų | 188 | 134.7 Ų | 134.7 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -80.2 | 120.9 | 161.5 | -72.3 | 177.2 | 144 | 0 | 0 | 107.8 | ||||
| 1205 | E | 31.6 | Very low | 29.8 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -147 | 112.4 | 152.2 | -130.5 | -169.4 | 161.2 | 0 | 0 | 112.2 | ||||
| 1206 | K | 30.7 | Very low | 30.2 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 63.8 | 108.5 | 141.1 | -73.6 | 171 | -171.5 | 153.1 | 0 | 121.5 | ||||
| 1207 | V | 24.6 | Very low | 30.4 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -54.5 | 130.2 | 148 | 175.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1208 | A | 30.2 | Very low | 30 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 65% | 0.653 | 80% | 0.796 | S | S | * | * | trans | 172.3 | 134.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1209 | D | 30.1 | Very low | 30.2 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | cis | -150.8 | 141.1 | 2.9 | -85.4 | -40.9 | 0 | 0 | 0 | 106.3 | ||||
| 1210 | V | 27.2 | Very low | 30.1 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -110.3 | 127.6 | 160.5 | 167 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1211 | L | 29.1 | Very low | 30.4 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | 168.6 | 151.2 | 140.8 | -89.7 | 160.8 | 0 | 0 | 0 | 112.9 | ||||
| 1212 | H | 33.7 | Very low | 30.3 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | 86.3 | 133.5 | 172.3 | -68.8 | -20.3 | 0 | 0 | 0 | 118.4 | ||||
| 1213 | C | 29.5 | Very low | 30.2 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | cis | -173.1 | 152.3 | -21.2 | -113.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1214 | T | 28.3 | Very low | 30.4 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -93.1 | 153.4 | -172.6 | 44.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1215 | D | 26.4 | Very low | 30.5 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 65.9 | 125.4 | 144.8 | -58.4 | -20.3 | 0 | 0 | 0 | 122.8 | ||||
| 1216 | A | 38.2 | Very low | 30.3 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -147 | 135.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1217 | T | 31.4 | Very low | 29.9 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -107.7 | 145.8 | -165.1 | 43.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1218 | S | 29.2 | Very low | 30.2 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | 24.6 | 141.8 | 143.7 | 63.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1219 | G | 31.1 | Very low | 30 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | 144.2 | 93.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1220 | D | 29.1 | Very low | 30.2 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | 58.1 | 113.8 | 96 | -79.2 | -15.3 | 0 | 0 | 0 | 117.1 | |||||
| 1221 | D | 33.7 | Very low | 30.2 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | 176 | 115.1 | 125 | -97.8 | -20 | 0 | 0 | 0 | 115.2 | |||||
| 1222 | S | 31.4 | Very low | 30.2 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | trans | 34.3 | 121.8 | 138.4 | 54.5 | 0 | 0 | 0 | 0 | 125 | ||||
| 1223 | S | 27.2 | Very low | 29.9 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | 93.8 | 148.1 | 124.3 | 79.7 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1224 | P | 37.7 | Very low | 30 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -117.7 | 159.5 | -131.8 | 41.4 | -32.9 | 0 | 0 | 0 | 114.5 | ||||
| 1225 | T | 30.7 | Very low | 30 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | trans | -145.6 | 128.3 | 159.7 | -61 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1226 | V | 26.3 | Very low | 30.4 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | trans | -41.5 | 130.6 | 173.2 | 173 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1227 | F | 23.4 | Very low | 30 | Very low | 177 Ų | 177 | 131.5 Ų | 131.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 35.4 | 110.1 | 131.9 | -124.3 | -96.9 | 0 | 0 | 0 | 119.3 | Q1229 | F1227-Q1229 HydrophobicContact CE1-CG 4.44Š| ||
| 1228 | V | 30.6 | Very low | 29.9 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 87% | 0.873 | 79% | 0.79 | S | S | * | * | trans | -135.7 | 109 | 156.8 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1229 | Q | 25 | Very low | 30 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | trans | -73.4 | 173 | 152.3 | -94.4 | 179.6 | -50.8 | 0 | 0 | 109.1 | F1227 | F1227-Q1229 HydrophobicContact CE1-CG 4.44Š| ||
| 1230 | P | 34.7 | Very low | 30.1 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | cis | -133.1 | -178.9 | -20.2 | 32.1 | -11.2 | 0 | 0 | 0 | 111.7 | ||||
| 1231 | S | 28.5 | Very low | 30.2 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | 160.1 | 121.1 | 130.7 | -93.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1232 | D | 27.3 | Very low | 30 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | 70.7 | 121 | 128.7 | -59.1 | -35.2 | 0 | 0 | 0 | 123.1 | |||||
| 1233 | E | 28.3 | Very low | 29.8 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | 84.3 | 129.3 | 137.6 | -69.8 | -169 | -163.8 | 0 | 0 | 121.5 | ||||
| 1234 | G | 32.4 | Very low | 29.9 | Very low | 78 Ų | 78 | 144.4 Ų | 144.4 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 157.1 | 75.1 | 170 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1235 | E | 28.4 | Very low | 29.3 | Very low | 183 Ų | 183 | 143 Ų | 143 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -57.8 | 137 | 172.9 | -61.3 | -172.9 | 131.2 | 0 | 0 | 112.9 | ||||
| 1236 | G | 33 | Very low | 29.2 | Very low | 73 Ų | 73 | 144 Ų | 144 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -151.9 | 73.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1238 | G1236-I1238 PolarHBondContact O-N 3.21Š| ||
| 1237 | K | 30.2 | Very low | 29.1 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | -68.8 | 116.8 | 174.2 | -78.2 | 170 | 177.7 | 159.6 | 0 | 110.2 | ||||
| 1238 | I | 30.6 | Very low | 29.3 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -120.7 | 110.8 | 161.7 | -61 | 176.1 | 0 | 0 | 0 | 107.3 | G1236 | G1236-I1238 PolarHBondContact O-N 3.21Š| ||
| 1239 | V | 30.9 | Very low | 29 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 134.6 | -177.6 | 173.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1240 | P | 32.4 | Very low | 29.2 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 118.6 | 173.1 | 3.7 | 15.1 | 0 | 0 | 0 | 111 | ||
| 1241 | T | 31.9 | Very low | 28.6 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 119.9 | 177.4 | 26.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1242 | K | 28.8 | Very low | 28.4 | Very low | 198 Ų | 198 | 145 Ų | 145 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 131.5 | 164.6 | -73 | 174.5 | 174 | 176.6 | 0 | 109.7 | ||
| 1243 | W | 27.2 | Very low | 28.6 | Very low | 248 Ų | 248 | 145 Ų | 145 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | -107.3 | 126.4 | 166.4 | -91.9 | 40.9 | 0 | 0 | 0 | 110.2 | ||||
| 1244 | I | 29.9 | Very low | 28.4 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -95.3 | 141.5 | -173.4 | -73.6 | 168.3 | 0 | 0 | 0 | 108.9 | ||||
| 1245 | A | 24 | Very low | 28.4 | Very low | 89 Ų | 89 | 143.2 Ų | 143.2 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | -60.1 | 137 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1246 | N | 29.2 | Very low | 28.2 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -145.1 | 133 | 160.7 | -115.2 | -1.6 | 0 | 0 | 0 | 111.4 | ||||
| 1247 | S | 24.3 | Very low | 28 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -67.1 | 145.1 | -177.8 | -46.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1248 | A | 27.9 | Very low | 27.7 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -162.3 | 121.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1249 | S | 23.7 | Very low | 27.7 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -53.1 | 141.4 | 168 | -69.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1250 | S | 30.2 | Very low | 27.5 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -163.4 | 96.4 | 145.6 | 21.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1251 | R | 22.6 | Very low | 27.3 | Very low | 250 Ų | 250 | 138.2 Ų | 138.2 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | trans | -104.3 | 88.3 | 170.9 | -174 | -173.3 | -85.2 | -141.2 | -1 | 107 | ||||
