| 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 | 29.3 | Very low | 51.9 | Low | 231 Ų | 231 | 128.8 Ų | 128.8 | 100% | 1.138 | 67% | 0.665 | S | S | * | * | 0 | 130.8 | 0 | -76 | -169.3 | 143.4 | 0 | 0 | 107.8 | |||||
| 2 | P | 32.6 | Very low | 54.4 | Low | 123 Ų | 123 | 119.9 Ų | 119.9 | 80% | 0.799 | 62% | 0.621 | S | S | * | * | trans | -63.9 | 138.7 | 166.9 | 1.8 | 13.4 | 0 | 0 | 0 | 108.1 | ||||
| 3 | P | 36.8 | Very low | 56.7 | Low | 120 Ų | 120 | 112.1 Ų | 112.1 | 78% | 0.779 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -73 | 150.7 | -177.4 | 31.8 | -32.6 | 0 | 0 | 0 | 110.4 | ||
| 4 | E | 35.7 | Very low | 58.6 | Low | 160 Ų | 160 | 108.2 Ų | 108.2 | 75% | 0.748 | 57% | 0.573 | S | S | * | * | trans | 76.3 | 66 | 174.7 | -54.8 | -178.1 | -173.1 | 0 | 0 | 117 | R6 | E4-R6 PolarHBondContact O-N 3.1Š| ||
| 5 | S | 42.6 | Very low | 60.5 | Low | 111 Ų | 111 | 108.3 Ų | 108.3 | 78% | 0.776 | 57% | 0.567 | S | S | * | * | trans | -63.9 | 92.4 | 144.4 | 47.4 | 0 | 0 | 0 | 0 | 107.7 | K7 | S5-K7 PolarHBondContact O-N 3.19Š| ||
| 6 | R | 48.2 | Very low | 62.2 | Low | 160 Ų | 160 | 102.6 Ų | 102.6 | 60% | 0.604 | 54% | 0.536 | S | S | * | . | trans | -51.5 | 111.8 | 170.3 | -72.8 | -179.7 | -177.4 | 164.1 | 0.4 | 107.4 | E4 L8 | E4-R6 PolarHBondContact O-N 3.1Å; R6-L8 PolarHBondContact O-N 3.32Å | ||
| 7 | K | 56.1 | Low | 63.5 | Low | 178 Ų | 178 | 105.1 Ų | 105.1 | 77% | 0.774 | 55% | 0.545 | S | S | * | . | trans | -60.1 | 129.9 | 173.4 | -78 | -178.7 | 174.3 | -179.3 | 0 | 107.4 | S5 D9 | S5-K7 PolarHBondContact O-N 3.19Å; K7-D9 PolarHBondContact O-N 3.06Å; K7-D9 VanDerWaalsContact O-N 3.07Å | ||
| 8 | L | 68.7 | Low | 64.8 | Low | 12 Ų | 12 | 100.5 Ų | 100.5 | 6% | 0.063 | 52% | 0.523 | C | S | . | . | trans | -58 | 112.5 | 167 | -128 | 83 | 0 | 0 | 0 | 108.2 | R6 L13 V30 I31 Q34 I44 V48 | R6-L8 PolarHBondContact O-N 3.32Å; L8-L13 HydrophobicContact CD2-CD2 4.14Å; L8-L13 HydrophobicContact CD2-CG 4.45Å; L8-V30 HydrophobicContact CD1-CG1 3.99Å; L8-I31 HydrophobicContact CD1-CG1 3.78Å; L8-I31 HydrophobicContact CD2-CG1 4.14Å; L8-I31 HydrophobicContact CG-CG1 4.49Å; L8-Q34 VanDerWaalsContact CB-OE1 3.3Å; L8-I44 HydrophobicContact CB-CG2 4.37Å; L8-I44 HydrophobicContact CD2-CG2 3.95Å; L8-V48 HydrophobicContact CD2-CG2 3.27Å | ||
| 9 | D | 70.5 | Confident | 65.9 | Low | 70 Ų | 70 | 101.8 Ų | 101.8 | 37% | 0.374 | 54% | 0.542 | S | S | . | . | trans | -120 | 167.1 | 170.6 | 66 | -11.6 | 0 | 0 | 0 | 109.7 | K7 N11 T12 L13 | K7-D9 PolarHBondContact O-N 3.06Å; K7-D9 VanDerWaalsContact O-N 3.07Å; D9-N11 PolarHBondContact O-N 3.1Å; D9-N11 PolarHBondContact OD2-ND2 3.44Å; D9-T12 PolarHBondContact O-N 3.16Å; D9-T12 VanDerWaalsContact O-N 3.08Å; D9-T12 WeakPolarHBondContact OD1-CB 3.5Å; D9-T12 PolarHBondContact OD1-N 3.15Å; D9-T12 PolarHBondContact OD1-OG1 2.79Å; D9-L13 PolarHBondContact O-N 2.97Å; D9-L13 VanDerWaalsContact O-N 3.13Å | ||
| 10 | E | 74.9 | Confident | 67 | Low | 132 Ų | 132 | 99.7 Ų | 99.7 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -56.8 | -33.5 | 176.9 | -81.2 | -174.4 | 150.9 | 0 | 0 | 112.1 | T12 L13 A14 L47 | E10-T12 VanDerWaalsContact C-N 3.35Å; E10-T12 PolarHBondContact O-N 3.38Å; E10-L13 PolarHBondContact O-N 2.91Å; E10-A14 WeakPolarHBondContact O-CB 3.22Å; E10-A14 PolarHBondContact O-N 3.3Å; E10-L47 HydrophobicContact CG-CD1 3.87Å |
| 11 | N | 75.4 | Confident | 68.2 | Low | 120 Ų | 120 | 99.8 Ų | 99.8 | 64% | 0.642 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.2 | -38.4 | 176.8 | -63.2 | -41.7 | 0 | 0 | 0 | 112.4 | D9 | D9-N11 PolarHBondContact O-N 3.1Å; D9-N11 PolarHBondContact OD2-ND2 3.44Å |
| 12 | T | 81.7 | Confident | 71.2 | Confident | 22 Ų | 22 | 92.8 Ų | 92.8 | 14% | 0.135 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 174.7 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | D9 E10 K15 V27 | D9-T12 PolarHBondContact O-N 3.16Å; D9-T12 VanDerWaalsContact O-N 3.08Å; D9-T12 WeakPolarHBondContact OD1-CB 3.5Å; D9-T12 PolarHBondContact OD1-N 3.15Å; D9-T12 PolarHBondContact OD1-OG1 2.79Å; E10-T12 VanDerWaalsContact C-N 3.35Å; E10-T12 PolarHBondContact O-N 3.38Å; T12-K15 WeakPolarHBondContact O-CB 3.21Å; T12-K15 PolarHBondContact O-N 3.46Å; T12-V27 HydrophobicContact CG2-CG1 4.39Å |
| 13 | L | 84.6 | Confident | 73.9 | Confident | 18 Ų | 18 | 90.5 Ų | 90.5 | 9% | 0.094 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -68.3 | -34.9 | 176.1 | -69.9 | 174.6 | 0 | 0 | 0 | 112.7 | L8 D9 E10 K15 L16 I31 L47 V48 | L8-L13 HydrophobicContact CD2-CD2 4.14Å; L8-L13 HydrophobicContact CD2-CG 4.45Å; D9-L13 PolarHBondContact O-N 2.97Å; D9-L13 VanDerWaalsContact O-N 3.13Å; E10-L13 PolarHBondContact O-N 2.91Å; L13-K15 PolarHBondContact O-N 3.49Å; L13-K15 VanDerWaalsContact O-N 3.14Å; L13-L16 HydrophobicContact CD2-CD1 4.19Å; L13-L16 VanDerWaalsContact O-CB 3.24Å; L13-L16 WeakPolarHBondContact O-CB 3.31Å; L13-L16 PolarHBondContact O-N 3.29Å; L13-I31 HydrophobicContact CD2-CD1 3.93Å; L13-L47 HydrophobicContact CD1-CB 3.97Å; L13-V48 HydrophobicContact CD1-CG2 4.24Å; L13-V48 HydrophobicContact CD2-CG2 4.22Å |
| 14 | A | 83.4 | Confident | 76.6 | Confident | 58 Ų | 58 | 86.3 Ų | 86.3 | 48% | 0.479 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.8 | -25.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E10 L16 E17 | E10-A14 WeakPolarHBondContact O-CB 3.22Å; E10-A14 PolarHBondContact O-N 3.3Å; A14-L16 PolarHBondContact O-N 3.25Å; A14-E17 WeakPolarHBondContact O-CB 3.25Å; A14-E17 PolarHBondContact O-N 3.29Å |
| 15 | K | 87.3 | Confident | 79.4 | Confident | 110 Ų | 110 | 83.5 Ų | 83.5 | 48% | 0.478 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -66 | -13.4 | 173.2 | -66.1 | 179 | -179 | 179.7 | 0 | 113.6 | T12 L13 E17 S18 V27 | T12-K15 WeakPolarHBondContact O-CB 3.21Å; T12-K15 PolarHBondContact O-N 3.46Å; L13-K15 PolarHBondContact O-N 3.49Å; L13-K15 VanDerWaalsContact O-N 3.14Å; K15-E17 PolarHBondContact O-N 3.34Å; K15-S18 WeakPolarHBondContact O-CB 3.5Å; K15-S18 PolarHBondContact O-N 3.16Å; K15-S18 VanDerWaalsContact O-N 3.15Å; K15-V27 HydrophobicContact CB-CG2 3.58Å |
| 16 | L | 88.2 | Confident | 81.7 | Confident | 16 Ų | 16 | 84.1 Ų | 84.1 | 8% | 0.084 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -67.5 | -12.6 | 167.7 | -70 | 168.9 | 0 | 0 | 0 | 112.8 | L13 A14 R24 V27 L28 A51 V55 | L13-L16 HydrophobicContact CD2-CD1 4.19Å; L13-L16 VanDerWaalsContact O-CB 3.24Å; L13-L16 WeakPolarHBondContact O-CB 3.31Å; L13-L16 PolarHBondContact O-N 3.29Å; A14-L16 PolarHBondContact O-N 3.25Å; L16-R24 HydrophobicContact CD2-CB 4.47Å; L16-R24 WeakPolarHBondContact O-CD 3.16Å; L16-V27 HydrophobicContact CD1-CG1 4.18Å; L16-V27 HydrophobicContact CD2-CB 3.9Å; L16-V27 HydrophobicContact CD2-CG1 3.89Å; L16-V27 HydrophobicContact CG-CB 4.17Å; L16-V27 HydrophobicContact CG-CG1 3.72Å; L16-L28 HydrophobicContact CD2-CD2 4Å; L16-L28 HydrophobicContact CD2-CG 4.06Å; L16-A51 HydrophobicContact CD1-CB 3.76Å; L16-V55 HydrophobicContact CD2-CG2 4.3Å |
| 17 | E | 84 | Confident | 83.8 | Confident | 145 Ų | 145 | 76.7 Ų | 76.7 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -96.4 | -1 | 173.4 | -56.7 | -168.2 | 154.7 | 0 | 0 | 112.7 | A14 K15 S19 Q54 | A14-E17 WeakPolarHBondContact O-CB 3.25Å; A14-E17 PolarHBondContact O-N 3.29Å; K15-E17 PolarHBondContact O-N 3.34Å; E17-S19 PolarHBondContact O-N 2.84Å; E17-Q54 PolarHBondContact OE1-NE2 2.66Å |
| 18 | S | 87 | Confident | 85.5 | Confident | 23 Ų | 23 | 68.3 Ų | 68.3 | 16% | 0.161 | 35% | 0.348 | C | S | . | . | trans | -53.8 | 139.1 | 174.9 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | K15 N20 E23 R24 | K15-S18 WeakPolarHBondContact O-CB 3.5Å; K15-S18 PolarHBondContact O-N 3.16Å; K15-S18 VanDerWaalsContact O-N 3.15Å; S18-N20 PolarHBondContact O-N 3.07Å; S18-N20 WeakPolarHBondContact OG-CB 3.4Å; S18-N20 PolarHBondContact OG-N 3.06Å; S18-E23 VanDerWaalsContact CB-OE2 3.31Å; S18-E23 WeakPolarHBondContact CB-OE2 3.4Å; S18-E23 PolarHBondContact OG-OE2 3.07Å; S18-R24 WeakPolarHBondContact O-CD 3.36Å; S18-R24 PolarHBondContact O-NH1 2.85Å | ||
| 19 | S | 84.8 | Confident | 86.7 | Confident | 125 Ų | 125 | 70.6 Ų | 70.6 | 87% | 0.874 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -64.6 | -25.7 | 170.8 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | E17 W21 R24 | E17-S19 PolarHBondContact O-N 2.84Å; S19-W21 PolarHBondContact O-N 3.12Å; S19-R24 PolarHBondContact O-NH1 2.8Å |
| 20 | N | 89.3 | Confident | 87.5 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 32% | 0.321 | 35% | 0.352 | S | S | . | . | trans | -78.9 | 110.8 | 180 | -175.1 | -3.6 | 0 | 0 | 0 | 110.6 | S18 Q22 E23 R24 | S18-N20 PolarHBondContact O-N 3.07Å; S18-N20 WeakPolarHBondContact OG-CB 3.4Å; S18-N20 PolarHBondContact OG-N 3.06Å; N20-Q22 PolarHBondContact O-N 3.48Å; N20-Q22 PolarHBondContact OD1-N 3.16Å; N20-Q22 PolarHBondContact OD1-OE1 3.27Å; N20-E23 HydrophobicContact CB-CB 4.26Å; N20-E23 HydrophobicContact CB-CG 4.13Å; N20-E23 PolarHBondContact ND2-OE1 3.33Å; N20-E23 PolarHBondContact O-N 3.26Å; N20-R24 PolarHBondContact O-N 3.23Å | ||
| 21 | W | 91.2 | Very high | 88.2 | Confident | 101 Ų | 101 | 62.9 Ų | 62.9 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.9 | -25 | -175.6 | 71.1 | -94.8 | 0 | 0 | 0 | 112.8 | S19 R24 K25 H61 L64 | S19-W21 PolarHBondContact O-N 3.12Å; W21-R24 PolarHBondContact O-N 2.91Å; W21-K25 HydrophobicContact CZ3-CD 4.22Å; W21-K25 PolarHBondContact O-N 3.5Å; W21-H61 AromaticContact CD2-NE2 3.99Å; W21-L64 HydrophobicContact CB-CD1 4.09Å |
| 22 | Q | 92 | Very high | 88.9 | Confident | 84 Ų | 84 | 57.1 Ų | 57.1 | 39% | 0.393 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 174.7 | -69.5 | 89.2 | -35.1 | 0 | 0 | 111.2 | N20 K25 E26 | N20-Q22 PolarHBondContact O-N 3.48Å; N20-Q22 PolarHBondContact OD1-N 3.16Å; N20-Q22 PolarHBondContact OD1-OE1 3.27Å; Q22-K25 WeakPolarHBondContact O-CB 3.31Å; Q22-K25 PolarHBondContact O-N 3.37Å; Q22-E26 WeakPolarHBondContact O-CG 3.47Å; Q22-E26 PolarHBondContact O-N 3.31Å |
| 23 | E | 90.1 | Very high | 89.1 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 36% | 0.355 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 174.6 | -76.1 | 166.9 | -150.5 | 0 | 0 | 111.1 | S18 N20 K25 E26 V27 | S18-E23 VanDerWaalsContact CB-OE2 3.31Å; S18-E23 WeakPolarHBondContact CB-OE2 3.4Å; S18-E23 PolarHBondContact OG-OE2 3.07Å; N20-E23 HydrophobicContact CB-CB 4.26Å; N20-E23 HydrophobicContact CB-CG 4.13Å; N20-E23 PolarHBondContact ND2-OE1 3.33Å; N20-E23 PolarHBondContact O-N 3.26Å; E23-K25 VanDerWaalsContact C-N 3.28Å; E23-K25 PolarHBondContact O-N 3.04Å; E23-E26 PolarHBondContact O-N 2.82Å; E23-V27 WeakPolarHBondContact O-CG2 3.39Å; E23-V27 PolarHBondContact O-N 3.34Å |
| 24 | R | 93.8 | Very high | 89 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 12% | 0.121 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 174.5 | -58.7 | -159.5 | -62.4 | -79.4 | 6.4 | 111.8 | L16 S18 S19 N20 W21 V27 L28 D59 L64 | L16-R24 HydrophobicContact CD2-CB 4.47Å; L16-R24 WeakPolarHBondContact O-CD 3.16Å; S18-R24 WeakPolarHBondContact O-CD 3.36Å; S18-R24 PolarHBondContact O-NH1 2.85Å; S19-R24 PolarHBondContact O-NH1 2.8Å; N20-R24 PolarHBondContact O-N 3.23Å; W21-R24 PolarHBondContact O-N 2.91Å; R24-V27 PolarHBondContact O-N 3.17Å; R24-L28 WeakPolarHBondContact O-CG 3.46Å; R24-L28 PolarHBondContact O-N 2.75Å; R24-D59 IonicContact CZ-OD2 3.27Å; R24-D59 IonicContact NE-OD2 2.69Å; R24-D59 PolarHBondContact NE-OD2 3.12Å; R24-D59 IonicContact NH2-OD1 3.64Å; R24-D59 PolarHBondContact NH2-OD1 3.04Å; R24-D59 VanDerWaalsContact NH2-OD1 3.16Å; R24-D59 IonicContact NH2-OD2 3.48Å; R24-D59 PolarHBondContact NH2-OD2 3.37Å; R24-L64 HydrophobicContact CB-CD1 3.77Å; R24-L64 HydrophobicContact CB-CD2 4.49Å |
| 25 | K | 93.1 | Very high | 89 | Confident | 100 Ų | 100 | 59.3 Ų | 59.3 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 175.1 | -172.7 | -175.1 | 172.6 | -171.4 | 0 | 111.4 | W21 Q22 E23 V27 L28 E29 L64 | W21-K25 HydrophobicContact CZ3-CD 4.22Å; W21-K25 PolarHBondContact O-N 3.5Å; Q22-K25 WeakPolarHBondContact O-CB 3.31Å; Q22-K25 PolarHBondContact O-N 3.37Å; E23-K25 VanDerWaalsContact C-N 3.28Å; E23-K25 PolarHBondContact O-N 3.04Å; K25-V27 VanDerWaalsContact C-N 3.27Å; K25-V27 PolarHBondContact O-N 2.54Å; K25-L28 PolarHBondContact O-N 2.77Å; K25-E29 PolarHBondContact O-N 2.65Å; K25-L64 HydrophobicContact CB-CD2 3.71Å; K25-L64 HydrophobicContact CG-CD2 4.31Å |
| 26 | E | 91 | Very high | 88.5 | Confident | 124 Ų | 124 | 60.8 Ų | 60.8 | 58% | 0.579 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -57.7 | -41.3 | 178.5 | -75.4 | 178.3 | -172.6 | 0 | 0 | 111.6 | Q22 E23 L28 E29 V30 | Q22-E26 WeakPolarHBondContact O-CG 3.47Å; Q22-E26 PolarHBondContact O-N 3.31Å; E23-E26 PolarHBondContact O-N 2.82Å; E26-L28 PolarHBondContact O-N 3.2Å; E26-E29 PolarHBondContact O-N 3.1Å; E26-V30 WeakPolarHBondContact O-CG2 3.15Å; E26-V30 PolarHBondContact O-N 2.68Å |
| 27 | V | 92.2 | Very high | 87.7 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 176.4 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | T12 K15 L16 E23 R24 K25 E29 V30 I31 | T12-V27 HydrophobicContact CG2-CG1 4.39Å; K15-V27 HydrophobicContact CB-CG2 3.58Å; L16-V27 HydrophobicContact CD1-CG1 4.18Å; L16-V27 HydrophobicContact CD2-CB 3.9Å; L16-V27 HydrophobicContact CD2-CG1 3.89Å; L16-V27 HydrophobicContact CG-CB 4.17Å; L16-V27 HydrophobicContact CG-CG1 3.72Å; E23-V27 WeakPolarHBondContact O-CG2 3.39Å; E23-V27 PolarHBondContact O-N 3.34Å; R24-V27 PolarHBondContact O-N 3.17Å; K25-V27 VanDerWaalsContact C-N 3.27Å; K25-V27 PolarHBondContact O-N 2.54Å; V27-E29 VanDerWaalsContact C-N 3.28Å; V27-E29 PolarHBondContact O-N 3.45Å; V27-V30 PolarHBondContact O-N 3.48Å; V27-V30 VanDerWaalsContact O-N 3.17Å; V27-I31 HydrophobicContact CG1-CD1 4.13Å; V27-I31 WeakPolarHBondContact O-CG1 3.45Å; V27-I31 PolarHBondContact O-N 3.24Å |
| 28 | L | 93.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.3 | -36.8 | 176.1 | -66.8 | 176.4 | 0 | 0 | 0 | 112.3 | L16 R24 K25 E26 S32 L52 L64 R67 A68 | L16-L28 HydrophobicContact CD2-CD2 4Å; L16-L28 HydrophobicContact CD2-CG 4.06Å; R24-L28 WeakPolarHBondContact O-CG 3.46Å; R24-L28 PolarHBondContact O-N 2.75Å; K25-L28 PolarHBondContact O-N 2.77Å; E26-L28 PolarHBondContact O-N 3.2Å; L28-S32 PolarHBondContact O-N 3.08Å; L28-L52 HydrophobicContact CD2-CD2 3.62Å; L28-L64 HydrophobicContact CD1-CB 4.41Å; L28-L64 HydrophobicContact CD1-CD2 4.03Å; L28-R67 HydrophobicContact CB-CG 4.09Å; L28-R67 HydrophobicContact CD1-CB 4.08Å; L28-R67 HydrophobicContact CD1-CG 4.13Å; L28-A68 HydrophobicContact CD1-CB 4.37Å; L28-A68 HydrophobicContact CD2-CB 4.29Å |
| 29 | E | 92.8 | Very high | 85.7 | Confident | 60 Ų | 60 | 66.1 Ų | 66.1 | 28% | 0.28 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.1 | -36.5 | 174.5 | -65 | -52.6 | 147.1 | 0 | 0 | 112.5 | K25 E26 V27 S32 N33 R67 | K25-E29 PolarHBondContact O-N 2.65Å; E26-E29 PolarHBondContact O-N 3.1Å; V27-E29 VanDerWaalsContact C-N 3.28Å; V27-E29 PolarHBondContact O-N 3.45Å; E29-S32 PolarHBondContact O-N 3.41Å; E29-N33 WeakPolarHBondContact O-CB 3.22Å; E29-N33 PolarHBondContact O-N 3.29Å; E29-N33 PolarHBondContact O-ND2 2.85Å; E29-R67 IonicContact OE1-CZ 3.5Å; E29-R67 IonicContact OE1-NE 2.92Å; E29-R67 PolarHBondContact OE1-NE 3.24Å; E29-R67 IonicContact OE1-NH2 3.67Å; E29-R67 IonicContact OE2-CZ 3.61Å; E29-R67 IonicContact OE2-NE 3.65Å; E29-R67 IonicContact OE2-NH2 3.63Å; E29-R67 PolarHBondContact OE2-NH2 3.3Å |
| 30 | V | 88.3 | Confident | 85.1 | Confident | 40 Ų | 40 | 61.1 Ų | 61.1 | 24% | 0.242 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 173.6 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | L8 E26 V27 N33 Q34 | L8-V30 HydrophobicContact CD1-CG1 3.99Å; E26-V30 WeakPolarHBondContact O-CG2 3.15Å; E26-V30 PolarHBondContact O-N 2.68Å; V27-V30 PolarHBondContact O-N 3.48Å; V27-V30 VanDerWaalsContact O-N 3.17Å; V30-N33 PolarHBondContact O-N 3.23Å; V30-Q34 PolarHBondContact O-N 2.86Å |
| 31 | I | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -50 | 177 | -62.5 | 166 | 0 | 0 | 0 | 110.4 | L8 L13 V27 N33 Q34 L35 V48 V71 | L8-I31 HydrophobicContact CD1-CG1 3.78Å; L8-I31 HydrophobicContact CD2-CG1 4.14Å; L8-I31 HydrophobicContact CG-CG1 4.49Å; L13-I31 HydrophobicContact CD2-CD1 3.93Å; V27-I31 HydrophobicContact CG1-CD1 4.13Å; V27-I31 WeakPolarHBondContact O-CG1 3.45Å; V27-I31 PolarHBondContact O-N 3.24Å; I31-N33 PolarHBondContact O-N 2.81Å; I31-Q34 PolarHBondContact O-N 3.1Å; I31-L35 HydrophobicContact CG2-CD1 4.16Å; I31-L35 WeakPolarHBondContact O-CG 3.45Å; I31-L35 PolarHBondContact O-N 3.46Å; I31-V48 HydrophobicContact CG2-CG1 3.93Å; I31-V71 HydrophobicContact CB-CG1 4.22Å; I31-V71 HydrophobicContact CG2-CG1 3.56Å |
| 32 | S | 89.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 179.2 | -178.4 | 0 | 0 | 0 | 0 | 112.6 | L28 E29 Q34 L35 K36 R67 E74 | L28-S32 PolarHBondContact O-N 3.08Å; E29-S32 PolarHBondContact O-N 3.41Å; S32-Q34 VanDerWaalsContact C-N 3.3Å; S32-Q34 PolarHBondContact O-N 3.02Å; S32-L35 PolarHBondContact O-N 3.27Å; S32-K36 WeakPolarHBondContact O-CG 3.26Å; S32-K36 PolarHBondContact O-N 3.08Å; S32-R67 PolarHBondContact OG-NH2 2.87Å; S32-E74 WeakPolarHBondContact CB-OE2 3.45Å; S32-E74 PolarHBondContact OG-OE1 3.17Å; S32-E74 PolarHBondContact OG-OE2 3.39Å |
| 33 | N | 85.7 | Confident | 82.2 | Confident | 89 Ų | 89 | 62 Ų | 62 | 48% | 0.476 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.6 | -35.2 | 178 | -72.9 | -27.4 | 0 | 0 | 0 | 111.9 | E29 V30 I31 K36 C37 | E29-N33 WeakPolarHBondContact O-CB 3.22Å; E29-N33 PolarHBondContact O-N 3.29Å; E29-N33 PolarHBondContact O-ND2 2.85Å; V30-N33 PolarHBondContact O-N 3.23Å; I31-N33 PolarHBondContact O-N 2.81Å; N33-K36 PolarHBondContact O-N 3.49Å; N33-C37 PolarHBondContact O-N 3.14Å; N33-C37 PolarHBondContact O-SG 2.99Å |
| 34 | Q | 82.1 | Confident | 81.7 | Confident | 36 Ų | 36 | 61 Ų | 61 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.7 | -43.2 | 175.3 | -117.3 | -166.2 | -8.9 | 0 | 0 | 112.6 | L8 V30 I31 S32 K36 C37 S38 | L8-Q34 VanDerWaalsContact CB-OE1 3.3Å; V30-Q34 PolarHBondContact O-N 2.86Å; I31-Q34 PolarHBondContact O-N 3.1Å; S32-Q34 VanDerWaalsContact C-N 3.3Å; S32-Q34 PolarHBondContact O-N 3.02Å; Q34-K36 PolarHBondContact O-N 2.83Å; Q34-C37 PolarHBondContact O-N 3.08Å; Q34-S38 PolarHBondContact O-N 3.08Å; Q34-S38 PolarHBondContact O-OG 3.49Å |
| 35 | L | 83.4 | Confident | 81.2 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 10% | 0.099 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.5 | -28.6 | 177.2 | -71.1 | 172.7 | 0 | 0 | 0 | 112.8 | I31 S32 L40 V71 E74 L75 | I31-L35 HydrophobicContact CG2-CD1 4.16Å; I31-L35 WeakPolarHBondContact O-CG 3.45Å; I31-L35 PolarHBondContact O-N 3.46Å; S32-L35 PolarHBondContact O-N 3.27Å; L35-L40 HydrophobicContact CD2-CD1 3.56Å; L35-L40 HydrophobicContact CD2-CG 4.02Å; L35-L40 HydrophobicContact CG-CD1 4.47Å; L35-V71 HydrophobicContact CD1-CG1 4.07Å; L35-E74 HydrophobicContact CD1-CB 4.19Å; L35-L75 HydrophobicContact CD1-CB 4.05Å; L35-L75 HydrophobicContact CD1-CD1 4.41Å; L35-L75 HydrophobicContact CD2-CD1 3.63Å |
| 36 | K | 77.2 | Confident | 80.7 | Confident | 141 Ų | 141 | 55.5 Ų | 55.5 | 61% | 0.613 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -77.9 | -19.8 | 175.5 | -69 | 171.5 | -174.8 | 170.1 | 0 | 113.9 | S32 N33 Q34 | S32-K36 WeakPolarHBondContact O-CG 3.26Å; S32-K36 PolarHBondContact O-N 3.08Å; N33-K36 PolarHBondContact O-N 3.49Å; Q34-K36 PolarHBondContact O-N 2.83Å |
| 37 | C | 71.1 | Confident | 80.5 | Confident | 115 Ų | 115 | 52.9 Ų | 52.9 | 78% | 0.777 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -108.9 | -23.6 | -174.4 | -66.8 | 0 | 0 | 0 | 0 | 113.9 | N33 Q34 | N33-C37 PolarHBondContact O-N 3.14Å; N33-C37 PolarHBondContact O-SG 2.99Å; Q34-C37 PolarHBondContact O-N 3.08Å |
| 38 | S | 64.1 | Low | 80.3 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 41% | 0.413 | 31% | 0.309 | S | S | . | . | trans | -160.7 | 150.9 | -174 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | Q34 | Q34-S38 PolarHBondContact O-N 3.08Å; Q34-S38 PolarHBondContact O-OG 3.49Å | ||
| 39 | T | 66.2 | Low | 80.3 | Confident | 121 Ų | 121 | 52.6 Ų | 52.6 | 74% | 0.742 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 136.4 | 168.5 | 43.9 | 0 | 0 | 0 | 0 | 111 | ||
| 40 | L | 71.7 | Confident | 80.2 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 147.3 | 175.9 | -69.9 | 169.6 | 0 | 0 | 0 | 110.4 | L35 I44 V48 L75 | L35-L40 HydrophobicContact CD2-CD1 3.56Å; L35-L40 HydrophobicContact CD2-CG 4.02Å; L35-L40 HydrophobicContact CG-CD1 4.47Å; L40-I44 HydrophobicContact CD2-CG2 3.98Å; L40-V48 HydrophobicContact CD1-CG2 4.44Å; L40-L75 HydrophobicContact CD1-CD1 3.8Å |
| 41 | S | 71 | Confident | 80.3 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 43% | 0.434 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 147.6 | 167.7 | 61 | 0 | 0 | 0 | 0 | 111.1 | A43 I44 C45 | S41-A43 VanDerWaalsContact C-N 3.32Å; S41-A43 PolarHBondContact O-N 3.37Å; S41-I44 PolarHBondContact O-N 2.86Å; S41-I44 WeakPolarHBondContact OG-CD1 3.47Å; S41-I44 VanDerWaalsContact OG-CG1 3.29Å; S41-I44 WeakPolarHBondContact OG-CG1 3.45Å; S41-C45 PolarHBondContact O-N 3.28Å |
| 42 | D | 69.2 | Low | 80.5 | Confident | 122 Ų | 122 | 54.3 Ų | 54.3 | 65% | 0.652 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -52 | -42.9 | -176.6 | -66.2 | -17.7 | 0 | 0 | 0 | 114.1 | I44 C45 G46 | D42-I44 PolarHBondContact O-N 2.79Å; D42-C45 WeakPolarHBondContact O-CB 3.27Å; D42-C45 PolarHBondContact O-N 3.35Å; D42-G46 PolarHBondContact O-N 2.83Å |
| 43 | A | 71.5 | Confident | 80.8 | Confident | 79 Ų | 79 | 54.6 Ų | 54.6 | 65% | 0.653 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.4 | -45.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S41 C45 G46 L47 | S41-A43 VanDerWaalsContact C-N 3.32Å; S41-A43 PolarHBondContact O-N 3.37Å; A43-C45 VanDerWaalsContact C-N 3.34Å; A43-G46 PolarHBondContact O-N 3.14Å; A43-L47 PolarHBondContact O-N 3.38Å |
| 44 | I | 80.1 | Confident | 81.1 | Confident | 54 Ų | 54 | 54.5 Ų | 54.5 | 28% | 0.277 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 176.6 | -61.9 | 175.1 | 0 | 0 | 0 | 110.1 | L8 L40 S41 D42 G46 L47 V48 | L8-I44 HydrophobicContact CB-CG2 4.37Å; L8-I44 HydrophobicContact CD2-CG2 3.95Å; L40-I44 HydrophobicContact CD2-CG2 3.98Å; S41-I44 PolarHBondContact O-N 2.86Å; S41-I44 WeakPolarHBondContact OG-CD1 3.47Å; S41-I44 VanDerWaalsContact OG-CG1 3.29Å; S41-I44 WeakPolarHBondContact OG-CG1 3.45Å; D42-I44 PolarHBondContact O-N 2.79Å; I44-G46 PolarHBondContact O-N 3.41Å; I44-L47 PolarHBondContact O-N 2.92Å; I44-V48 HydrophobicContact CG2-CG2 4.01Å; I44-V48 VanDerWaalsContact O-CG2 3.28Å; I44-V48 WeakPolarHBondContact O-CG2 2.97Å; I44-V48 PolarHBondContact O-N 3.4Å |
| 45 | C | 82.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | S41 D42 A43 L47 V48 T49 M79 H86 | S41-C45 PolarHBondContact O-N 3.28Å; D42-C45 WeakPolarHBondContact O-CB 3.27Å; D42-C45 PolarHBondContact O-N 3.35Å; A43-C45 VanDerWaalsContact C-N 3.34Å; C45-L47 VanDerWaalsContact C-N 3.31Å; C45-L47 PolarHBondContact O-N 3.36Å; C45-V48 PolarHBondContact O-N 2.97Å; C45-T49 WeakPolarHBondContact O-CB 3.34Å; C45-T49 PolarHBondContact O-N 3Å; C45-T49 PolarHBondContact O-OG1 3.48Å; C45-M79 HydrophobicContact CB-CE 4.22Å; C45-M79 HydrophobicContact CB-SD 3.94Å; C45-M79 PolarHBondContact SG-SD 3.5Å; C45-H86 VanDerWaalsContact SG-CD2 3.58Å |
| 46 | G | 83.8 | Confident | 82.2 | Confident | 18 Ų | 18 | 52.3 Ų | 52.3 | 19% | 0.186 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D42 A43 I44 K50 H86 | D42-G46 PolarHBondContact O-N 2.83Å; A43-G46 PolarHBondContact O-N 3.14Å; I44-G46 PolarHBondContact O-N 3.41Å; G46-K50 WeakPolarHBondContact O-CB 3.44Å; G46-K50 PolarHBondContact O-N 2.91Å; G46-H86 WeakPolarHBondContact CA-NE2 3.39Å; G46-H86 PolarHBondContact N-NE2 3.48Å |