| 1252 | T | 23.9 | Very low | 27.1 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -160.6 | 128.5 | 160.5 | 46.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 1253 | T | 31.9 | Very low | 27.2 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | 167.2 | 104.6 | 140.4 | 35.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1254 | S | 23.8 | Very low | 27.2 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -57.9 | 131 | 144.8 | 46.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1255 | S | 31 | Very low | 27.3 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -148.8 | 107.2 | 156.1 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1256 | S | 24.9 | Very low | 27.5 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -69.1 | 137.8 | 153.5 | 45.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1257 | Q | 29.6 | Very low | 27.3 | Very low | 181 Ų | 181 | 127 Ų | 127 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | 164.4 | 102.3 | 148.3 | -93.2 | 166.4 | 24.6 | 0 | 0 | 106.7 | ||||
| 1258 | S | 23.9 | Very low | 27.5 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | 68.6 | 143.9 | 82.4 | 72.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1259 | S | 29.4 | Very low | 27.7 | Very low | 103 Ų | 103 | 128.6 Ų | 128.6 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | 82.7 | 133.8 | 176.5 | -4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1260 | D | 27.3 | Very low | 27.7 | Very low | 155 Ų | 155 | 126.7 Ų | 126.7 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | cis | -173.1 | 160 | -1.6 | -105.7 | -25.8 | 0 | 0 | 0 | 108.4 | ||||
| 1261 | A | 28.4 | Very low | 27.8 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 68.1 | 102.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1262 | V | 27.4 | Very low | 28.6 | Very low | 123 Ų | 123 | 120 Ų | 120 | 75% | 0.745 | 76% | 0.762 | S | S | * | * | 90.7 | 107.4 | 76.5 | 168.3 | 0 | 0 | 0 | 0 | 113.8 | I1264 | V1262-I1264 HydrophobicContact CG1-CD1 4.43Š| |||
| 1263 | C | 30.5 | Very low | 28.7 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 170.1 | 80.2 | 142.3 | -88.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1264 | I | 28.3 | Very low | 28.8 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | 53.8 | 88.4 | 88.1 | -51.6 | -179.3 | 0 | 0 | 0 | 112.9 | V1262 T1266 | V1262-I1264 HydrophobicContact CG1-CD1 4.43Å; I1264-T1266 HydrophobicContact CG2-CG2 4.2Å | |||
| 1265 | A | 31.1 | Very low | 29 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | trans | -127.9 | 83.7 | 144.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1266 | T | 27.8 | Very low | 28.9 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 61% | 0.613 | 76% | 0.764 | S | S | * | * | trans | -54.5 | 149 | 155 | 35.5 | 0 | 0 | 0 | 0 | 109.8 | I1264 | I1264-T1266 HydrophobicContact CG2-CG2 4.2Š| ||
| 1267 | E | 25.7 | Very low | 28.8 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | cis | -173.5 | 125.5 | 12.3 | -110.3 | -179.7 | -162.2 | 0 | 0 | 106 | ||||
| 1268 | L | 28.6 | Very low | 28.7 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | 98.2 | 151.9 | 100.5 | -84 | 173.2 | 0 | 0 | 0 | 113.5 | |||||
| 1269 | P | 32.3 | Very low | 28.9 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -121.5 | 160 | -133.8 | 26.6 | -4.3 | 0 | 0 | 0 | 112.4 | P1271 | P1269-P1271 WeakPolarHBondContact O-CD 3.27Š| ||
| 1270 | G | 23.7 | Very low | 28.8 | Very low | 82 Ų | 82 | 125.7 Ų | 125.7 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | -86.9 | 122.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1271 | P | 31.3 | Very low | 28.9 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -119 | -177 | 151.5 | 43.4 | -32.6 | 0 | 0 | 0 | 109.2 | P1269 | P1269-P1271 WeakPolarHBondContact O-CD 3.27Š| ||
| 1272 | P | 39.8 | Very low | 29 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | -116.1 | 176.9 | -83.4 | 30.4 | -12.1 | 0 | 0 | 0 | 112.4 | D1274 | P1272-D1274 PolarHBondContact O-N 3.46Š| |||
| 1273 | R | 27.2 | Very low | 29.2 | Very low | 237 Ų | 237 | 134 Ų | 134 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | trans | -47.3 | 118.5 | 175 | -61.4 | 173.5 | 175 | -159.8 | -3.2 | 112.7 | ||||
| 1274 | D | 32.1 | Very low | 29.2 | Very low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -125.9 | 109 | 154.2 | -86.7 | -32.2 | 0 | 0 | 0 | 109.2 | P1272 V1276 | P1272-D1274 PolarHBondContact O-N 3.46Å; D1274-V1276 PolarHBondContact O-N 2.92Å | ||
| 1275 | V | 27.9 | Very low | 29.5 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -81.7 | 93.1 | 172.3 | 178.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1276 | V | 28.9 | Very low | 29.4 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | trans | -119.2 | 101.3 | 168.3 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | D1274 L1278 | D1274-V1276 PolarHBondContact O-N 2.92Å; V1276-L1278 PolarHBondContact O-N 2.9Å | ||
| 1277 | S | 24.8 | Very low | 29.7 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -47.7 | 125.2 | 160.5 | -48.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1278 | L | 26.5 | Very low | 30 | Very low | 164 Ų | 164 | 136.5 Ų | 136.5 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | 173.8 | 106.7 | 152.3 | -94.8 | 156.5 | 0 | 0 | 0 | 110.2 | V1276 | V1276-L1278 PolarHBondContact O-N 2.9Š| ||
| 1279 | S | 28.8 | Very low | 30 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | 160.9 | 121.7 | 142.7 | 47.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1280 | G | 27 | Very low | 29.8 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | cis | 97.6 | 85.5 | 30.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1281 | S | 29.8 | Very low | 30.4 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 53.3 | 95.7 | 147.7 | 62.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1282 | E | 30.6 | Very low | 30.6 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | -129.8 | 98.8 | 144.2 | -94.8 | -170.4 | 153.1 | 0 | 0 | 111 | ||||
| 1283 | R | 30.2 | Very low | 30.2 | Very low | 233 Ų | 233 | 140.5 Ų | 140.5 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | 35.2 | 98.4 | 141 | -73.7 | 176.9 | 173.1 | 174.2 | -2.2 | 117.1 | I1285 | R1283-I1285 PolarHBondContact O-N 2.94Š| ||
| 1284 | A | 30.8 | Very low | 30.5 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -52.2 | 123.3 | 151.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1285 | I | 34.4 | Very low | 30.3 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -95.6 | 111.2 | 162.8 | -66.4 | 176 | 0 | 0 | 0 | 106.2 | R1283 | R1283-I1285 PolarHBondContact O-N 2.94Š| ||
| 1286 | D | 30.2 | Very low | 30.7 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -62.6 | 120.2 | 170.6 | -85.3 | -45 | 0 | 0 | 0 | 111.4 | ||||
| 1287 | V | 33.2 | Very low | 30.9 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -141.3 | 133.5 | 146.2 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1288 | P | 31.6 | Very low | 31.4 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -98.1 | 142.7 | -151.9 | 36.3 | -31.7 | 0 | 0 | 0 | 114.9 | ||||
| 1289 | G | 29.3 | Very low | 31.7 | Very low | 77 Ų | 77 | 138.5 Ų | 138.5 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | 69.7 | 88.7 | 129.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1290 | E | 28.2 | Very low | 31.9 | Very low | 193 Ų | 193 | 141 Ų | 141 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -123 | 131.9 | 140.2 | -98.1 | -171.1 | 163.9 | 0 | 0 | 109.9 | ||||
| 1291 | P | 34.9 | Very low | 32.1 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -82.8 | 160 | -168.5 | 33.8 | -32.6 | 0 | 0 | 0 | 112.6 | ||||