| 47 | L | 84.9 | Confident | 82.8 | Confident | 68 Ų | 68 | 49.7 Ų | 49.7 | 36% | 0.356 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66 | -48.5 | 175.8 | -68.8 | 173.7 | 0 | 0 | 0 | 111.9 | E10 L13 A43 I44 C45 T49 K50 A51 | E10-L47 HydrophobicContact CG-CD1 3.87Å; L13-L47 HydrophobicContact CD1-CB 3.97Å; A43-L47 PolarHBondContact O-N 3.38Å; I44-L47 PolarHBondContact O-N 2.92Å; C45-L47 VanDerWaalsContact C-N 3.31Å; C45-L47 PolarHBondContact O-N 3.36Å; L47-T49 PolarHBondContact O-N 3.46Å; L47-K50 PolarHBondContact O-N 3.25Å; L47-A51 WeakPolarHBondContact O-CB 3.33Å; L47-A51 PolarHBondContact O-N 3.02Å |
| 48 | V | 89.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L8 L13 I31 L40 I44 C45 K50 A51 L52 L75 | L8-V48 HydrophobicContact CD2-CG2 3.27Å; L13-V48 HydrophobicContact CD1-CG2 4.24Å; L13-V48 HydrophobicContact CD2-CG2 4.22Å; I31-V48 HydrophobicContact CG2-CG1 3.93Å; L40-V48 HydrophobicContact CD1-CG2 4.44Å; I44-V48 HydrophobicContact CG2-CG2 4.01Å; I44-V48 VanDerWaalsContact O-CG2 3.28Å; I44-V48 WeakPolarHBondContact O-CG2 2.97Å; I44-V48 PolarHBondContact O-N 3.4Å; C45-V48 PolarHBondContact O-N 2.97Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.4Å; V48-A51 PolarHBondContact O-N 2.94Å; V48-L52 HydrophobicContact CG1-CD1 3.8Å; V48-L52 HydrophobicContact CG1-CG 4.22Å; V48-L52 VanDerWaalsContact O-CG 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.5Å; V48-L52 PolarHBondContact O-N 3.42Å; V48-L75 HydrophobicContact CG1-CD2 4.14Å |
| 49 | T | 92.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 179.6 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | C45 L47 L52 C53 L72 L75 F83 H86 A90 | C45-T49 WeakPolarHBondContact O-CB 3.34Å; C45-T49 PolarHBondContact O-N 3Å; C45-T49 PolarHBondContact O-OG1 3.48Å; L47-T49 PolarHBondContact O-N 3.46Å; T49-L52 PolarHBondContact O-N 3.11Å; T49-C53 WeakPolarHBondContact O-CB 3.36Å; T49-C53 PolarHBondContact O-N 3.26Å; T49-C53 PolarHBondContact O-SG 3.13Å; T49-L72 HydrophobicContact CG2-CD1 4.15Å; T49-L75 WeakPolarHBondContact OG1-CD2 3.22Å; T49-F83 HydrophobicContact CG2-CE2 4.1Å; T49-F83 HydrophobicContact CG2-CZ 3.85Å; T49-F83 WeakPolarHBondContact OG1-CE2 3.48Å; T49-H86 HydrophobicContact CG2-CB 3.87Å; T49-A90 HydrophobicContact CG2-CB 4.35Å |
| 50 | K | 90.4 | Very high | 85.9 | Confident | 121 Ų | 121 | 50.4 Ų | 50.4 | 53% | 0.526 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 175.2 | -178.4 | 176.8 | 177.5 | -174.2 | 0 | 111.3 | G46 L47 V48 C53 Q54 | G46-K50 WeakPolarHBondContact O-CB 3.44Å; G46-K50 PolarHBondContact O-N 2.91Å; L47-K50 PolarHBondContact O-N 3.25Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.4Å; K50-C53 PolarHBondContact O-N 2.66Å; K50-Q54 PolarHBondContact O-N 3.21Å |
| 51 | A | 90.4 | Very high | 86.7 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L16 L47 V48 C53 Q54 V55 | L16-A51 HydrophobicContact CD1-CB 3.76Å; L47-A51 WeakPolarHBondContact O-CB 3.33Å; L47-A51 PolarHBondContact O-N 3.02Å; V48-A51 PolarHBondContact O-N 2.94Å; A51-C53 PolarHBondContact O-N 2.94Å; A51-Q54 WeakPolarHBondContact O-CB 3.44Å; A51-Q54 PolarHBondContact O-N 3.33Å; A51-V55 WeakPolarHBondContact O-CG2 3.26Å; A51-V55 PolarHBondContact O-N 3.24Å |
| 52 | L | 94.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 176.1 | -68 | 173.1 | 0 | 0 | 0 | 111.9 | L28 V48 T49 Q54 V55 I56 A68 V71 L72 L75 | L28-L52 HydrophobicContact CD2-CD2 3.62Å; V48-L52 HydrophobicContact CG1-CD1 3.8Å; V48-L52 HydrophobicContact CG1-CG 4.22Å; V48-L52 VanDerWaalsContact O-CG 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.5Å; V48-L52 PolarHBondContact O-N 3.42Å; T49-L52 PolarHBondContact O-N 3.11Å; L52-Q54 VanDerWaalsContact C-N 3.29Å; L52-Q54 PolarHBondContact O-N 3.25Å; L52-V55 PolarHBondContact O-N 3.2Å; L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.12Å; L52-I56 PolarHBondContact O-N 3.3Å; L52-A68 HydrophobicContact CD2-CB 4.07Å; L52-V71 HydrophobicContact CD1-CB 4.43Å; L52-V71 HydrophobicContact CD1-CG1 3.94Å; L52-V71 HydrophobicContact CD2-CB 4.14Å; L52-V71 HydrophobicContact CD2-CG1 4.06Å; L52-L72 HydrophobicContact CD1-CB 4.19Å; L52-L72 HydrophobicContact CD1-CD1 4.16Å; L52-L75 HydrophobicContact CD1-CD2 4.28Å |
| 53 | C | 95.3 | Very high | 88.5 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.034 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 175.7 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | T49 K50 A51 I56 T57 T93 | T49-C53 WeakPolarHBondContact O-CB 3.36Å; T49-C53 PolarHBondContact O-N 3.26Å; T49-C53 PolarHBondContact O-SG 3.13Å; K50-C53 PolarHBondContact O-N 2.66Å; A51-C53 PolarHBondContact O-N 2.94Å; C53-I56 PolarHBondContact O-N 2.94Å; C53-T57 WeakPolarHBondContact O-CB 3.32Å; C53-T57 PolarHBondContact O-N 3.23Å; C53-T57 PolarHBondContact O-OG1 3.16Å; C53-T93 HydrophobicContact CB-CG2 4.05Å |
| 54 | Q | 92.5 | Very high | 89.6 | Confident | 88 Ų | 88 | 48.3 Ų | 48.3 | 41% | 0.411 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.8 | -48.2 | 175.2 | -173.3 | 174.1 | -16.7 | 0 | 0 | 110.8 | E17 K50 A51 L52 I56 T57 S58 | E17-Q54 PolarHBondContact OE1-NE2 2.66Å; K50-Q54 PolarHBondContact O-N 3.21Å; A51-Q54 WeakPolarHBondContact O-CB 3.44Å; A51-Q54 PolarHBondContact O-N 3.33Å; L52-Q54 VanDerWaalsContact C-N 3.29Å; L52-Q54 PolarHBondContact O-N 3.25Å; Q54-I56 VanDerWaalsContact C-N 3.32Å; Q54-I56 PolarHBondContact O-N 3.45Å; Q54-T57 PolarHBondContact O-N 3.41Å; Q54-T57 VanDerWaalsContact O-N 3.09Å; Q54-S58 PolarHBondContact O-N 3.39Å; Q54-S58 PolarHBondContact O-OG 2.93Å |
| 55 | V | 93.5 | Very high | 90.2 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.4 | -44.7 | 175.4 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | L16 A51 L52 T57 D59 L64 A68 | L16-V55 HydrophobicContact CD2-CG2 4.3Å; A51-V55 WeakPolarHBondContact O-CG2 3.26Å; A51-V55 PolarHBondContact O-N 3.24Å; L52-V55 PolarHBondContact O-N 3.2Å; V55-T57 VanDerWaalsContact C-N 3.28Å; V55-T57 PolarHBondContact O-N 3.47Å; V55-D59 HydrophobicContact CG1-CB 3.91Å; V55-D59 WeakPolarHBondContact O-CB 3.33Å; V55-D59 PolarHBondContact O-N 3.23Å; V55-L64 HydrophobicContact CG1-CB 4.42Å; V55-A68 HydrophobicContact CB-CB 4.03Å; V55-A68 HydrophobicContact CG1-CB 3.62Å |
| 56 | I | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 177.7 | -68.8 | 166.9 | 0 | 0 | 0 | 111.1 | L52 C53 Q54 A68 A69 L72 T93 K97 L109 | L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.12Å; L52-I56 PolarHBondContact O-N 3.3Å; C53-I56 PolarHBondContact O-N 2.94Å; Q54-I56 VanDerWaalsContact C-N 3.32Å; Q54-I56 PolarHBondContact O-N 3.45Å; I56-A68 HydrophobicContact CG1-CB 4.02Å; I56-A69 HydrophobicContact CD1-CB 4.41Å; I56-L72 HydrophobicContact CD1-CD2 3.71Å; I56-T93 HydrophobicContact CB-CG2 4.25Å; I56-T93 HydrophobicContact CG2-CG2 3.98Å; I56-K97 HydrophobicContact CG2-CB 4.12Å; I56-K97 HydrophobicContact CG2-CD 4.49Å; I56-K97 HydrophobicContact CG2-CG 3.93Å; I56-K97 VanDerWaalsContact O-CD 3.3Å; I56-K97 WeakPolarHBondContact O-CD 3.39Å; I56-K97 WeakPolarHBondContact O-CE 3.46Å; I56-K97 PolarHBondContact O-NZ 3.39Å; I56-L109 HydrophobicContact CG2-CD2 4.16Å |
| 57 | T | 90.9 | Very high | 91.4 | Very high | 86 Ų | 86 | 49 Ų | 49 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -77.2 | -50.6 | -175.6 | -51.5 | 0 | 0 | 0 | 0 | 111.8 | C53 Q54 V55 T93 K97 | C53-T57 WeakPolarHBondContact O-CB 3.32Å; C53-T57 PolarHBondContact O-N 3.23Å; C53-T57 PolarHBondContact O-OG1 3.16Å; Q54-T57 PolarHBondContact O-N 3.41Å; Q54-T57 VanDerWaalsContact O-N 3.09Å; V55-T57 VanDerWaalsContact C-N 3.28Å; V55-T57 PolarHBondContact O-N 3.47Å; T57-T93 WeakPolarHBondContact OG1-CG2 3.29Å; T57-K97 PolarHBondContact O-NZ 2.96Å |
| 58 | S | 86.9 | Confident | 91.9 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -110.3 | -15.9 | -164.5 | 58 | 0 | 0 | 0 | 0 | 116.5 | Q54 K60 | Q54-S58 PolarHBondContact O-N 3.39Å; Q54-S58 PolarHBondContact O-OG 2.93Å; S58-K60 PolarHBondContact O-N 3.01Å |
| 59 | D | 90.9 | Very high | 92.2 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | trans | -70.6 | 132.2 | -177.4 | -157.6 | -47.1 | 0 | 0 | 0 | 111.4 | R24 V55 H61 L64 V65 | R24-D59 IonicContact CZ-OD2 3.27Å; R24-D59 IonicContact NE-OD2 2.69Å; R24-D59 PolarHBondContact NE-OD2 3.12Å; R24-D59 IonicContact NH2-OD1 3.64Å; R24-D59 PolarHBondContact NH2-OD1 3.04Å; R24-D59 VanDerWaalsContact NH2-OD1 3.16Å; R24-D59 IonicContact NH2-OD2 3.48Å; R24-D59 PolarHBondContact NH2-OD2 3.37Å; V55-D59 HydrophobicContact CG1-CB 3.91Å; V55-D59 WeakPolarHBondContact O-CB 3.33Å; V55-D59 PolarHBondContact O-N 3.23Å; D59-H61 WeakPolarHBondContact OD1-CB 3.47Å; D59-H61 PolarHBondContact OD1-N 3.46Å; D59-L64 VanDerWaalsContact OD2-CD1 3.31Å; D59-L64 WeakPolarHBondContact OD2-CD1 3.44Å; D59-V65 HydrophobicContact CB-CG2 4.18Å | ||
| 60 | K | 87 | Confident | 92.4 | Very high | 209 Ų | 209 | 46.8 Ų | 46.8 | 91% | 0.909 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -77.1 | -24.9 | 180 | -65 | 179.3 | -179.5 | 175.1 | 0 | 112.1 | S58 S62 | S58-K60 PolarHBondContact O-N 3.01Å; K60-S62 PolarHBondContact O-N 2.94Å |
| 61 | H | 89.4 | Confident | 92.6 | Very high | 64 Ų | 64 | 41 Ų | 41 | 30% | 0.296 | 22% | 0.219 | S | C | . | . | trans | -86.8 | 103.4 | -175.1 | -164.1 | -77 | 0 | 0 | 0 | 110.8 | W21 D59 M63 L64 V65 | W21-H61 AromaticContact CD2-NE2 3.99Å; D59-H61 WeakPolarHBondContact OD1-CB 3.47Å; D59-H61 PolarHBondContact OD1-N 3.46Å; H61-M63 PolarHBondContact O-N 3.45Å; H61-L64 HydrophobicContact CB-CB 4.43Å; H61-L64 HydrophobicContact CB-CD1 3.99Å; H61-L64 HydrophobicContact CB-CG 4.11Å; H61-L64 WeakPolarHBondContact O-CB 3.31Å; H61-L64 PolarHBondContact O-N 3.28Å; H61-V65 PolarHBondContact O-N 3.3Å | ||
| 62 | S | 88.9 | Confident | 92.9 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.4 | -31.1 | -172.3 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | K60 L64 V65 I66 | K60-S62 PolarHBondContact O-N 2.94Å; S62-L64 VanDerWaalsContact C-N 3.31Å; S62-L64 PolarHBondContact O-N 2.98Å; S62-V65 PolarHBondContact O-N 3.07Å; S62-I66 VanDerWaalsContact O-CG1 3.28Å; S62-I66 WeakPolarHBondContact O-CG1 3.39Å; S62-I66 PolarHBondContact O-N 2.98Å |
| 63 | M | 90.1 | Very high | 92.9 | Very high | 114 Ų | 114 | 40.5 Ų | 40.5 | 56% | 0.562 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -67.6 | -31.8 | 177 | -164.1 | 60.4 | 70.4 | 0 | 0 | 112.6 | H61 I66 R67 | H61-M63 PolarHBondContact O-N 3.45Å; M63-I66 HydrophobicContact SD-CD1 4.44Å; M63-R67 WeakPolarHBondContact O-CB 3.47Å; M63-R67 PolarHBondContact O-N 3.43Å |
| 64 | L | 93 | Very high | 92.9 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72 | -39.4 | 175 | -66 | -179.3 | 0 | 0 | 0 | 110.6 | W21 R24 K25 L28 V55 D59 H61 S62 R67 A68 | W21-L64 HydrophobicContact CB-CD1 4.09Å; R24-L64 HydrophobicContact CB-CD1 3.77Å; R24-L64 HydrophobicContact CB-CD2 4.49Å; K25-L64 HydrophobicContact CB-CD2 3.71Å; K25-L64 HydrophobicContact CG-CD2 4.31Å; L28-L64 HydrophobicContact CD1-CB 4.41Å; L28-L64 HydrophobicContact CD1-CD2 4.03Å; V55-L64 HydrophobicContact CG1-CB 4.42Å; D59-L64 VanDerWaalsContact OD2-CD1 3.31Å; D59-L64 WeakPolarHBondContact OD2-CD1 3.44Å; H61-L64 HydrophobicContact CB-CB 4.43Å; H61-L64 HydrophobicContact CB-CD1 3.99Å; H61-L64 HydrophobicContact CB-CG 4.11Å; H61-L64 WeakPolarHBondContact O-CB 3.31Å; H61-L64 PolarHBondContact O-N 3.28Å; S62-L64 VanDerWaalsContact C-N 3.31Å; S62-L64 PolarHBondContact O-N 2.98Å; L64-R67 PolarHBondContact O-N 3.45Å; L64-A68 VanDerWaalsContact O-CB 3.26Å; L64-A68 WeakPolarHBondContact O-CB 3.45Å; L64-A68 PolarHBondContact O-N 2.89Å |
| 65 | V | 94.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 173.8 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | D59 H61 S62 A68 A69 L105 | D59-V65 HydrophobicContact CB-CG2 4.18Å; H61-V65 PolarHBondContact O-N 3.3Å; S62-V65 PolarHBondContact O-N 3.07Å; V65-A68 PolarHBondContact O-N 3.43Å; V65-A69 PolarHBondContact O-N 2.92Å; V65-L105 HydrophobicContact CB-CD1 4.25Å; V65-L105 HydrophobicContact CG1-CD1 3.56Å; V65-L105 HydrophobicContact CG1-CD2 4.07Å; V65-L105 HydrophobicContact CG1-CG 4.5Å |
| 66 | I | 94.8 | Very high | 92.8 | Very high | 33 Ų | 33 | 38 Ų | 38 | 17% | 0.169 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -48.9 | 175.3 | -70.7 | 167.2 | 0 | 0 | 0 | 110.4 | S62 M63 A69 G70 L105 A108 | S62-I66 VanDerWaalsContact O-CG1 3.28Å; S62-I66 WeakPolarHBondContact O-CG1 3.39Å; S62-I66 PolarHBondContact O-N 2.98Å; M63-I66 HydrophobicContact SD-CD1 4.44Å; I66-A69 PolarHBondContact O-N 3.45Å; I66-G70 PolarHBondContact O-N 2.97Å; I66-L105 HydrophobicContact CD1-CB 4.33Å; I66-L105 HydrophobicContact CG1-CB 3.88Å; I66-L105 HydrophobicContact CG1-CD1 3.84Å; I66-L105 HydrophobicContact CG1-CG 4.44Å; I66-A108 HydrophobicContact CG2-CB 4Å |
| 67 | R | 94.8 | Very high | 92.6 | Very high | 51 Ų | 51 | 43.9 Ų | 43.9 | 19% | 0.192 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.9 | -42 | -179.5 | -172.7 | 57.2 | 171.3 | 133.9 | 0.2 | 111.8 | L28 E29 S32 M63 L64 A69 G70 V71 E74 | L28-R67 HydrophobicContact CB-CG 4.09Å; L28-R67 HydrophobicContact CD1-CB 4.08Å; L28-R67 HydrophobicContact CD1-CG 4.13Å; E29-R67 IonicContact OE1-CZ 3.5Å; E29-R67 IonicContact OE1-NE 2.92Å; E29-R67 PolarHBondContact OE1-NE 3.24Å; E29-R67 IonicContact OE1-NH2 3.67Å; E29-R67 IonicContact OE2-CZ 3.61Å; E29-R67 IonicContact OE2-NE 3.65Å; E29-R67 IonicContact OE2-NH2 3.63Å; E29-R67 PolarHBondContact OE2-NH2 3.3Å; S32-R67 PolarHBondContact OG-NH2 2.87Å; M63-R67 WeakPolarHBondContact O-CB 3.47Å; M63-R67 PolarHBondContact O-N 3.43Å; L64-R67 PolarHBondContact O-N 3.45Å; R67-A69 VanDerWaalsContact C-N 3.34Å; R67-A69 PolarHBondContact O-N 3.23Å; R67-G70 CarbonylContact O-C 3.51Å; R67-G70 WeakPolarHBondContact O-CA 3.48Å; R67-G70 PolarHBondContact O-N 3.18Å; R67-G70 VanDerWaalsContact O-N 3.09Å; R67-V71 HydrophobicContact CG-CG2 4.36Å; R67-V71 WeakPolarHBondContact O-CG2 3.38Å; R67-V71 PolarHBondContact O-N 3.09Å; R67-E74 IonicContact CZ-OE1 3.62Å; R67-E74 IonicContact NH1-OE1 2.7Å; R67-E74 PolarHBondContact NH1-OE1 2.91Å |
| 68 | A | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L28 L52 V55 I56 L64 V65 G70 V71 L72 | L28-A68 HydrophobicContact CD1-CB 4.37Å; L28-A68 HydrophobicContact CD2-CB 4.29Å; L52-A68 HydrophobicContact CD2-CB 4.07Å; V55-A68 HydrophobicContact CB-CB 4.03Å; V55-A68 HydrophobicContact CG1-CB 3.62Å; I56-A68 HydrophobicContact CG1-CB 4.02Å; L64-A68 VanDerWaalsContact O-CB 3.26Å; L64-A68 WeakPolarHBondContact O-CB 3.45Å; L64-A68 PolarHBondContact O-N 2.89Å; V65-A68 PolarHBondContact O-N 3.43Å; A68-G70 VanDerWaalsContact C-N 3.34Å; A68-V71 PolarHBondContact O-N 3.39Å; A68-L72 WeakPolarHBondContact O-CB 3.37Å; A68-L72 PolarHBondContact O-N 2.59Å |
| 69 | A | 96.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I56 V65 I66 R67 L72 S73 A108 L109 A112 | I56-A69 HydrophobicContact CD1-CB 4.41Å; V65-A69 PolarHBondContact O-N 2.92Å; I66-A69 PolarHBondContact O-N 3.45Å; R67-A69 VanDerWaalsContact C-N 3.34Å; R67-A69 PolarHBondContact O-N 3.23Å; A69-L72 PolarHBondContact O-N 3.46Å; A69-S73 PolarHBondContact O-N 2.92Å; A69-A108 HydrophobicContact CB-CB 4.05Å; A69-L109 HydrophobicContact CB-CD2 4.06Å; A69-A112 HydrophobicContact CB-CB 4.46Å; A69-A112 WeakPolarHBondContact O-CB 3.35Å |
| 70 | G | 95.8 | Very high | 91.5 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 21% | 0.206 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I66 R67 A68 L72 S73 E74 | I66-G70 PolarHBondContact O-N 2.97Å; R67-G70 CarbonylContact O-C 3.51Å; R67-G70 WeakPolarHBondContact O-CA 3.48Å; R67-G70 PolarHBondContact O-N 3.18Å; R67-G70 VanDerWaalsContact O-N 3.09Å; A68-G70 VanDerWaalsContact C-N 3.34Å; G70-L72 VanDerWaalsContact C-N 3.31Å; G70-L72 PolarHBondContact O-N 3.23Å; G70-S73 VanDerWaalsContact O-CB 3.28Å; G70-S73 WeakPolarHBondContact O-CB 3.45Å; G70-S73 PolarHBondContact O-N 3.04Å; G70-S73 VanDerWaalsContact O-N 3.17Å; G70-E74 WeakPolarHBondContact O-CG 3.43Å; G70-E74 PolarHBondContact O-N 2.62Å |
| 71 | V | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -36.3 | 177.3 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | I31 L35 L52 R67 A68 S73 E74 L75 | I31-V71 HydrophobicContact CB-CG1 4.22Å; I31-V71 HydrophobicContact CG2-CG1 3.56Å; L35-V71 HydrophobicContact CD1-CG1 4.07Å; L52-V71 HydrophobicContact CD1-CB 4.43Å; L52-V71 HydrophobicContact CD1-CG1 3.94Å; L52-V71 HydrophobicContact CD2-CB 4.14Å; L52-V71 HydrophobicContact CD2-CG1 4.06Å; R67-V71 HydrophobicContact CG-CG2 4.36Å; R67-V71 WeakPolarHBondContact O-CG2 3.38Å; R67-V71 PolarHBondContact O-N 3.09Å; A68-V71 PolarHBondContact O-N 3.39Å; V71-S73 VanDerWaalsContact C-N 3.32Å; V71-S73 PolarHBondContact O-N 3.35Å; V71-E74 PolarHBondContact O-N 2.88Å; V71-L75 WeakPolarHBondContact O-CB 3.34Å; V71-L75 PolarHBondContact O-N 2.84Å |
| 72 | L | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.3 | -36.4 | 174.7 | -173.2 | 61.9 | 0 | 0 | 0 | 112 | T49 L52 I56 A68 A69 G70 L75 A76 F83 A90 I116 | T49-L72 HydrophobicContact CG2-CD1 4.15Å; L52-L72 HydrophobicContact CD1-CB 4.19Å; L52-L72 HydrophobicContact CD1-CD1 4.16Å; I56-L72 HydrophobicContact CD1-CD2 3.71Å; A68-L72 WeakPolarHBondContact O-CB 3.37Å; A68-L72 PolarHBondContact O-N 2.59Å; A69-L72 PolarHBondContact O-N 3.46Å; G70-L72 VanDerWaalsContact C-N 3.31Å; G70-L72 PolarHBondContact O-N 3.23Å; L72-L75 HydrophobicContact CD1-CD2 4.41Å; L72-L75 PolarHBondContact O-N 3.42Å; L72-A76 PolarHBondContact O-N 3.42Å; L72-F83 HydrophobicContact CD1-CE2 4.5Å; L72-F83 HydrophobicContact CD1-CZ 3.89Å; L72-A90 HydrophobicContact CD1-CB 4.41Å; L72-A90 HydrophobicContact CD2-CB 4.28Å; L72-I116 HydrophobicContact CD2-CD1 3.98Å; L72-I116 HydrophobicContact CG-CD1 4.19Å |
| 73 | S | 95.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 171.5 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | A69 G70 V71 L75 A76 Q77 S111 | A69-S73 PolarHBondContact O-N 2.92Å; G70-S73 VanDerWaalsContact O-CB 3.28Å; G70-S73 WeakPolarHBondContact O-CB 3.45Å; G70-S73 PolarHBondContact O-N 3.04Å; G70-S73 VanDerWaalsContact O-N 3.17Å; V71-S73 VanDerWaalsContact C-N 3.32Å; V71-S73 PolarHBondContact O-N 3.35Å; S73-L75 VanDerWaalsContact C-N 3.3Å; S73-L75 PolarHBondContact O-N 2.8Å; S73-A76 PolarHBondContact O-N 2.85Å; S73-Q77 WeakPolarHBondContact O-CB 3.26Å; S73-Q77 VanDerWaalsContact O-CG 3.29Å; S73-Q77 WeakPolarHBondContact O-CG 3.12Å; S73-Q77 PolarHBondContact O-N 3.24Å; S73-Q77 VanDerWaalsContact O-N 3.1Å; S73-S111 PolarHBondContact OG-O 3.47Å; S73-S111 PolarHBondContact OG-OG 3.09Å; S73-S111 VanDerWaalsContact OG-OG 3.05Å |
| 74 | E | 94.3 | Very high | 90.4 | Very high | 48 Ų | 48 | 31.4 Ų | 31.4 | 22% | 0.224 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -41.8 | 175.7 | -68.2 | 170.8 | -155.1 | 0 | 0 | 110.9 | S32 L35 R67 G70 V71 S78 | S32-E74 WeakPolarHBondContact CB-OE2 3.45Å; S32-E74 PolarHBondContact OG-OE1 3.17Å; S32-E74 PolarHBondContact OG-OE2 3.39Å; L35-E74 HydrophobicContact CD1-CB 4.19Å; R67-E74 IonicContact CZ-OE1 3.62Å; R67-E74 IonicContact NH1-OE1 2.7Å; R67-E74 PolarHBondContact NH1-OE1 2.91Å; G70-E74 WeakPolarHBondContact O-CG 3.43Å; G70-E74 PolarHBondContact O-N 2.62Å; V71-E74 PolarHBondContact O-N 2.88Å; E74-S78 WeakPolarHBondContact O-CB 3.44Å; E74-S78 PolarHBondContact O-N 2.84Å; E74-S78 PolarHBondContact O-OG 3.19Å |
| 75 | L | 92 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -52.3 | 179.2 | -179.6 | 64.6 | 0 | 0 | 0 | 112 | L35 L40 V48 T49 L52 V71 L72 S73 Q77 S78 M79 F83 | L35-L75 HydrophobicContact CD1-CB 4.05Å; L35-L75 HydrophobicContact CD1-CD1 4.41Å; L35-L75 HydrophobicContact CD2-CD1 3.63Å; L40-L75 HydrophobicContact CD1-CD1 3.8Å; V48-L75 HydrophobicContact CG1-CD2 4.14Å; T49-L75 WeakPolarHBondContact OG1-CD2 3.22Å; L52-L75 HydrophobicContact CD1-CD2 4.28Å; V71-L75 WeakPolarHBondContact O-CB 3.34Å; V71-L75 PolarHBondContact O-N 2.84Å; L72-L75 HydrophobicContact CD1-CD2 4.41Å; L72-L75 PolarHBondContact O-N 3.42Å; S73-L75 VanDerWaalsContact C-N 3.3Å; S73-L75 PolarHBondContact O-N 2.8Å; L75-Q77 VanDerWaalsContact C-N 3.31Å; L75-Q77 PolarHBondContact O-N 3.23Å; L75-S78 PolarHBondContact O-N 2.84Å; L75-S78 PolarHBondContact O-OG 2.66Å; L75-M79 HydrophobicContact CD1-SD 4.17Å; L75-M79 PolarHBondContact O-N 3.45Å; L75-M79 VanDerWaalsContact O-N 3.15Å; L75-F83 HydrophobicContact CD2-CD2 4.43Å; L75-F83 HydrophobicContact CD2-CE2 3.7Å; L75-F83 HydrophobicContact CG-CD2 4.15Å; L75-F83 HydrophobicContact CG-CE2 3.86Å |
| 76 | A | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -40.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L72 S73 N80 F83 A115 I116 T119 | L72-A76 PolarHBondContact O-N 3.42Å; S73-A76 PolarHBondContact O-N 2.85Å; A76-N80 PolarHBondContact O-N 3.09Å; A76-F83 HydrophobicContact CB-CD1 3.85Å; A76-F83 HydrophobicContact CB-CE1 4.09Å; A76-F83 HydrophobicContact CB-CG 4.14Å; A76-A115 HydrophobicContact CB-CB 4.04Å; A76-I116 HydrophobicContact CB-CG1 4.19Å; A76-T119 HydrophobicContact CB-CG2 4.35Å |
| 77 | Q | 90.5 | Very high | 89.5 | Confident | 125 Ų | 125 | 36 Ų | 36 | 58% | 0.584 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -65.7 | -38.8 | 176 | -72.8 | 170.6 | -1.7 | 0 | 0 | 112.7 | S73 L75 M79 A115 | S73-Q77 WeakPolarHBondContact O-CB 3.26Å; S73-Q77 VanDerWaalsContact O-CG 3.29Å; S73-Q77 WeakPolarHBondContact O-CG 3.12Å; S73-Q77 PolarHBondContact O-N 3.24Å; S73-Q77 VanDerWaalsContact O-N 3.1Å; L75-Q77 VanDerWaalsContact C-N 3.31Å; L75-Q77 PolarHBondContact O-N 3.23Å; Q77-M79 VanDerWaalsContact C-N 3.35Å; Q77-M79 PolarHBondContact O-N 2.75Å; Q77-A115 HydrophobicContact CG-CB 3.9Å |
| 78 | S | 83.1 | Confident | 89.3 | Confident | 48 Ų | 48 | 37.3 Ų | 37.3 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.8 | -31.9 | -179.1 | 72 | 0 | 0 | 0 | 0 | 113.4 | E74 L75 | E74-S78 WeakPolarHBondContact O-CB 3.44Å; E74-S78 PolarHBondContact O-N 2.84Å; E74-S78 PolarHBondContact O-OG 3.19Å; L75-S78 PolarHBondContact O-N 2.84Å; L75-S78 PolarHBondContact O-OG 2.66Å |
| 79 | M | 80.7 | Confident | 88.9 | Confident | 32 Ų | 32 | 41.5 Ų | 41.5 | 16% | 0.158 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -95.7 | -21.8 | -177.4 | -72.4 | -170.6 | 75.4 | 0 | 0 | 113.8 | C45 L75 Q77 N81 G82 F83 | C45-M79 HydrophobicContact CB-CE 4.22Å; C45-M79 HydrophobicContact CB-SD 3.94Å; C45-M79 PolarHBondContact SG-SD 3.5Å; L75-M79 HydrophobicContact CD1-SD 4.17Å; L75-M79 PolarHBondContact O-N 3.45Å; L75-M79 VanDerWaalsContact O-N 3.15Å; Q77-M79 VanDerWaalsContact C-N 3.35Å; Q77-M79 PolarHBondContact O-N 2.75Å; M79-N81 PolarHBondContact O-N 3.46Å; M79-G82 PolarHBondContact O-N 3.48Å; M79-F83 HydrophobicContact CB-CB 3.99Å; M79-F83 HydrophobicContact SD-CD2 4.18Å |
| 80 | N | 82.7 | Confident | 88.8 | Confident | 96 Ų | 96 | 41.5 Ų | 41.5 | 51% | 0.513 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | 50.5 | -125.3 | -176 | -159 | -5.8 | 0 | 0 | 0 | 110 | A76 G82 F83 T119 | A76-N80 PolarHBondContact O-N 3.09Å; N80-G82 PolarHBondContact O-N 2.88Å; N80-G82 VanDerWaalsContact O-N 3.08Å; N80-F83 WeakPolarHBondContact O-CB 3.45Å; N80-F83 PolarHBondContact O-N 3.35Å; N80-T119 VanDerWaalsContact O-CB 3.3Å; N80-T119 WeakPolarHBondContact O-CB 3.14Å; N80-T119 WeakPolarHBondContact O-CG2 3.44Å |
| 81 | N | 77.7 | Confident | 88.9 | Confident | 110 Ų | 110 | 40.5 Ų | 40.5 | 59% | 0.588 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -58.4 | -23.4 | 179.7 | -64.3 | -6.9 | 0 | 0 | 0 | 114.7 | M79 F83 T84 | M79-N81 PolarHBondContact O-N 3.46Å; N81-F83 PolarHBondContact O-N 3.4Å; N81-T84 WeakPolarHBondContact O-CB 3.46Å; N81-T84 WeakPolarHBondContact O-CG2 3.26Å; N81-T84 PolarHBondContact O-N 2.97Å; N81-T84 PolarHBondContact O-OG1 3.4Å |
| 82 | G | 78.8 | Confident | 88.8 | Confident | 38 Ų | 38 | 42.8 Ų | 42.8 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -65.4 | -19.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | M79 N80 T84 | M79-G82 PolarHBondContact O-N 3.48Å; N80-G82 PolarHBondContact O-N 2.88Å; N80-G82 VanDerWaalsContact O-N 3.08Å; G82-T84 VanDerWaalsContact C-N 3.32Å |
| 83 | F | 88.1 | Confident | 88.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -81.8 | -9.4 | 178.4 | -164.7 | -102.5 | 0 | 0 | 0 | 113.7 | T49 L72 L75 A76 M79 N80 N81 V85 H86 S87 A90 I116 T119 | T49-F83 HydrophobicContact CG2-CE2 4.1Å; T49-F83 HydrophobicContact CG2-CZ 3.85Å; T49-F83 WeakPolarHBondContact OG1-CE2 3.48Å; L72-F83 HydrophobicContact CD1-CE2 4.5Å; L72-F83 HydrophobicContact CD1-CZ 3.89Å; L75-F83 HydrophobicContact CD2-CD2 4.43Å; L75-F83 HydrophobicContact CD2-CE2 3.7Å; L75-F83 HydrophobicContact CG-CD2 4.15Å; L75-F83 HydrophobicContact CG-CE2 3.86Å; A76-F83 HydrophobicContact CB-CD1 3.85Å; A76-F83 HydrophobicContact CB-CE1 4.09Å; A76-F83 HydrophobicContact CB-CG 4.14Å; M79-F83 HydrophobicContact CB-CB 3.99Å; M79-F83 HydrophobicContact SD-CD2 4.18Å; N80-F83 WeakPolarHBondContact O-CB 3.45Å; N80-F83 PolarHBondContact O-N 3.35Å; N81-F83 PolarHBondContact O-N 3.4Å; F83-V85 PolarHBondContact O-N 3.16Å; F83-V85 VanDerWaalsContact O-N 3.1Å; F83-H86 HydrophobicContact CD2-CB 4.44Å; F83-H86 HydrophobicContact CE1-CB 4.4Å; F83-H86 HydrophobicContact CE2-CB 4.06Å; F83-H86 HydrophobicContact CZ-CB 4.04Å; F83-H86 PolarHBondContact O-N 3.09Å; F83-S87 PolarHBondContact O-N 3.3Å; F83-S87 VanDerWaalsContact O-N 3.11Å; F83-A90 HydrophobicContact CE1-CB 4.08Å; F83-A90 HydrophobicContact CZ-CB 4.09Å; F83-I116 HydrophobicContact CE1-CG1 3.96Å; F83-I116 HydrophobicContact CE1-CG2 4.23Å; F83-T119 HydrophobicContact CB-CG2 4Å; F83-T119 HydrophobicContact CD1-CG2 4.48Å |
| 84 | T | 86.1 | Confident | 88.7 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 27% | 0.27 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -47.6 | -42.4 | -178.3 | 42.7 | 0 | 0 | 0 | 0 | 113.3 | N81 G82 H86 S87 T119 | N81-T84 WeakPolarHBondContact O-CB 3.46Å; N81-T84 WeakPolarHBondContact O-CG2 3.26Å; N81-T84 PolarHBondContact O-N 2.97Å; N81-T84 PolarHBondContact O-OG1 3.4Å; G82-T84 VanDerWaalsContact C-N 3.32Å; T84-H86 PolarHBondContact O-N 2.77Å; T84-H86 VanDerWaalsContact O-N 3.11Å; T84-S87 WeakPolarHBondContact O-CB 3.46Å; T84-S87 PolarHBondContact O-N 3.18Å; T84-S87 VanDerWaalsContact O-N 3.15Å; T84-S87 PolarHBondContact O-OG 3.49Å; T84-T119 WeakPolarHBondContact CG2-O 3.31Å |
| 85 | V | 83.9 | Confident | 88.7 | Confident | 108 Ų | 108 | 41.6 Ų | 41.6 | 66% | 0.655 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -61.9 | -20 | -178.9 | -169.4 | 0 | 0 | 0 | 0 | 113 | F83 | F83-V85 PolarHBondContact O-N 3.16Å; F83-V85 VanDerWaalsContact O-N 3.1Å |
| 86 | H | 88.3 | Confident | 88.5 | Confident | 31 Ų | 31 | 47 Ų | 47 | 14% | 0.144 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -112.9 | -8.2 | 179.6 | -52.1 | -38.6 | 0 | 0 | 0 | 113.7 | C45 G46 T49 F83 T84 E88 A90 | C45-H86 VanDerWaalsContact SG-CD2 3.58Å; G46-H86 WeakPolarHBondContact CA-NE2 3.39Å; G46-H86 PolarHBondContact N-NE2 3.48Å; T49-H86 HydrophobicContact CG2-CB 3.87Å; F83-H86 HydrophobicContact CD2-CB 4.44Å; F83-H86 HydrophobicContact CE1-CB 4.4Å; F83-H86 HydrophobicContact CE2-CB 4.06Å; F83-H86 HydrophobicContact CZ-CB 4.04Å; F83-H86 PolarHBondContact O-N 3.09Å; T84-H86 PolarHBondContact O-N 2.77Å; T84-H86 VanDerWaalsContact O-N 3.11Å; H86-E88 PolarHBondContact O-N 3.19Å; H86-A90 WeakPolarHBondContact O-CB 3.47Å; H86-A90 PolarHBondContact O-N 3.48Å; H86-A90 VanDerWaalsContact O-N 3.15Å |
| 87 | S | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | -170.1 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | F83 T84 R89 A90 L91 I116 M120 | F83-S87 PolarHBondContact O-N 3.3Å; F83-S87 VanDerWaalsContact O-N 3.11Å; T84-S87 WeakPolarHBondContact O-CB 3.46Å; T84-S87 PolarHBondContact O-N 3.18Å; T84-S87 VanDerWaalsContact O-N 3.15Å; T84-S87 PolarHBondContact O-OG 3.49Å; S87-R89 PolarHBondContact O-N 2.81Å; S87-A90 PolarHBondContact O-N 2.92Å; S87-L91 WeakPolarHBondContact O-CB 3.4Å; S87-L91 PolarHBondContact O-N 3.46Å; S87-I116 VanDerWaalsContact O-CG2 3.3Å; S87-I116 WeakPolarHBondContact O-CG2 3.45Å; S87-M120 VanDerWaalsContact CB-CG 3.48Å; S87-M120 WeakPolarHBondContact OG-CG 2.99Å |
| 88 | E | 91.9 | Very high | 88.6 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59 | -51.5 | -178.4 | 170.6 | 170.6 | -169.2 | 0 | 0 | 112.4 | H86 L91 T92 Q128 | H86-E88 PolarHBondContact O-N 3.19Å; E88-L91 PolarHBondContact O-N 3.42Å; E88-T92 WeakPolarHBondContact O-CB 3.46Å; E88-T92 PolarHBondContact O-N 3.26Å; E88-T92 PolarHBondContact O-OG1 3.1Å; E88-Q128 VanDerWaalsContact CD-NE2 3.27Å; E88-Q128 HydrophobicContact CG-CG 4.37Å; E88-Q128 PolarHBondContact OE1-NE2 3.04Å |
| 89 | R | 87.9 | Confident | 88.6 | Confident | 87 Ų | 87 | 47.4 Ų | 47.4 | 33% | 0.328 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | -179.2 | -176.9 | 160.1 | 62.6 | 103.3 | 0.2 | 110.9 | S87 T92 T93 | S87-R89 PolarHBondContact O-N 2.81Å; R89-T92 PolarHBondContact O-N 3.17Å; R89-T93 WeakPolarHBondContact O-CB 3.33Å; R89-T93 PolarHBondContact O-N 3.12Å; R89-T93 PolarHBondContact O-OG1 3.12Å; R89-T93 VanDerWaalsContact O-OG1 3.06Å |
| 90 | A | 94.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T49 L72 F83 H86 S87 T93 C94 I116 | T49-A90 HydrophobicContact CG2-CB 4.35Å; L72-A90 HydrophobicContact CD1-CB 4.41Å; L72-A90 HydrophobicContact CD2-CB 4.28Å; F83-A90 HydrophobicContact CE1-CB 4.08Å; F83-A90 HydrophobicContact CZ-CB 4.09Å; H86-A90 WeakPolarHBondContact O-CB 3.47Å; H86-A90 PolarHBondContact O-N 3.48Å; H86-A90 VanDerWaalsContact O-N 3.15Å; S87-A90 PolarHBondContact O-N 2.92Å; A90-T93 PolarHBondContact O-N 3.39Å; A90-C94 PolarHBondContact O-N 2.99Å; A90-C94 PolarHBondContact O-SG 3.36Å; A90-C94 VanDerWaalsContact O-SG 3.4Å; A90-I116 HydrophobicContact CB-CD1 3.74Å; A90-I116 HydrophobicContact CB-CG1 4.31Å; A90-I116 HydrophobicContact CB-CG2 4.44Å |
| 91 | L | 96.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 178.8 | -178.8 | 58 | 0 | 0 | 0 | 111.3 | S87 E88 T93 C94 L95 T113 I116 V117 M120 Q128 L147 | S87-L91 WeakPolarHBondContact O-CB 3.4Å; S87-L91 PolarHBondContact O-N 3.46Å; E88-L91 PolarHBondContact O-N 3.42Å; L91-T93 PolarHBondContact O-N 3.42Å; L91-C94 PolarHBondContact O-N 3.48Å; L91-L95 HydrophobicContact CD1-CD1 3.82Å; L91-L95 HydrophobicContact CD1-CG 4.02Å; L91-L95 HydrophobicContact CD2-CD1 4.41Å; L91-L95 HydrophobicContact CG-CD1 3.74Å; L91-L95 HydrophobicContact CG-CG 4.35Å; L91-L95 WeakPolarHBondContact O-CB 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 2.93Å; L91-T113 HydrophobicContact CD1-CG2 3.83Å; L91-I116 HydrophobicContact CB-CG2 3.89Å; L91-V117 HydrophobicContact CD1-CG2 3.8Å; L91-V117 HydrophobicContact CD2-CG2 3.72Å; L91-V117 HydrophobicContact CG-CG2 4.42Å; L91-M120 HydrophobicContact CD2-CE 4.14Å; L91-M120 HydrophobicContact CD2-SD 3.6Å; L91-Q128 HydrophobicContact CD2-CB 3.79Å; L91-Q128 HydrophobicContact CD2-CG 4.32Å; L91-L147 HydrophobicContact CD1-CD1 4.19Å |
| 92 | T | 93.2 | Very high | 88.6 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | E88 R89 C94 L95 L96 Q128 | E88-T92 WeakPolarHBondContact O-CB 3.46Å; E88-T92 PolarHBondContact O-N 3.26Å; E88-T92 PolarHBondContact O-OG1 3.1Å; R89-T92 PolarHBondContact O-N 3.17Å; T92-C94 PolarHBondContact O-N 3.32Å; T92-L95 PolarHBondContact O-N 2.79Å; T92-L96 HydrophobicContact CG2-CD1 3.94Å; T92-L96 HydrophobicContact CG2-CG 4.42Å; T92-L96 WeakPolarHBondContact O-CB 3.32Å; T92-L96 VanDerWaalsContact O-CG 3.31Å; T92-L96 WeakPolarHBondContact O-CG 3.29Å; T92-L96 PolarHBondContact O-N 3.41Å; T92-Q128 PolarHBondContact OG1-OE1 3.41Å; T92-Q128 VanDerWaalsContact OG1-OE1 3.09Å |
| 93 | T | 93.6 | Very high | 89 | Confident | 24 Ų | 24 | 52.9 Ų | 52.9 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 176 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | C53 I56 T57 R89 A90 L91 K97 | C53-T93 HydrophobicContact CB-CG2 4.05Å; I56-T93 HydrophobicContact CB-CG2 4.25Å; I56-T93 HydrophobicContact CG2-CG2 3.98Å; T57-T93 WeakPolarHBondContact OG1-CG2 3.29Å; R89-T93 WeakPolarHBondContact O-CB 3.33Å; R89-T93 PolarHBondContact O-N 3.12Å; R89-T93 PolarHBondContact O-OG1 3.12Å; R89-T93 VanDerWaalsContact O-OG1 3.06Å; A90-T93 PolarHBondContact O-N 3.39Å; L91-T93 PolarHBondContact O-N 3.42Å; T93-K97 PolarHBondContact O-N 3.35Å |
| 94 | C | 95.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 178.7 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | A90 L91 T92 L96 K97 F98 L109 T113 | A90-C94 PolarHBondContact O-N 2.99Å; A90-C94 PolarHBondContact O-SG 3.36Å; A90-C94 VanDerWaalsContact O-SG 3.4Å; L91-C94 PolarHBondContact O-N 3.48Å; T92-C94 PolarHBondContact O-N 3.32Å; C94-L96 PolarHBondContact O-N 3.4Å; C94-K97 WeakPolarHBondContact O-CB 3.48Å; C94-K97 PolarHBondContact O-N 2.77Å; C94-F98 WeakPolarHBondContact O-CD2 3.29Å; C94-L109 HydrophobicContact CB-CD2 4.18Å; C94-T113 HydrophobicContact CB-CG2 3.39Å |
| 95 | L | 94.2 | Very high | 89.4 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.7 | -41.2 | -178.9 | -77.1 | 172.1 | 0 | 0 | 0 | 112.6 | L91 T92 K97 F98 L129 A132 T140 L147 | L91-L95 HydrophobicContact CD1-CD1 3.82Å; L91-L95 HydrophobicContact CD1-CG 4.02Å; L91-L95 HydrophobicContact CD2-CD1 4.41Å; L91-L95 HydrophobicContact CG-CD1 3.74Å; L91-L95 HydrophobicContact CG-CG 4.35Å; L91-L95 WeakPolarHBondContact O-CB 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 2.93Å; T92-L95 PolarHBondContact O-N 2.79Å; L95-K97 PolarHBondContact O-N 2.86Å; L95-F98 HydrophobicContact CD2-CD2 4.41Å; L95-F98 HydrophobicContact CD2-CE2 4.27Å; L95-F98 PolarHBondContact O-N 2.86Å; L95-L129 HydrophobicContact CD1-CD2 4.32Å; L95-A132 HydrophobicContact CD1-CB 3.88Å; L95-A132 HydrophobicContact CD2-CB 4.48Å; L95-T140 WeakPolarHBondContact O-CG2 3.41Å; L95-T140 PolarHBondContact O-OG1 3.35Å; L95-L147 HydrophobicContact CD2-CD1 3.88Å |
| 96 | L | 88.3 | Confident | 89.7 | Confident | 113 Ų | 113 | 50.5 Ų | 50.5 | 59% | 0.592 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -67.4 | -25.4 | 175.4 | -68.6 | 175.1 | 0 | 0 | 0 | 112.4 | T92 C94 | T92-L96 HydrophobicContact CG2-CD1 3.94Å; T92-L96 HydrophobicContact CG2-CG 4.42Å; T92-L96 WeakPolarHBondContact O-CB 3.32Å; T92-L96 VanDerWaalsContact O-CG 3.31Å; T92-L96 WeakPolarHBondContact O-CG 3.29Å; T92-L96 PolarHBondContact O-N 3.41Å; C94-L96 PolarHBondContact O-N 3.4Å |
| 97 | K | 93 | Very high | 89.9 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -77.2 | -16.7 | -178.4 | -164.5 | 64.4 | 179.1 | -155.9 | 0 | 114 | I56 T57 T93 C94 L95 K99 T101 L109 | I56-K97 HydrophobicContact CG2-CB 4.12Å; I56-K97 HydrophobicContact CG2-CD 4.49Å; I56-K97 HydrophobicContact CG2-CG 3.93Å; I56-K97 VanDerWaalsContact O-CD 3.3Å; I56-K97 WeakPolarHBondContact O-CD 3.39Å; I56-K97 WeakPolarHBondContact O-CE 3.46Å; I56-K97 PolarHBondContact O-NZ 3.39Å; T57-K97 PolarHBondContact O-NZ 2.96Å; T93-K97 PolarHBondContact O-N 3.35Å; C94-K97 WeakPolarHBondContact O-CB 3.48Å; C94-K97 PolarHBondContact O-N 2.77Å; L95-K97 PolarHBondContact O-N 2.86Å; K97-K99 PolarHBondContact O-N 3.01Å; K97-T101 WeakPolarHBondContact O-CG2 3.48Å; K97-L109 HydrophobicContact CB-CD1 3.94Å; K97-L109 HydrophobicContact CB-CD2 4.34Å; K97-L109 HydrophobicContact CG-CD1 3.95Å; K97-L109 HydrophobicContact CG-CD2 4.48Å |
| 98 | F | 91.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -10.5 | 179 | -77.9 | -68.5 | 0 | 0 | 0 | 115.4 | C94 L95 D100 T101 L109 T113 K139 E143 | C94-F98 WeakPolarHBondContact O-CD2 3.29Å; L95-F98 HydrophobicContact CD2-CD2 4.41Å; L95-F98 HydrophobicContact CD2-CE2 4.27Å; L95-F98 PolarHBondContact O-N 2.86Å; F98-D100 PolarHBondContact O-N 3.27Å; F98-T101 PolarHBondContact O-OG1 3.18Å; F98-L109 HydrophobicContact CD1-CB 4.3Å; F98-L109 HydrophobicContact CD1-CD1 4.09Å; F98-L109 HydrophobicContact CE1-CB 3.54Å; F98-L109 HydrophobicContact CE1-CD1 4.17Å; F98-L109 HydrophobicContact CE2-CB 4.23Å; F98-L109 HydrophobicContact CG-CD1 4.45Å; F98-L109 HydrophobicContact CZ-CB 3.51Å; F98-T113 HydrophobicContact CE2-CG2 4.18Å; F98-K139 HydrophobicContact CB-CB 4.49Å; F98-K139 WeakPolarHBondContact O-CD 3.28Å; F98-E143 HydrophobicContact CD1-CG 3.76Å; F98-E143 HydrophobicContact CD2-CB 3.96Å; F98-E143 HydrophobicContact CD2-CG 3.97Å; F98-E143 HydrophobicContact CE1-CB 4.45Å; F98-E143 HydrophobicContact CE1-CG 3.63Å; F98-E143 HydrophobicContact CE2-CB 3.77Å; F98-E143 HydrophobicContact CE2-CG 3.86Å; F98-E143 HydrophobicContact CG-CB 4.39Å; F98-E143 HydrophobicContact CG-CG 3.92Å; F98-E143 HydrophobicContact CZ-CB 4.03Å; F98-E143 HydrophobicContact CZ-CG 3.68Å |
| 99 | K | 84 | Confident | 90.3 | Very high | 126 Ų | 126 | 51.2 Ų | 51.2 | 55% | 0.548 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 123.5 | 174.7 | -173.4 | 179 | 175.3 | -176.2 | 0 | 110.4 | K97 T101 V137 | K97-K99 PolarHBondContact O-N 3.01Å; K99-T101 VanDerWaalsContact C-N 3.28Å; K99-T101 PolarHBondContact O-N 2.9Å; K99-V137 HydrophobicContact CB-CG1 4.08Å; K99-V137 HydrophobicContact CD-CG2 4.28Å; K99-V137 HydrophobicContact CG-CG1 4.16Å; K99-V137 HydrophobicContact CG-CG2 4.43Å |
| 100 | D | 71.6 | Confident | 90.7 | Very high | 139 Ų | 139 | 51.1 Ų | 51.1 | 74% | 0.743 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 27.6 | 173.7 | -54.5 | -41 | 0 | 0 | 0 | 116.2 | F98 | F98-D100 PolarHBondContact O-N 3.27Š|
| 101 | T | 81.7 | Confident | 90.7 | Very high | 15 Ų | 15 | 54 Ų | 54 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | trans | -85.9 | 151.3 | -179.7 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | K97 F98 K99 L105 S106 L109 K139 | K97-T101 WeakPolarHBondContact O-CG2 3.48Å; F98-T101 PolarHBondContact O-OG1 3.18Å; K99-T101 VanDerWaalsContact C-N 3.28Å; K99-T101 PolarHBondContact O-N 2.9Å; T101-L105 HydrophobicContact CG2-CD2 3.65Å; T101-L105 HydrophobicContact CG2-CG 4.08Å; T101-S106 PolarHBondContact OG1-OG 3.02Å; T101-L109 HydrophobicContact CG2-CD1 4.34Å; T101-K139 PolarHBondContact O-NZ 2.97Å | ||
| 102 | K | 86.2 | Confident | 90.7 | Very high | 152 Ų | 152 | 54 Ų | 54 | 66% | 0.661 | 29% | 0.294 | S | S | * | . | trans | -75 | 157 | 170 | -62.3 | -178.9 | -178.5 | 177.9 | 0 | 111 | S104 L105 S106 | K102-S104 PolarHBondContact O-N 3.22Å; K102-L105 PolarHBondContact O-N 2.89Å; K102-L105 VanDerWaalsContact O-N 3.11Å; K102-S106 PolarHBondContact O-N 3.45Å; K102-S106 PolarHBondContact O-OG 3.43Å | ||
| 103 | A | 88 | Confident | 90.9 | Very high | 85 Ų | 85 | 51.7 Ų | 51.7 | 70% | 0.702 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -53.7 | -46.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | L105 S106 L107 | A103-L105 VanDerWaalsContact C-N 3.33Å; A103-L105 PolarHBondContact O-N 3.36Å; A103-S106 PolarHBondContact O-N 3.45Å; A103-L107 PolarHBondContact O-N 3.41Å |
| 104 | S | 89.6 | Confident | 91 | Very high | 70 Ų | 70 | 52.2 Ų | 52.2 | 49% | 0.49 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 178.8 | 54 | 0 | 0 | 0 | 0 | 113.6 | K102 A108 | K102-S104 PolarHBondContact O-N 3.22Å; S104-A108 PolarHBondContact O-N 3.44Å |
| 105 | L | 92.5 | Very high | 90.9 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.1 | -39.3 | 174.6 | 176.5 | 57.9 | 0 | 0 | 0 | 111.9 | V65 I66 T101 K102 A103 L107 A108 L109 | V65-L105 HydrophobicContact CB-CD1 4.25Å; V65-L105 HydrophobicContact CG1-CD1 3.56Å; V65-L105 HydrophobicContact CG1-CD2 4.07Å; V65-L105 HydrophobicContact CG1-CG 4.5Å; I66-L105 HydrophobicContact CD1-CB 4.33Å; I66-L105 HydrophobicContact CG1-CB 3.88Å; I66-L105 HydrophobicContact CG1-CD1 3.84Å; I66-L105 HydrophobicContact CG1-CG 4.44Å; T101-L105 HydrophobicContact CG2-CD2 3.65Å; T101-L105 HydrophobicContact CG2-CG 4.08Å; K102-L105 PolarHBondContact O-N 2.89Å; K102-L105 VanDerWaalsContact O-N 3.11Å; A103-L105 VanDerWaalsContact C-N 3.33Å; A103-L105 PolarHBondContact O-N 3.36Å; L105-L107 VanDerWaalsContact C-N 3.27Å; L105-L107 PolarHBondContact O-N 3.45Å; L105-A108 PolarHBondContact O-N 2.91Å; L105-L109 HydrophobicContact CD1-CD1 4.14Å; L105-L109 HydrophobicContact CD1-CG 3.99Å; L105-L109 HydrophobicContact CG-CD1 4.05Å; L105-L109 HydrophobicContact CG-CG 4.37Å; L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 WeakPolarHBondContact O-CG 3.27Å; L105-L109 PolarHBondContact O-N 3.2Å |
| 106 | S | 91.8 | Very high | 91 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 12% | 0.119 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 174.1 | -62.1 | 0 | 0 | 0 | 0 | 112 | T101 K102 A103 R110 | T101-S106 PolarHBondContact OG1-OG 3.02Å; K102-S106 PolarHBondContact O-N 3.45Å; K102-S106 PolarHBondContact O-OG 3.43Å; A103-S106 PolarHBondContact O-N 3.45Å; S106-R110 VanDerWaalsContact O-CB 3.31Å; S106-R110 WeakPolarHBondContact O-CB 3.32Å; S106-R110 PolarHBondContact O-N 2.9Å |
| 107 | L | 91.9 | Very high | 91.3 | Very high | 108 Ų | 108 | 46.9 Ų | 46.9 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.8 | -46.5 | 176.6 | -173.1 | 67.6 | 0 | 0 | 0 | 111.7 | A103 L105 R110 S111 | A103-L107 PolarHBondContact O-N 3.41Å; L105-L107 VanDerWaalsContact C-N 3.27Å; L105-L107 PolarHBondContact O-N 3.45Å; L107-R110 PolarHBondContact O-N 3.21Å; L107-S111 PolarHBondContact O-N 3.34Å |
| 108 | A | 94.2 | Very high | 91.2 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I66 A69 S104 L105 R110 S111 A112 | I66-A108 HydrophobicContact CG2-CB 4Å; A69-A108 HydrophobicContact CB-CB 4.05Å; S104-A108 PolarHBondContact O-N 3.44Å; L105-A108 PolarHBondContact O-N 2.91Å; A108-R110 VanDerWaalsContact C-N 3.33Å; A108-R110 PolarHBondContact O-N 3.29Å; A108-S111 PolarHBondContact O-N 3.26Å; A108-A112 PolarHBondContact O-N 3.4Å; A108-A112 VanDerWaalsContact O-N 3.08Å |
| 109 | L | 96.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 174.8 | -72.9 | 173.1 | 0 | 0 | 0 | 111.7 | I56 A69 C94 K97 F98 T101 L105 A112 T113 | I56-L109 HydrophobicContact CG2-CD2 4.16Å; A69-L109 HydrophobicContact CB-CD2 4.06Å; C94-L109 HydrophobicContact CB-CD2 4.18Å; K97-L109 HydrophobicContact CB-CD1 3.94Å; K97-L109 HydrophobicContact CB-CD2 4.34Å; K97-L109 HydrophobicContact CG-CD1 3.95Å; K97-L109 HydrophobicContact CG-CD2 4.48Å; F98-L109 HydrophobicContact CD1-CB 4.3Å; F98-L109 HydrophobicContact CD1-CD1 4.09Å; F98-L109 HydrophobicContact CE1-CB 3.54Å; F98-L109 HydrophobicContact CE1-CD1 4.17Å; F98-L109 HydrophobicContact CE2-CB 4.23Å; F98-L109 HydrophobicContact CG-CD1 4.45Å; F98-L109 HydrophobicContact CZ-CB 3.51Å; T101-L109 HydrophobicContact CG2-CD1 4.34Å; L105-L109 HydrophobicContact CD1-CD1 4.14Å; L105-L109 HydrophobicContact CD1-CG 3.99Å; L105-L109 HydrophobicContact CG-CD1 4.05Å; L105-L109 HydrophobicContact CG-CG 4.37Å; L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 WeakPolarHBondContact O-CG 3.27Å; L105-L109 PolarHBondContact O-N 3.2Å; L109-A112 PolarHBondContact O-N 3.22Å; L109-T113 WeakPolarHBondContact O-CG2 3.39Å; L109-T113 PolarHBondContact O-N 3.29Å; L109-T113 PolarHBondContact O-OG1 3.47Å; L109-T113 VanDerWaalsContact O-OG1 3.1Å |
| 110 | R | 95.3 | Very high | 91.4 | Very high | 85 Ų | 85 | 42 Ų | 42 | 32% | 0.321 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.1 | -48.3 | 177.4 | -171.8 | -179.3 | -61.5 | 136.3 | 1.9 | 111 | S106 L107 A108 A112 T113 T114 E143 | S106-R110 VanDerWaalsContact O-CB 3.31Å; S106-R110 WeakPolarHBondContact O-CB 3.32Å; S106-R110 PolarHBondContact O-N 2.9Å; L107-R110 PolarHBondContact O-N 3.21Å; A108-R110 VanDerWaalsContact C-N 3.33Å; A108-R110 PolarHBondContact O-N 3.29Å; R110-A112 VanDerWaalsContact C-N 3.3Å; R110-A112 PolarHBondContact O-N 3.45Å; R110-T113 WeakPolarHBondContact CA-OG1 3.47Å; R110-T113 PolarHBondContact O-N 3.37Å; R110-T113 PolarHBondContact O-OG1 2.97Å; R110-T114 WeakPolarHBondContact O-CB 3.35Å; R110-T114 PolarHBondContact O-N 3.29Å; R110-T114 PolarHBondContact O-OG1 3.4Å; R110-E143 IonicContact CZ-OE1 3.01Å; R110-E143 IonicContact CZ-OE2 2.62Å; R110-E143 IonicContact NE-OE1 3.76Å; R110-E143 PolarHBondContact NE-OE1 3.47Å; R110-E143 IonicContact NE-OE2 3.65Å; R110-E143 PolarHBondContact NE-OE2 2.94Å; R110-E143 IonicContact NH2-OE1 3.59Å; R110-E143 PolarHBondContact NH2-OE1 3.18Å; R110-E143 IonicContact NH2-OE2 2.67Å |
| 111 | S | 95.2 | Very high | 92.1 | Very high | 60 Ų | 60 | 38.7 Ų | 38.7 | 42% | 0.42 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -54.4 | -47.3 | 174.9 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | S73 L107 A108 T114 A115 | S73-S111 PolarHBondContact OG-O 3.47Å; S73-S111 PolarHBondContact OG-OG 3.09Å; S73-S111 VanDerWaalsContact OG-OG 3.05Å; L107-S111 PolarHBondContact O-N 3.34Å; A108-S111 PolarHBondContact O-N 3.26Å; S111-T114 PolarHBondContact O-N 2.98Å; S111-A115 WeakPolarHBondContact O-CB 3.28Å; S111-A115 PolarHBondContact O-N 3.29Å |
| 112 | A | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -50.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A69 A108 L109 R110 T114 A115 I116 | A69-A112 HydrophobicContact CB-CB 4.46Å; A69-A112 WeakPolarHBondContact O-CB 3.35Å; A108-A112 PolarHBondContact O-N 3.4Å; A108-A112 VanDerWaalsContact O-N 3.08Å; L109-A112 PolarHBondContact O-N 3.22Å; R110-A112 VanDerWaalsContact C-N 3.3Å; R110-A112 PolarHBondContact O-N 3.45Å; A112-T114 VanDerWaalsContact C-N 3.32Å; A112-T114 PolarHBondContact O-N 2.96Å; A112-A115 PolarHBondContact O-N 2.92Å; A112-I116 WeakPolarHBondContact O-CB 3.3Å; A112-I116 WeakPolarHBondContact O-CD1 3.48Å; A112-I116 WeakPolarHBondContact O-CG1 3.46Å; A112-I116 PolarHBondContact O-N 3.42Å |
| 113 | T | 97.2 | Very high | 92 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -37.4 | -179 | 50.2 | 0 | 0 | 0 | 0 | 112.9 | L91 C94 F98 L109 R110 I116 V117 L147 | L91-T113 HydrophobicContact CD1-CG2 3.83Å; C94-T113 HydrophobicContact CB-CG2 3.39Å; F98-T113 HydrophobicContact CE2-CG2 4.18Å; L109-T113 WeakPolarHBondContact O-CG2 3.39Å; L109-T113 PolarHBondContact O-N 3.29Å; L109-T113 PolarHBondContact O-OG1 3.47Å; L109-T113 VanDerWaalsContact O-OG1 3.1Å; R110-T113 WeakPolarHBondContact CA-OG1 3.47Å; R110-T113 PolarHBondContact O-N 3.37Å; R110-T113 PolarHBondContact O-OG1 2.97Å; T113-I116 PolarHBondContact O-N 3.42Å; T113-V117 WeakPolarHBondContact O-CB 3.44Å; T113-V117 VanDerWaalsContact O-CG2 3.29Å; T113-V117 WeakPolarHBondContact O-CG2 3.27Å; T113-V117 PolarHBondContact O-N 3.29Å; T113-L147 HydrophobicContact CG2-CD1 4.36Å |
| 114 | T | 95.1 | Very high | 91.8 | Very high | 35 Ų | 35 | 36 Ų | 36 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.8 | -49.8 | 175.6 | -60.3 | 0 | 0 | 0 | 0 | 110.3 | R110 S111 A112 I116 V117 D118 H150 | R110-T114 WeakPolarHBondContact O-CB 3.35Å; R110-T114 PolarHBondContact O-N 3.29Å; R110-T114 PolarHBondContact O-OG1 3.4Å; S111-T114 PolarHBondContact O-N 2.98Å; A112-T114 VanDerWaalsContact C-N 3.32Å; A112-T114 PolarHBondContact O-N 2.96Å; T114-I116 VanDerWaalsContact C-N 3.32Å; T114-I116 PolarHBondContact O-N 3.36Å; T114-V117 PolarHBondContact O-N 3.2Å; T114-D118 WeakPolarHBondContact O-CB 3.33Å; T114-D118 PolarHBondContact O-N 2.78Å; T114-H150 VanDerWaalsContact CG2-CE1 3.44Å; T114-H150 WeakPolarHBondContact CG2-CE1 3.19Å; T114-H150 WeakPolarHBondContact CG2-NE2 3.41Å |
| 115 | A | 94.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A76 Q77 S111 A112 D118 T119 | A76-A115 HydrophobicContact CB-CB 4.04Å; Q77-A115 HydrophobicContact CG-CB 3.9Å; S111-A115 WeakPolarHBondContact O-CB 3.28Å; S111-A115 PolarHBondContact O-N 3.29Å; A112-A115 PolarHBondContact O-N 2.92Å; A115-D118 WeakPolarHBondContact O-CB 3.35Å; A115-D118 PolarHBondContact O-N 3.47Å; A115-T119 WeakPolarHBondContact O-CG2 3.49Å |