| 1292 | P | 35.8 | Very low | 32.2 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -75.1 | 132 | -164.4 | 29.8 | -34.4 | 0 | 0 | 0 | 112.4 | K1294 | P1292-K1294 PolarHBondContact O-N 2.8Š| ||
| 1293 | V | 32.6 | Very low | 32.2 | Very low | 144 Ų | 144 | 141 Ų | 141 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | trans | -57.7 | 97.2 | 169.5 | 178.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 1294 | K | 33.6 | Very low | 32.3 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 118.5 | 160.2 | -78.5 | -178.2 | 176.3 | 178.8 | 0 | 107.4 | P1292 | P1292-K1294 PolarHBondContact O-N 2.8Š|
| 1295 | S | 28.2 | Very low | 32.2 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 122.1 | 170.2 | 37.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1296 | P | 34.6 | Very low | 32.2 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 141.1 | 179.2 | 29.7 | -30 | 0 | 0 | 0 | 111.1 | ||
| 1297 | P | 33.8 | Very low | 32.2 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 166.1 | 166 | 3.2 | 14.4 | 0 | 0 | 0 | 111.3 | ||
| 1298 | P | 34.5 | Very low | 31.9 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76 | 135 | -163.5 | 31.4 | -33.6 | 0 | 0 | 0 | 112.6 | ||
| 1299 | Y | 32.9 | Very low | 32.1 | Very low | 216 Ų | 216 | 139.7 Ų | 139.7 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 119.3 | 174.9 | -106.5 | -96.8 | 0 | 0 | 0 | 110.6 | ||
| 1300 | E | 32.8 | Very low | 32.1 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 143.2 | 164.7 | -73.9 | -178.9 | 155.5 | 0 | 0 | 111 | L1302 | E1300-L1302 PolarHBondContact O-N 3.34Š|
| 1301 | S | 32.5 | Very low | 32.2 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -47.3 | 107.7 | 176.9 | 41.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 1302 | L | 30.8 | Very low | 32 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -85.5 | 110.9 | 163 | -86.1 | 159.1 | 0 | 0 | 0 | 109.5 | E1300 M1304 | E1300-L1302 PolarHBondContact O-N 3.34Å; L1302-M1304 PolarHBondContact O-N 3.42Å | ||
| 1303 | S | 31.8 | Very low | 31.7 | Very low | 102 Ų | 102 | 144 Ų | 144 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -66.9 | 115.7 | 168.1 | 54.8 | 0 | 0 | 0 | 0 | 109.8 | Q1305 | S1303-Q1305 PolarHBondContact O-N 2.76Š| ||
| 1304 | M | 31.6 | Very low | 31.9 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | -78.9 | 102.4 | 166.9 | -85.6 | -130.6 | 73.1 | 0 | 0 | 109.3 | L1302 Y1306 | L1302-M1304 PolarHBondContact O-N 3.42Å; M1304-Y1306 HydrophobicContact CE-CD2 3.89Å; M1304-Y1306 HydrophobicContact CE-CE2 3.24Å; M1304-Y1306 HydrophobicContact SD-CE2 4.02Å | ||
| 1305 | Q | 29.1 | Very low | 31.7 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -87.5 | 107.4 | 175.4 | -162.4 | 170.4 | 12.8 | 0 | 0 | 108.2 | S1303 | S1303-Q1305 PolarHBondContact O-N 2.76Š| ||
| 1306 | Y | 33.5 | Very low | 31.7 | Very low | 202 Ų | 202 | 140.7 Ų | 140.7 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -113 | 120.7 | 168 | -90.8 | -77 | 0 | 0 | 0 | 110.5 | M1304 | M1304-Y1306 HydrophobicContact CE-CD2 3.89Å; M1304-Y1306 HydrophobicContact CE-CE2 3.24Å; M1304-Y1306 HydrophobicContact SD-CE2 4.02Å | ||
| 1307 | G | 30.5 | Very low | 31.3 | Very low | 76 Ų | 76 | 143 Ų | 143 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | 90.7 | 74.3 | 137.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1308 | A | 27.5 | Very low | 31.2 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -83.7 | 122.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1309 | I | 34.7 | Very low | 30.9 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -127.1 | 104.6 | 159.3 | -61.5 | -178.5 | 0 | 0 | 0 | 108.8 | ||||
| 1310 | S | 30.4 | Very low | 30.8 | Very low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | 2.1 | 128.3 | 160.6 | -55.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1311 | P | 30.6 | Very low | 30.5 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -96.2 | 128.2 | 158.4 | 33.2 | -24.1 | 0 | 0 | 0 | 111.8 | ||||
| 1312 | L | 30.4 | Very low | 30.3 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -129.1 | 113.3 | 168.2 | -79.2 | 169.6 | 0 | 0 | 0 | 109.8 | ||||
| 1313 | K | 28.7 | Very low | 30.3 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | trans | -2.5 | 165.6 | 149.4 | -77 | 178.7 | -178.7 | 178.8 | 0 | 119.1 | ||||
| 1314 | P | 37.5 | Very low | 30.2 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | cis | -146.2 | -176.5 | -3.6 | 30.3 | -4.9 | 0 | 0 | 0 | 116.9 | ||||
| 1315 | L | 28.4 | Very low | 30.1 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | trans | 102.3 | 100.8 | 131.6 | -124.8 | 68 | 0 | 0 | 0 | 121.6 | ||||
| 1316 | V | 29.6 | Very low | 30 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 68% | 0.679 | 81% | 0.809 | S | S | * | * | 69.1 | 113.1 | 123 | -179.4 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1317 | N | 26.8 | Very low | 29.9 | Very low | 163 Ų | 163 | 125.8 Ų | 125.8 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | 36 | 126.7 | 133.7 | -58.7 | -13.9 | 0 | 0 | 0 | 122.4 | ||||
| 1318 | G | 30.6 | Very low | 29.8 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 170.4 | 89 | 153.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1319 | A | 28.5 | Very low | 29.8 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 93% | 0.934 | 81% | 0.805 | S | S | * | * | 70 | 118.9 | 102.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1320 | G | 31.2 | Very low | 30.1 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 148.6 | 81.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1321 | S | 26.7 | Very low | 30.1 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | -62.5 | 141.3 | 158.6 | 52 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1322 | F | 26.6 | Very low | 30.3 | Very low | 199 Ų | 199 | 134.2 Ų | 134.2 | 87% | 0.873 | 81% | 0.811 | S | S | * | * | -179.5 | 134.2 | 129.9 | -100 | -72 | 0 | 0 | 0 | 111.1 | |||||
| 1323 | P | 31.4 | Very low | 30.4 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -100.3 | 137.7 | 178.7 | 35.9 | -28.1 | 0 | 0 | 0 | 112.4 | ||||
| 1324 | L | 31 | Very low | 30.7 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 97% | 0.974 | 81% | 0.813 | S | S | * | * | trans | -149.6 | 136.8 | 169 | -83.1 | 169.5 | 0 | 0 | 0 | 109.7 | ||||
| 1325 | G | 29.2 | Very low | 30.5 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | 124.8 | 71.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1326 | S | 26.4 | Very low | 30.8 | Very low | 121 Ų | 121 | 137 Ų | 137 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -61.8 | 127.6 | 151 | 53.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1327 | S | 31.3 | Very low | 31.2 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -145 | 95.1 | 165.2 | 178.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1328 | V | 28.6 | Very low | 31.5 | Very low | 112 Ų | 112 | 135 Ų | 135 | 68% | 0.679 | 82% | 0.815 | S | S | * | * | 81.1 | 122 | 84.3 | 168.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1329 | R | 27.2 | Very low | 31.4 | Very low | 230 Ų | 230 | 142 Ų | 142 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | trans | 109.9 | 147.9 | 154.1 | -78.5 | 152.6 | -173 | -111 | 2.9 | 118 | ||||
| 1330 | P | 42 | Very low | 31.7 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | -138.1 | 156.5 | -32.3 | 33.8 | -15.8 | 0 | 0 | 0 | 115.2 | ||||
| 1331 | A | 29.4 | Very low | 31.7 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -69.4 | 135.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1332 | M | 34.4 | Very low | 32 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 96% | 0.961 | 82% | 0.818 | S | S | * | * | trans | -117 | 130 | 156.3 | -84.9 | -156.2 | 150.1 | 0 | 0 | 110.6 | ||||
| 1333 | K | 32.3 | Very low | 32.2 | Very low | 196 Ų | 196 | 143.4 Ų | 143.4 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -71.3 | 130.7 | -170.9 | -61 | 165.2 | 174.5 | 177.2 | 0 | 111.5 | ||||