| 116 | I | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.2 | -51.3 | 179 | -66 | 159.7 | 0 | 0 | 0 | 110.9 | L72 A76 F83 S87 A90 L91 A112 T113 T114 D118 T119 M120 | L72-I116 HydrophobicContact CD2-CD1 3.98Å; L72-I116 HydrophobicContact CG-CD1 4.19Å; A76-I116 HydrophobicContact CB-CG1 4.19Å; F83-I116 HydrophobicContact CE1-CG1 3.96Å; F83-I116 HydrophobicContact CE1-CG2 4.23Å; S87-I116 VanDerWaalsContact O-CG2 3.3Å; S87-I116 WeakPolarHBondContact O-CG2 3.45Å; A90-I116 HydrophobicContact CB-CD1 3.74Å; A90-I116 HydrophobicContact CB-CG1 4.31Å; A90-I116 HydrophobicContact CB-CG2 4.44Å; L91-I116 HydrophobicContact CB-CG2 3.89Å; A112-I116 WeakPolarHBondContact O-CB 3.3Å; A112-I116 WeakPolarHBondContact O-CD1 3.48Å; A112-I116 WeakPolarHBondContact O-CG1 3.46Å; A112-I116 PolarHBondContact O-N 3.42Å; T113-I116 PolarHBondContact O-N 3.42Å; T114-I116 VanDerWaalsContact C-N 3.32Å; T114-I116 PolarHBondContact O-N 3.36Å; I116-D118 PolarHBondContact O-N 2.84Å; I116-D118 VanDerWaalsContact O-N 3.15Å; I116-T119 WeakPolarHBondContact O-CB 3.13Å; I116-T119 PolarHBondContact O-N 3.43Å; I116-T119 PolarHBondContact O-OG1 2.78Å; I116-M120 HydrophobicContact CG2-SD 4.33Å |
| 117 | V | 93.5 | Very high | 91.3 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.4 | -30.1 | 176.6 | 166.1 | 0 | 0 | 0 | 0 | 110.5 | L91 T113 T114 T119 M120 A125 L147 I151 | L91-V117 HydrophobicContact CD1-CG2 3.8Å; L91-V117 HydrophobicContact CD2-CG2 3.72Å; L91-V117 HydrophobicContact CG-CG2 4.42Å; T113-V117 WeakPolarHBondContact O-CB 3.44Å; T113-V117 VanDerWaalsContact O-CG2 3.29Å; T113-V117 WeakPolarHBondContact O-CG2 3.27Å; T113-V117 PolarHBondContact O-N 3.29Å; T114-V117 PolarHBondContact O-N 3.2Å; V117-T119 PolarHBondContact O-N 3.47Å; V117-M120 HydrophobicContact CG2-SD 4.44Å; V117-M120 PolarHBondContact O-N 3.08Å; V117-A125 HydrophobicContact CG1-CB 4.31Å; V117-L147 HydrophobicContact CB-CD2 4.48Å; V117-L147 HydrophobicContact CG2-CD1 4.42Å; V117-L147 HydrophobicContact CG2-CD2 4.12Å; V117-I151 HydrophobicContact CG1-CD1 3.57Å; V117-I151 HydrophobicContact CG1-CG1 3.44Å; V117-I151 VanDerWaalsContact CG1-CG1 3.44Å |
| 118 | D | 91 | Very high | 91.1 | Very high | 53 Ų | 53 | 31.9 Ų | 31.9 | 28% | 0.283 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.7 | -21.7 | 178.6 | -73.3 | -19.5 | 0 | 0 | 0 | 114.9 | T114 A115 I116 H150 K154 | T114-D118 WeakPolarHBondContact O-CB 3.33Å; T114-D118 PolarHBondContact O-N 2.78Å; A115-D118 WeakPolarHBondContact O-CB 3.35Å; A115-D118 PolarHBondContact O-N 3.47Å; I116-D118 PolarHBondContact O-N 2.84Å; I116-D118 VanDerWaalsContact O-N 3.15Å; D118-H150 IonicContact OD1-CD2 2.88Å; D118-H150 IonicContact OD1-CE1 2.95Å; D118-H150 IonicContact OD1-NE2 3.83Å; D118-H150 PolarHBondContact OD1-NE2 3.41Å; D118-H150 IonicContact OD2-NE2 2.98Å; D118-H150 PolarHBondContact OD2-NE2 3.32Å; D118-K154 PolarHBondContact O-NZ 2.96Å; D118-K154 WeakPolarHBondContact OD1-CE 2.96Å; D118-K154 IonicContact OD1-NZ 3.99Å; D118-K154 PolarHBondContact OD1-NZ 2.87Å |
| 119 | T | 90.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -87.6 | -14.5 | 175 | 72.1 | 0 | 0 | 0 | 0 | 112.5 | A76 N80 F83 T84 A115 I116 V117 | A76-T119 HydrophobicContact CB-CG2 4.35Å; N80-T119 VanDerWaalsContact O-CB 3.3Å; N80-T119 WeakPolarHBondContact O-CB 3.14Å; N80-T119 WeakPolarHBondContact O-CG2 3.44Å; F83-T119 HydrophobicContact CB-CG2 4Å; F83-T119 HydrophobicContact CD1-CG2 4.48Å; T84-T119 WeakPolarHBondContact CG2-O 3.31Å; A115-T119 WeakPolarHBondContact O-CG2 3.49Å; I116-T119 WeakPolarHBondContact O-CB 3.13Å; I116-T119 PolarHBondContact O-N 3.43Å; I116-T119 PolarHBondContact O-OG1 2.78Å; V117-T119 PolarHBondContact O-N 3.47Å |
| 120 | M | 90.4 | Very high | 90.7 | Very high | 20 Ų | 20 | 35.3 Ų | 35.3 | 10% | 0.099 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -88.6 | 153.1 | -172.8 | -62.3 | 176.2 | 79.6 | 0 | 0 | 112.7 | S87 L91 I116 V117 L124 A125 Q128 | S87-M120 VanDerWaalsContact CB-CG 3.48Å; S87-M120 WeakPolarHBondContact OG-CG 2.99Å; L91-M120 HydrophobicContact CD2-CE 4.14Å; L91-M120 HydrophobicContact CD2-SD 3.6Å; I116-M120 HydrophobicContact CG2-SD 4.33Å; V117-M120 HydrophobicContact CG2-SD 4.44Å; V117-M120 PolarHBondContact O-N 3.08Å; M120-L124 HydrophobicContact CE-CB 4.12Å; M120-L124 HydrophobicContact CE-CD2 3.64Å; M120-L124 HydrophobicContact CE-CG 3.47Å; M120-L124 VanDerWaalsContact CE-CG 3.47Å; M120-A125 HydrophobicContact CB-CB 4.1Å; M120-A125 HydrophobicContact SD-CB 4.39Å; M120-Q128 HydrophobicContact CE-CG 4.15Å |
| 121 | S | 85.5 | Confident | 90.3 | Very high | 68 Ų | 68 | 35 Ų | 35 | 48% | 0.476 | 20% | 0.2 | S | C | . | . | trans | -68 | 157 | 162.6 | 67.3 | 0 | 0 | 0 | 0 | 110.8 | D123 L124 A125 | S121-D123 VanDerWaalsContact C-N 3.33Å; S121-D123 PolarHBondContact O-N 2.59Å; S121-L124 PolarHBondContact O-N 3.05Å; S121-L124 WeakPolarHBondContact OG-CB 3.32Å; S121-L124 PolarHBondContact OG-N 3.43Å; S121-A125 WeakPolarHBondContact O-CB 3.4Å; S121-A125 PolarHBondContact O-N 3.28Å | ||
| 122 | F | 83.3 | Confident | 90 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.5 | -47.3 | 179.1 | 177.4 | -102 | 0 | 0 | 0 | 112.2 | A125 L126 I151 F152 L157 I169 | F122-A125 PolarHBondContact O-N 3.15Å; F122-L126 HydrophobicContact CE1-CD2 4.01Å; F122-L126 HydrophobicContact CZ-CD2 4.21Å; F122-L126 VanDerWaalsContact O-CB 3.3Å; F122-L126 WeakPolarHBondContact O-CB 3.39Å; F122-L126 PolarHBondContact O-N 3.24Å; F122-I151 HydrophobicContact CD2-CG2 3.51Å; F122-I151 HydrophobicContact CE2-CG2 3.79Å; F122-F152 HydrophobicContact CE2-CE1 4.21Å; F122-F152 HydrophobicContact CZ-CE1 4.4Å; F122-L157 HydrophobicContact CB-CD1 3.73Å; F122-L157 HydrophobicContact CD2-CD1 4.02Å; F122-L157 HydrophobicContact CD2-CD2 3.59Å; F122-L157 HydrophobicContact CD2-CG 4.46Å; F122-L157 HydrophobicContact CE2-CD2 3.95Å; F122-L157 HydrophobicContact CG-CD1 4.01Å; F122-L157 HydrophobicContact CG-CD2 4.36Å; F122-I169 HydrophobicContact CE1-CD1 4.25Å; F122-I169 HydrophobicContact CE1-CG2 3.75Å; F122-I169 HydrophobicContact CZ-CG2 3.67Å |
| 123 | D | 83.4 | Confident | 89.9 | Confident | 114 Ų | 114 | 33.5 Ų | 33.5 | 61% | 0.61 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -65.6 | -44.3 | -176.6 | -59.6 | -60.9 | 0 | 0 | 0 | 112 | S121 A125 L126 V127 | S121-D123 VanDerWaalsContact C-N 3.33Å; S121-D123 PolarHBondContact O-N 2.59Å; D123-A125 PolarHBondContact O-N 2.95Å; D123-L126 PolarHBondContact O-N 3.37Å; D123-V127 WeakPolarHBondContact O-CG2 3.48Å; D123-V127 PolarHBondContact O-N 3.12Å |
| 124 | L | 82.5 | Confident | 89.4 | Confident | 57 Ų | 57 | 38.4 Ų | 38.4 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -43 | 179 | -172 | 67.7 | 0 | 0 | 0 | 111.2 | M120 S121 L126 Q128 | M120-L124 HydrophobicContact CE-CB 4.12Å; M120-L124 HydrophobicContact CE-CD2 3.64Å; M120-L124 HydrophobicContact CE-CG 3.47Å; M120-L124 VanDerWaalsContact CE-CG 3.47Å; S121-L124 PolarHBondContact O-N 3.05Å; S121-L124 WeakPolarHBondContact OG-CB 3.32Å; S121-L124 PolarHBondContact OG-N 3.43Å; L124-L126 VanDerWaalsContact C-N 3.35Å; L124-Q128 WeakPolarHBondContact O-CG 3.36Å; L124-Q128 PolarHBondContact O-N 2.88Å |
| 125 | A | 89.5 | Confident | 89 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | V117 M120 S121 F122 D123 V127 Q128 L129 I151 | V117-A125 HydrophobicContact CG1-CB 4.31Å; M120-A125 HydrophobicContact CB-CB 4.1Å; M120-A125 HydrophobicContact SD-CB 4.39Å; S121-A125 WeakPolarHBondContact O-CB 3.4Å; S121-A125 PolarHBondContact O-N 3.28Å; F122-A125 PolarHBondContact O-N 3.15Å; D123-A125 PolarHBondContact O-N 2.95Å; A125-V127 VanDerWaalsContact C-N 3.35Å; A125-V127 PolarHBondContact O-N 3.24Å; A125-Q128 PolarHBondContact O-N 3.16Å; A125-L129 VanDerWaalsContact O-CG 3.26Å; A125-L129 WeakPolarHBondContact O-CG 3.48Å; A125-L129 PolarHBondContact O-N 2.9Å; A125-I151 HydrophobicContact CB-CD1 3.78Å |
| 126 | L | 89.2 | Confident | 88.6 | Confident | 26 Ų | 26 | 44 Ų | 44 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.2 | -41.7 | -177.8 | -174.3 | 62.2 | 0 | 0 | 0 | 112.3 | F122 D123 L124 L129 Q130 L148 L173 | F122-L126 HydrophobicContact CE1-CD2 4.01Å; F122-L126 HydrophobicContact CZ-CD2 4.21Å; F122-L126 VanDerWaalsContact O-CB 3.3Å; F122-L126 WeakPolarHBondContact O-CB 3.39Å; F122-L126 PolarHBondContact O-N 3.24Å; D123-L126 PolarHBondContact O-N 3.37Å; L124-L126 VanDerWaalsContact C-N 3.35Å; L126-L129 PolarHBondContact O-N 3.43Å; L126-Q130 HydrophobicContact CD1-CG 4.44Å; L126-Q130 WeakPolarHBondContact O-CB 3.14Å; L126-Q130 VanDerWaalsContact O-CG 3.31Å; L126-Q130 WeakPolarHBondContact O-CG 3.43Å; L126-Q130 PolarHBondContact O-N 2.96Å; L126-L148 HydrophobicContact CD1-CD1 3.86Å; L126-L173 HydrophobicContact CD1-CD1 3.82Å |
| 127 | V | 85.7 | Confident | 88.2 | Confident | 79 Ų | 79 | 45.7 Ų | 45.7 | 48% | 0.479 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.5 | -50.2 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | D123 A125 L129 Q130 T131 | D123-V127 WeakPolarHBondContact O-CG2 3.48Å; D123-V127 PolarHBondContact O-N 3.12Å; A125-V127 VanDerWaalsContact C-N 3.35Å; A125-V127 PolarHBondContact O-N 3.24Å; V127-L129 VanDerWaalsContact C-N 3.33Å; V127-L129 PolarHBondContact O-N 3.37Å; V127-Q130 PolarHBondContact O-N 3.44Å; V127-T131 PolarHBondContact O-N 2.93Å; V127-T131 VanDerWaalsContact O-N 3.1Å; V127-T131 PolarHBondContact O-OG1 3.12Å |
| 128 | Q | 88 | Confident | 88.1 | Confident | 18 Ų | 18 | 47 Ų | 47 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.2 | -38.2 | -178.7 | -59.5 | -54.5 | -39.1 | 0 | 0 | 112.3 | E88 L91 T92 M120 L124 A125 T131 A132 | E88-Q128 VanDerWaalsContact CD-NE2 3.27Å; E88-Q128 HydrophobicContact CG-CG 4.37Å; E88-Q128 PolarHBondContact OE1-NE2 3.04Å; L91-Q128 HydrophobicContact CD2-CB 3.79Å; L91-Q128 HydrophobicContact CD2-CG 4.32Å; T92-Q128 PolarHBondContact OG1-OE1 3.41Å; T92-Q128 VanDerWaalsContact OG1-OE1 3.09Å; M120-Q128 HydrophobicContact CE-CG 4.15Å; L124-Q128 WeakPolarHBondContact O-CG 3.36Å; L124-Q128 PolarHBondContact O-N 2.88Å; A125-Q128 PolarHBondContact O-N 3.16Å; Q128-T131 PolarHBondContact O-N 3.48Å; Q128-A132 PolarHBondContact O-N 3.3Å; Q128-A132 VanDerWaalsContact O-N 3.08Å |
| 129 | L | 93.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69 | -38 | 177 | -65.6 | 178.3 | 0 | 0 | 0 | 112.2 | L95 A125 L126 V127 T131 A132 L133 A144 L147 L148 I151 | L95-L129 HydrophobicContact CD1-CD2 4.32Å; A125-L129 VanDerWaalsContact O-CG 3.26Å; A125-L129 WeakPolarHBondContact O-CG 3.48Å; A125-L129 PolarHBondContact O-N 2.9Å; L126-L129 PolarHBondContact O-N 3.43Å; V127-L129 VanDerWaalsContact C-N 3.33Å; V127-L129 PolarHBondContact O-N 3.37Å; L129-T131 VanDerWaalsContact C-N 3.35Å; L129-A132 PolarHBondContact O-N 2.65Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3.36Å; L129-A144 HydrophobicContact CD2-CB 4.2Å; L129-L147 HydrophobicContact CD1-CB 4.12Å; L129-L147 HydrophobicContact CD2-CB 3.68Å; L129-L147 HydrophobicContact CD2-CD1 3.79Å; L129-L147 HydrophobicContact CD2-CG 4.41Å; L129-L148 HydrophobicContact CD1-CB 4.15Å; L129-L148 HydrophobicContact CD1-CD1 4.13Å; L129-I151 HydrophobicContact CD1-CD1 3.53Å |
| 130 | Q | 88.8 | Confident | 88.3 | Confident | 87 Ų | 87 | 49 Ų | 49 | 41% | 0.407 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 175.4 | -75.8 | 179.5 | -2 | 0 | 0 | 112.1 | L126 V127 A132 L133 S134 | L126-Q130 HydrophobicContact CD1-CG 4.44Å; L126-Q130 WeakPolarHBondContact O-CB 3.14Å; L126-Q130 VanDerWaalsContact O-CG 3.31Å; L126-Q130 WeakPolarHBondContact O-CG 3.43Å; L126-Q130 PolarHBondContact O-N 2.96Å; V127-Q130 PolarHBondContact O-N 3.44Å; Q130-A132 VanDerWaalsContact C-N 3.34Å; Q130-A132 PolarHBondContact O-N 2.86Å; Q130-L133 PolarHBondContact O-N 3.48Å; Q130-S134 PolarHBondContact O-N 3.29Å; Q130-S134 VanDerWaalsContact O-N 3.16Å; Q130-S134 PolarHBondContact O-OG 3.09Å |
| 131 | T | 85.2 | Confident | 88.5 | Confident | 80 Ų | 80 | 49 Ų | 49 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 173 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | V127 Q128 L129 L133 S134 | V127-T131 PolarHBondContact O-N 2.93Å; V127-T131 VanDerWaalsContact O-N 3.1Å; V127-T131 PolarHBondContact O-OG1 3.12Å; Q128-T131 PolarHBondContact O-N 3.48Å; L129-T131 VanDerWaalsContact C-N 3.35Å; T131-L133 PolarHBondContact O-N 3.36Å; T131-S134 WeakPolarHBondContact O-CB 3.3Å; T131-S134 PolarHBondContact O-N 2.9Å |
| 132 | A | 90.3 | Very high | 89 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L95 Q128 L129 Q130 S134 T135 T140 A144 | L95-A132 HydrophobicContact CD1-CB 3.88Å; L95-A132 HydrophobicContact CD2-CB 4.48Å; Q128-A132 PolarHBondContact O-N 3.3Å; Q128-A132 VanDerWaalsContact O-N 3.08Å; L129-A132 PolarHBondContact O-N 2.65Å; Q130-A132 VanDerWaalsContact C-N 3.34Å; Q130-A132 PolarHBondContact O-N 2.86Å; A132-S134 PolarHBondContact O-N 3.41Å; A132-T135 WeakPolarHBondContact O-CB 3.26Å; A132-T135 WeakPolarHBondContact O-CG2 3.39Å; A132-T135 PolarHBondContact O-N 2.9Å; A132-T135 PolarHBondContact O-OG1 2.98Å; A132-T140 HydrophobicContact CB-CG2 4.14Å; A132-A144 HydrophobicContact CB-CB 3.8Å |
| 133 | L | 93.3 | Very high | 89.5 | Confident | 20 Ų | 20 | 45 Ų | 45 | 11% | 0.105 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.7 | -26.8 | 175.4 | -71.6 | 172 | 0 | 0 | 0 | 113 | L129 Q130 T131 T135 Q141 A144 L145 F180 | L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3.36Å; Q130-L133 PolarHBondContact O-N 3.48Å; T131-L133 PolarHBondContact O-N 3.36Å; L133-T135 VanDerWaalsContact C-N 3.27Å; L133-T135 PolarHBondContact O-N 3.14Å; L133-Q141 PolarHBondContact O-NE2 2.97Å; L133-Q141 VanDerWaalsContact O-NE2 3.08Å; L133-A144 HydrophobicContact CD2-CB 3.92Å; L133-A144 HydrophobicContact CG-CB 4.04Å; L133-L145 HydrophobicContact CD1-CD2 4.46Å; L133-L145 HydrophobicContact CD2-CD2 3.63Å; L133-L145 HydrophobicContact CD2-CG 3.61Å; L133-F180 HydrophobicContact CB-CZ 4.4Å; L133-F180 HydrophobicContact CD2-CE2 4.21Å; L133-F180 HydrophobicContact CD2-CZ 4.2Å |
| 134 | S | 88.5 | Confident | 90.1 | Very high | 104 Ų | 104 | 39.6 Ų | 39.6 | 73% | 0.727 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10.9 | 178.3 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | Q130 T131 A132 | Q130-S134 PolarHBondContact O-N 3.29Å; Q130-S134 VanDerWaalsContact O-N 3.16Å; Q130-S134 PolarHBondContact O-OG 3.09Å; T131-S134 WeakPolarHBondContact O-CB 3.3Å; T131-S134 PolarHBondContact O-N 2.9Å; A132-S134 PolarHBondContact O-N 3.41Å |
| 135 | T | 86.4 | Confident | 90.9 | Very high | 28 Ų | 28 | 36.9 Ų | 36.9 | 17% | 0.172 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -72.5 | 147.3 | 175.6 | 70.8 | 0 | 0 | 0 | 0 | 111.5 | A132 L133 V137 Q141 | A132-T135 WeakPolarHBondContact O-CB 3.26Å; A132-T135 WeakPolarHBondContact O-CG2 3.39Å; A132-T135 PolarHBondContact O-N 2.9Å; A132-T135 PolarHBondContact O-OG1 2.98Å; L133-T135 VanDerWaalsContact C-N 3.27Å; L133-T135 PolarHBondContact O-N 3.14Å; T135-V137 PolarHBondContact O-N 2.82Å; T135-Q141 WeakPolarHBondContact O-CG 3.5Å; T135-Q141 PolarHBondContact O-NE2 3.17Å |
| 136 | P | 85.7 | Confident | 91.1 | Very high | 126 Ų | 126 | 39.4 Ų | 39.4 | 82% | 0.818 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -77.1 | 4.6 | 178 | 31.9 | -36.3 | 0 | 0 | 0 | 113.7 | A138 | P136-A138 PolarHBondContact O-N 3.26Š|
| 137 | V | 88.5 | Confident | 91.5 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | trans | -92.3 | 105.2 | -173 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | K99 T135 K139 T140 Q141 | K99-V137 HydrophobicContact CB-CG1 4.08Å; K99-V137 HydrophobicContact CD-CG2 4.28Å; K99-V137 HydrophobicContact CG-CG1 4.16Å; K99-V137 HydrophobicContact CG-CG2 4.43Å; T135-V137 PolarHBondContact O-N 2.82Å; V137-K139 VanDerWaalsContact C-N 3.29Å; V137-K139 PolarHBondContact O-N 3.21Å; V137-T140 WeakPolarHBondContact O-CB 3.48Å; V137-T140 PolarHBondContact O-N 2.92Å; V137-Q141 WeakPolarHBondContact O-CG 3.39Å; V137-Q141 PolarHBondContact O-N 3.12Å | ||
| 138 | A | 91 | Very high | 91.9 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 26% | 0.256 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -52.8 | -40.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | P136 Q141 A142 A185 C188 | P136-A138 PolarHBondContact O-N 3.26Å; A138-Q141 PolarHBondContact O-N 3.01Å; A138-A142 WeakPolarHBondContact O-CB 3.34Å; A138-A142 PolarHBondContact O-N 3.36Å; A138-A185 HydrophobicContact CB-CB 3.82Å; A138-C188 PolarHBondContact O-SG 3.28Å |
| 139 | K | 90.6 | Very high | 92.3 | Very high | 97 Ų | 97 | 34 Ų | 34 | 42% | 0.422 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 176.6 | -76.7 | -175.6 | 176 | 176.9 | 0 | 112.2 | F98 T101 V137 A142 E143 | F98-K139 HydrophobicContact CB-CB 4.49Å; F98-K139 WeakPolarHBondContact O-CD 3.28Å; T101-K139 PolarHBondContact O-NZ 2.97Å; V137-K139 VanDerWaalsContact C-N 3.29Å; V137-K139 PolarHBondContact O-N 3.21Å; K139-A142 PolarHBondContact O-N 2.91Å; K139-E143 WeakPolarHBondContact O-CG 3.45Å; K139-E143 PolarHBondContact O-N 2.88Å |
| 140 | T | 94.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 176.1 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | L95 A132 V137 A142 E143 A144 | L95-T140 WeakPolarHBondContact O-CG2 3.41Å; L95-T140 PolarHBondContact O-OG1 3.35Å; A132-T140 HydrophobicContact CB-CG2 4.14Å; V137-T140 WeakPolarHBondContact O-CB 3.48Å; V137-T140 PolarHBondContact O-N 2.92Å; T140-A142 PolarHBondContact O-N 2.89Å; T140-E143 PolarHBondContact O-N 3.44Å; T140-A144 WeakPolarHBondContact O-CB 3.4Å; T140-A144 PolarHBondContact O-N 3.46Å |
| 141 | Q | 95.1 | Very high | 92.4 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 9% | 0.089 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 174.8 | -66.8 | 176.1 | -40.8 | 0 | 0 | 111.9 | L133 T135 V137 A138 A144 L145 F180 H183 | L133-Q141 PolarHBondContact O-NE2 2.97Å; L133-Q141 VanDerWaalsContact O-NE2 3.08Å; T135-Q141 WeakPolarHBondContact O-CG 3.5Å; T135-Q141 PolarHBondContact O-NE2 3.17Å; V137-Q141 WeakPolarHBondContact O-CG 3.39Å; V137-Q141 PolarHBondContact O-N 3.12Å; A138-Q141 PolarHBondContact O-N 3.01Å; Q141-A144 PolarHBondContact O-N 3.38Å; Q141-L145 VanDerWaalsContact O-CG 3.3Å; Q141-L145 WeakPolarHBondContact O-CG 3.41Å; Q141-L145 PolarHBondContact O-N 3.37Å; Q141-F180 HydrophobicContact CB-CE1 4.31Å; Q141-F180 HydrophobicContact CG-CE1 4.32Å; Q141-H183 PolarHBondContact OE1-NE2 3.39Å |
| 142 | A | 95.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | A138 K139 T140 L145 R146 E187 A191 | A138-A142 WeakPolarHBondContact O-CB 3.34Å; A138-A142 PolarHBondContact O-N 3.36Å; K139-A142 PolarHBondContact O-N 2.91Å; T140-A142 PolarHBondContact O-N 2.89Å; A142-L145 PolarHBondContact O-N 3.48Å; A142-R146 WeakPolarHBondContact O-CG 3.43Å; A142-R146 PolarHBondContact O-N 3.25Å; A142-E187 HydrophobicContact CB-CB 4.12Å; A142-A191 WeakPolarHBondContact O-CB 3.1Å |
| 143 | E | 95.4 | Very high | 92.5 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.6 | -36.2 | 176.7 | -65.4 | -59 | 141.4 | 0 | 0 | 112.6 | F98 R110 K139 T140 L145 R146 L147 | F98-E143 HydrophobicContact CD1-CG 3.76Å; F98-E143 HydrophobicContact CD2-CB 3.96Å; F98-E143 HydrophobicContact CD2-CG 3.97Å; F98-E143 HydrophobicContact CE1-CB 4.45Å; F98-E143 HydrophobicContact CE1-CG 3.63Å; F98-E143 HydrophobicContact CE2-CB 3.77Å; F98-E143 HydrophobicContact CE2-CG 3.86Å; F98-E143 HydrophobicContact CG-CB 4.39Å; F98-E143 HydrophobicContact CG-CG 3.92Å; F98-E143 HydrophobicContact CZ-CB 4.03Å; F98-E143 HydrophobicContact CZ-CG 3.68Å; R110-E143 IonicContact CZ-OE1 3.01Å; R110-E143 IonicContact CZ-OE2 2.62Å; R110-E143 IonicContact NE-OE1 3.76Å; R110-E143 PolarHBondContact NE-OE1 3.47Å; R110-E143 IonicContact NE-OE2 3.65Å; R110-E143 PolarHBondContact NE-OE2 2.94Å; R110-E143 IonicContact NH2-OE1 3.59Å; R110-E143 PolarHBondContact NH2-OE1 3.18Å; R110-E143 IonicContact NH2-OE2 2.67Å; K139-E143 WeakPolarHBondContact O-CG 3.45Å; K139-E143 PolarHBondContact O-N 2.88Å; T140-E143 PolarHBondContact O-N 3.44Å; E143-L145 VanDerWaalsContact C-N 3.33Å; E143-L145 PolarHBondContact O-N 3.5Å; E143-R146 WeakPolarHBondContact O-CB 3.34Å; E143-R146 PolarHBondContact O-N 3.45Å; E143-R146 IonicContact OE1-CZ 3.16Å; E143-R146 IonicContact OE1-NH1 2.81Å; E143-R146 PolarHBondContact OE1-NH1 2.93Å; E143-L147 WeakPolarHBondContact O-CG 3.27Å; E143-L147 PolarHBondContact O-N 2.63Å |
| 144 | A | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L129 A132 L133 T140 Q141 L147 L148 | L129-A144 HydrophobicContact CD2-CB 4.2Å; A132-A144 HydrophobicContact CB-CB 3.8Å; L133-A144 HydrophobicContact CD2-CB 3.92Å; L133-A144 HydrophobicContact CG-CB 4.04Å; T140-A144 WeakPolarHBondContact O-CB 3.4Å; T140-A144 PolarHBondContact O-N 3.46Å; Q141-A144 PolarHBondContact O-N 3.38Å; A144-L147 PolarHBondContact O-N 3Å; A144-L148 WeakPolarHBondContact O-CB 3.29Å; A144-L148 PolarHBondContact O-N 3.31Å |
| 145 | L | 97.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 172.6 | -70.4 | 171.7 | 0 | 0 | 0 | 111.8 | L133 Q141 A142 E143 L148 A149 V177 F180 A191 C192 V195 | L133-L145 HydrophobicContact CD1-CD2 4.46Å; L133-L145 HydrophobicContact CD2-CD2 3.63Å; L133-L145 HydrophobicContact CD2-CG 3.61Å; Q141-L145 VanDerWaalsContact O-CG 3.3Å; Q141-L145 WeakPolarHBondContact O-CG 3.41Å; Q141-L145 PolarHBondContact O-N 3.37Å; A142-L145 PolarHBondContact O-N 3.48Å; E143-L145 VanDerWaalsContact C-N 3.33Å; E143-L145 PolarHBondContact O-N 3.5Å; L145-L148 WeakPolarHBondContact O-CB 3.23Å; L145-L148 PolarHBondContact O-N 2.98Å; L145-A149 PolarHBondContact O-N 2.96Å; L145-V177 HydrophobicContact CD2-CG1 3.62Å; L145-V177 HydrophobicContact CD2-CG2 4.15Å; L145-F180 HydrophobicContact CD1-CB 3.9Å; L145-F180 HydrophobicContact CD1-CD1 4.36Å; L145-F180 HydrophobicContact CD1-CD2 4.44Å; L145-F180 HydrophobicContact CD1-CG 4Å; L145-F180 HydrophobicContact CD2-CD2 4.35Å; L145-A191 HydrophobicContact CB-CB 3.6Å; L145-A191 HydrophobicContact CD1-CB 4.15Å; L145-C192 HydrophobicContact CD1-CB 4.31Å; L145-V195 HydrophobicContact CB-CG2 4.12Å; L145-V195 HydrophobicContact CD2-CG2 4.09Å; L145-V195 WeakPolarHBondContact O-CG2 3.27Å |
| 146 | R | 95.6 | Very high | 89.8 | Confident | 53 Ų | 53 | 33.7 Ų | 33.7 | 20% | 0.2 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.4 | -74.6 | -179.7 | -176.8 | 101.1 | 15 | 112.5 | A142 E143 L148 A149 H150 E187 A191 | A142-R146 WeakPolarHBondContact O-CG 3.43Å; A142-R146 PolarHBondContact O-N 3.25Å; E143-R146 WeakPolarHBondContact O-CB 3.34Å; E143-R146 PolarHBondContact O-N 3.45Å; E143-R146 IonicContact OE1-CZ 3.16Å; E143-R146 IonicContact OE1-NH1 2.81Å; E143-R146 PolarHBondContact OE1-NH1 2.93Å; R146-L148 VanDerWaalsContact C-N 3.31Å; R146-L148 PolarHBondContact O-N 3.33Å; R146-A149 WeakPolarHBondContact O-CB 3.4Å; R146-A149 PolarHBondContact O-N 3.29Å; R146-H150 PolarHBondContact O-N 3.37Å; R146-E187 PolarHBondContact NH2-O 3.45Å; R146-A191 HydrophobicContact CG-CB 3.95Å |
| 147 | L | 96.1 | Very high | 89.1 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 175.6 | -71.7 | 166.3 | 0 | 0 | 0 | 111.5 | L91 L95 T113 V117 L129 E143 A144 A149 H150 I151 | L91-L147 HydrophobicContact CD1-CD1 4.19Å; L95-L147 HydrophobicContact CD2-CD1 3.88Å; T113-L147 HydrophobicContact CG2-CD1 4.36Å; V117-L147 HydrophobicContact CB-CD2 4.48Å; V117-L147 HydrophobicContact CG2-CD1 4.42Å; V117-L147 HydrophobicContact CG2-CD2 4.12Å; L129-L147 HydrophobicContact CD1-CB 4.12Å; L129-L147 HydrophobicContact CD2-CB 3.68Å; L129-L147 HydrophobicContact CD2-CD1 3.79Å; L129-L147 HydrophobicContact CD2-CG 4.41Å; E143-L147 WeakPolarHBondContact O-CG 3.27Å; E143-L147 PolarHBondContact O-N 2.63Å; A144-L147 PolarHBondContact O-N 3Å; L147-A149 VanDerWaalsContact C-N 3.34Å; L147-A149 PolarHBondContact O-N 2.84Å; L147-H150 WeakPolarHBondContact O-CB 3.47Å; L147-H150 PolarHBondContact O-N 3.47Å; L147-I151 VanDerWaalsContact O-CG1 3.29Å; L147-I151 WeakPolarHBondContact O-CG1 3.41Å; L147-I151 PolarHBondContact O-N 3.44Å |
| 148 | L | 95.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 174.4 | -169.1 | 64.7 | 0 | 0 | 0 | 111.9 | L126 L129 A144 L145 R146 I151 F152 L173 V177 V195 | L126-L148 HydrophobicContact CD1-CD1 3.86Å; L129-L148 HydrophobicContact CD1-CB 4.15Å; L129-L148 HydrophobicContact CD1-CD1 4.13Å; A144-L148 WeakPolarHBondContact O-CB 3.29Å; A144-L148 PolarHBondContact O-N 3.31Å; L145-L148 WeakPolarHBondContact O-CB 3.23Å; L145-L148 PolarHBondContact O-N 2.98Å; R146-L148 VanDerWaalsContact C-N 3.31Å; R146-L148 PolarHBondContact O-N 3.33Å; L148-I151 PolarHBondContact O-N 2.67Å; L148-F152 HydrophobicContact CD1-CE2 4.18Å; L148-F152 HydrophobicContact CG-CD2 4.33Å; L148-F152 HydrophobicContact CG-CE2 3.96Å; L148-F152 VanDerWaalsContact O-CD2 3.27Å; L148-F152 WeakPolarHBondContact O-CD2 3.17Å; L148-F152 PolarHBondContact O-N 3.37Å; L148-L173 HydrophobicContact CD1-CD2 4.16Å; L148-L173 HydrophobicContact CD2-CD1 4.33Å; L148-L173 HydrophobicContact CD2-CD2 4.03Å; L148-L173 HydrophobicContact CD2-CG 4.3Å; L148-L173 HydrophobicContact CG-CD2 4.41Å; L148-V177 HydrophobicContact CD2-CG2 4.1Å; L148-V195 HydrophobicContact CB-CG2 4.2Å; L148-V195 HydrophobicContact CD2-CG1 3.98Å; L148-V195 HydrophobicContact CD2-CG2 4.27Å; L148-V195 HydrophobicContact CG-CG1 4.39Å; L148-V195 HydrophobicContact CG-CG2 4.47Å |
| 149 | A | 94.8 | Very high | 87.3 | Confident | 6 Ų | 6 | 38 Ų | 38 | 5% | 0.05 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L145 R146 L147 I151 F152 C153 Q194 V195 A198 | L145-A149 PolarHBondContact O-N 2.96Å; R146-A149 WeakPolarHBondContact O-CB 3.4Å; R146-A149 PolarHBondContact O-N 3.29Å; L147-A149 VanDerWaalsContact C-N 3.34Å; L147-A149 PolarHBondContact O-N 2.84Å; A149-I151 PolarHBondContact O-N 3.43Å; A149-F152 PolarHBondContact O-N 3.31Å; A149-C153 PolarHBondContact O-N 3.31Å; A149-C153 VanDerWaalsContact O-N 3.14Å; A149-C153 PolarHBondContact O-SG 2.63Å; A149-Q194 HydrophobicContact CB-CB 4.01Å; A149-V195 HydrophobicContact CB-CG2 4.1Å; A149-A198 HydrophobicContact CB-CB 3.98Å; A149-A198 VanDerWaalsContact O-CB 3.31Å; A149-A198 WeakPolarHBondContact O-CB 3.41Å |
| 150 | H | 93.7 | Very high | 86.3 | Confident | 60 Ų | 60 | 40.3 Ų | 40.3 | 28% | 0.278 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.7 | -46.9 | 175.5 | 177.1 | 76.9 | 0 | 0 | 0 | 112.3 | T114 D118 R146 L147 F152 C153 K154 | T114-H150 VanDerWaalsContact CG2-CE1 3.44Å; T114-H150 WeakPolarHBondContact CG2-CE1 3.19Å; T114-H150 WeakPolarHBondContact CG2-NE2 3.41Å; D118-H150 IonicContact OD1-CD2 2.88Å; D118-H150 IonicContact OD1-CE1 2.95Å; D118-H150 IonicContact OD1-NE2 3.83Å; D118-H150 PolarHBondContact OD1-NE2 3.41Å; D118-H150 IonicContact OD2-NE2 2.98Å; D118-H150 PolarHBondContact OD2-NE2 3.32Å; R146-H150 PolarHBondContact O-N 3.37Å; L147-H150 WeakPolarHBondContact O-CB 3.47Å; L147-H150 PolarHBondContact O-N 3.47Å; H150-F152 VanDerWaalsContact C-N 3.31Å; H150-F152 PolarHBondContact O-N 3.06Å; H150-C153 PolarHBondContact O-N 2.95Å; H150-C153 VanDerWaalsContact O-N 3.14Å; H150-K154 PolarHBondContact O-N 3.5Å |
| 151 | I | 91 | Very high | 85.3 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.051 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -43.4 | 177.2 | -67.9 | 166.2 | 0 | 0 | 0 | 111.1 | V117 F122 A125 L129 L147 L148 A149 C153 K154 L157 | V117-I151 HydrophobicContact CG1-CD1 3.57Å; V117-I151 HydrophobicContact CG1-CG1 3.44Å; V117-I151 VanDerWaalsContact CG1-CG1 3.44Å; F122-I151 HydrophobicContact CD2-CG2 3.51Å; F122-I151 HydrophobicContact CE2-CG2 3.79Å; A125-I151 HydrophobicContact CB-CD1 3.78Å; L129-I151 HydrophobicContact CD1-CD1 3.53Å; L147-I151 VanDerWaalsContact O-CG1 3.29Å; L147-I151 WeakPolarHBondContact O-CG1 3.41Å; L147-I151 PolarHBondContact O-N 3.44Å; L148-I151 PolarHBondContact O-N 2.67Å; A149-I151 PolarHBondContact O-N 3.43Å; I151-C153 VanDerWaalsContact C-N 3.29Å; I151-C153 PolarHBondContact O-N 2.98Å; I151-K154 WeakPolarHBondContact O-CB 3.36Å; I151-K154 PolarHBondContact O-N 3.33Å; I151-L157 HydrophobicContact CG2-CD2 4.01Å |
| 152 | F | 90.4 | Very high | 84.4 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.5 | -26.9 | 178.9 | -79.6 | -48.4 | 0 | 0 | 0 | 114.2 | F122 L148 A149 H150 K154 L173 V195 A198 N199 F202 | F122-F152 HydrophobicContact CE2-CE1 4.21Å; F122-F152 HydrophobicContact CZ-CE1 4.4Å; L148-F152 HydrophobicContact CD1-CE2 4.18Å; L148-F152 HydrophobicContact CG-CD2 4.33Å; L148-F152 HydrophobicContact CG-CE2 3.96Å; L148-F152 VanDerWaalsContact O-CD2 3.27Å; L148-F152 WeakPolarHBondContact O-CD2 3.17Å; L148-F152 PolarHBondContact O-N 3.37Å; A149-F152 PolarHBondContact O-N 3.31Å; H150-F152 VanDerWaalsContact C-N 3.31Å; H150-F152 PolarHBondContact O-N 3.06Å; F152-K154 VanDerWaalsContact C-N 3.28Å; F152-K154 PolarHBondContact O-N 3.13Å; F152-L173 HydrophobicContact CE2-CD2 3.51Å; F152-L173 HydrophobicContact CZ-CD2 3.3Å; F152-V195 HydrophobicContact CE2-CG1 4.39Å; F152-A198 HydrophobicContact CB-CB 3.77Å; F152-N199 HydrophobicContact CD2-CB 4.34Å; F152-N199 WeakPolarHBondContact CE1-ND2 3.49Å; F152-N199 VanDerWaalsContact CZ-ND2 3.29Å; F152-N199 WeakPolarHBondContact CZ-ND2 3.28Å; F152-F202 HydrophobicContact CB-CB 4.15Å; F152-F202 HydrophobicContact CD1-CB 3.85Å; F152-F202 AromaticContact CD1-CD1 3.61Å; F152-F202 HydrophobicContact CD1-CD1 3.61Å; F152-F202 HydrophobicContact CD1-CD2 4.05Å; F152-F202 HydrophobicContact CD1-CE1 4.08Å; F152-F202 HydrophobicContact CD1-CE2 4.49Å; F152-F202 AromaticContact CD1-CG 3.56Å; F152-F202 HydrophobicContact CD1-CG 3.56Å; F152-F202 HydrophobicContact CD1-CZ 4.48Å; F152-F202 AromaticContact CE1-CD1 3.72Å; F152-F202 HydrophobicContact CE1-CD1 3.72Å; F152-F202 AromaticContact CE1-CE1 3.84Å; F152-F202 HydrophobicContact CE1-CE1 3.84Å; F152-F202 HydrophobicContact CE1-CG 4.16Å; F152-F202 HydrophobicContact CE1-CZ 4.4Å; F152-F202 HydrophobicContact CG-CB 4.32Å; F152-F202 HydrophobicContact CG-CG 4.49Å |
| 153 | C | 88.1 | Confident | 83.6 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 22% | 0.216 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -77.3 | -10.7 | 176.1 | -70.6 | 0 | 0 | 0 | 0 | 113.4 | A149 H150 I151 S155 I237 | A149-C153 PolarHBondContact O-N 3.31Å; A149-C153 VanDerWaalsContact O-N 3.14Å; A149-C153 PolarHBondContact O-SG 2.63Å; H150-C153 PolarHBondContact O-N 2.95Å; H150-C153 VanDerWaalsContact O-N 3.14Å; I151-C153 VanDerWaalsContact C-N 3.29Å; I151-C153 PolarHBondContact O-N 2.98Å; C153-S155 PolarHBondContact O-N 3.22Å; C153-I237 HydrophobicContact CB-CD1 4.12Å |
| 154 | K | 80.3 | Confident | 82.7 | Confident | 64 Ų | 64 | 53.6 Ų | 53.6 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | trans | -66.3 | 125 | 179.2 | -77.5 | -165.4 | 169.2 | -169.1 | 0 | 112.7 | D118 H150 I151 F152 N156 L157 | D118-K154 PolarHBondContact O-NZ 2.96Å; D118-K154 WeakPolarHBondContact OD1-CE 2.96Å; D118-K154 IonicContact OD1-NZ 3.99Å; D118-K154 PolarHBondContact OD1-NZ 2.87Å; H150-K154 PolarHBondContact O-N 3.5Å; I151-K154 WeakPolarHBondContact O-CB 3.36Å; I151-K154 PolarHBondContact O-N 3.33Å; F152-K154 VanDerWaalsContact C-N 3.28Å; F152-K154 PolarHBondContact O-N 3.13Å; K154-N156 VanDerWaalsContact C-N 3.29Å; K154-N156 PolarHBondContact O-N 3.44Å; K154-L157 HydrophobicContact CB-CB 4.45Å; K154-L157 PolarHBondContact O-N 3.16Å | ||
| 155 | S | 60.3 | Low | 81.7 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 47% | 0.469 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.8 | -26.6 | 179.7 | 65.6 | 0 | 0 | 0 | 0 | 114 | C153 R159 | C153-S155 PolarHBondContact O-N 3.22Å; S155-R159 WeakPolarHBondContact O-CG 3.01Å; S155-R159 PolarHBondContact O-N 3.35Å; S155-R159 PolarHBondContact O-NE 3.04Å; S155-R159 PolarHBondContact OG-NH2 3.46Å |
| 156 | N | 70.6 | Confident | 81.2 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 46% | 0.46 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.2 | -46.6 | 179.6 | -64.7 | -4.5 | 0 | 0 | 0 | 111.1 | K154 R158 R159 E160 | K154-N156 VanDerWaalsContact C-N 3.29Å; K154-N156 PolarHBondContact O-N 3.44Å; N156-R158 VanDerWaalsContact C-N 3.26Å; N156-R158 PolarHBondContact O-N 2.93Å; N156-R159 PolarHBondContact O-N 3.06Å; N156-R159 PolarHBondContact OD1-NH2 3.42Å; N156-E160 WeakPolarHBondContact O-CG 3.3Å; N156-E160 PolarHBondContact O-N 3.21Å |
| 157 | L | 70.4 | Confident | 80.6 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -38 | 178.6 | -165.5 | 75.2 | 0 | 0 | 0 | 112.1 | F122 I151 K154 R159 I161 F202 | F122-L157 HydrophobicContact CB-CD1 3.73Å; F122-L157 HydrophobicContact CD2-CD1 4.02Å; F122-L157 HydrophobicContact CD2-CD2 3.59Å; F122-L157 HydrophobicContact CD2-CG 4.46Å; F122-L157 HydrophobicContact CE2-CD2 3.95Å; F122-L157 HydrophobicContact CG-CD1 4.01Å; F122-L157 HydrophobicContact CG-CD2 4.36Å; I151-L157 HydrophobicContact CG2-CD2 4.01Å; K154-L157 HydrophobicContact CB-CB 4.45Å; K154-L157 PolarHBondContact O-N 3.16Å; L157-R159 VanDerWaalsContact C-N 3.31Å; L157-R159 PolarHBondContact O-N 3.21Å; L157-I161 HydrophobicContact CD1-CD1 3.57Å; L157-I161 HydrophobicContact CD1-CG1 4.42Å; L157-I161 HydrophobicContact CG-CD1 3.89Å; L157-I161 PolarHBondContact O-N 2.95Å; L157-F202 HydrophobicContact CB-CE2 4.36Å; L157-F202 HydrophobicContact CD2-CD2 4.27Å; L157-F202 HydrophobicContact CD2-CE2 3.65Å; L157-F202 HydrophobicContact CD2-CZ 4.15Å; L157-F202 HydrophobicContact CG-CE2 3.79Å; L157-F202 HydrophobicContact CG-CZ 4.41Å |
| 158 | R | 73.5 | Confident | 79.7 | Confident | 79 Ų | 79 | 67 Ų | 67 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.5 | -31 | 176.8 | -166.4 | -178.5 | -177.2 | 170.2 | 3.9 | 113 | N156 I201 D204 | N156-R158 VanDerWaalsContact C-N 3.26Å; N156-R158 PolarHBondContact O-N 2.93Å; R158-I201 PolarHBondContact NE-O 3.04Å; R158-I201 PolarHBondContact NH1-O 3.45Å; R158-I201 PolarHBondContact NH2-O 2.88Å; R158-I201 VanDerWaalsContact NH2-O 3.16Å; R158-D204 IonicContact CZ-OD1 2.84Å; R158-D204 IonicContact CZ-OD2 2.63Å; R158-D204 IonicContact NE-OD1 3.62Å; R158-D204 PolarHBondContact NE-OD1 3.31Å; R158-D204 IonicContact NE-OD2 3.81Å; R158-D204 PolarHBondContact NE-OD2 3.18Å; R158-D204 IonicContact NH2-OD1 3.68Å; R158-D204 PolarHBondContact NH2-OD1 3.41Å; R158-D204 IonicContact NH2-OD2 3.59Å |
| 159 | R | 69.3 | Low | 79.1 | Confident | 186 Ų | 186 | 69.2 Ų | 69.2 | 70% | 0.702 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -86.1 | -35 | 179.8 | -76.1 | -176.5 | -80.9 | 169.2 | -4.7 | 112.9 | S155 N156 L157 | S155-R159 WeakPolarHBondContact O-CG 3.01Å; S155-R159 PolarHBondContact O-N 3.35Å; S155-R159 PolarHBondContact O-NE 3.04Å; S155-R159 PolarHBondContact OG-NH2 3.46Å; N156-R159 PolarHBondContact O-N 3.06Å; N156-R159 PolarHBondContact OD1-NH2 3.42Å; L157-R159 VanDerWaalsContact C-N 3.31Å; L157-R159 PolarHBondContact O-N 3.21Å |
| 160 | E | 69.9 | Low | 78.8 | Confident | 146 Ų | 146 | 69 Ų | 69 | 68% | 0.682 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -75.8 | -30.8 | -177.6 | -72.7 | 167.2 | -164.5 | 0 | 0 | 112.9 | N156 | N156-E160 WeakPolarHBondContact O-CG 3.3Å; N156-E160 PolarHBondContact O-N 3.21Å |
| 161 | I | 73.3 | Confident | 78.3 | Confident | 29 Ų | 29 | 71 Ų | 71 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -106.3 | 124.3 | -173.3 | -53.2 | 179.9 | 0 | 0 | 0 | 111 | L157 Q165 R166 I169 | L157-I161 HydrophobicContact CD1-CD1 3.57Å; L157-I161 HydrophobicContact CD1-CG1 4.42Å; L157-I161 HydrophobicContact CG-CD1 3.89Å; L157-I161 PolarHBondContact O-N 2.95Å; I161-Q165 HydrophobicContact CG2-CB 3.58Å; I161-R166 HydrophobicContact CB-CG 3.85Å; I161-R166 HydrophobicContact CG2-CG 3.57Å; I161-R166 WeakPolarHBondContact O-CD 3.3Å; I161-R166 PolarHBondContact O-NE 2.86Å; I161-I169 HydrophobicContact CD1-CD1 4.48Å |
| 162 | Q | 76.3 | Confident | 78 | Confident | 139 Ų | 139 | 74.1 Ų | 74.1 | 65% | 0.65 | 36% | 0.362 | S | S | * | . | trans | -61 | 146.3 | 175.4 | -76 | -171.5 | 6.2 | 0 | 0 | 111.8 | S164 Q165 R166 | Q162-S164 PolarHBondContact O-N 3.3Å; Q162-S164 VanDerWaalsContact O-N 3.1Å; Q162-Q165 WeakPolarHBondContact O-CB 3.44Å; Q162-Q165 PolarHBondContact O-N 2.84Å; Q162-R166 WeakPolarHBondContact O-CG 3.29Å; Q162-R166 PolarHBondContact O-N 3.01Å | ||
| 163 | L | 77.9 | Confident | 77.9 | Confident | 74 Ų | 74 | 74.6 Ų | 74.6 | 39% | 0.387 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -53.4 | -37.5 | -176.5 | -177.1 | 65.1 | 0 | 0 | 0 | 113.4 | Q165 R166 L167 L203 F205 | L163-Q165 PolarHBondContact O-N 2.93Å; L163-R166 PolarHBondContact O-N 3.03Å; L163-L167 PolarHBondContact O-N 3.34Å; L163-L203 HydrophobicContact CD1-CD2 4.46Å; L163-L203 VanDerWaalsContact CD1-O 3.3Å; L163-L203 WeakPolarHBondContact CD1-O 3.48Å; L163-F205 HydrophobicContact CD1-CE1 4.09Å; L163-F205 HydrophobicContact CD2-CE1 4.38Å |
| 164 | S | 76.9 | Confident | 78.1 | Confident | 70 Ų | 70 | 73 Ų | 73 | 49% | 0.49 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 178 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | Q162 K168 | Q162-S164 PolarHBondContact O-N 3.3Å; Q162-S164 VanDerWaalsContact O-N 3.1Å; S164-K168 WeakPolarHBondContact O-CG 3.13Å; S164-K168 PolarHBondContact O-N 3.25Å |
| 165 | Q | 75.5 | Confident | 78.6 | Confident | 101 Ų | 101 | 73.2 Ų | 73.2 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.9 | -42.1 | 175.3 | -70.1 | 172.4 | -26.8 | 0 | 0 | 111.1 | I161 Q162 L163 L167 K168 I169 | I161-Q165 HydrophobicContact CG2-CB 3.58Å; Q162-Q165 WeakPolarHBondContact O-CB 3.44Å; Q162-Q165 PolarHBondContact O-N 2.84Å; L163-Q165 PolarHBondContact O-N 2.93Å; Q165-L167 PolarHBondContact O-N 3.43Å; Q165-K168 WeakPolarHBondContact O-CB 3.34Å; Q165-K168 PolarHBondContact O-N 3Å; Q165-I169 WeakPolarHBondContact O-CG1 3.41Å; Q165-I169 PolarHBondContact O-N 3.3Å |
| 166 | R | 86 | Confident | 79.9 | Confident | 25 Ų | 25 | 74.7 Ų | 74.7 | 9% | 0.094 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -54.4 | -43.5 | 174.4 | -64.1 | -168.3 | -95.5 | 151.1 | -3 | 111.4 | I161 Q162 L163 K168 I169 S170 F202 L203 D204 | I161-R166 HydrophobicContact CB-CG 3.85Å; I161-R166 HydrophobicContact CG2-CG 3.57Å; I161-R166 WeakPolarHBondContact O-CD 3.3Å; I161-R166 PolarHBondContact O-NE 2.86Å; Q162-R166 WeakPolarHBondContact O-CG 3.29Å; Q162-R166 PolarHBondContact O-N 3.01Å; L163-R166 PolarHBondContact O-N 3.03Å; R166-K168 PolarHBondContact O-N 3.16Å; R166-I169 PolarHBondContact O-N 2.95Å; R166-S170 WeakPolarHBondContact O-CB 3.27Å; R166-S170 PolarHBondContact O-N 3.37Å; R166-S170 PolarHBondContact O-OG 2.96Å; R166-S170 VanDerWaalsContact O-OG 3.05Å; R166-F202 HydrophobicContact CB-CD1 4.23Å; R166-F202 HydrophobicContact CB-CE1 3.51Å; R166-F202 HydrophobicContact CB-CZ 3.79Å; R166-F202 WeakPolarHBondContact CD-O 3.47Å; R166-F202 HydrophobicContact CG-CE1 3.67Å; R166-F202 HydrophobicContact CG-CE2 3.95Å; R166-F202 HydrophobicContact CG-CZ 3.36Å; R166-F202 PolarHBondContact NH1-O 3.17Å; R166-L203 HydrophobicContact CB-CD2 3.9Å; R166-D204 IonicContact CZ-OD2 2.6Å; R166-D204 IonicContact NH1-OD2 3.31Å; R166-D204 PolarHBondContact NH1-OD2 2.89Å; R166-D204 IonicContact NH2-OD2 3.38Å |
| 167 | L | 83.1 | Confident | 80.9 | Confident | 49 Ų | 49 | 70.7 Ų | 70.7 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 177.6 | -132.6 | 112.2 | 0 | 0 | 0 | 113.3 | L163 Q165 I169 S170 K171 L203 F205 I213 | L163-L167 PolarHBondContact O-N 3.34Å; Q165-L167 PolarHBondContact O-N 3.43Å; L167-I169 VanDerWaalsContact C-N 3.32Å; L167-S170 PolarHBondContact O-N 2.93Å; L167-K171 PolarHBondContact O-N 3.27Å; L167-L203 HydrophobicContact CD1-CD2 4.34Å; L167-F205 HydrophobicContact CD1-CE2 4.23Å; L167-F205 HydrophobicContact CD1-CZ 3.69Å; L167-I213 HydrophobicContact CD1-CD1 3.92Å; L167-I213 HydrophobicContact CD2-CD1 4.24Å; L167-I213 HydrophobicContact CG-CD1 4.04Å |
| 168 | K | 76.6 | Confident | 82 | Confident | 163 Ų | 163 | 70.4 Ų | 70.4 | 71% | 0.709 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.4 | -35.3 | 176.9 | -74.5 | 179.6 | 178.6 | -177 | 0 | 111.9 | S164 Q165 R166 P172 | S164-K168 WeakPolarHBondContact O-CG 3.13Å; S164-K168 PolarHBondContact O-N 3.25Å; Q165-K168 WeakPolarHBondContact O-CB 3.34Å; Q165-K168 PolarHBondContact O-N 3Å; R166-K168 PolarHBondContact O-N 3.16Å; K168-P172 WeakPolarHBondContact O-CD 3.47Å; K168-P172 WeakPolarHBondContact O-CG 3.37Å |
| 169 | I | 82.4 | Confident | 82.9 | Confident | 48 Ų | 48 | 73.5 Ų | 73.5 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -75.2 | -43.3 | 176.6 | -62.3 | 165.6 | 0 | 0 | 0 | 110.7 | F122 I161 Q165 R166 L167 L173 | F122-I169 HydrophobicContact CE1-CD1 4.25Å; F122-I169 HydrophobicContact CE1-CG2 3.75Å; F122-I169 HydrophobicContact CZ-CG2 3.67Å; I161-I169 HydrophobicContact CD1-CD1 4.48Å; Q165-I169 WeakPolarHBondContact O-CG1 3.41Å; Q165-I169 PolarHBondContact O-N 3.3Å; R166-I169 PolarHBondContact O-N 2.95Å; L167-I169 VanDerWaalsContact C-N 3.32Å; I169-L173 WeakPolarHBondContact O-CB 3.39Å |
| 170 | S | 88.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.6 | -46.9 | -173.4 | -69.7 | 0 | 0 | 0 | 0 | 114 | R166 L167 L173 L174 N199 | R166-S170 WeakPolarHBondContact O-CB 3.27Å; R166-S170 PolarHBondContact O-N 3.37Å; R166-S170 PolarHBondContact O-OG 2.96Å; R166-S170 VanDerWaalsContact O-OG 3.05Å; L167-S170 PolarHBondContact O-N 2.93Å; S170-L173 PolarHBondContact O-N 3.4Å; S170-L174 WeakPolarHBondContact O-CB 3.45Å; S170-L174 WeakPolarHBondContact O-CG 3.49Å; S170-L174 PolarHBondContact O-N 3.47Å; S170-N199 VanDerWaalsContact CB-OD1 3.22Å; S170-N199 WeakPolarHBondContact CB-OD1 3.46Å; S170-N199 PolarHBondContact OG-ND2 3.14Å; S170-N199 PolarHBondContact OG-OD1 3.07Å |
| 171 | K | 84.4 | Confident | 85.2 | Confident | 102 Ų | 102 | 58.3 Ų | 58.3 | 44% | 0.443 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -52.9 | -172.5 | -82.2 | -176 | 177.6 | -174.8 | 0 | 113.9 | L167 L173 S175 I213 | L167-K171 PolarHBondContact O-N 3.27Å; K171-L173 VanDerWaalsContact C-N 3.32Å; K171-L173 PolarHBondContact O-N 3.42Å; K171-S175 WeakPolarHBondContact O-CB 3.43Å; K171-S175 PolarHBondContact O-N 2.83Å; K171-S175 VanDerWaalsContact O-N 3.1Å; K171-I213 HydrophobicContact CG-CG2 3.84Å |
| 172 | P | 83.9 | Confident | 86 | Confident | 76 Ų | 76 | 63.2 Ų | 63.2 | 49% | 0.494 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 179.7 | -19.6 | 32 | 0 | 0 | 0 | 111.9 | K168 S175 N176 | K168-P172 WeakPolarHBondContact O-CD 3.47Å; K168-P172 WeakPolarHBondContact O-CG 3.37Å; P172-S175 PolarHBondContact O-N 3.07Å; P172-N176 PolarHBondContact O-N 3.05Å; P172-N176 VanDerWaalsContact O-N 3.1Å |
| 173 | L | 88 | Confident | 86.9 | Confident | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.8 | -47.2 | -178.6 | -172.1 | 73.5 | 0 | 0 | 0 | 112.2 | L126 L148 F152 I169 S170 K171 S175 N176 V177 | L126-L173 HydrophobicContact CD1-CD1 3.82Å; L148-L173 HydrophobicContact CD1-CD2 4.16Å; L148-L173 HydrophobicContact CD2-CD1 4.33Å; L148-L173 HydrophobicContact CD2-CD2 4.03Å; L148-L173 HydrophobicContact CD2-CG 4.3Å; L148-L173 HydrophobicContact CG-CD2 4.41Å; F152-L173 HydrophobicContact CE2-CD2 3.51Å; F152-L173 HydrophobicContact CZ-CD2 3.3Å; I169-L173 WeakPolarHBondContact O-CB 3.39Å; S170-L173 PolarHBondContact O-N 3.4Å; K171-L173 VanDerWaalsContact C-N 3.32Å; K171-L173 PolarHBondContact O-N 3.42Å; L173-S175 VanDerWaalsContact C-N 3.3Å; L173-S175 PolarHBondContact O-N 3.07Å; L173-N176 PolarHBondContact O-N 3.19Å; L173-N176 VanDerWaalsContact O-N 3.15Å; L173-V177 WeakPolarHBondContact O-CG2 3.27Å; L173-V177 PolarHBondContact O-N 3.14Å |
| 174 | L | 93.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 177.5 | -72.1 | -177.8 | 0 | 0 | 0 | 111.8 | S170 N176 V177 A178 V195 F196 N199 F210 I214 M217 | S170-L174 WeakPolarHBondContact O-CB 3.45Å; S170-L174 WeakPolarHBondContact O-CG 3.49Å; S170-L174 PolarHBondContact O-N 3.47Å; L174-N176 VanDerWaalsContact C-N 3.3Å; L174-N176 PolarHBondContact O-N 2.84Å; L174-V177 PolarHBondContact O-N 3.46Å; L174-A178 WeakPolarHBondContact O-CB 3.47Å; L174-A178 PolarHBondContact O-N 2.84Å; L174-V195 HydrophobicContact CD2-CG1 4.15Å; L174-F196 HydrophobicContact CB-CE1 4.1Å; L174-F196 HydrophobicContact CB-CZ 4.21Å; L174-F196 HydrophobicContact CD1-CD1 4.24Å; L174-F196 HydrophobicContact CD1-CE1 4.23Å; L174-F196 HydrophobicContact CD2-CD1 3.96Å; L174-F196 HydrophobicContact CD2-CD2 4.25Å; L174-F196 HydrophobicContact CD2-CE1 4.03Å; L174-F196 HydrophobicContact CD2-CE2 4.31Å; L174-F196 HydrophobicContact CD2-CG 4.08Å; L174-F196 HydrophobicContact CD2-CZ 4.2Å; L174-F196 HydrophobicContact CG-CE1 4.36Å; L174-N199 HydrophobicContact CD1-CB 4.25Å; L174-N199 WeakPolarHBondContact CD1-OD1 3.26Å; L174-N199 HydrophobicContact CD2-CB 4.01Å; L174-N199 HydrophobicContact CG-CB 4.46Å; L174-F210 HydrophobicContact CD1-CE2 4.11Å; L174-F210 HydrophobicContact CD1-CZ 3.96Å; L174-I214 HydrophobicContact CD1-CG2 3.84Å; L174-M217 HydrophobicContact CB-SD 4.15Å |
| 175 | S | 89.8 | Confident | 88 | Confident | 68 Ų | 68 | 62.5 Ų | 62.5 | 48% | 0.476 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 173.3 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | K171 P172 L173 | K171-S175 WeakPolarHBondContact O-CB 3.43Å; K171-S175 PolarHBondContact O-N 2.83Å; K171-S175 VanDerWaalsContact O-N 3.1Å; P172-S175 PolarHBondContact O-N 3.07Å; L173-S175 VanDerWaalsContact C-N 3.3Å; L173-S175 PolarHBondContact O-N 3.07Å |
| 176 | N | 87.8 | Confident | 88.7 | Confident | 97 Ų | 97 | 61 Ų | 61 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.4 | -33.4 | 177.8 | -74 | -17.5 | 0 | 0 | 0 | 112.8 | P172 L173 L174 K179 | P172-N176 PolarHBondContact O-N 3.05Å; P172-N176 VanDerWaalsContact O-N 3.1Å; L173-N176 PolarHBondContact O-N 3.19Å; L173-N176 VanDerWaalsContact O-N 3.15Å; L174-N176 VanDerWaalsContact C-N 3.3Å; L174-N176 PolarHBondContact O-N 2.84Å; N176-K179 WeakPolarHBondContact O-CD 3.31Å; N176-K179 VanDerWaalsContact O-CE 3.28Å; N176-K179 WeakPolarHBondContact O-CE 3.31Å; N176-K179 WeakPolarHBondContact O-CG 3.49Å |
| 177 | V | 93.1 | Very high | 89 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -80.8 | -27 | 179.9 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | L145 L148 L173 L174 K179 F180 C192 V195 F196 | L145-V177 HydrophobicContact CD2-CG1 3.62Å; L145-V177 HydrophobicContact CD2-CG2 4.15Å; L148-V177 HydrophobicContact CD2-CG2 4.1Å; L173-V177 WeakPolarHBondContact O-CG2 3.27Å; L173-V177 PolarHBondContact O-N 3.14Å; L174-V177 PolarHBondContact O-N 3.46Å; V177-K179 PolarHBondContact O-N 3.01Å; V177-F180 WeakPolarHBondContact O-CB 3.46Å; V177-F180 WeakPolarHBondContact O-CD2 3.34Å; V177-F180 PolarHBondContact O-N 3Å; V177-C192 PolarHBondContact O-SG 3.43Å; V177-V195 HydrophobicContact CG1-CB 4.26Å; V177-V195 HydrophobicContact CG1-CG1 4.13Å; V177-F196 HydrophobicContact CG1-CE2 4.35Å |
| 178 | A | 93.4 | Very high | 89.5 | Confident | 12 Ų | 12 | 62 Ų | 62 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -51.8 | -33.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L174 F180 S181 F196 M217 | L174-A178 WeakPolarHBondContact O-CB 3.47Å; L174-A178 PolarHBondContact O-N 2.84Å; A178-F180 PolarHBondContact O-N 3.46Å; A178-S181 VanDerWaalsContact O-CB 3.3Å; A178-S181 WeakPolarHBondContact O-CB 3.34Å; A178-S181 PolarHBondContact O-N 2.8Å; A178-S181 VanDerWaalsContact O-N 3.09Å; A178-S181 PolarHBondContact O-OG 3.41Å; A178-F196 HydrophobicContact CB-CZ 4.03Å; A178-M217 HydrophobicContact CB-CB 4.23Å |
| 179 | K | 90.7 | Very high | 90.4 | Very high | 145 Ų | 145 | 58.3 Ų | 58.3 | 63% | 0.63 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -58.9 | -27.2 | 176.8 | 70.1 | -170.2 | 178 | -176.3 | 0 | 113.7 | N176 V177 S181 Q182 | N176-K179 WeakPolarHBondContact O-CD 3.31Å; N176-K179 VanDerWaalsContact O-CE 3.28Å; N176-K179 WeakPolarHBondContact O-CE 3.31Å; N176-K179 WeakPolarHBondContact O-CG 3.49Å; V177-K179 PolarHBondContact O-N 3.01Å; K179-S181 VanDerWaalsContact C-N 3.3Å; K179-S181 PolarHBondContact O-N 3.45Å; K179-Q182 PolarHBondContact O-N 3.31Å |