| 1334 | K | 36.2 | Very low | 32.3 | Very low | 211 Ų | 211 | 146.5 Ų | 146.5 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | -139 | 118.2 | 145.3 | -82.9 | -170.2 | 176.9 | 176.5 | 0 | 109.2 | ||||
| 1335 | L | 31.7 | Very low | 32.1 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 147 | -179.5 | -88.3 | 128.6 | 0 | 0 | 0 | 111.7 | ||
| 1336 | P | 34.9 | Very low | 32.4 | Very low | 109 Ų | 109 | 150.9 Ų | 150.9 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 149.2 | 170.2 | 34.1 | -32.1 | 0 | 0 | 0 | 112.7 | ||
| 1337 | P | 38.1 | Very low | 32.5 | Very low | 126 Ų | 126 | 151.4 Ų | 151.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 146.6 | 169.7 | 33.2 | -29.6 | 0 | 0 | 0 | 112.3 | ||
| 1338 | P | 33.1 | Very low | 32.7 | Very low | 106 Ų | 106 | 153 Ų | 153 | 69% | 0.688 | 81% | 0.813 | S | S | * | * | trans | -107.1 | 144.7 | 179 | 36.1 | -26.1 | 0 | 0 | 0 | 113.6 | ||||
| 1339 | Y | 29.7 | Very low | 32.7 | Very low | 219 Ų | 219 | 150.7 Ų | 150.7 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | 157.8 | 142 | 121.4 | -103 | -92.8 | 0 | 0 | 0 | 113.1 | |||||
| 1340 | P | 34.3 | Very low | 33.1 | Very low | 122 Ų | 122 | 148 Ų | 148 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -102.8 | 163.3 | -180 | 39.2 | -31.8 | 0 | 0 | 0 | 113.4 | ||||
| 1341 | G | 32.1 | Very low | 32.6 | Very low | 68 Ų | 68 | 147.9 Ų | 147.9 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | 146.1 | 110.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1342 | K | 31.7 | Very low | 32.7 | Very low | 214 Ų | 214 | 153 Ų | 153 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | -175.3 | 111.6 | 136.1 | -100.9 | 169.3 | -171.9 | -173 | 0 | 110.9 | ||||
| 1343 | P | 31.4 | Very low | 32.6 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -102.8 | 177.1 | 168.8 | 37.7 | -28.3 | 0 | 0 | 0 | 112.2 | ||||
| 1344 | M | 32.9 | Very low | 32.7 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | 99.6 | 98.9 | 176 | -62.3 | -176.1 | 86.5 | 0 | 0 | 114.3 | ||||
| 1345 | M | 28 | Very low | 32.3 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 80% | 0.803 | 80% | 0.801 | S | S | * | * | 60.1 | 95.9 | 83.8 | -76.2 | -73.2 | -169.1 | 0 | 0 | 112.5 | |||||
| 1346 | H | 34.3 | Very low | 32.3 | Very low | 192 Ų | 192 | 151.8 Ų | 151.8 | 89% | 0.889 | 80% | 0.803 | S | S | * | * | trans | -148.7 | 118.9 | 144.3 | -100.8 | 18 | 0 | 0 | 0 | 111 | ||||
| 1347 | T | 28.3 | Very low | 32.3 | Very low | 131 Ų | 131 | 151.8 Ų | 151.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -77.3 | 117.6 | 172.4 | -48.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1348 | I | 35.2 | Very low | 32.1 | Very low | 144 Ų | 144 | 151.4 Ų | 151.4 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | -139.7 | 109.9 | 156.1 | -61.2 | -176.9 | 0 | 0 | 0 | 107.5 | ||||
| 1349 | G | 28.9 | Very low | 32 | Very low | 65 Ų | 65 | 151.3 Ų | 151.3 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | -75.5 | 127.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1350 | H | 36.1 | Very low | 32.3 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | -126.1 | 114.9 | 152.8 | -85.8 | -11.8 | 0 | 0 | 0 | 109 | F1352 | H1350-F1352 PolarHBondContact O-N 3.48Š| ||
| 1351 | S | 30.6 | Very low | 32.3 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -52.4 | 120.2 | 173 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1352 | F | 31.8 | Very low | 32.2 | Very low | 205 Ų | 205 | 150.3 Ų | 150.3 | 90% | 0.899 | 80% | 0.8 | S | S | * | * | trans | -110.3 | 112.5 | 154.6 | -114.6 | -93.1 | 0 | 0 | 0 | 108.5 | H1350 H1354 | H1350-F1352 PolarHBondContact O-N 3.48Å; F1352-H1354 PolarHBondContact O-N 2.79Å | ||
| 1353 | A | 32.3 | Very low | 32.1 | Very low | 80 Ų | 80 | 145.9 Ų | 145.9 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | trans | -68.6 | 102.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | W1355 | A1353-W1355 PolarHBondContact O-N 3.42Š| ||
| 1354 | H | 35 | Very low | 32.2 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -86 | 98 | 157.7 | -91.9 | -62.6 | 0 | 0 | 0 | 108.8 | F1352 R1356 | F1352-H1354 PolarHBondContact O-N 2.79Å; H1354-R1356 PolarHBondContact O-N 3.4Å | ||
| 1355 | W | 27.8 | Very low | 32.1 | Very low | 235 Ų | 235 | 147 Ų | 147 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | trans | -54.9 | 114.4 | 160.9 | -87.8 | 78.7 | 0 | 0 | 0 | 109.7 | A1353 | A1353-W1355 PolarHBondContact O-N 3.42Š| ||
| 1356 | R | 31.8 | Very low | 32.3 | Very low | 238 Ų | 238 | 144 Ų | 144 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -124.6 | 111.4 | 163.9 | -146.3 | -178.3 | -162.6 | -142 | 4.2 | 106.8 | H1354 | H1354-R1356 PolarHBondContact O-N 3.4Š| ||
| 1357 | P | 35 | Very low | 32.2 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 164.3 | 177 | 31.5 | -32 | 0 | 0 | 0 | 111.1 | ||
| 1358 | P | 32.8 | Very low | 32.4 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 158.9 | -139.5 | 35.2 | -34.8 | 0 | 0 | 0 | 115.3 | ||
| 1359 | S | 31.8 | Very low | 32 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 142.1 | 171 | 43.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1360 | P | 37.1 | Very low | 32.3 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 142 | 165.6 | 31.8 | -30.7 | 0 | 0 | 0 | 111 | P1362 | P1360-P1362 VanDerWaalsContact O-CD 3.26Å; P1360-P1362 WeakPolarHBondContact O-CD 3.45Å |
| 1361 | I | 32.5 | Very low | 32 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67 | 124.8 | 176.8 | -65.2 | 163.1 | 0 | 0 | 0 | 109.8 | ||
| 1362 | P | 30.1 | Very low | 31.9 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | trans | -128.3 | 102.8 | 170.2 | 33.3 | -13.1 | 0 | 0 | 0 | 110.3 | P1360 | P1360-P1362 VanDerWaalsContact O-CD 3.26Å; P1360-P1362 WeakPolarHBondContact O-CD 3.45Å | ||
| 1363 | T | 30.8 | Very low | 31.8 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -178.7 | 108.1 | 159.8 | 10.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1364 | V | 33.6 | Very low | 31.7 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | -158.3 | 139.4 | 127.6 | 175.5 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 1365 | H | 30.3 | Very low | 31.4 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -70.6 | 169.1 | -166.3 | -92.1 | -91.7 | 0 | 0 | 0 | 117.2 | ||||
| 1366 | P | 32.7 | Very low | 31.6 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | trans | -97.6 | -176 | -174.5 | 39.1 | -30.9 | 0 | 0 | 0 | 113.3 | ||||
| 1367 | T | 31.8 | Very low | 31.4 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | 111.1 | 112.2 | 162.3 | 69.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1368 | G | 32.3 | Very low | 31.2 | Very low | 82 Ų | 82 | 130 Ų | 130 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | 178 | 63.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1369 | S | 27.5 | Very low | 31.2 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -85.1 | 107 | 170.1 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1370 | L | 34.1 | Very low | 31 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -145.8 | 100.4 | 161.9 | -76.8 | 173 | 0 | 0 | 0 | 105.1 | ||||
| 1371 | A | 29.5 | Very low | 30.7 | Very low | 78 Ų | 78 | 133.9 Ų | 133.9 | 65% | 0.645 | 80% | 0.8 | S | S | * | * | 77.5 | 109.8 | 89.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1372 | S | 28.7 | Very low | 30.4 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 63.6 | 116.5 | 151.5 | 48.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1373 | P | 30.4 | Very low | 30.4 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -85.8 | 130.2 | 163.9 | 33.9 | -26.5 | 0 | 0 | 0 | 110.2 | ||||
| 1374 | S | 29.8 | Very low | 30.7 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -119.9 | 112.9 | 165.9 | 66.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1375 | S | 28.7 | Very low | 30.6 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | trans | 26 | 106.8 | 137.3 | 60.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1376 | Y | 32.1 | Very low | 30.7 | Very low | 235 Ų | 235 | 131.3 Ų | 131.3 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | trans | -136.3 | 117.6 | 134.5 | -105.1 | -82.8 | 0 | 0 | 0 | 109 | ||||