| 180 | F | 95 | Very high | 91 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 4% | 0.044 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -76.7 | -15.3 | 179.3 | -65.8 | -79.2 | 0 | 0 | 0 | 113.4 | L133 Q141 L145 V177 A178 Q182 H183 C192 | L133-F180 HydrophobicContact CB-CZ 4.4Å; L133-F180 HydrophobicContact CD2-CE2 4.21Å; L133-F180 HydrophobicContact CD2-CZ 4.2Å; Q141-F180 HydrophobicContact CB-CE1 4.31Å; Q141-F180 HydrophobicContact CG-CE1 4.32Å; L145-F180 HydrophobicContact CD1-CB 3.9Å; L145-F180 HydrophobicContact CD1-CD1 4.36Å; L145-F180 HydrophobicContact CD1-CD2 4.44Å; L145-F180 HydrophobicContact CD1-CG 4Å; L145-F180 HydrophobicContact CD2-CD2 4.35Å; V177-F180 WeakPolarHBondContact O-CB 3.46Å; V177-F180 WeakPolarHBondContact O-CD2 3.34Å; V177-F180 PolarHBondContact O-N 3Å; A178-F180 PolarHBondContact O-N 3.46Å; F180-Q182 PolarHBondContact O-N 2.68Å; F180-Q182 VanDerWaalsContact O-N 3.15Å; F180-H183 WeakPolarHBondContact O-CB 3.34Å; F180-H183 PolarHBondContact O-N 2.94Å; F180-C192 HydrophobicContact CB-CB 3.93Å |
| 181 | S | 93.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -62 | -20.7 | 172.8 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | A178 K179 R189 C192 L218 | A178-S181 VanDerWaalsContact O-CB 3.3Å; A178-S181 WeakPolarHBondContact O-CB 3.34Å; A178-S181 PolarHBondContact O-N 2.8Å; A178-S181 VanDerWaalsContact O-N 3.09Å; A178-S181 PolarHBondContact O-OG 3.41Å; K179-S181 VanDerWaalsContact C-N 3.3Å; K179-S181 PolarHBondContact O-N 3.45Å; S181-R189 VanDerWaalsContact O-CD 3.26Å; S181-R189 WeakPolarHBondContact O-CD 3.49Å; S181-R189 WeakPolarHBondContact O-CG 3.27Å; S181-C192 PolarHBondContact N-SG 3.41Å; S181-C192 VanDerWaalsContact N-SG 3.38Å; S181-L218 WeakPolarHBondContact OG-CD2 3.34Å |
| 182 | Q | 90.4 | Very high | 92 | Very high | 133 Ų | 133 | 53.6 Ų | 53.6 | 62% | 0.621 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -111 | 12.8 | 177.8 | -58.6 | -177.8 | 33.2 | 0 | 0 | 112.6 | K179 F180 R222 | K179-Q182 PolarHBondContact O-N 3.31Å; F180-Q182 PolarHBondContact O-N 2.68Å; F180-Q182 VanDerWaalsContact O-N 3.15Å; Q182-R222 VanDerWaalsContact CG-CZ 3.49Å |
| 183 | H | 94 | Very high | 92.6 | Very high | 49 Ų | 49 | 50.7 Ų | 50.7 | 23% | 0.227 | 25% | 0.25 | C | C | . | . | trans | -61.6 | 147.9 | -178.3 | -165.4 | -97.4 | 0 | 0 | 0 | 111.6 | Q141 F180 A185 C188 R189 | Q141-H183 PolarHBondContact OE1-NE2 3.39Å; F180-H183 WeakPolarHBondContact O-CB 3.34Å; F180-H183 PolarHBondContact O-N 2.94Å; H183-A185 VanDerWaalsContact C-N 3.34Å; H183-A185 PolarHBondContact ND1-N 3.4Å; H183-A185 VanDerWaalsContact ND1-N 3.19Å; H183-A185 PolarHBondContact O-N 2.91Å; H183-C188 HydrophobicContact CB-CB 3.75Å; H183-C188 WeakPolarHBondContact ND1-CB 3.36Å; H183-C188 PolarHBondContact ND1-SG 2.94Å; H183-R189 HydrophobicContact CB-CG 4.25Å; H183-R189 VanDerWaalsContact O-CD 3.27Å; H183-R189 WeakPolarHBondContact O-CD 3.21Å; H183-R189 VanDerWaalsContact O-CG 3.27Å; H183-R189 WeakPolarHBondContact O-CG 3.49Å; H183-R189 PolarHBondContact O-NH1 2.9Å | ||
| 184 | K | 89.1 | Confident | 93 | Very high | 201 Ų | 201 | 52.6 Ų | 52.6 | 87% | 0.874 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -63.2 | -39.6 | -178.5 | -67.9 | -177.6 | 179.5 | 179.3 | 0 | 112.5 | R189 | K184-R189 PolarHBondContact O-NH1 2.83Š|
| 185 | A | 90.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -78.1 | 126.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | A138 H183 E187 C188 R189 | A138-A185 HydrophobicContact CB-CB 3.82Å; H183-A185 VanDerWaalsContact C-N 3.34Å; H183-A185 PolarHBondContact ND1-N 3.4Å; H183-A185 VanDerWaalsContact ND1-N 3.19Å; H183-A185 PolarHBondContact O-N 2.91Å; A185-E187 VanDerWaalsContact C-N 3.26Å; A185-E187 WeakPolarHBondContact CB-OE2 3.34Å; A185-E187 PolarHBondContact O-N 2.97Å; A185-C188 PolarHBondContact O-N 3.4Å; A185-R189 PolarHBondContact O-N 2.81Å |
| 186 | P | 90.6 | Very high | 93.5 | Very high | 69 Ų | 69 | 49.3 Ų | 49.3 | 45% | 0.448 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.1 | -32.1 | -177.5 | 25 | -32.8 | 0 | 0 | 0 | 113 | C188 R189 E190 | P186-C188 VanDerWaalsContact C-N 3.29Å; P186-C188 PolarHBondContact O-N 3.01Å; P186-R189 PolarHBondContact O-N 3.12Å; P186-E190 PolarHBondContact O-N 3.43Å |
| 187 | E | 91.3 | Very high | 93.9 | Very high | 95 Ų | 95 | 44.7 Ų | 44.7 | 44% | 0.444 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.1 | -32.9 | -178.8 | -50.7 | 80.6 | -175.4 | 0 | 0 | 111.8 | A142 R146 A185 A191 | A142-E187 HydrophobicContact CB-CB 4.12Å; R146-E187 PolarHBondContact NH2-O 3.45Å; A185-E187 VanDerWaalsContact C-N 3.26Å; A185-E187 WeakPolarHBondContact CB-OE2 3.34Å; A185-E187 PolarHBondContact O-N 2.97Å; E187-A191 VanDerWaalsContact O-CB 3.28Å; E187-A191 WeakPolarHBondContact O-CB 3.17Å; E187-A191 PolarHBondContact O-N 3.05Å |
| 188 | C | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.1 | -37.7 | 175.3 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | A138 H183 A185 P186 C192 | A138-C188 PolarHBondContact O-SG 3.28Å; H183-C188 HydrophobicContact CB-CB 3.75Å; H183-C188 WeakPolarHBondContact ND1-CB 3.36Å; H183-C188 PolarHBondContact ND1-SG 2.94Å; A185-C188 PolarHBondContact O-N 3.4Å; P186-C188 VanDerWaalsContact C-N 3.29Å; P186-C188 PolarHBondContact O-N 3.01Å; C188-C192 VanDerWaalsContact O-CB 3.27Å; C188-C192 WeakPolarHBondContact O-CB 3.43Å; C188-C192 PolarHBondContact O-N 3.2Å |
| 189 | R | 95.3 | Very high | 94 | Very high | 86 Ų | 86 | 44 Ų | 44 | 33% | 0.325 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.2 | -46.3 | 175.9 | -62.4 | -167 | -62.2 | -87.4 | 3.5 | 110.4 | S181 H183 K184 A185 P186 C192 F193 | S181-R189 VanDerWaalsContact O-CD 3.26Å; S181-R189 WeakPolarHBondContact O-CD 3.49Å; S181-R189 WeakPolarHBondContact O-CG 3.27Å; H183-R189 HydrophobicContact CB-CG 4.25Å; H183-R189 VanDerWaalsContact O-CD 3.27Å; H183-R189 WeakPolarHBondContact O-CD 3.21Å; H183-R189 VanDerWaalsContact O-CG 3.27Å; H183-R189 WeakPolarHBondContact O-CG 3.49Å; H183-R189 PolarHBondContact O-NH1 2.9Å; K184-R189 PolarHBondContact O-NH1 2.83Å; A185-R189 PolarHBondContact O-N 2.81Å; P186-R189 PolarHBondContact O-N 3.12Å; R189-C192 VanDerWaalsContact O-CB 3.31Å; R189-C192 WeakPolarHBondContact O-CB 3.42Å; R189-C192 PolarHBondContact O-N 3.06Å; R189-F193 HydrophobicContact CB-CE2 4.13Å; R189-F193 WeakPolarHBondContact O-CD2 3.37Å; R189-F193 WeakPolarHBondContact O-CE2 3.32Å; R189-F193 WeakPolarHBondContact O-CG 3.31Å; R189-F193 PolarHBondContact O-N 2.97Å |
| 190 | E | 94.7 | Very high | 94.2 | Very high | 51 Ų | 51 | 38.2 Ų | 38.2 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 178 | -166.9 | 60.3 | -144.6 | 0 | 0 | 111.7 | P186 C192 F193 Q194 R225 | P186-E190 PolarHBondContact O-N 3.43Å; E190-C192 VanDerWaalsContact C-N 3.28Å; E190-C192 PolarHBondContact O-N 2.66Å; E190-F193 PolarHBondContact O-N 3Å; E190-F193 VanDerWaalsContact O-N 3.13Å; E190-Q194 WeakPolarHBondContact O-CG 3.47Å; E190-Q194 PolarHBondContact O-N 2.74Å; E190-R225 IonicContact OE2-NE 2.79Å; E190-R225 IonicContact OE2-NH2 3.84Å |
| 191 | A | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -33.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A142 L145 R146 E187 Q194 V195 | A142-A191 WeakPolarHBondContact O-CB 3.1Å; L145-A191 HydrophobicContact CB-CB 3.6Å; L145-A191 HydrophobicContact CD1-CB 4.15Å; R146-A191 HydrophobicContact CG-CB 3.95Å; E187-A191 VanDerWaalsContact O-CB 3.28Å; E187-A191 WeakPolarHBondContact O-CB 3.17Å; E187-A191 PolarHBondContact O-N 3.05Å; A191-Q194 WeakPolarHBondContact O-CB 3.29Å; A191-Q194 PolarHBondContact O-N 2.95Å; A191-V195 WeakPolarHBondContact O-CG2 3.26Å; A191-V195 PolarHBondContact O-N 3.29Å; A191-V195 VanDerWaalsContact O-N 3.07Å |
| 192 | C | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 172 | -177.9 | 0 | 0 | 0 | 0 | 111 | L145 V177 F180 S181 C188 R189 E190 Q194 V195 F196 | L145-C192 HydrophobicContact CD1-CB 4.31Å; V177-C192 PolarHBondContact O-SG 3.43Å; F180-C192 HydrophobicContact CB-CB 3.93Å; S181-C192 PolarHBondContact N-SG 3.41Å; S181-C192 VanDerWaalsContact N-SG 3.38Å; C188-C192 VanDerWaalsContact O-CB 3.27Å; C188-C192 WeakPolarHBondContact O-CB 3.43Å; C188-C192 PolarHBondContact O-N 3.2Å; R189-C192 VanDerWaalsContact O-CB 3.31Å; R189-C192 WeakPolarHBondContact O-CB 3.42Å; R189-C192 PolarHBondContact O-N 3.06Å; E190-C192 VanDerWaalsContact C-N 3.28Å; E190-C192 PolarHBondContact O-N 2.66Å; C192-Q194 VanDerWaalsContact C-N 3.28Å; C192-Q194 PolarHBondContact O-N 3.29Å; C192-V195 WeakPolarHBondContact O-CB 3.04Å; C192-V195 PolarHBondContact O-N 3.01Å; C192-V195 VanDerWaalsContact O-N 3.11Å; C192-F196 WeakPolarHBondContact O-CD2 3.47Å; C192-F196 PolarHBondContact O-N 2.97Å; C192-F196 VanDerWaalsContact O-N 3.16Å |
| 193 | F | 96.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 31.8 Ų | 31.8 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.7 | -34.9 | 177.7 | -57.7 | -46.6 | 0 | 0 | 0 | 112.3 | R189 E190 V195 F196 A197 R222 R225 V226 V229 | R189-F193 HydrophobicContact CB-CE2 4.13Å; R189-F193 WeakPolarHBondContact O-CD2 3.37Å; R189-F193 WeakPolarHBondContact O-CE2 3.32Å; R189-F193 WeakPolarHBondContact O-CG 3.31Å; R189-F193 PolarHBondContact O-N 2.97Å; E190-F193 PolarHBondContact O-N 3Å; E190-F193 VanDerWaalsContact O-N 3.13Å; F193-V195 VanDerWaalsContact C-N 3.35Å; F193-V195 PolarHBondContact O-N 3.39Å; F193-F196 PolarHBondContact O-N 3.32Å; F193-A197 WeakPolarHBondContact O-CB 3.38Å; F193-A197 PolarHBondContact O-N 3.21Å; F193-R222 HydrophobicContact CE1-CB 3.92Å; F193-R222 HydrophobicContact CE1-CG 3.99Å; F193-R222 HydrophobicContact CZ-CB 4.42Å; F193-R222 HydrophobicContact CZ-CG 4.04Å; F193-R225 HydrophobicContact CD2-CB 4.3Å; F193-R225 HydrophobicContact CD2-CG 3.55Å; F193-R225 HydrophobicContact CE2-CB 4.38Å; F193-R225 HydrophobicContact CE2-CG 3.75Å; F193-R225 HydrophobicContact CG-CB 4.39Å; F193-R225 HydrophobicContact CG-CG 4.02Å; F193-R225 HydrophobicContact CZ-CG 4.37Å; F193-V226 HydrophobicContact CB-CG2 4.38Å; F193-V226 HydrophobicContact CD1-CG2 3.92Å; F193-V229 HydrophobicContact CB-CG2 4.17Å |
| 194 | Q | 96.6 | Very high | 93.6 | Very high | 52 Ų | 52 | 33.5 Ų | 33.5 | 24% | 0.243 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 171.1 | -69.2 | 175.7 | -12.1 | 0 | 0 | 112.3 | A149 E190 A191 C192 A197 A198 V229 | A149-Q194 HydrophobicContact CB-CB 4.01Å; E190-Q194 WeakPolarHBondContact O-CG 3.47Å; E190-Q194 PolarHBondContact O-N 2.74Å; A191-Q194 WeakPolarHBondContact O-CB 3.29Å; A191-Q194 PolarHBondContact O-N 2.95Å; C192-Q194 VanDerWaalsContact C-N 3.28Å; C192-Q194 PolarHBondContact O-N 3.29Å; Q194-A197 PolarHBondContact O-N 2.95Å; Q194-A198 WeakPolarHBondContact O-CB 3.41Å; Q194-A198 PolarHBondContact O-N 3.44Å; Q194-V229 HydrophobicContact CB-CG1 4.29Å; Q194-V229 HydrophobicContact CG-CG1 3.68Å |
| 195 | V | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 175.9 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | L145 L148 A149 F152 L174 V177 A191 C192 F193 A198 N199 | L145-V195 HydrophobicContact CB-CG2 4.12Å; L145-V195 HydrophobicContact CD2-CG2 4.09Å; L145-V195 WeakPolarHBondContact O-CG2 3.27Å; L148-V195 HydrophobicContact CB-CG2 4.2Å; L148-V195 HydrophobicContact CD2-CG1 3.98Å; L148-V195 HydrophobicContact CD2-CG2 4.27Å; L148-V195 HydrophobicContact CG-CG1 4.39Å; L148-V195 HydrophobicContact CG-CG2 4.47Å; A149-V195 HydrophobicContact CB-CG2 4.1Å; F152-V195 HydrophobicContact CE2-CG1 4.39Å; L174-V195 HydrophobicContact CD2-CG1 4.15Å; V177-V195 HydrophobicContact CG1-CB 4.26Å; V177-V195 HydrophobicContact CG1-CG1 4.13Å; A191-V195 WeakPolarHBondContact O-CG2 3.26Å; A191-V195 PolarHBondContact O-N 3.29Å; A191-V195 VanDerWaalsContact O-N 3.07Å; C192-V195 WeakPolarHBondContact O-CB 3.04Å; C192-V195 PolarHBondContact O-N 3.01Å; C192-V195 VanDerWaalsContact O-N 3.11Å; F193-V195 VanDerWaalsContact C-N 3.35Å; F193-V195 PolarHBondContact O-N 3.39Å; V195-A198 PolarHBondContact O-N 3.38Å; V195-N199 VanDerWaalsContact O-CB 3.27Å; V195-N199 WeakPolarHBondContact O-CB 3.13Å; V195-N199 PolarHBondContact O-N 3.04Å |
| 196 | F | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.4 | -84.7 | -94.8 | 0 | 0 | 0 | 111.6 | L174 V177 A178 C192 F193 N199 R200 F210 I214 L218 V226 | L174-F196 HydrophobicContact CB-CE1 4.1Å; L174-F196 HydrophobicContact CB-CZ 4.21Å; L174-F196 HydrophobicContact CD1-CD1 4.24Å; L174-F196 HydrophobicContact CD1-CE1 4.23Å; L174-F196 HydrophobicContact CD2-CD1 3.96Å; L174-F196 HydrophobicContact CD2-CD2 4.25Å; L174-F196 HydrophobicContact CD2-CE1 4.03Å; L174-F196 HydrophobicContact CD2-CE2 4.31Å; L174-F196 HydrophobicContact CD2-CG 4.08Å; L174-F196 HydrophobicContact CD2-CZ 4.2Å; L174-F196 HydrophobicContact CG-CE1 4.36Å; V177-F196 HydrophobicContact CG1-CE2 4.35Å; A178-F196 HydrophobicContact CB-CZ 4.03Å; C192-F196 WeakPolarHBondContact O-CD2 3.47Å; C192-F196 PolarHBondContact O-N 2.97Å; C192-F196 VanDerWaalsContact O-N 3.16Å; F193-F196 PolarHBondContact O-N 3.32Å; F196-N199 PolarHBondContact O-N 3.37Å; F196-R200 PolarHBondContact O-N 3.42Å; F196-F210 HydrophobicContact CB-CE1 4.39Å; F196-F210 HydrophobicContact CB-CZ 4.43Å; F196-F210 HydrophobicContact CD1-CE1 4.15Å; F196-F210 HydrophobicContact CD1-CZ 4.09Å; F196-F210 WeakPolarHBondContact O-CZ 3.1Å; F196-I214 HydrophobicContact CD1-CD1 4.24Å; F196-I214 HydrophobicContact CD1-CG2 3.98Å; F196-I214 HydrophobicContact CE1-CB 4.21Å; F196-I214 HydrophobicContact CE1-CD1 4.48Å; F196-I214 HydrophobicContact CE1-CG2 3.8Å; F196-L218 HydrophobicContact CD1-CD1 3.69Å; F196-L218 HydrophobicContact CD2-CD1 4.16Å; F196-L218 HydrophobicContact CE1-CD1 3.7Å; F196-L218 HydrophobicContact CE1-CG 4.14Å; F196-L218 HydrophobicContact CE2-CD1 4.18Å; F196-L218 HydrophobicContact CG-CD1 3.93Å; F196-L218 HydrophobicContact CZ-CD1 3.96Å; F196-L218 HydrophobicContact CZ-CD2 4.46Å; F196-L218 HydrophobicContact CZ-CG 4.15Å; F196-V226 HydrophobicContact CB-CB 4.42Å; F196-V226 HydrophobicContact CB-CG1 3.77Å; F196-V226 HydrophobicContact CB-CG2 3.68Å; F196-V226 HydrophobicContact CG-CG2 4.3Å |
| 197 | A | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.7 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | F193 Q194 N199 R200 I201 V226 V229 F230 L233 | F193-A197 WeakPolarHBondContact O-CB 3.38Å; F193-A197 PolarHBondContact O-N 3.21Å; Q194-A197 PolarHBondContact O-N 2.95Å; A197-N199 VanDerWaalsContact C-N 3.34Å; A197-N199 PolarHBondContact O-N 2.94Å; A197-R200 WeakPolarHBondContact O-CB 3.46Å; A197-R200 PolarHBondContact O-N 3.32Å; A197-I201 WeakPolarHBondContact O-CG1 3.05Å; A197-I201 PolarHBondContact O-N 3.17Å; A197-I201 VanDerWaalsContact O-N 3.13Å; A197-V226 HydrophobicContact CB-CG1 4.26Å; A197-V229 HydrophobicContact CB-CB 4.12Å; A197-V229 HydrophobicContact CB-CG1 3.83Å; A197-F230 HydrophobicContact CB-CB 3.95Å; A197-L233 HydrophobicContact CB-CD1 3.8Å |
| 198 | A | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A149 F152 Q194 V195 R200 I201 F202 L233 | A149-A198 HydrophobicContact CB-CB 3.98Å; A149-A198 VanDerWaalsContact O-CB 3.31Å; A149-A198 WeakPolarHBondContact O-CB 3.41Å; F152-A198 HydrophobicContact CB-CB 3.77Å; Q194-A198 WeakPolarHBondContact O-CB 3.41Å; Q194-A198 PolarHBondContact O-N 3.44Å; V195-A198 PolarHBondContact O-N 3.38Å; A198-R200 VanDerWaalsContact C-N 3.31Å; A198-R200 PolarHBondContact O-N 2.86Å; A198-I201 WeakPolarHBondContact O-CB 3.45Å; A198-I201 PolarHBondContact O-N 3.43Å; A198-I201 VanDerWaalsContact O-N 3.17Å; A198-F202 PolarHBondContact O-N 3.43Å; A198-L233 HydrophobicContact CB-CD1 4.32Å |
| 199 | N | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67 | -33.6 | 176.4 | -164.4 | -93.8 | 0 | 0 | 0 | 112.3 | F152 S170 L174 V195 F196 A197 I201 F202 L203 | F152-N199 HydrophobicContact CD2-CB 4.34Å; F152-N199 WeakPolarHBondContact CE1-ND2 3.49Å; F152-N199 VanDerWaalsContact CZ-ND2 3.29Å; F152-N199 WeakPolarHBondContact CZ-ND2 3.28Å; S170-N199 VanDerWaalsContact CB-OD1 3.22Å; S170-N199 WeakPolarHBondContact CB-OD1 3.46Å; S170-N199 PolarHBondContact OG-ND2 3.14Å; S170-N199 PolarHBondContact OG-OD1 3.07Å; L174-N199 HydrophobicContact CD1-CB 4.25Å; L174-N199 WeakPolarHBondContact CD1-OD1 3.26Å; L174-N199 HydrophobicContact CD2-CB 4.01Å; L174-N199 HydrophobicContact CG-CB 4.46Å; V195-N199 VanDerWaalsContact O-CB 3.27Å; V195-N199 WeakPolarHBondContact O-CB 3.13Å; V195-N199 PolarHBondContact O-N 3.04Å; F196-N199 PolarHBondContact O-N 3.37Å; A197-N199 VanDerWaalsContact C-N 3.34Å; A197-N199 PolarHBondContact O-N 2.94Å; N199-I201 VanDerWaalsContact C-N 3.33Å; N199-F202 WeakPolarHBondContact O-CB 3.34Å; N199-F202 PolarHBondContact O-N 3.23Å; N199-L203 WeakPolarHBondContact O-CG 3.49Å; N199-L203 PolarHBondContact O-N 3.09Å; N199-L203 WeakPolarHBondContact OD1-CD1 3.42Å |
| 200 | R | 93.7 | Very high | 92.5 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 9% | 0.087 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 170.8 | 179.7 | 176.6 | 163.9 | -167.8 | -8.5 | 112 | F196 A197 A198 L203 D204 F205 S207 F210 D227 F230 | F196-R200 PolarHBondContact O-N 3.42Å; A197-R200 WeakPolarHBondContact O-CB 3.46Å; A197-R200 PolarHBondContact O-N 3.32Å; A198-R200 VanDerWaalsContact C-N 3.31Å; A198-R200 PolarHBondContact O-N 2.86Å; R200-L203 PolarHBondContact O-N 3.45Å; R200-D204 PolarHBondContact O-N 2.84Å; R200-F205 WeakPolarHBondContact CG-O 3.38Å; R200-F205 PolarHBondContact NE-O 2.92Å; R200-F205 VanDerWaalsContact NE-O 3.1Å; R200-F205 PolarHBondContact O-N 3.37Å; R200-S207 VanDerWaalsContact CZ-CA 3.46Å; R200-S207 VanDerWaalsContact NH2-N 3.14Å; R200-F210 HydrophobicContact CB-CB 4.47Å; R200-F210 HydrophobicContact CB-CD1 3.98Å; R200-F210 HydrophobicContact CB-CD2 3.7Å; R200-F210 HydrophobicContact CB-CE1 4.07Å; R200-F210 HydrophobicContact CB-CE2 3.82Å; R200-F210 HydrophobicContact CB-CG 3.78Å; R200-F210 HydrophobicContact CB-CZ 4Å; R200-F210 HydrophobicContact CG-CB 3.94Å; R200-F210 HydrophobicContact CG-CD1 4.23Å; R200-F210 HydrophobicContact CG-CD2 4.02Å; R200-F210 HydrophobicContact CG-CG 3.79Å; R200-D227 IonicContact CZ-OD1 2.7Å; R200-D227 IonicContact NH1-OD1 2.63Å; R200-D227 PolarHBondContact NH1-OD1 2.87Å; R200-F230 HydrophobicContact CB-CD2 4.09Å; R200-F230 HydrophobicContact CB-CE2 4.29Å; R200-F230 HydrophobicContact CG-CD2 3.92Å; R200-F230 HydrophobicContact CG-CE2 3.79Å |
| 201 | I | 91.1 | Very high | 92.1 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 5% | 0.046 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 172.5 | -62.7 | 168.9 | 0 | 0 | 0 | 109.7 | R158 A197 A198 N199 L203 D204 F230 L233 I237 | R158-I201 PolarHBondContact NE-O 3.04Å; R158-I201 PolarHBondContact NH1-O 3.45Å; R158-I201 PolarHBondContact NH2-O 2.88Å; R158-I201 VanDerWaalsContact NH2-O 3.16Å; A197-I201 WeakPolarHBondContact O-CG1 3.05Å; A197-I201 PolarHBondContact O-N 3.17Å; A197-I201 VanDerWaalsContact O-N 3.13Å; A198-I201 WeakPolarHBondContact O-CB 3.45Å; A198-I201 PolarHBondContact O-N 3.43Å; A198-I201 VanDerWaalsContact O-N 3.17Å; N199-I201 VanDerWaalsContact C-N 3.33Å; I201-L203 PolarHBondContact O-N 3.45Å; I201-D204 PolarHBondContact O-N 2.84Å; I201-D204 VanDerWaalsContact O-N 3.16Å; I201-F230 HydrophobicContact CD1-CD2 4.33Å; I201-F230 HydrophobicContact CD1-CE2 4.41Å; I201-F230 HydrophobicContact CG1-CD2 3.72Å; I201-F230 HydrophobicContact CG1-CE2 3.47Å; I201-F230 VanDerWaalsContact CG1-CE2 3.47Å; I201-L233 HydrophobicContact CD1-CB 3.82Å; I201-I237 HydrophobicContact CD1-CD1 3.89Å; I201-I237 HydrophobicContact CG2-CD1 4.24Å |
| 202 | F | 91.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.6 | -29.9 | 178.7 | 177.4 | -116.1 | 0 | 0 | 0 | 113.4 | F152 L157 R166 A198 N199 | F152-F202 HydrophobicContact CB-CB 4.15Å; F152-F202 HydrophobicContact CD1-CB 3.85Å; F152-F202 AromaticContact CD1-CD1 3.61Å; F152-F202 HydrophobicContact CD1-CD1 3.61Å; F152-F202 HydrophobicContact CD1-CD2 4.05Å; F152-F202 HydrophobicContact CD1-CE1 4.08Å; F152-F202 HydrophobicContact CD1-CE2 4.49Å; F152-F202 AromaticContact CD1-CG 3.56Å; F152-F202 HydrophobicContact CD1-CG 3.56Å; F152-F202 HydrophobicContact CD1-CZ 4.48Å; F152-F202 AromaticContact CE1-CD1 3.72Å; F152-F202 HydrophobicContact CE1-CD1 3.72Å; F152-F202 AromaticContact CE1-CE1 3.84Å; F152-F202 HydrophobicContact CE1-CE1 3.84Å; F152-F202 HydrophobicContact CE1-CG 4.16Å; F152-F202 HydrophobicContact CE1-CZ 4.4Å; F152-F202 HydrophobicContact CG-CB 4.32Å; F152-F202 HydrophobicContact CG-CG 4.49Å; L157-F202 HydrophobicContact CB-CE2 4.36Å; L157-F202 HydrophobicContact CD2-CD2 4.27Å; L157-F202 HydrophobicContact CD2-CE2 3.65Å; L157-F202 HydrophobicContact CD2-CZ 4.15Å; L157-F202 HydrophobicContact CG-CE2 3.79Å; L157-F202 HydrophobicContact CG-CZ 4.41Å; R166-F202 HydrophobicContact CB-CD1 4.23Å; R166-F202 HydrophobicContact CB-CE1 3.51Å; R166-F202 HydrophobicContact CB-CZ 3.79Å; R166-F202 WeakPolarHBondContact CD-O 3.47Å; R166-F202 HydrophobicContact CG-CE1 3.67Å; R166-F202 HydrophobicContact CG-CE2 3.95Å; R166-F202 HydrophobicContact CG-CZ 3.36Å; R166-F202 PolarHBondContact NH1-O 3.17Å; A198-F202 PolarHBondContact O-N 3.43Å; N199-F202 WeakPolarHBondContact O-CB 3.34Å; N199-F202 PolarHBondContact O-N 3.23Å |
| 203 | L | 90.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -90.4 | -8.8 | -179.9 | -69.9 | 176.6 | 0 | 0 | 0 | 114.7 | L163 R166 L167 N199 R200 I201 F205 F210 I213 | L163-L203 HydrophobicContact CD1-CD2 4.46Å; L163-L203 VanDerWaalsContact CD1-O 3.3Å; L163-L203 WeakPolarHBondContact CD1-O 3.48Å; R166-L203 HydrophobicContact CB-CD2 3.9Å; L167-L203 HydrophobicContact CD1-CD2 4.34Å; N199-L203 WeakPolarHBondContact O-CG 3.49Å; N199-L203 PolarHBondContact O-N 3.09Å; N199-L203 WeakPolarHBondContact OD1-CD1 3.42Å; R200-L203 PolarHBondContact O-N 3.45Å; I201-L203 PolarHBondContact O-N 3.45Å; L203-F205 VanDerWaalsContact C-N 3.32Å; L203-F205 HydrophobicContact CB-CB 4.32Å; L203-F205 HydrophobicContact CB-CD1 3.91Å; L203-F205 HydrophobicContact CB-CD2 4.44Å; L203-F205 HydrophobicContact CB-CE1 4.34Å; L203-F205 HydrophobicContact CB-CG 3.95Å; L203-F205 WeakPolarHBondContact O-CD1 3.29Å; L203-F205 VanDerWaalsContact O-CE1 3.29Å; L203-F205 WeakPolarHBondContact O-CE1 3.11Å; L203-F210 HydrophobicContact CD1-CD2 4.27Å; L203-F210 HydrophobicContact CD1-CE2 4.21Å; L203-I213 HydrophobicContact CD1-CD1 4.09Å |
| 204 | D | 87.5 | Confident | 90.3 | Very high | 85 Ų | 85 | 33.9 Ų | 33.9 | 46% | 0.455 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 29.3 | -171.5 | -64 | -90.6 | 0 | 0 | 0 | 114.2 | R158 R166 R200 I201 | R158-D204 IonicContact CZ-OD1 2.84Å; R158-D204 IonicContact CZ-OD2 2.63Å; R158-D204 IonicContact NE-OD1 3.62Å; R158-D204 PolarHBondContact NE-OD1 3.31Å; R158-D204 IonicContact NE-OD2 3.81Å; R158-D204 PolarHBondContact NE-OD2 3.18Å; R158-D204 IonicContact NH2-OD1 3.68Å; R158-D204 PolarHBondContact NH2-OD1 3.41Å; R158-D204 IonicContact NH2-OD2 3.59Å; R166-D204 IonicContact CZ-OD2 2.6Å; R166-D204 IonicContact NH1-OD2 3.31Å; R166-D204 PolarHBondContact NH1-OD2 2.89Å; R166-D204 IonicContact NH2-OD2 3.38Å; R200-D204 PolarHBondContact O-N 2.84Å; I201-D204 PolarHBondContact O-N 2.84Å; I201-D204 VanDerWaalsContact O-N 3.16Å |
| 205 | F | 90.4 | Very high | 89.5 | Confident | 39 Ų | 39 | 35.5 Ų | 35.5 | 17% | 0.171 | 20% | 0.196 | C | C | . | . | trans | -99.6 | 142.3 | -167.8 | -83.2 | 22 | 0 | 0 | 0 | 114.5 | L163 L167 R200 L203 Q209 F210 I213 | L163-F205 HydrophobicContact CD1-CE1 4.09Å; L163-F205 HydrophobicContact CD2-CE1 4.38Å; L167-F205 HydrophobicContact CD1-CE2 4.23Å; L167-F205 HydrophobicContact CD1-CZ 3.69Å; R200-F205 WeakPolarHBondContact CG-O 3.38Å; R200-F205 PolarHBondContact NE-O 2.92Å; R200-F205 VanDerWaalsContact NE-O 3.1Å; R200-F205 PolarHBondContact O-N 3.37Å; L203-F205 VanDerWaalsContact C-N 3.32Å; L203-F205 HydrophobicContact CB-CB 4.32Å; L203-F205 HydrophobicContact CB-CD1 3.91Å; L203-F205 HydrophobicContact CB-CD2 4.44Å; L203-F205 HydrophobicContact CB-CE1 4.34Å; L203-F205 HydrophobicContact CB-CG 3.95Å; L203-F205 WeakPolarHBondContact O-CD1 3.29Å; L203-F205 VanDerWaalsContact O-CE1 3.29Å; L203-F205 WeakPolarHBondContact O-CE1 3.11Å; F205-Q209 HydrophobicContact CB-CB 4.01Å; F205-Q209 HydrophobicContact CD2-CB 3.61Å; F205-Q209 HydrophobicContact CE2-CB 4.16Å; F205-Q209 HydrophobicContact CG-CB 3.89Å; F205-F210 HydrophobicContact CB-CB 4.14Å; F205-I213 HydrophobicContact CD2-CD1 3.76Å; F205-I213 HydrophobicContact CE2-CD1 3.21Å; F205-I213 HydrophobicContact CE2-CG1 4.08Å; F205-I213 HydrophobicContact CZ-CD1 4.1Å | ||