| 1377 | D | 28.6 | Very low | 30.7 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -59.8 | 129.8 | -179.9 | -63.9 | -63.1 | 0 | 0 | 0 | 112.4 | ||||
| 1378 | L | 29.9 | Very low | 30.5 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | trans | -133.3 | 100.3 | 152.5 | -87.3 | 169.5 | 0 | 0 | 0 | 107.2 | K1380 | L1378-K1380 PolarHBondContact O-N 3.39Š| ||
| 1379 | P | 32.9 | Very low | 30.5 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -76.8 | 119.7 | 175.6 | 0.2 | 16.4 | 0 | 0 | 0 | 109.3 | A1381 | P1379-A1381 PolarHBondContact O-N 3.37Š| ||
| 1380 | K | 27.5 | Very low | 30.5 | Very low | 200 Ų | 200 | 133.9 Ų | 133.9 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -67.2 | 119.2 | 156.6 | -70.1 | 173.5 | 176.3 | 176.6 | 0 | 107.9 | L1378 | L1378-K1380 PolarHBondContact O-N 3.39Š| ||
| 1381 | A | 31.8 | Very low | 30.2 | Very low | 104 Ų | 104 | 131 Ų | 131 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -118.1 | 95.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | P1379 | P1379-A1381 PolarHBondContact O-N 3.37Š| ||
| 1382 | S | 25.4 | Very low | 30.2 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -130.2 | 110.4 | 169 | 54.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1383 | T | 30.7 | Very low | 30.1 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -154.2 | 152.9 | 155.9 | 35.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1384 | P | 36.8 | Very low | 30.1 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -107.5 | 174.7 | -156.1 | 37.5 | -24.1 | 0 | 0 | 0 | 113.9 | ||||
| 1385 | K | 30.4 | Very low | 30.1 | Very low | 194 Ų | 194 | 132.1 Ų | 132.1 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -50.8 | 163.8 | 154 | -69.6 | -178.5 | 175.4 | -179.1 | 0 | 110.7 | ||||
| 1386 | P | 33.9 | Very low | 29.9 | Very low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | cis | -148.2 | -170 | 27.4 | 33.1 | -6.6 | 0 | 0 | 0 | 115.4 | ||||
| 1387 | D | 32.2 | Very low | 29.8 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | 124.2 | 125.9 | 139.5 | -65.6 | -24.2 | 0 | 0 | 0 | 118.9 | ||||
| 1388 | D | 27.5 | Very low | 29.8 | Very low | 151 Ų | 151 | 125 Ų | 125 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -64.8 | 151.7 | 178.2 | -62 | -61.1 | 0 | 0 | 0 | 113.6 | ||||
| 1389 | S | 31.4 | Very low | 29.6 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -178.5 | 109.7 | 143 | 27.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1390 | S | 28.5 | Very low | 29.3 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | 81.4 | 106.2 | 99.8 | 79.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1391 | S | 27.7 | Very low | 29.5 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | 96.8 | 127.6 | 85.2 | 68.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1392 | S | 29.9 | Very low | 29.4 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 156.1 | 107.4 | 148.9 | 45.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1393 | A | 26.9 | Very low | 29.5 | Very low | 95 Ų | 95 | 122.3 Ų | 122.3 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | 71.7 | 109.5 | 66.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1394 | T | 30.4 | Very low | 29.6 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -164.3 | 113.9 | 149.1 | 40.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1395 | T | 28.5 | Very low | 29.3 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | 80.6 | 111.1 | 112.5 | 64 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1396 | S | 25.3 | Very low | 29.3 | Very low | 110 Ų | 110 | 118.5 Ų | 118.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | 117.9 | 128 | 65.6 | 57 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1397 | S | 29.5 | Very low | 29.1 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 159.7 | 121.8 | 131.7 | -165.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1398 | S | 28.2 | Very low | 29.2 | Very low | 99 Ų | 99 | 121.1 Ų | 121.1 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | 45.4 | 113.8 | 141.2 | 64.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1399 | A | 26.1 | Very low | 29.2 | Very low | 89 Ų | 89 | 118.3 Ų | 118.3 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | 67.9 | 127.6 | 64.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1400 | L | 26.9 | Very low | 29.1 | Very low | 171 Ų | 171 | 120.6 Ų | 120.6 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | 109.8 | 139.7 | 150.6 | -74.7 | 155.3 | 0 | 0 | 0 | 120.2 | ||||
| 1401 | A | 31 | Very low | 29.3 | Very low | 89 Ų | 89 | 121.8 Ų | 121.8 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | 82.3 | 140.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1402 | N | 29.2 | Very low | 29.3 | Very low | 137 Ų | 137 | 121.6 Ų | 121.6 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | cis | 170.6 | 123.8 | -25.4 | -111.1 | -21.2 | 0 | 0 | 0 | 104.1 | ||||
| 1403 | L | 27.7 | Very low | 29.5 | Very low | 144 Ų | 144 | 122.2 Ų | 122.2 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | 43 | 111.4 | 136.3 | -63.6 | 162.9 | 0 | 0 | 0 | 119.8 | ||||
| 1404 | H | 33.6 | Very low | 29.6 | Very low | 196 Ų | 196 | 126.7 Ų | 126.7 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | trans | -143.4 | 122.5 | 130.6 | -115.2 | -43.6 | 0 | 0 | 0 | 111.2 | ||||
| 1405 | P | 31 | Very low | 29.7 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -105.6 | 154.7 | 169.2 | 36.8 | -27.8 | 0 | 0 | 0 | 111.8 | ||||
| 1406 | G | 30.7 | Very low | 29.9 | Very low | 69 Ų | 69 | 126.7 Ų | 126.7 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 168.7 | 100.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1407 | N | 29.3 | Very low | 30.1 | Very low | 158 Ų | 158 | 126.4 Ų | 126.4 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | 88.6 | 137 | 82 | -103.1 | 3.7 | 0 | 0 | 0 | 114 | |||||
| 1408 | N | 33.2 | Very low | 30.2 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | 102.7 | 94.2 | 164.7 | -61.6 | -7 | 0 | 0 | 0 | 114.8 | ||||
| 1409 | S | 27.8 | Very low | 30.2 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | 82.4 | 125.5 | 65.6 | 72.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1410 | L | 30.3 | Very low | 30.3 | Very low | 156 Ų | 156 | 131.5 Ų | 131.5 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | 125 | 132.2 | 142.4 | -78.3 | 143.9 | 0 | 0 | 0 | 116.4 | ||||
| 1411 | V | 33 | Very low | 30.4 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 84.1 | 87.2 | 174.7 | -162.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 1412 | S | 27.7 | Very low | 30.4 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | 63.5 | 100 | 52.9 | -45.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1413 | S | 33.6 | Very low | 30.2 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | -173.7 | 126.1 | 144.7 | -76.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1414 | E | 28.9 | Very low | 30.7 | Very low | 190 Ų | 190 | 124.4 Ų | 124.4 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -73.1 | 165.2 | -169.8 | -69.8 | 171.5 | 141.5 | 0 | 0 | 115.2 | ||||
| 1415 | P | 32.5 | Very low | 30.3 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | trans | -91.1 | 132.1 | 168.6 | 35.3 | -27.7 | 0 | 0 | 0 | 110.8 | ||||
| 1416 | S | 32.4 | Very low | 30.3 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -120.8 | 112.2 | 170.6 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1417 | S | 28.8 | Very low | 30.1 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -43.9 | 129.5 | 160.2 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1418 | H | 32.7 | Very low | 30.1 | Very low | 195 Ų | 195 | 126.3 Ų | 126.3 | 90% | 0.903 | 79% | 0.789 | S | S | * | * | trans | -135.3 | 112.3 | 138.5 | -93.6 | -59.9 | 0 | 0 | 0 | 109.5 | ||||
| 1419 | S | 28 | Very low | 30.1 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -76.6 | 157.4 | 170.8 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1420 | S | 28.1 | Very low | 30 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | 60.3 | 100.2 | 143.2 | 62.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1421 | G | 30 | Very low | 30.1 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | -141.2 | 91.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1422 | S | 29.2 | Very low | 30.1 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -63.2 | 153.5 | -179.6 | -44.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 1423 | A | 26.8 | Very low | 30.1 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | -55.2 | 177.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1424 | P | 37.7 | Very low | 30 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 68% | 0.675 | 82% | 0.818 | S | S | * | * | cis | -146.7 | -168.3 | 5.8 | 42.8 | -22 | 0 | 0 | 0 | 115.5 | ||||
| 1425 | L | 25.8 | Very low | 30 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | 68.4 | 124.7 | 154.7 | -92.2 | 108.8 | 0 | 0 | 0 | 119.3 | ||||
| 1426 | V | 30 | Very low | 29.9 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | -169.8 | 121.7 | 110.9 | 164.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1427 | K | 27.1 | Very low | 29.7 | Very low | 212 Ų | 212 | 134.8 Ų | 134.8 | 92% | 0.922 | 80% | 0.801 | S | S | * | * | trans | -77.6 | 132.4 | 156.4 | -79.5 | 175.7 | 172.5 | 175.3 | 0 | 108.5 | ||||
| 1428 | G | 28.8 | Very low | 29.9 | Very low | 71 Ų | 71 | 135.3 Ų | 135.3 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | -175 | 118.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1429 | S | 32.7 | Very low | 29.8 | Very low | 125 Ų | 125 | 133 Ų | 133 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | -157.5 | 134.7 | 59.5 | 33.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1430 | R | 26.6 | Very low | 29.7 | Very low | 249 Ų | 249 | 134.2 Ų | 134.2 | 94% | 0.94 | 80% | 0.801 | S | S | * | * | trans | -127.1 | 92.8 | 171.6 | -160.9 | -173.2 | -164.3 | -173.6 | 4.1 | 105.1 | ||||
| 1431 | E | 32.2 | Very low | 30.2 | Very low | 179 Ų | 179 | 133.9 Ų | 133.9 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -154.9 | 97 | 176 | -103.3 | 172.5 | -153.8 | 0 | 0 | 108.1 | ||||
| 1432 | N | 33 | Very low | 30 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | -177.2 | 126 | 126.3 | -92.7 | -23.8 | 0 | 0 | 0 | 110.9 | |||||
| 1433 | I | 26.5 | Very low | 30 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -102 | 128.7 | 178.1 | -69.5 | 164.9 | 0 | 0 | 0 | 106.7 | ||||
| 1434 | V | 32.8 | Very low | 29.9 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -153.5 | 101 | 149.5 | -176.2 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 1435 | A | 28.4 | Very low | 29.3 | Very low | 85 Ų | 85 | 147.2 Ų | 147.2 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | 55.7 | 137.9 | 77.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1436 | A | 29.7 | Very low | 29.5 | Very low | 79 Ų | 79 | 145.9 Ų | 145.9 | 65% | 0.653 | 79% | 0.794 | S | S | * | * | cis | -163.7 | 139.1 | 11.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1437 | E | 28.3 | Very low | 29.3 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | 75.3 | 112.1 | 104.3 | -67.3 | -177.6 | 157.7 | 0 | 0 | 118.1 | |||||
| 1438 | S | 32.7 | Very low | 29.4 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -177.4 | 97.4 | 133.4 | 39.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1439 | I | 31.2 | Very low | 29.3 | Very low | 147 Ų | 147 | 143 Ų | 143 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | 63.3 | 93.4 | 87.9 | -57.7 | 173.3 | 0 | 0 | 0 | 112.9 | |||||
| 1440 | T | 26.7 | Very low | 29.2 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | 17.1 | 171.8 | 125.3 | 54.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1441 | P | 38.2 | Very low | 29.2 | Very low | 102 Ų | 102 | 147.1 Ų | 147.1 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | cis | -145.8 | 173.3 | -39.2 | 40.7 | -22.4 | 0 | 0 | 0 | 114.9 | ||||
| 1442 | V | 25.4 | Very low | 28.8 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 66.6 | 134.5 | 132.9 | 170.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1443 | K | 28.6 | Very low | 29 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 99.1 | 106.3 | 146.9 | -91.7 | 163.3 | -166.1 | -177.1 | 0 | 121.4 | ||||
| 1444 | Q | 25.2 | Very low | 29 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | 74.2 | 145.6 | 115.3 | -78.3 | -177.9 | -21.2 | 0 | 0 | 122.2 | |||||
| 1445 | R | 25.1 | Very low | 28.9 | Very low | 226 Ų | 226 | 145.6 Ų | 145.6 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | 81.1 | 129.2 | 164.9 | -72.5 | 169.4 | 171.3 | 167.9 | -3.5 | 113.6 | ||||
| 1446 | T | 30.8 | Very low | 28.8 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | cis | -165.2 | 136.6 | 36.8 | -9.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1447 | V | 24.7 | Very low | 28.9 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | trans | -79.6 | 125.4 | 159.8 | 171.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1448 | S | 28.8 | Very low | 28.8 | Very low | 95 Ų | 95 | 152.6 Ų | 152.6 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | -165.7 | 110.1 | 150.1 | -151.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1449 | T | 28.1 | Very low | 28.9 | Very low | 119 Ų | 119 | 153.7 Ų | 153.7 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | 57.8 | 111.3 | 129.9 | 62.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1450 | R | 30.8 | Very low | 29 | Very low | 233 Ų | 233 | 154.5 Ų | 154.5 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | -178.9 | 110.7 | 119.9 | -104.4 | 178.1 | 170.8 | -151.7 | -2 | 109.1 | |||||
| 1451 | R | 26.1 | Very low | 29.1 | Very low | 227 Ų | 227 | 154 Ų | 154 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | 56.4 | 98.9 | 99.6 | -75.3 | -172.7 | 174.9 | 176.2 | -1.1 | 112.1 | |||||
| 1452 | E | 24.8 | Very low | 29 | Very low | 180 Ų | 180 | 157.3 Ų | 157.3 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | 69.9 | 152.1 | 94.5 | -87.6 | -166.4 | -160.4 | 0 | 0 | 114 | |||||
| 1453 | P | 37 | Very low | 29 | Very low | 105 Ų | 105 | 156.5 Ų | 156.5 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | cis | -138.4 | 178 | -13.6 | 34.2 | -12.5 | 0 | 0 | 0 | 114.8 | ||||
| 1454 | V | 25.1 | Very low | 29.3 | Very low | 134 Ų | 134 | 154.4 Ų | 154.4 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -34.2 | 131.1 | 165.2 | 178.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1455 | F | 30.7 | Very low | 29.6 | Very low | 190 Ų | 190 | 155.7 Ų | 155.7 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | trans | -126.2 | 118 | 152.4 | -109.4 | -85 | 0 | 0 | 0 | 109.6 | ||||
| 1456 | S | 26.6 | Very low | 29.8 | Very low | 85 Ų | 85 | 152.8 Ų | 152.8 | 59% | 0.594 | 79% | 0.785 | S | S | * | * | trans | -62.8 | 138.1 | 164.4 | 54.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1457 | F | 32.2 | Very low | 29.9 | Very low | 199 Ų | 199 | 154.1 Ų | 154.1 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | trans | -130.8 | 111.6 | 152.2 | -109.4 | -89 | 0 | 0 | 0 | 108.9 | ||||
| 1458 | Y | 26.3 | Very low | 30.2 | Very low | 203 Ų | 203 | 150.5 Ų | 150.5 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -67.7 | 167.4 | 158.4 | -97 | -102.4 | 0 | 0 | 0 | 109.7 | ||||
| 1459 | D | 33.6 | Very low | 30.4 | Very low | 139 Ų | 139 | 153.6 Ų | 153.6 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | 99.1 | 95.5 | 166.9 | -53.6 | -25.1 | 0 | 0 | 0 | 116.3 | ||||
| 1460 | N | 34.7 | Very low | 30.5 | Very low | 164 Ų | 164 | 152.4 Ų | 152.4 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | -169.8 | 135 | 96.8 | -110.8 | -37.1 | 0 | 0 | 0 | 112.8 | |||||