| 206 | T | 87 | Confident | 88.7 | Confident | 72 Ų | 72 | 42.8 Ų | 42.8 | 44% | 0.442 | 24% | 0.235 | S | C | . | . | trans | -67.4 | 165.4 | 166 | 71.8 | 0 | 0 | 0 | 0 | 110.9 | E208 Q209 F210 | T206-E208 VanDerWaalsContact C-N 3.26Å; T206-E208 PolarHBondContact O-N 3.27Å; T206-Q209 PolarHBondContact O-N 3.04Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.4Å; T206-Q209 PolarHBondContact OG1-N 2.84Å; T206-Q209 PolarHBondContact OG1-OE1 2.84Å; T206-F210 WeakPolarHBondContact O-CB 3.4Å; T206-F210 PolarHBondContact O-N 3.48Å | ||
| 207 | S | 85.7 | Confident | 88.3 | Confident | 38 Ų | 38 | 45 Ų | 45 | 27% | 0.266 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.2 | -38.9 | 179.9 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | R200 S211 D227 | R200-S207 VanDerWaalsContact CZ-CA 3.46Å; R200-S207 VanDerWaalsContact NH2-N 3.14Å; S207-S211 WeakPolarHBondContact O-CB 3.46Å; S207-S211 PolarHBondContact O-N 2.72Å; S207-S211 PolarHBondContact O-OG 3.49Å; S207-D227 PolarHBondContact OG-OD1 3.42Å |
| 208 | E | 84.2 | Confident | 88 | Confident | 164 Ų | 164 | 45.2 Ų | 45.2 | 77% | 0.766 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64.8 | -48.6 | 176.8 | -64.3 | 178.6 | -177.4 | 0 | 0 | 112.1 | T206 F210 S211 A212 | T206-E208 VanDerWaalsContact C-N 3.26Å; T206-E208 PolarHBondContact O-N 3.27Å; E208-F210 VanDerWaalsContact C-N 3.34Å; E208-F210 PolarHBondContact O-N 3.5Å; E208-S211 PolarHBondContact O-N 2.99Å; E208-A212 PolarHBondContact O-N 3.29Å; E208-A212 VanDerWaalsContact O-N 3.11Å |
| 209 | Q | 88.1 | Confident | 87.6 | Confident | 94 Ų | 94 | 48.5 Ų | 48.5 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 178.7 | -71.1 | 173.8 | -33.4 | 0 | 0 | 111.8 | F205 T206 A212 | F205-Q209 HydrophobicContact CB-CB 4.01Å; F205-Q209 HydrophobicContact CD2-CB 3.61Å; F205-Q209 HydrophobicContact CE2-CB 4.16Å; F205-Q209 HydrophobicContact CG-CB 3.89Å; T206-Q209 PolarHBondContact O-N 3.04Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.4Å; T206-Q209 PolarHBondContact OG1-N 2.84Å; T206-Q209 PolarHBondContact OG1-OE1 2.84Å; Q209-A212 PolarHBondContact O-N 3.24Å |
| 210 | F | 92.4 | Very high | 87.2 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 2% | 0.022 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.9 | -43.3 | 178.6 | -169.8 | -110.7 | 0 | 0 | 0 | 111.1 | L174 F196 R200 L203 F205 T206 E208 A212 I213 I214 V226 | L174-F210 HydrophobicContact CD1-CE2 4.11Å; L174-F210 HydrophobicContact CD1-CZ 3.96Å; F196-F210 HydrophobicContact CB-CE1 4.39Å; F196-F210 HydrophobicContact CB-CZ 4.43Å; F196-F210 HydrophobicContact CD1-CE1 4.15Å; F196-F210 HydrophobicContact CD1-CZ 4.09Å; F196-F210 WeakPolarHBondContact O-CZ 3.1Å; R200-F210 HydrophobicContact CB-CB 4.47Å; R200-F210 HydrophobicContact CB-CD1 3.98Å; R200-F210 HydrophobicContact CB-CD2 3.7Å; R200-F210 HydrophobicContact CB-CE1 4.07Å; R200-F210 HydrophobicContact CB-CE2 3.82Å; R200-F210 HydrophobicContact CB-CG 3.78Å; R200-F210 HydrophobicContact CB-CZ 4Å; R200-F210 HydrophobicContact CG-CB 3.94Å; R200-F210 HydrophobicContact CG-CD1 4.23Å; R200-F210 HydrophobicContact CG-CD2 4.02Å; R200-F210 HydrophobicContact CG-CG 3.79Å; L203-F210 HydrophobicContact CD1-CD2 4.27Å; L203-F210 HydrophobicContact CD1-CE2 4.21Å; F205-F210 HydrophobicContact CB-CB 4.14Å; T206-F210 WeakPolarHBondContact O-CB 3.4Å; T206-F210 PolarHBondContact O-N 3.48Å; E208-F210 VanDerWaalsContact C-N 3.34Å; E208-F210 PolarHBondContact O-N 3.5Å; F210-A212 PolarHBondContact O-N 2.85Å; F210-I213 WeakPolarHBondContact O-CB 3.49Å; F210-I213 PolarHBondContact O-N 3.35Å; F210-I214 HydrophobicContact CD1-CD1 3.99Å; F210-I214 HydrophobicContact CD1-CG1 4.36Å; F210-I214 HydrophobicContact CD1-CG2 4.47Å; F210-I214 HydrophobicContact CE1-CD1 3.8Å; F210-I214 HydrophobicContact CE1-CG1 4.38Å; F210-I214 HydrophobicContact CE1-CG2 3.96Å; F210-I214 HydrophobicContact CE2-CG2 4.24Å; F210-I214 HydrophobicContact CZ-CG2 3.82Å; F210-I214 WeakPolarHBondContact O-CG1 3.46Å; F210-I214 PolarHBondContact O-N 3.43Å; F210-I214 VanDerWaalsContact O-N 3.13Å; F210-V226 HydrophobicContact CE1-CG1 4.27Å |
| 211 | S | 86.2 | Confident | 86.8 | Confident | 29 Ų | 29 | 59.2 Ų | 59.2 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.6 | -36.8 | 176.3 | -68.7 | 0 | 0 | 0 | 0 | 112.7 | S207 E208 I213 I214 D215 | S207-S211 WeakPolarHBondContact O-CB 3.46Å; S207-S211 PolarHBondContact O-N 2.72Å; S207-S211 PolarHBondContact O-OG 3.49Å; E208-S211 PolarHBondContact O-N 2.99Å; S211-I213 VanDerWaalsContact C-N 3.3Å; S211-I213 PolarHBondContact O-N 2.86Å; S211-I214 PolarHBondContact O-N 3.49Å; S211-D215 PolarHBondContact O-N 3.34Å |
| 212 | A | 84.8 | Confident | 86.8 | Confident | 76 Ų | 76 | 61.7 Ų | 61.7 | 63% | 0.628 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.1 | -28.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E208 Q209 F210 | E208-A212 PolarHBondContact O-N 3.29Å; E208-A212 VanDerWaalsContact O-N 3.11Å; Q209-A212 PolarHBondContact O-N 3.24Å; F210-A212 PolarHBondContact O-N 2.85Å |
| 213 | I | 82 | Confident | 86.8 | Confident | 23 Ų | 23 | 64.2 Ų | 64.2 | 12% | 0.118 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -78.4 | -40.9 | 177.2 | -70.8 | -173.3 | 0 | 0 | 0 | 111.7 | L167 K171 L203 F205 F210 S211 D215 | L167-I213 HydrophobicContact CD1-CD1 3.92Å; L167-I213 HydrophobicContact CD2-CD1 4.24Å; L167-I213 HydrophobicContact CG-CD1 4.04Å; K171-I213 HydrophobicContact CG-CG2 3.84Å; L203-I213 HydrophobicContact CD1-CD1 4.09Å; F205-I213 HydrophobicContact CD2-CD1 3.76Å; F205-I213 HydrophobicContact CE2-CD1 3.21Å; F205-I213 HydrophobicContact CE2-CG1 4.08Å; F205-I213 HydrophobicContact CZ-CD1 4.1Å; F210-I213 WeakPolarHBondContact O-CB 3.49Å; F210-I213 PolarHBondContact O-N 3.35Å; S211-I213 VanDerWaalsContact C-N 3.3Å; S211-I213 PolarHBondContact O-N 2.86Å; I213-D215 PolarHBondContact O-N 3.38Å |
| 214 | I | 86.9 | Confident | 86.7 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -91.7 | 17.4 | -175.9 | 65.1 | 163 | 0 | 0 | 0 | 112.6 | L174 F196 F210 S211 N216 M217 L218 R223 | L174-I214 HydrophobicContact CD1-CG2 3.84Å; F196-I214 HydrophobicContact CD1-CD1 4.24Å; F196-I214 HydrophobicContact CD1-CG2 3.98Å; F196-I214 HydrophobicContact CE1-CB 4.21Å; F196-I214 HydrophobicContact CE1-CD1 4.48Å; F196-I214 HydrophobicContact CE1-CG2 3.8Å; F210-I214 HydrophobicContact CD1-CD1 3.99Å; F210-I214 HydrophobicContact CD1-CG1 4.36Å; F210-I214 HydrophobicContact CD1-CG2 4.47Å; F210-I214 HydrophobicContact CE1-CD1 3.8Å; F210-I214 HydrophobicContact CE1-CG1 4.38Å; F210-I214 HydrophobicContact CE1-CG2 3.96Å; F210-I214 HydrophobicContact CE2-CG2 4.24Å; F210-I214 HydrophobicContact CZ-CG2 3.82Å; F210-I214 WeakPolarHBondContact O-CG1 3.46Å; F210-I214 PolarHBondContact O-N 3.43Å; F210-I214 VanDerWaalsContact O-N 3.13Å; S211-I214 PolarHBondContact O-N 3.49Å; I214-N216 PolarHBondContact O-N 3.05Å; I214-M217 HydrophobicContact CB-CB 4.4Å; I214-M217 HydrophobicContact CB-SD 4.26Å; I214-M217 HydrophobicContact CG2-SD 4.33Å; I214-M217 VanDerWaalsContact O-CB 3.3Å; I214-M217 WeakPolarHBondContact O-CB 3.3Å; I214-M217 PolarHBondContact O-N 3.11Å; I214-L218 HydrophobicContact CD1-CD1 4.18Å; I214-R223 HydrophobicContact CD1-CG 4.18Å |
| 215 | D | 78.8 | Confident | 86.9 | Confident | 86 Ų | 86 | 71.3 Ų | 71.3 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 135.7 | -176.7 | -157.7 | 27.9 | 0 | 0 | 0 | 110.5 | S211 I213 M217 R223 | S211-D215 PolarHBondContact O-N 3.34Å; I213-D215 PolarHBondContact O-N 3.38Å; D215-M217 PolarHBondContact O-N 3.49Å; D215-R223 IonicContact OD1-CZ 2.71Å; D215-R223 IonicContact OD1-NH1 2.64Å; D215-R223 IonicContact OD1-NH2 3.71Å; D215-R223 PolarHBondContact OD1-NH2 3.39Å |
| 216 | N | 79.8 | Confident | 87.1 | Confident | 152 Ų | 152 | 69.6 Ų | 69.6 | 81% | 0.813 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | -4 | -168 | -47.8 | -60.7 | 0 | 0 | 0 | 117.4 | I214 | I214-N216 PolarHBondContact O-N 3.05Š|
| 217 | M | 88.8 | Confident | 87.3 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -37 | 176.9 | -57.2 | -174.1 | -176.2 | 0 | 0 | 112.8 | L174 A178 I214 D215 | L174-M217 HydrophobicContact CB-SD 4.15Å; A178-M217 HydrophobicContact CB-CB 4.23Å; I214-M217 HydrophobicContact CB-CB 4.4Å; I214-M217 HydrophobicContact CB-SD 4.26Å; I214-M217 HydrophobicContact CG2-SD 4.33Å; I214-M217 VanDerWaalsContact O-CB 3.3Å; I214-M217 WeakPolarHBondContact O-CB 3.3Å; I214-M217 PolarHBondContact O-N 3.11Å; D215-M217 PolarHBondContact O-N 3.49Å |
| 218 | L | 89.1 | Confident | 87.6 | Confident | 6 Ų | 6 | 68.4 Ų | 68.4 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -132.8 | 141.3 | -178.9 | -63.1 | 177.8 | 0 | 0 | 0 | 110.6 | S181 F196 I214 R222 R223 V226 | S181-L218 WeakPolarHBondContact OG-CD2 3.34Å; F196-L218 HydrophobicContact CD1-CD1 3.69Å; F196-L218 HydrophobicContact CD2-CD1 4.16Å; F196-L218 HydrophobicContact CE1-CD1 3.7Å; F196-L218 HydrophobicContact CE1-CG 4.14Å; F196-L218 HydrophobicContact CE2-CD1 4.18Å; F196-L218 HydrophobicContact CG-CD1 3.93Å; F196-L218 HydrophobicContact CZ-CD1 3.96Å; F196-L218 HydrophobicContact CZ-CD2 4.46Å; F196-L218 HydrophobicContact CZ-CG 4.15Å; I214-L218 HydrophobicContact CD1-CD1 4.18Å; L218-R222 HydrophobicContact CB-CB 4.15Å; L218-R222 HydrophobicContact CD2-CB 4.2Å; L218-R223 HydrophobicContact CB-CG 4.06Å; L218-R223 PolarHBondContact O-NE 2.76Å; L218-R223 PolarHBondContact O-NH2 2.81Å; L218-V226 HydrophobicContact CD1-CG2 3.86Å |
| 219 | D | 88 | Confident | 88.1 | Confident | 69 Ų | 69 | 60.8 Ų | 60.8 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | trans | -73.3 | 165.8 | 169.5 | 58.3 | 35.2 | 0 | 0 | 0 | 111.3 | S221 R222 R223 | D219-S221 VanDerWaalsContact C-N 3.3Å; D219-S221 PolarHBondContact O-N 3.33Å; D219-R222 PolarHBondContact O-N 3.37Å; D219-R222 VanDerWaalsContact O-N 3.15Å; D219-R222 VanDerWaalsContact OD1-CB 3.25Å; D219-R222 WeakPolarHBondContact OD1-CB 3.34Å; D219-R222 WeakPolarHBondContact OD1-CD 3.27Å; D219-R222 WeakPolarHBondContact OD1-CG 3.09Å; D219-R222 PolarHBondContact OD1-N 2.88Å; D219-R222 IonicContact OD1-NE 2.93Å; D219-R222 IonicContact OD2-CZ 3.53Å; D219-R222 IonicContact OD2-NE 2.86Å; D219-R222 PolarHBondContact OD2-NE 3.32Å; D219-R222 IonicContact OD2-NH1 2.83Å; D219-R222 PolarHBondContact OD2-NH1 2.88Å; D219-R222 IonicContact OD2-NH2 3.29Å; D219-R222 PolarHBondContact OD2-NH2 3.16Å; D219-R223 WeakPolarHBondContact O-CG 3.35Å; D219-R223 PolarHBondContact O-N 3.12Å | ||
| 220 | E | 84.8 | Confident | 88.4 | Confident | 155 Ų | 155 | 57.7 Ų | 57.7 | 72% | 0.724 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.8 | -39.9 | -175 | -169.2 | 171.6 | -171.4 | 0 | 0 | 112.8 | R222 R223 L224 | E220-R222 VanDerWaalsContact C-N 3.34Å; E220-R222 PolarHBondContact O-N 3.44Å; E220-R223 PolarHBondContact O-N 3.08Å; E220-L224 WeakPolarHBondContact O-CG 3.3Å; E220-L224 PolarHBondContact O-N 3.46Å |
| 221 | S | 85.6 | Confident | 88.2 | Confident | 93 Ų | 93 | 62.5 Ų | 62.5 | 65% | 0.65 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.5 | -42.2 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | D219 R225 | D219-S221 VanDerWaalsContact C-N 3.3Å; D219-S221 PolarHBondContact O-N 3.33Å; S221-R225 PolarHBondContact O-N 2.87Å |
| 222 | R | 92.2 | Very high | 88.3 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 23% | 0.226 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -73.1 | -33.7 | 175.8 | -69.7 | 170 | -162.2 | 146.1 | 13.1 | 112.3 | Q182 F193 L218 D219 E220 L224 R225 V226 | Q182-R222 VanDerWaalsContact CG-CZ 3.49Å; F193-R222 HydrophobicContact CE1-CB 3.92Å; F193-R222 HydrophobicContact CE1-CG 3.99Å; F193-R222 HydrophobicContact CZ-CB 4.42Å; F193-R222 HydrophobicContact CZ-CG 4.04Å; L218-R222 HydrophobicContact CB-CB 4.15Å; L218-R222 HydrophobicContact CD2-CB 4.2Å; D219-R222 PolarHBondContact O-N 3.37Å; D219-R222 VanDerWaalsContact O-N 3.15Å; D219-R222 VanDerWaalsContact OD1-CB 3.25Å; D219-R222 WeakPolarHBondContact OD1-CB 3.34Å; D219-R222 WeakPolarHBondContact OD1-CD 3.27Å; D219-R222 WeakPolarHBondContact OD1-CG 3.09Å; D219-R222 PolarHBondContact OD1-N 2.88Å; D219-R222 IonicContact OD1-NE 2.93Å; D219-R222 IonicContact OD2-CZ 3.53Å; D219-R222 IonicContact OD2-NE 2.86Å; D219-R222 PolarHBondContact OD2-NE 3.32Å; D219-R222 IonicContact OD2-NH1 2.83Å; D219-R222 PolarHBondContact OD2-NH1 2.88Å; D219-R222 IonicContact OD2-NH2 3.29Å; D219-R222 PolarHBondContact OD2-NH2 3.16Å; E220-R222 VanDerWaalsContact C-N 3.34Å; E220-R222 PolarHBondContact O-N 3.44Å; R222-L224 VanDerWaalsContact C-N 3.35Å; R222-R225 VanDerWaalsContact O-CB 3.31Å; R222-R225 WeakPolarHBondContact O-CB 2.97Å; R222-R225 PolarHBondContact O-N 3.5Å; R222-R225 VanDerWaalsContact O-N 3.13Å; R222-V226 WeakPolarHBondContact O-CG2 3.44Å; R222-V226 PolarHBondContact O-N 3.38Å |
| 223 | R | 91.2 | Very high | 88.4 | Confident | 55 Ų | 55 | 65.7 Ų | 65.7 | 21% | 0.208 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 173.6 | -69 | 178.2 | -163.4 | -167.4 | 2.3 | 111.2 | I214 D215 L218 D219 E220 R225 V226 D227 | I214-R223 HydrophobicContact CD1-CG 4.18Å; D215-R223 IonicContact OD1-CZ 2.71Å; D215-R223 IonicContact OD1-NH1 2.64Å; D215-R223 IonicContact OD1-NH2 3.71Å; D215-R223 PolarHBondContact OD1-NH2 3.39Å; L218-R223 HydrophobicContact CB-CG 4.06Å; L218-R223 PolarHBondContact O-NE 2.76Å; L218-R223 PolarHBondContact O-NH2 2.81Å; D219-R223 WeakPolarHBondContact O-CG 3.35Å; D219-R223 PolarHBondContact O-N 3.12Å; E220-R223 PolarHBondContact O-N 3.08Å; R223-R225 VanDerWaalsContact C-N 3.25Å; R223-R225 PolarHBondContact O-N 3.39Å; R223-V226 WeakPolarHBondContact O-CA 3.46Å; R223-V226 WeakPolarHBondContact O-CB 3.18Å; R223-V226 PolarHBondContact O-N 3.2Å; R223-D227 PolarHBondContact O-N 3.37Å |
| 224 | L | 88.1 | Confident | 88.4 | Confident | 110 Ų | 110 | 67.5 Ų | 67.5 | 58% | 0.576 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.4 | -35 | 173.1 | -69.4 | 171.9 | 0 | 0 | 0 | 112.7 | E220 R222 D227 A228 | E220-L224 WeakPolarHBondContact O-CG 3.3Å; E220-L224 PolarHBondContact O-N 3.46Å; R222-L224 VanDerWaalsContact C-N 3.35Å; L224-D227 PolarHBondContact O-N 3.15Å; L224-A228 PolarHBondContact O-N 3.48Å |
| 225 | R | 91.4 | Very high | 88.1 | Confident | 124 Ų | 124 | 73.3 Ų | 73.3 | 47% | 0.468 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 173.8 | -159.4 | 73.6 | 179.2 | 174.8 | 4.3 | 111.4 | E190 F193 S221 R222 R223 A228 V229 | E190-R225 IonicContact OE2-NE 2.79Å; E190-R225 IonicContact OE2-NH2 3.84Å; F193-R225 HydrophobicContact CD2-CB 4.3Å; F193-R225 HydrophobicContact CD2-CG 3.55Å; F193-R225 HydrophobicContact CE2-CB 4.38Å; F193-R225 HydrophobicContact CE2-CG 3.75Å; F193-R225 HydrophobicContact CG-CB 4.39Å; F193-R225 HydrophobicContact CG-CG 4.02Å; F193-R225 HydrophobicContact CZ-CG 4.37Å; S221-R225 PolarHBondContact O-N 2.87Å; R222-R225 VanDerWaalsContact O-CB 3.31Å; R222-R225 WeakPolarHBondContact O-CB 2.97Å; R222-R225 PolarHBondContact O-N 3.5Å; R222-R225 VanDerWaalsContact O-N 3.13Å; R223-R225 VanDerWaalsContact C-N 3.25Å; R223-R225 PolarHBondContact O-N 3.39Å; R225-A228 PolarHBondContact O-N 3.35Å; R225-V229 VanDerWaalsContact O-CG2 3.31Å; R225-V229 WeakPolarHBondContact O-CG2 3.48Å; R225-V229 PolarHBondContact O-N 3.11Å |
| 226 | V | 94.6 | Very high | 87.9 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.018 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 173.3 | 174.3 | 0 | 0 | 0 | 0 | 111 | F193 F196 A197 F210 L218 R222 R223 A228 V229 F230 | F193-V226 HydrophobicContact CB-CG2 4.38Å; F193-V226 HydrophobicContact CD1-CG2 3.92Å; F196-V226 HydrophobicContact CB-CB 4.42Å; F196-V226 HydrophobicContact CB-CG1 3.77Å; F196-V226 HydrophobicContact CB-CG2 3.68Å; F196-V226 HydrophobicContact CG-CG2 4.3Å; A197-V226 HydrophobicContact CB-CG1 4.26Å; F210-V226 HydrophobicContact CE1-CG1 4.27Å; L218-V226 HydrophobicContact CD1-CG2 3.86Å; R222-V226 WeakPolarHBondContact O-CG2 3.44Å; R222-V226 PolarHBondContact O-N 3.38Å; R223-V226 WeakPolarHBondContact O-CA 3.46Å; R223-V226 WeakPolarHBondContact O-CB 3.18Å; R223-V226 PolarHBondContact O-N 3.2Å; V226-A228 PolarHBondContact O-N 3.32Å; V226-V229 PolarHBondContact O-N 2.86Å; V226-F230 VanDerWaalsContact O-CB 3.28Å; V226-F230 WeakPolarHBondContact O-CB 3.4Å; V226-F230 PolarHBondContact O-N 3.5Å |
| 227 | D | 91.1 | Very high | 87.5 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 21% | 0.214 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 176.2 | -74.2 | -48 | 0 | 0 | 0 | 112.3 | R200 S207 R223 L224 F230 L231 | R200-D227 IonicContact CZ-OD1 2.7Å; R200-D227 IonicContact NH1-OD1 2.63Å; R200-D227 PolarHBondContact NH1-OD1 2.87Å; S207-D227 PolarHBondContact OG-OD1 3.42Å; R223-D227 PolarHBondContact O-N 3.37Å; L224-D227 PolarHBondContact O-N 3.15Å; D227-F230 WeakPolarHBondContact O-CB 3.3Å; D227-F230 PolarHBondContact O-N 2.68Å; D227-L231 WeakPolarHBondContact O-CG 3.5Å; D227-L231 PolarHBondContact O-N 2.67Å; D227-L231 VanDerWaalsContact O-N 3.09Å |
| 228 | A | 91 | Very high | 85.9 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L224 R225 V226 L231 Q232 | L224-A228 PolarHBondContact O-N 3.48Å; R225-A228 PolarHBondContact O-N 3.35Å; V226-A228 PolarHBondContact O-N 3.32Å; A228-L231 PolarHBondContact O-N 3.12Å; A228-Q232 WeakPolarHBondContact O-CG 3.35Å; A228-Q232 PolarHBondContact O-N 3.04Å |
| 229 | V | 94.5 | Very high | 84.3 | Confident | 4 Ų | 4 | 74.1 Ų | 74.1 | 2% | 0.024 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.4 | -35.1 | 177.5 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | F193 Q194 A197 R225 V226 Q232 L233 | F193-V229 HydrophobicContact CB-CG2 4.17Å; Q194-V229 HydrophobicContact CB-CG1 4.29Å; Q194-V229 HydrophobicContact CG-CG1 3.68Å; A197-V229 HydrophobicContact CB-CB 4.12Å; A197-V229 HydrophobicContact CB-CG1 3.83Å; R225-V229 VanDerWaalsContact O-CG2 3.31Å; R225-V229 WeakPolarHBondContact O-CG2 3.48Å; R225-V229 PolarHBondContact O-N 3.11Å; V226-V229 PolarHBondContact O-N 2.86Å; V229-Q232 PolarHBondContact O-N 3.24Å; V229-L233 HydrophobicContact CG1-CD1 4.13Å; V229-L233 HydrophobicContact CG1-CG 4.37Å; V229-L233 WeakPolarHBondContact O-CG 3.48Å; V229-L233 PolarHBondContact O-N 3.04Å |
| 230 | F | 94.2 | Very high | 82.6 | Confident | 30 Ų | 30 | 76 Ų | 76 | 13% | 0.132 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 174.6 | 170.9 | -90.7 | 0 | 0 | 0 | 112 | A197 R200 I201 V226 D227 Q232 L233 N234 | A197-F230 HydrophobicContact CB-CB 3.95Å; R200-F230 HydrophobicContact CB-CD2 4.09Å; R200-F230 HydrophobicContact CB-CE2 4.29Å; R200-F230 HydrophobicContact CG-CD2 3.92Å; R200-F230 HydrophobicContact CG-CE2 3.79Å; I201-F230 HydrophobicContact CD1-CD2 4.33Å; I201-F230 HydrophobicContact CD1-CE2 4.41Å; I201-F230 HydrophobicContact CG1-CD2 3.72Å; I201-F230 HydrophobicContact CG1-CE2 3.47Å; I201-F230 VanDerWaalsContact CG1-CE2 3.47Å; V226-F230 VanDerWaalsContact O-CB 3.28Å; V226-F230 WeakPolarHBondContact O-CB 3.4Å; V226-F230 PolarHBondContact O-N 3.5Å; D227-F230 WeakPolarHBondContact O-CB 3.3Å; D227-F230 PolarHBondContact O-N 2.68Å; F230-Q232 VanDerWaalsContact C-N 3.34Å; F230-Q232 PolarHBondContact O-N 3.34Å; F230-L233 PolarHBondContact O-N 3.31Å; F230-N234 VanDerWaalsContact O-CB 3.28Å; F230-N234 WeakPolarHBondContact O-CB 3.38Å; F230-N234 PolarHBondContact O-N 3.07Å |
| 231 | L | 88.9 | Confident | 80.6 | Confident | 105 Ų | 105 | 73.1 Ų | 73.1 | 55% | 0.55 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 176 | -71.7 | 164.7 | 0 | 0 | 0 | 111.3 | D227 A228 N234 E235 | D227-L231 WeakPolarHBondContact O-CG 3.5Å; D227-L231 PolarHBondContact O-N 2.67Å; D227-L231 VanDerWaalsContact O-N 3.09Å; A228-L231 PolarHBondContact O-N 3.12Å; L231-N234 PolarHBondContact O-N 3.18Å; L231-E235 WeakPolarHBondContact O-CG 3.25Å; L231-E235 PolarHBondContact O-N 3.16Å |
| 232 | Q | 87.4 | Confident | 78.1 | Confident | 128 Ų | 128 | 73.6 Ų | 73.6 | 60% | 0.598 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 178.4 | -68.5 | 176.2 | -4.4 | 0 | 0 | 112.7 | A228 V229 F230 G236 | A228-Q232 WeakPolarHBondContact O-CG 3.35Å; A228-Q232 PolarHBondContact O-N 3.04Å; V229-Q232 PolarHBondContact O-N 3.24Å; F230-Q232 VanDerWaalsContact C-N 3.34Å; F230-Q232 PolarHBondContact O-N 3.34Å; Q232-G236 PolarHBondContact O-N 2.87Å |
| 233 | L | 87.9 | Confident | 75.6 | Confident | 45 Ų | 45 | 74 Ų | 74 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 178.3 | -73.8 | 174.8 | 0 | 0 | 0 | 111.8 | A197 A198 I201 V229 F230 G236 I237 | A197-L233 HydrophobicContact CB-CD1 3.8Å; A198-L233 HydrophobicContact CB-CD1 4.32Å; I201-L233 HydrophobicContact CD1-CB 3.82Å; V229-L233 HydrophobicContact CG1-CD1 4.13Å; V229-L233 HydrophobicContact CG1-CG 4.37Å; V229-L233 WeakPolarHBondContact O-CG 3.48Å; V229-L233 PolarHBondContact O-N 3.04Å; F230-L233 PolarHBondContact O-N 3.31Å; L233-G236 PolarHBondContact O-N 2.96Å; L233-I237 WeakPolarHBondContact O-CG1 3.39Å; L233-I237 PolarHBondContact O-N 3.28Å |
| 234 | N | 82.5 | Confident | 72.9 | Confident | 60 Ų | 60 | 78.3 Ų | 78.3 | 32% | 0.321 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.5 | -36.6 | -178.5 | -162.3 | 62 | 0 | 0 | 0 | 112.1 | F230 L231 L238 | F230-N234 VanDerWaalsContact O-CB 3.28Å; F230-N234 WeakPolarHBondContact O-CB 3.38Å; F230-N234 PolarHBondContact O-N 3.07Å; L231-N234 PolarHBondContact O-N 3.18Å; N234-L238 VanDerWaalsContact O-CG 3.29Å; N234-L238 WeakPolarHBondContact O-CG 3.44Å; N234-L238 PolarHBondContact O-N 2.88Å; N234-L238 VanDerWaalsContact O-N 3.08Å |
| 235 | E | 79.2 | Confident | 70.2 | Confident | 124 Ų | 124 | 76.6 Ų | 76.6 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.4 | -43.1 | 170.9 | -77.1 | 179.7 | -178.3 | 0 | 0 | 111.8 | L231 L238 Q239 | L231-E235 WeakPolarHBondContact O-CG 3.25Å; L231-E235 PolarHBondContact O-N 3.16Å; E235-L238 PolarHBondContact O-N 2.9Å; E235-Q239 WeakPolarHBondContact O-CG 3.25Å; E235-Q239 PolarHBondContact O-N 2.9Å |
| 236 | G | 75 | Confident | 67.4 | Low | 29 Ų | 29 | 77.1 Ų | 77.1 | 30% | 0.299 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q232 L233 L238 Q239 D240 | Q232-G236 PolarHBondContact O-N 2.87Å; L233-G236 PolarHBondContact O-N 2.96Å; G236-L238 VanDerWaalsContact C-N 3.3Å; G236-L238 PolarHBondContact O-N 3.22Å; G236-Q239 PolarHBondContact O-N 3.24Å; G236-Q239 VanDerWaalsContact O-N 3.14Å; G236-D240 PolarHBondContact O-N 3.41Å; G236-D240 VanDerWaalsContact O-N 3.1Å |
| 237 | I | 71.9 | Confident | 64.2 | Low | 47 Ų | 47 | 81 Ų | 81 | 24% | 0.241 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 178.4 | -66.1 | 166.6 | 0 | 0 | 0 | 111.5 | C153 I201 L233 N241 | C153-I237 HydrophobicContact CB-CD1 4.12Å; I201-I237 HydrophobicContact CD1-CD1 3.89Å; I201-I237 HydrophobicContact CG2-CD1 4.24Å; L233-I237 WeakPolarHBondContact O-CG1 3.39Å; L233-I237 PolarHBondContact O-N 3.28Å; I237-N241 VanDerWaalsContact O-CG 3.29Å; I237-N241 PolarHBondContact O-N 3.36Å; I237-N241 PolarHBondContact O-ND2 2.82Å; I237-N241 VanDerWaalsContact O-ND2 3.07Å |
| 238 | L | 55.9 | Low | 61.1 | Low | 94 Ų | 94 | 86.1 Ų | 86.1 | 49% | 0.492 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 175.4 | -73.9 | 169.2 | 0 | 0 | 0 | 112.1 | N234 E235 G236 N241 I242 | N234-L238 VanDerWaalsContact O-CG 3.29Å; N234-L238 WeakPolarHBondContact O-CG 3.44Å; N234-L238 PolarHBondContact O-N 2.88Å; N234-L238 VanDerWaalsContact O-N 3.08Å; E235-L238 PolarHBondContact O-N 2.9Å; G236-L238 VanDerWaalsContact C-N 3.3Å; G236-L238 PolarHBondContact O-N 3.22Å; L238-N241 PolarHBondContact O-N 3.45Å; L238-I242 WeakPolarHBondContact O-CD1 3.29Å; L238-I242 VanDerWaalsContact O-CG1 3.28Å; L238-I242 WeakPolarHBondContact O-CG1 3.47Å; L238-I242 PolarHBondContact O-N 3.41Å; L238-I242 VanDerWaalsContact O-N 3.13Å |