| 1461 | V | 29 | Very low | 30.8 | Very low | 113 Ų | 113 | 153 Ų | 153 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -87.8 | 132.1 | 177.2 | 169.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1462 | D | 35 | Very low | 31.3 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | -136.2 | 109.8 | 151.8 | -107.8 | -27.8 | 0 | 0 | 0 | 110.2 | ||||
| 1463 | C | 25.9 | Very low | 32 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 69% | 0.689 | 78% | 0.784 | S | S | * | * | trans | -89.6 | 122.6 | 177.4 | -70.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1464 | T | 34.4 | Very low | 32.1 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -149.5 | 113.7 | 148.9 | 43.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1465 | K | 31.5 | Very low | 33 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | 69.8 | 104.4 | 133.3 | -64.7 | -177.6 | 178.4 | 179.2 | 0 | 121.3 | ||||
| 1466 | Q | 28.9 | Very low | 33.9 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | 58.6 | 104.1 | 114 | -72.7 | -174.6 | -11 | 0 | 0 | 119.4 | |||||
| 1467 | N | 33.9 | Very low | 35 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | 155.8 | 134 | 100 | -88.5 | -19.6 | 0 | 0 | 0 | 111.9 | |||||
| 1468 | G | 31 | Very low | 35.8 | Very low | 68 Ų | 68 | 139.3 Ų | 139.3 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 104.8 | 83.7 | 140.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1469 | D | 33.1 | Very low | 37.1 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | 59 | 94.8 | 132.1 | -60.1 | -23.8 | 0 | 0 | 0 | 121.9 | ||||
| 1470 | A | 31 | Very low | 38.3 | Very low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | trans | -3.1 | 124.6 | 133.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1471 | R | 35 | Very low | 39.4 | Very low | 244 Ų | 244 | 131.7 Ų | 131.7 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | -157 | 121.3 | 125.8 | -104.5 | 178.8 | -167.6 | -149.1 | 2.4 | 110 | |||||
| 1472 | P | 38 | Very low | 41.3 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | -92.2 | 136.8 | 174.2 | 34.7 | -27.9 | 0 | 0 | 0 | 110.2 | ||||
| 1473 | S | 38.8 | Very low | 43 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | trans | -129.6 | 86.8 | 163.9 | 53 | 0 | 0 | 0 | 0 | 107.8 | S1475 | S1473-S1475 PolarHBondContact O-N 2.94Š| ||
| 1474 | D | 40 | Very low | 45.1 | Very low | 151 Ų | 151 | 123.9 Ų | 123.9 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | trans | -68.6 | 104.4 | 170 | -69.7 | -40.9 | 0 | 0 | 0 | 109 | ||||
| 1475 | S | 43 | Very low | 47 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | trans | -138.6 | 2.2 | 166.3 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | S1473 N1477 | S1473-S1475 PolarHBondContact O-N 2.94Å; S1475-N1477 PolarHBondContact O-N 2.83Å | ||
| 1476 | S | 49.3 | Very low | 48.9 | Very low | 78 Ų | 78 | 121 Ų | 121 | 55% | 0.545 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -85.9 | -3.7 | -175.5 | 60 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1477 | N | 50.2 | Low | 51.2 | Low | 124 Ų | 124 | 119.8 Ų | 119.8 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -99.1 | -12.7 | -177.7 | -74.3 | -4.7 | 0 | 0 | 0 | 114.3 | S1475 T1480 | S1475-N1477 PolarHBondContact O-N 2.83Å; N1477-T1480 PolarHBondContact O-OG1 3.35Å |
| 1478 | E | 49.2 | Very low | 53.1 | Low | 164 Ų | 164 | 116.2 Ų | 116.2 | 77% | 0.766 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -84.9 | -29.3 | 172.4 | -75.8 | -166.4 | 158.4 | 0 | 0 | 112.6 | L1481 T1482 | E1478-L1481 PolarHBondContact O-N 2.81Å; E1478-T1482 PolarHBondContact O-N 2.79Å; E1478-T1482 VanDerWaalsContact O-N 3.12Å; E1478-T1482 PolarHBondContact O-OG1 3.37Å |
| 1479 | E | 54.1 | Low | 55.4 | Low | 141 Ų | 141 | 119.4 Ų | 119.4 | 66% | 0.659 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.1 | -39.1 | 176.9 | -73 | -175.3 | 161.6 | 0 | 0 | 111.8 | L1481 T1482 E1483 | E1479-L1481 VanDerWaalsContact C-N 3.34Å; E1479-L1481 PolarHBondContact O-N 3.37Å; E1479-T1482 WeakPolarHBondContact CA-OG1 3.44Å; E1479-T1482 PolarHBondContact O-N 3.34Å; E1479-T1482 PolarHBondContact O-OG1 2.82Å; E1479-T1482 VanDerWaalsContact O-OG1 3.05Å; E1479-E1483 WeakPolarHBondContact O-CB 3.28Å; E1479-E1483 PolarHBondContact O-N 3.43Å |
| 1480 | T | 59.5 | Low | 57.3 | Low | 91 Ų | 91 | 114 Ų | 114 | 56% | 0.558 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.2 | -30.7 | 179.5 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | N1477 A1484 | N1477-T1480 PolarHBondContact O-OG1 3.35Å; T1480-A1484 PolarHBondContact O-N 3.03Å |
| 1481 | L | 57.2 | Low | 59.4 | Low | 115 Ų | 115 | 116.2 Ų | 116.2 | 60% | 0.602 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79.1 | -33.2 | 178.2 | -126.7 | 152.8 | 0 | 0 | 0 | 112 | E1478 E1479 L1485 | E1478-L1481 PolarHBondContact O-N 2.81Å; E1479-L1481 VanDerWaalsContact C-N 3.34Å; E1479-L1481 PolarHBondContact O-N 3.37Å; L1481-L1485 HydrophobicContact CD2-CD1 4.49Å; L1481-L1485 PolarHBondContact O-N 2.84Å |
| 1482 | T | 68.6 | Low | 61.1 | Low | 72 Ų | 72 | 111.3 Ų | 111.3 | 44% | 0.442 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -74.8 | -34 | 174.6 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | E1478 E1479 R1486 | E1478-T1482 PolarHBondContact O-N 2.79Å; E1478-T1482 VanDerWaalsContact O-N 3.12Å; E1478-T1482 PolarHBondContact O-OG1 3.37Å; E1479-T1482 WeakPolarHBondContact CA-OG1 3.44Å; E1479-T1482 PolarHBondContact O-N 3.34Å; E1479-T1482 PolarHBondContact O-OG1 2.82Å; E1479-T1482 VanDerWaalsContact O-OG1 3.05Å; T1482-R1486 PolarHBondContact O-N 3.37Å; T1482-R1486 VanDerWaalsContact O-N 3.09Å |
| 1483 | E | 70.4 | Confident | 62.7 | Low | 96 Ų | 96 | 111.3 Ų | 111.3 | 45% | 0.449 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.6 | -46.8 | 171.9 | -136.3 | 72.9 | -160.9 | 0 | 0 | 111.1 | E1479 L1485 R1486 E1487 | E1479-E1483 WeakPolarHBondContact O-CB 3.28Å; E1479-E1483 PolarHBondContact O-N 3.43Å; E1483-L1485 PolarHBondContact O-N 3.31Å; E1483-R1486 WeakPolarHBondContact O-CB 3.31Å; E1483-R1486 PolarHBondContact O-N 2.88Å; E1483-R1486 IonicContact OE1-CZ 3.38Å; E1483-R1486 IonicContact OE1-NH1 3.12Å; E1483-R1486 PolarHBondContact OE1-NH1 3.32Å; E1483-R1486 IonicContact OE1-NH2 3.57Å; E1483-R1486 IonicContact OE2-CZ 2.79Å; E1483-R1486 IonicContact OE2-NH1 3.92Å; E1483-R1486 PolarHBondContact OE2-NH1 2.84Å; E1483-R1486 VanDerWaalsContact OE2-NH1 3.08Å; E1483-R1486 IonicContact OE2-NH2 3Å; E1483-R1486 PolarHBondContact OE2-NH2 3.13Å; E1483-E1487 PolarHBondContact O-N 3.49Å |
| 1484 | A | 70.3 | Confident | 63.9 | Low | 54 Ų | 54 | 111.4 Ų | 111.4 | 45% | 0.446 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.9 | -37.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1480 R1486 C1488 | T1480-A1484 PolarHBondContact O-N 3.03Å; A1484-R1486 VanDerWaalsContact C-N 3.33Å; A1484-C1488 WeakPolarHBondContact O-CB 3.26Å; A1484-C1488 PolarHBondContact O-N 2.76Å |
| 1485 | L | 74 | Confident | 64.9 | Low | 116 Ų | 116 | 107 Ų | 107 | 61% | 0.607 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.9 | -30.6 | 173.4 | -80.2 | 168.3 | 0 | 0 | 0 | 112.6 | L1481 E1483 K1489 | L1481-L1485 HydrophobicContact CD2-CD1 4.49Å; L1481-L1485 PolarHBondContact O-N 2.84Å; E1483-L1485 PolarHBondContact O-N 3.31Å; L1485-K1489 WeakPolarHBondContact O-CB 3.46Å; L1485-K1489 PolarHBondContact O-N 3.44Å; L1485-K1489 VanDerWaalsContact O-N 3.12Å |
| 1486 | R | 72 | Confident | 65.7 | Low | 136 Ų | 136 | 106.2 Ų | 106.2 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.4 | -42.1 | 176 | -130.5 | -178.8 | -60.5 | 116.4 | 3.8 | 111.5 | T1482 E1483 A1484 K1489 A1490 | T1482-R1486 PolarHBondContact O-N 3.37Å; T1482-R1486 VanDerWaalsContact O-N 3.09Å; E1483-R1486 WeakPolarHBondContact O-CB 3.31Å; E1483-R1486 PolarHBondContact O-N 2.88Å; E1483-R1486 IonicContact OE1-CZ 3.38Å; E1483-R1486 IonicContact OE1-NH1 3.12Å; E1483-R1486 PolarHBondContact OE1-NH1 3.32Å; E1483-R1486 IonicContact OE1-NH2 3.57Å; E1483-R1486 IonicContact OE2-CZ 2.79Å; E1483-R1486 IonicContact OE2-NH1 3.92Å; E1483-R1486 PolarHBondContact OE2-NH1 2.84Å; E1483-R1486 VanDerWaalsContact OE2-NH1 3.08Å; E1483-R1486 IonicContact OE2-NH2 3Å; E1483-R1486 PolarHBondContact OE2-NH2 3.13Å; A1484-R1486 VanDerWaalsContact C-N 3.33Å; R1486-K1489 PolarHBondContact O-N 2.83Å; R1486-A1490 WeakPolarHBondContact O-CB 2.98Å; R1486-A1490 PolarHBondContact O-N 3.02Å |
| 1487 | E | 76.4 | Confident | 65.7 | Low | 138 Ų | 138 | 112.1 Ų | 112.1 | 65% | 0.645 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.3 | -45.9 | 174 | -83.6 | -174.7 | 153.6 | 0 | 0 | 111.8 | E1483 K1489 A1490 E1491 | E1483-E1487 PolarHBondContact O-N 3.49Å; E1487-K1489 VanDerWaalsContact C-N 3.25Å; E1487-K1489 PolarHBondContact O-N 3.37Å; E1487-A1490 PolarHBondContact O-N 3.04Å; E1487-A1490 VanDerWaalsContact O-N 3.17Å; E1487-E1491 PolarHBondContact O-N 3.47Å |
| 1488 | C | 75.1 | Confident | 65.6 | Low | 81 Ų | 81 | 114.7 Ų | 114.7 | 55% | 0.547 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.3 | -37.4 | 176.1 | -115.6 | 0 | 0 | 0 | 0 | 112.2 | A1484 Q1492 | A1484-C1488 WeakPolarHBondContact O-CB 3.26Å; A1484-C1488 PolarHBondContact O-N 2.76Å; C1488-Q1492 WeakPolarHBondContact O-CB 3.18Å; C1488-Q1492 PolarHBondContact O-N 2.83Å; C1488-Q1492 VanDerWaalsContact O-N 3.13Å |
| 1489 | K | 77.6 | Confident | 65.5 | Low | 136 Ų | 136 | 114.3 Ų | 114.3 | 59% | 0.591 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.1 | -37.1 | 177.9 | -158.8 | 176 | -176.7 | -175.8 | 0 | 112.4 | L1485 R1486 E1487 Q1492 E1493 | L1485-K1489 WeakPolarHBondContact O-CB 3.46Å; L1485-K1489 PolarHBondContact O-N 3.44Å; L1485-K1489 VanDerWaalsContact O-N 3.12Å; R1486-K1489 PolarHBondContact O-N 2.83Å; E1487-K1489 VanDerWaalsContact C-N 3.25Å; E1487-K1489 PolarHBondContact O-N 3.37Å; K1489-Q1492 PolarHBondContact O-N 3.44Å; K1489-E1493 PolarHBondContact O-N 2.9Å |
| 1490 | A | 73.4 | Confident | 65 | Low | 48 Ų | 48 | 116 Ų | 116 | 40% | 0.397 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.6 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1486 E1487 Q1492 E1493 N1494 | R1486-A1490 WeakPolarHBondContact O-CB 2.98Å; R1486-A1490 PolarHBondContact O-N 3.02Å; E1487-A1490 PolarHBondContact O-N 3.04Å; E1487-A1490 VanDerWaalsContact O-N 3.17Å; A1490-Q1492 VanDerWaalsContact C-N 3.33Å; A1490-E1493 PolarHBondContact O-N 3.46Å; A1490-N1494 WeakPolarHBondContact O-CB 3.24Å; A1490-N1494 PolarHBondContact O-N 3.5Å |
| 1491 | E | 74.8 | Confident | 64.2 | Low | 140 Ų | 140 | 114.7 Ų | 114.7 | 65% | 0.654 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.6 | -38.4 | 173.1 | -74.7 | -174.3 | 160.3 | 0 | 0 | 111.8 | E1487 N1494 A1495 | E1487-E1491 PolarHBondContact O-N 3.47Å; E1491-N1494 PolarHBondContact O-N 3.18Å; E1491-A1495 WeakPolarHBondContact O-CB 3.47Å; E1491-A1495 PolarHBondContact O-N 2.93Å |
| 1492 | Q | 71.3 | Confident | 63.3 | Low | 140 Ų | 140 | 114.8 Ų | 114.8 | 65% | 0.654 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.3 | -39.8 | 177.1 | -142.5 | 172.8 | 11.7 | 0 | 0 | 112.1 | C1488 K1489 A1490 A1495 V1496 | C1488-Q1492 WeakPolarHBondContact O-CB 3.18Å; C1488-Q1492 PolarHBondContact O-N 2.83Å; C1488-Q1492 VanDerWaalsContact O-N 3.13Å; K1489-Q1492 PolarHBondContact O-N 3.44Å; A1490-Q1492 VanDerWaalsContact C-N 3.33Å; Q1492-A1495 PolarHBondContact O-N 2.85Å; Q1492-V1496 WeakPolarHBondContact O-CG2 3.07Å; Q1492-V1496 PolarHBondContact O-N 3.19Å; Q1492-V1496 VanDerWaalsContact O-N 3.17Å |
| 1493 | E | 70.8 | Confident | 62 | Low | 112 Ų | 112 | 120.2 Ų | 120.2 | 52% | 0.523 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.4 | -42.9 | 174 | -76.7 | 177 | -175.9 | 0 | 0 | 111.5 | K1489 A1490 A1495 V1496 W1497 | K1489-E1493 PolarHBondContact O-N 2.9Å; A1490-E1493 PolarHBondContact O-N 3.46Å; E1493-A1495 VanDerWaalsContact C-N 3.33Å; E1493-A1495 PolarHBondContact O-N 2.83Å; E1493-V1496 PolarHBondContact O-N 3.13Å; E1493-W1497 VanDerWaalsContact O-CD1 3.23Å; E1493-W1497 PolarHBondContact O-N 3.41Å |
| 1494 | N | 65.7 | Low | 61.6 | Low | 114 Ų | 114 | 121.4 Ų | 121.4 | 61% | 0.61 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.5 | -34.6 | 175.8 | -85.9 | -12.1 | 0 | 0 | 0 | 113.1 | A1490 E1491 V1496 W1497 F1498 | A1490-N1494 WeakPolarHBondContact O-CB 3.24Å; A1490-N1494 PolarHBondContact O-N 3.5Å; E1491-N1494 PolarHBondContact O-N 3.18Å; N1494-V1496 VanDerWaalsContact C-N 3.34Å; N1494-W1497 PolarHBondContact O-N 3.22Å; N1494-F1498 PolarHBondContact O-N 3.32Å; N1494-F1498 VanDerWaalsContact O-N 3.08Å |
| 1495 | A | 59.3 | Low | 61.1 | Low | 58 Ų | 58 | 124.9 Ų | 124.9 | 48% | 0.479 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.8 | -38.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1491 Q1492 E1493 F1498 E1499 | E1491-A1495 WeakPolarHBondContact O-CB 3.47Å; E1491-A1495 PolarHBondContact O-N 2.93Å; Q1492-A1495 PolarHBondContact O-N 2.85Å; E1493-A1495 VanDerWaalsContact C-N 3.33Å; E1493-A1495 PolarHBondContact O-N 2.83Å; A1495-F1498 PolarHBondContact O-N 3.4Å; A1495-E1499 PolarHBondContact O-N 3.18Å |
| 1496 | V | 60.1 | Low | 60.4 | Low | 77 Ų | 77 | 125.4 Ų | 125.4 | 47% | 0.467 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67.1 | -38.5 | 175.3 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | Q1492 E1493 N1494 F1498 E1499 Y1500 | Q1492-V1496 WeakPolarHBondContact O-CG2 3.07Å; Q1492-V1496 PolarHBondContact O-N 3.19Å; Q1492-V1496 VanDerWaalsContact O-N 3.17Å; E1493-V1496 PolarHBondContact O-N 3.13Å; N1494-V1496 VanDerWaalsContact C-N 3.34Å; V1496-F1498 VanDerWaalsContact C-N 3.3Å; V1496-F1498 PolarHBondContact O-N 2.81Å; V1496-E1499 PolarHBondContact O-N 3.25Å; V1496-Y1500 HydrophobicContact CG1-CD2 4.14Å; V1496-Y1500 HydrophobicContact CG1-CE2 4.37Å; V1496-Y1500 WeakPolarHBondContact O-CD2 3.22Å; V1496-Y1500 PolarHBondContact O-N 2.95Å |
| 1497 | W | 50.7 | Low | 59.7 | Low | 202 Ų | 202 | 124.8 Ų | 124.8 | 77% | 0.765 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.2 | -30.7 | 175 | -82.4 | 98.8 | 0 | 0 | 0 | 113.2 | E1493 N1494 G1501 | E1493-W1497 VanDerWaalsContact O-CD1 3.23Å; E1493-W1497 PolarHBondContact O-N 3.41Å; N1494-W1497 PolarHBondContact O-N 3.22Å; W1497-G1501 PolarHBondContact O-N 3.49Å |
| 1498 | F | 47.3 | Very low | 58.7 | Low | 177 Ų | 177 | 124 Ų | 124 | 78% | 0.776 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.8 | -32.4 | 176.3 | -126.9 | -84.2 | 0 | 0 | 0 | 113 | N1494 A1495 V1496 | N1494-F1498 PolarHBondContact O-N 3.32Å; N1494-F1498 VanDerWaalsContact O-N 3.08Å; A1495-F1498 PolarHBondContact O-N 3.4Å; V1496-F1498 VanDerWaalsContact C-N 3.3Å; V1496-F1498 PolarHBondContact O-N 2.81Å |
| 1499 | E | 46.3 | Very low | 57.6 | Low | 156 Ų | 156 | 126.9 Ų | 126.9 | 73% | 0.729 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.3 | -31.4 | 173.3 | -88.3 | -168.9 | 154.4 | 0 | 0 | 112.8 | A1495 V1496 | A1495-E1499 PolarHBondContact O-N 3.18Å; V1496-E1499 PolarHBondContact O-N 3.25Å |
| 1500 | Y | 45.2 | Very low | 56.2 | Low | 178 Ų | 178 | 126.2 Ų | 126.2 | 70% | 0.698 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -84.7 | -5.4 | 177.7 | -85.5 | -84.7 | 0 | 0 | 0 | 114.8 | V1496 | V1496-Y1500 HydrophobicContact CG1-CD2 4.14Å; V1496-Y1500 HydrophobicContact CG1-CE2 4.37Å; V1496-Y1500 WeakPolarHBondContact O-CD2 3.22Å; V1496-Y1500 PolarHBondContact O-N 2.95Å |
| 1501 | G | 41.7 | Very low | 54.8 | Low | 62 Ų | 62 | 132.2 Ų | 132.2 | 64% | 0.639 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -4.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | W1497 | W1497-G1501 PolarHBondContact O-N 3.49Š|
| 1502 | C | 38.6 | Very low | 53.2 | Low | 117 Ų | 117 | 131.6 Ų | 131.6 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 17.6 | -178.9 | -80.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1503 | V | 40.9 | Very low | 51.5 | Low | 186 Ų | 186 | 130.8 Ų | 130.8 | 100% | 1.127 | 69% | 0.691 | S | S | * | * | trans | -124.8 | 0 | 169.8 | -175.7 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 1,503 of 1,503 residues in 2918.1 ms
(Link to these results)