| 239 | Q | 54.5 | Low | 58.5 | Low | 137 Ų | 137 | 89.7 Ų | 89.7 | 64% | 0.64 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.2 | -42.9 | 176.5 | -73.9 | 179.6 | 4.4 | 0 | 0 | 112.4 | E235 G236 N241 I242 A243 | E235-Q239 WeakPolarHBondContact O-CG 3.25Å; E235-Q239 PolarHBondContact O-N 2.9Å; G236-Q239 PolarHBondContact O-N 3.24Å; G236-Q239 VanDerWaalsContact O-N 3.14Å; Q239-N241 VanDerWaalsContact C-N 3.3Å; Q239-N241 PolarHBondContact O-N 3.3Å; Q239-I242 PolarHBondContact O-N 2.94Å; Q239-A243 PolarHBondContact O-N 3.36Å |
| 240 | D | 52.3 | Low | 55.3 | Low | 108 Ų | 108 | 93.5 Ų | 93.5 | 58% | 0.578 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -38.7 | 176.7 | -74.1 | -20.1 | 0 | 0 | 0 | 111.7 | G236 A243 H244 | G236-D240 PolarHBondContact O-N 3.41Å; G236-D240 VanDerWaalsContact O-N 3.1Å; D240-A243 PolarHBondContact O-N 2.89Å; D240-H244 PolarHBondContact O-CD2 3.12Å; D240-H244 PolarHBondContact O-N 3.35Å; D240-H244 VanDerWaalsContact O-N 3.15Å |
| 241 | N | 43 | Very low | 52.1 | Low | 95 Ų | 95 | 102.1 Ų | 102.1 | 51% | 0.508 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.5 | -36.1 | 176.7 | -71.6 | -32.3 | 0 | 0 | 0 | 112.9 | I237 L238 Q239 A245 | I237-N241 VanDerWaalsContact O-CG 3.29Å; I237-N241 PolarHBondContact O-N 3.36Å; I237-N241 PolarHBondContact O-ND2 2.82Å; I237-N241 VanDerWaalsContact O-ND2 3.07Å; L238-N241 PolarHBondContact O-N 3.45Å; Q239-N241 VanDerWaalsContact C-N 3.3Å; Q239-N241 PolarHBondContact O-N 3.3Å; N241-A245 WeakPolarHBondContact O-CB 3.42Å; N241-A245 PolarHBondContact O-N 3.44Å; N241-A245 VanDerWaalsContact O-N 3.08Å |
| 242 | I | 34.4 | Very low | 48.9 | Very low | 103 Ų | 103 | 105.1 Ų | 105.1 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.6 | -37.2 | 176.8 | -65.6 | 163.9 | 0 | 0 | 0 | 111 | L238 Q239 H244 A245 N246 | L238-I242 WeakPolarHBondContact O-CD1 3.29Å; L238-I242 VanDerWaalsContact O-CG1 3.28Å; L238-I242 WeakPolarHBondContact O-CG1 3.47Å; L238-I242 PolarHBondContact O-N 3.41Å; L238-I242 VanDerWaalsContact O-N 3.13Å; Q239-I242 PolarHBondContact O-N 2.94Å; I242-H244 VanDerWaalsContact C-N 3.31Å; I242-H244 PolarHBondContact O-N 3.44Å; I242-A245 PolarHBondContact O-N 2.79Å; I242-N246 PolarHBondContact O-N 2.71Å |
| 243 | A | 38.4 | Very low | 46 | Very low | 68 Ų | 68 | 106.2 Ų | 106.2 | 56% | 0.562 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q239 D240 | Q239-A243 PolarHBondContact O-N 3.36Å; D240-A243 PolarHBondContact O-N 2.89Å |
| 244 | H | 34.7 | Very low | 43 | Very low | 147 Ų | 147 | 109.7 Ų | 109.7 | 68% | 0.681 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.6 | -34.8 | 175 | -77.2 | -59.7 | 0 | 0 | 0 | 113.3 | D240 I242 S247 | D240-H244 PolarHBondContact O-CD2 3.12Å; D240-H244 PolarHBondContact O-N 3.35Å; D240-H244 VanDerWaalsContact O-N 3.15Å; I242-H244 VanDerWaalsContact C-N 3.31Å; I242-H244 PolarHBondContact O-N 3.44Å; H244-S247 PolarHBondContact O-OG 2.81Å |
| 245 | A | 31.2 | Very low | 40.2 | Very low | 74 Ų | 74 | 117.2 Ų | 117.2 | 61% | 0.612 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.8 | -27.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N241 I242 S247 | N241-A245 WeakPolarHBondContact O-CB 3.42Å; N241-A245 PolarHBondContact O-N 3.44Å; N241-A245 VanDerWaalsContact O-N 3.08Å; I242-A245 PolarHBondContact O-N 2.79Å; A245-S247 VanDerWaalsContact C-N 3.28Å; A245-S247 PolarHBondContact O-N 2.78Å |
| 246 | N | 33.3 | Very low | 37.4 | Very low | 134 Ų | 134 | 116.3 Ų | 116.3 | 72% | 0.717 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 12.9 | 180 | -75.3 | -37.4 | 0 | 0 | 0 | 114.3 | I242 D248 | I242-N246 PolarHBondContact O-N 2.71Å; N246-D248 PolarHBondContact O-N 2.61Å |
| 247 | S | 26.2 | Very low | 34.9 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 59% | 0.587 | 68% | 0.68 | S | S | * | * | trans | -97.3 | 50.4 | 175.7 | 65.1 | 0 | 0 | 0 | 0 | 112.6 | H244 A245 | H244-S247 PolarHBondContact O-OG 2.81Å; A245-S247 VanDerWaalsContact C-N 3.28Å; A245-S247 PolarHBondContact O-N 2.78Å | ||
| 248 | D | 26 | Very low | 32.6 | Very low | 149 Ų | 149 | 128.3 Ų | 128.3 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | trans | -80.9 | 118.2 | 165.1 | -108.8 | -23.6 | 0 | 0 | 0 | 109.6 | N246 A250 | N246-D248 PolarHBondContact O-N 2.61Å; D248-A250 VanDerWaalsContact C-N 3.34Å; D248-A250 PolarHBondContact O-N 2.86Å | ||
| 249 | P | 36.4 | Very low | 31 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -85.5 | 73.2 | -167.6 | 35 | -34.2 | 0 | 0 | 0 | 110.7 | ||||
| 250 | A | 28.8 | Very low | 29.6 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 69% | 0.694 | 74% | 0.739 | S | S | * | * | trans | -141.1 | 63.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D248 | D248-A250 VanDerWaalsContact C-N 3.34Å; D248-A250 PolarHBondContact O-N 2.86Å | ||
| 251 | K | 25.9 | Very low | 28.2 | Very low | 210 Ų | 210 | 134.8 Ų | 134.8 | 91% | 0.913 | 75% | 0.748 | S | S | * | * | trans | -169.7 | 57.5 | 160 | -104.1 | 159.7 | -165.8 | -178.3 | 0 | 111.4 | ||||
| 252 | L | 22.9 | Very low | 27.3 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | -103.2 | 75 | 168.5 | -91.1 | 159.5 | 0 | 0 | 0 | 109.4 | ||||
| 253 | I | 24.9 | Very low | 26.8 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -135.4 | 102.2 | 166.9 | -62.6 | -175.2 | 0 | 0 | 0 | 109.7 | ||||
| 254 | T | 25.2 | Very low | 25.9 | Very low | 119 Ų | 119 | 147 Ų | 147 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | 59.1 | 102.3 | 146.9 | 66.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 255 | K | 23.6 | Very low | 25.3 | Very low | 218 Ų | 218 | 148 Ų | 148 | 95% | 0.948 | 79% | 0.79 | S | S | * | * | trans | -135.8 | 107.2 | 130.8 | -83.6 | -168.1 | 178.4 | 173.3 | 0 | 110.6 | ||||
| 256 | S | 21.6 | Very low | 24.9 | Very low | 104 Ų | 104 | 153.6 Ų | 153.6 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -79.8 | 141.2 | 176 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 257 | K | 21.5 | Very low | 24.4 | Very low | 205 Ų | 205 | 155.3 Ų | 155.3 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | 59 | 113.4 | 145.7 | -64.9 | -179.8 | -179.9 | 177.2 | 0 | 118.9 | ||||
| 258 | S | 23.5 | Very low | 24.2 | Very low | 123 Ų | 123 | 157.7 Ų | 157.7 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | -152.5 | 131.6 | 118 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 259 | K | 22.1 | Very low | 24 | Very low | 200 Ų | 200 | 157.1 Ų | 157.1 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | -71.1 | 137.6 | 164.9 | -74.2 | 171.8 | 169.2 | 179.6 | 0 | 107.4 | ||||
| 260 | D | 25.4 | Very low | 23.4 | Very low | 165 Ų | 165 | 158.6 Ų | 158.6 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -157.5 | 134 | 134.2 | -103.6 | -28.5 | 0 | 0 | 0 | 112 | ||||
| 261 | S | 22.4 | Very low | 23 | Very low | 111 Ų | 111 | 163.4 Ų | 163.4 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | -84.4 | 122.5 | -177.7 | 46 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 262 | R | 25.7 | Very low | 22.8 | Very low | 249 Ų | 249 | 160.8 Ų | 160.8 | 94% | 0.94 | 82% | 0.823 | S | S | * | * | trans | -156.5 | 127.1 | 141.4 | -151.4 | 166.9 | 176.3 | 173.6 | -2.5 | 111.2 | ||||
| 263 | V | 22.7 | Very low | 22.7 | Very low | 115 Ų | 115 | 162 Ų | 162 | 70% | 0.697 | 82% | 0.821 | S | S | * | * | trans | -87.3 | 150.1 | -172.4 | 161.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 264 | Q | 20.4 | Very low | 22.6 | Very low | 157 Ų | 157 | 159.7 Ų | 159.7 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | 91.7 | 112.8 | 153.7 | -84.9 | 154.3 | 5.4 | 0 | 0 | 121 | ||||
| 265 | Q | 22 | Very low | 22.4 | Very low | 169 Ų | 169 | 160.6 Ų | 160.6 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | 78.6 | 91 | 133.3 | -69.6 | 172.6 | -11.7 | 0 | 0 | 118.4 | ||||
| 266 | Q | 22.7 | Very low | 22.4 | Very low | 192 Ų | 192 | 155.8 Ų | 155.8 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | 172.1 | 94.5 | 130.5 | -98.5 | 171.3 | -19.8 | 0 | 0 | 108.9 | ||||
| 267 | L | 22.7 | Very low | 22.3 | Very low | 169 Ų | 169 | 156.2 Ų | 156.2 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | trans | -159.2 | 72.6 | 158.8 | -90.8 | 177.1 | 0 | 0 | 0 | 106.7 | ||||
| 268 | V | 20.9 | Very low | 22.3 | Very low | 135 Ų | 135 | 154.2 Ų | 154.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -107.5 | 103.6 | 150.4 | 174.6 | 0 | 0 | 0 | 0 | 102.8 | ||||
| 269 | D | 23.1 | Very low | 22.3 | Very low | 137 Ų | 137 | 159.7 Ų | 159.7 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | 162.2 | 100.2 | 154.8 | -81.8 | -18.1 | 0 | 0 | 0 | 105.6 | ||||
| 270 | D | 22.4 | Very low | 22.3 | Very low | 150 Ų | 150 | 154.3 Ų | 154.3 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | -176.2 | 148.1 | 142 | -92.2 | -26.1 | 0 | 0 | 0 | 109.8 | ||||
| 271 | F | 21.7 | Very low | 22.1 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | 90.9 | 46.2 | -174.5 | -56.6 | -78.2 | 0 | 0 | 0 | 117.5 | ||||
| 272 | D | 21.2 | Very low | 22.4 | Very low | 156 Ų | 156 | 152.4 Ų | 152.4 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -94.5 | 117.4 | 141.9 | -100.8 | -29 | 0 | 0 | 0 | 108 | P274 | D272-P274 WeakPolarHBondContact O-CD 3.37Å; D272-P274 VanDerWaalsContact O-N 3.08Å | ||
| 273 | F | 21.9 | Very low | 22.5 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -57.9 | 109.1 | 170.9 | -94.3 | -95.3 | 0 | 0 | 0 | 108.5 | V275 | F273-V275 PolarHBondContact O-N 3.39Š| ||
| 274 | P | 22.2 | Very low | 22.6 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -76.7 | 116.5 | -175.4 | 29.4 | -27.5 | 0 | 0 | 0 | 108.2 | D272 T276 | D272-P274 WeakPolarHBondContact O-CD 3.37Å; D272-P274 VanDerWaalsContact O-N 3.08Å; P274-T276 PolarHBondContact O-N 3.36Å | ||
| 275 | V | 21.7 | Very low | 22.6 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -66.1 | 86.9 | 161 | 179.4 | 0 | 0 | 0 | 0 | 106.8 | F273 P277 | F273-V275 PolarHBondContact O-N 3.39Å; V275-P277 WeakPolarHBondContact O-CD 3.47Å | ||
| 276 | T | 21.9 | Very low | 22.8 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | trans | -74.5 | 118.1 | 169.9 | 14.3 | 0 | 0 | 0 | 0 | 108.5 | P274 I278 | P274-T276 PolarHBondContact O-N 3.36Å; T276-I278 PolarHBondContact O-N 3.06Å | ||
| 277 | P | 20.7 | Very low | 22.7 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -63.1 | 133 | 174.1 | -15.1 | 29 | 0 | 0 | 0 | 109.3 | V275 R279 | V275-P277 WeakPolarHBondContact O-CD 3.47Å; P277-R279 PolarHBondContact O-N 3.24Å | ||
| 278 | I | 22 | Very low | 22.7 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -53.7 | 100.8 | 176.8 | -61.4 | 165.2 | 0 | 0 | 0 | 109 | T276 | T276-I278 PolarHBondContact O-N 3.06Š| ||
| 279 | R | 21.6 | Very low | 22.8 | Very low | 237 Ų | 237 | 140.4 Ų | 140.4 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | trans | -88.7 | 113.1 | 158.8 | -168.9 | 173.7 | -173.2 | 171.4 | 1.4 | 105.6 | P277 S281 | P277-R279 PolarHBondContact O-N 3.24Å; R279-S281 PolarHBondContact O-N 3.46Å; R279-S281 VanDerWaalsContact O-N 3.14Å | ||
| 280 | A | 22.8 | Very low | 22.7 | Very low | 87 Ų | 87 | 143.4 Ų | 143.4 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | trans | -43.9 | 117.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 281 | S | 22.4 | Very low | 22.8 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 134.8 | 172.7 | -60.1 | 0 | 0 | 0 | 0 | 109.4 | R279 G283 | R279-S281 PolarHBondContact O-N 3.46Å; R279-S281 VanDerWaalsContact O-N 3.14Å; S281-G283 PolarHBondContact O-N 3.33Å |
| 282 | P | 28.6 | Very low | 22.8 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 132.9 | -179.7 | -3 | 17.8 | 0 | 0 | 0 | 109.7 | ||
| 283 | G | 27.5 | Very low | 22.8 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 139.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S281 S285 | S281-G283 PolarHBondContact O-N 3.33Å; G283-S285 PolarHBondContact O-N 2.89Å |
| 284 | I | 23.4 | Very low | 22.7 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 120.4 | 172.2 | -67.8 | 166.3 | 0 | 0 | 0 | 109.2 | N286 | I284-N286 PolarHBondContact O-N 3.33Š|
| 285 | S | 22.3 | Very low | 22.7 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -42.2 | 92.9 | 163.4 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | G283 | G283-S285 PolarHBondContact O-N 2.89Š| ||
| 286 | N | 24.4 | Very low | 22.8 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -92.1 | 115.6 | 157.3 | -89.3 | -20.4 | 0 | 0 | 0 | 107.7 | I284 | I284-N286 PolarHBondContact O-N 3.33Š| ||
| 287 | K | 20.5 | Very low | 22.9 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | -35.8 | 123.6 | -173.7 | -68.4 | 171.8 | 176.7 | 174.6 | 0 | 113.6 | V289 | K287-V289 PolarHBondContact O-N 3.18Š| ||
| 288 | P | 22.9 | Very low | 23 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -79.6 | 117.8 | 178.2 | 31.4 | -30.2 | 0 | 0 | 0 | 109.9 | K290 | P288-K290 PolarHBondContact O-N 3.38Š| ||
| 289 | V | 23.6 | Very low | 23 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -67.7 | 120.3 | 167.2 | 173.6 | 0 | 0 | 0 | 0 | 108.2 | K287 T291 | K287-V289 PolarHBondContact O-N 3.18Å; V289-T291 PolarHBondContact O-N 3.09Å | ||
| 290 | K | 20.5 | Very low | 23.2 | Very low | 200 Ų | 200 | 140.9 Ų | 140.9 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | -64.4 | 113.7 | 178.2 | -72.6 | 175.4 | 174.7 | 176.7 | 0 | 111.5 | P288 | P288-K290 PolarHBondContact O-N 3.38Š| ||
| 291 | T | 24.3 | Very low | 23.3 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -151.9 | 130.8 | 149 | 38.7 | 0 | 0 | 0 | 0 | 104.4 | V289 | V289-T291 PolarHBondContact O-N 3.09Š| ||
| 292 | G | 21.6 | Very low | 23.5 | Very low | 71 Ų | 71 | 148.4 Ų | 148.4 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | cis | 142.2 | 88.3 | 17.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 293 | K | 22.1 | Very low | 23.6 | Very low | 185 Ų | 185 | 147.9 Ų | 147.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 61.3 | 113.9 | 156.9 | -76 | -177.2 | 176.5 | -179.4 | 0 | 121.2 | ||||
| 294 | Q | 20.8 | Very low | 23.5 | Very low | 164 Ų | 164 | 153.5 Ų | 153.5 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | 65.7 | 136.7 | 114.6 | -77.6 | 176.8 | -32.9 | 0 | 0 | 121.8 | |||||
| 295 | L | 21.1 | Very low | 23.5 | Very low | 149 Ų | 149 | 155.2 Ų | 155.2 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | 87.2 | 107.5 | 156.3 | -65.7 | 158 | 0 | 0 | 0 | 116.8 | ||||
| 296 | L | 22.9 | Very low | 23.7 | Very low | 181 Ų | 181 | 153.7 Ų | 153.7 | 95% | 0.948 | 81% | 0.811 | S | S | * | * | -157.7 | 131.4 | 113.9 | -98.3 | 165.9 | 0 | 0 | 0 | 110.4 | |||||
| 297 | H | 24.3 | Very low | 23.8 | Very low | 145 Ų | 145 | 155.7 Ų | 155.7 | 67% | 0.671 | 82% | 0.815 | S | S | * | * | trans | -87.7 | 149.3 | -167.6 | -144.5 | -91.3 | 0 | 0 | 0 | 110.9 | ||||
| 298 | E | 22.6 | Very low | 23.8 | Very low | 158 Ų | 158 | 154.9 Ų | 154.9 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | 6.6 | 135.4 | 154.8 | -63.3 | 178.4 | 143.4 | 0 | 0 | 119.9 | ||||
| 299 | V | 23.6 | Very low | 23.8 | Very low | 120 Ų | 120 | 154.5 Ų | 154.5 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | -148.6 | 137.4 | 125.6 | -141.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 300 | F | 25.7 | Very low | 24 | Very low | 187 Ų | 187 | 153.4 Ų | 153.4 | 82% | 0.82 | 82% | 0.815 | S | S | * | * | trans | 86.8 | 83.2 | 158.6 | -64.9 | -64.7 | 0 | 0 | 0 | 120.9 | ||||
| 301 | K | 23.8 | Very low | 24.1 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -93.1 | 141.2 | 138.1 | -77.5 | 177.3 | 176.5 | 173 | 0 | 109.3 | ||||
| 302 | N | 26.3 | Very low | 24.3 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -154.9 | 114.5 | 146.4 | -102 | -19.2 | 0 | 0 | 0 | 109.8 | ||||
| 303 | P | 32.3 | Very low | 25.4 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 138.7 | 176.2 | 35.2 | -27.2 | 0 | 0 | 0 | 111.6 | ||
| 304 | M | 23.3 | Very low | 25.6 | Very low | 195 Ų | 195 | 150 Ų | 150 | 96% | 0.961 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -96 | 117.6 | 169.9 | -88.3 | -87.1 | 152.7 | 0 | 0 | 109.6 | ||
| 305 | Q | 23.5 | Very low | 25.6 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 135.7 | 168.6 | -79.6 | 175.5 | -23.8 | 0 | 0 | 110 | ||
| 306 | G | 26.5 | Very low | 25.7 | Very low | 75 Ų | 75 | 144.8 Ų | 144.8 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -148.5 | 95.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 307 | H | 26.8 | Very low | 25.8 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 89% | 0.889 | 79% | 0.785 | S | S | * | * | trans | 7.3 | 134.2 | 163.4 | -81.3 | -94.6 | 0 | 0 | 0 | 123.7 | ||||
| 308 | M | 21.1 | Very low | 25.7 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | trans | -46.7 | 148.7 | 161.2 | -63.9 | -84 | 173.3 | 0 | 0 | 115.9 | ||||
| 309 | S | 22.8 | Very low | 25.7 | Very low | 113 Ų | 113 | 148.4 Ų | 148.4 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | 172.1 | 147.3 | 115 | -73.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 310 | S | 27.5 | Very low | 25.6 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | 95.9 | 96.2 | 160.2 | 73.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 311 | S | 23.4 | Very low | 25.7 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | 27 | 137.1 | 118.8 | 57.8 | 0 | 0 | 0 | 0 | 119 | |||||
| 312 | T | 28.5 | Very low | 25.6 | Very low | 132 Ų | 132 | 144 Ų | 144 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | cis | -172.6 | 169.1 | 16.4 | 8.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 313 | P | 45.3 | Very low | 25.6 | Very low | 101 Ų | 101 | 144 Ų | 144 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | trans | -97.5 | -165.6 | -166.3 | 41.5 | -36.7 | 0 | 0 | 0 | 113.3 | ||||
| 314 | F | 25.2 | Very low | 25.1 | Very low | 192 Ų | 192 | 144.5 Ų | 144.5 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | trans | 119.3 | 136.8 | 166.4 | -77 | -81.4 | 0 | 0 | 0 | 111.5 | ||||
| 315 | S | 21.7 | Very low | 25.3 | Very low | 85 Ų | 85 | 142.5 Ų | 142.5 | 59% | 0.594 | 79% | 0.785 | S | S | * | * | cis | 172.3 | 151.7 | -20.9 | 49.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 316 | T | 23.5 | Very low | 25.3 | Very low | 119 Ų | 119 | 143 Ų | 143 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | 81.1 | 97.5 | 147.5 | -36.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 317 | N | 23.1 | Very low | 25.2 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | 45.1 | 142.8 | 106.9 | -96.3 | -12.8 | 0 | 0 | 0 | 121.6 | |||||
| 318 | Q | 23.5 | Very low | 25.1 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 98.9 | 104.8 | 159.4 | -57.3 | -176.6 | 16.3 | 0 | 0 | 115.4 | ||||
| 319 | R | 21.3 | Very low | 25.2 | Very low | 235 Ų | 235 | 144.3 Ų | 144.3 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | 83.5 | 127.8 | 61.9 | -160.4 | -178.4 | -150.6 | 177.1 | 6.2 | 111.8 | |||||
| 320 | S | 22.4 | Very low | 25.1 | Very low | 102 Ų | 102 | 147.7 Ų | 147.7 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | 76.5 | 119.2 | 161.6 | 68.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 321 | T | 27.2 | Very low | 24.8 | Very low | 143 Ų | 143 | 150.1 Ų | 150.1 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | -170.6 | 106.4 | 111 | 23.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 322 | L | 21.8 | Very low | 24.8 | Very low | 166 Ų | 166 | 151 Ų | 151 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -75.6 | 126.2 | 153.4 | -124.9 | 130.2 | 0 | 0 | 0 | 106 | ||||
| 323 | H | 26.1 | Very low | 24.4 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -171.3 | 125.1 | 142.5 | -112.6 | -77.8 | 0 | 0 | 0 | 112.5 | ||||
| 324 | N | 23.2 | Very low | 23.3 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 67% | 0.668 | 79% | 0.789 | S | S | * | * | trans | 47.2 | 119.8 | 143.5 | -67.8 | -15 | 0 | 0 | 0 | 120.4 | ||||
| 325 | L | 28 | Very low | 23 | Very low | 152 Ų | 152 | 149.5 Ų | 149.5 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | -172.8 | 127.6 | 92.1 | -116.3 | 111.9 | 0 | 0 | 0 | 110.8 | |||||
| 326 | K | 21.9 | Very low | 23 | Very low | 202 Ų | 202 | 151 Ų | 151 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | trans | -70 | 130.1 | 156.8 | -78.5 | 173.5 | 170.6 | 177.1 | 0 | 107.8 | ||||
| 327 | Q | 24.3 | Very low | 22.9 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -170.1 | 137.9 | 139.8 | -108.3 | 172.6 | 9.6 | 0 | 0 | 112.3 | ||||
| 328 | N | 26 | Very low | 22.9 | Very low | 144 Ų | 144 | 150.8 Ų | 150.8 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | 83 | 95.4 | 147.2 | -62.7 | -6.6 | 0 | 0 | 0 | 120.8 | ||||
| 329 | I | 22.4 | Very low | 22.9 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -39.1 | 131.1 | 146.4 | -58 | 155.6 | 0 | 0 | 0 | 112.3 | ||||
| 330 | Q | 21.3 | Very low | 22.9 | Very low | 184 Ų | 184 | 145.8 Ų | 145.8 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | -174.3 | 128.4 | 116.1 | -105.8 | 179.3 | -28.7 | 0 | 0 | 112.5 | |||||
| 331 | I | 20.3 | Very low | 22.8 | Very low | 163 Ų | 163 | 149 Ų | 149 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | -80.9 | 130.2 | 172.1 | -67.4 | 160.1 | 0 | 0 | 0 | 107.6 | ||||
| 332 | S | 24 | Very low | 22.7 | Very low | 119 Ų | 119 | 147 Ų | 147 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -129 | 109.5 | 162.9 | 56.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 333 | A | 20.8 | Very low | 22.6 | Very low | 86 Ų | 86 | 144.3 Ų | 144.3 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -80.8 | 151.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 334 | S | 21 | Very low | 22.4 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 159.2 | 112.2 | 145.3 | 40.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 335 | K | 20.3 | Very low | 22.5 | Very low | 198 Ų | 198 | 142.1 Ų | 142.1 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | 94.3 | 139.7 | 75.2 | -89.3 | -173.3 | 179.2 | -179.7 | 0 | 112.5 | |||||
| 336 | S | 20.2 | Very low | 22.1 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 72.5 | 140.6 | 159.2 | 69.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 337 | S | 21.6 | Very low | 22 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | cis | -174.9 | 124.9 | -0.2 | 36.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 338 | V | 24.3 | Very low | 22 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 95% | 0.952 | 80% | 0.802 | S | S | * | * | trans | -100.5 | 112 | 174.2 | 175.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 339 | S | 22.6 | Very low | 21.7 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -89.4 | 139.8 | 176.6 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 340 | K | 20.3 | Very low | 21.8 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -49.7 | 143.9 | 178.4 | -68.9 | 162.2 | 171 | 174.5 | 0 | 115.9 | ||||
| 341 | I | 21.2 | Very low | 21.7 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -129.7 | 119.1 | 144.8 | -62.4 | 174.6 | 0 | 0 | 0 | 107.2 | ||||
| 342 | P | 24.9 | Very low | 22 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | trans | -109.6 | 160 | 179.3 | 37.7 | -28.5 | 0 | 0 | 0 | 114 | ||||
| 343 | S | 19.9 | Very low | 22.2 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 88.1 | 127.7 | 136.1 | 63.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 344 | S | 22.2 | Very low | 22.2 | Very low | 86 Ų | 86 | 144.5 Ų | 144.5 | 60% | 0.601 | 81% | 0.807 | S | S | * | * | 92.4 | 99.8 | 129.1 | -177.6 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 345 | V | 24.7 | Very low | 22.2 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | trans | -120.8 | 122.8 | 139.3 | 177 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 346 | Q | 20.5 | Very low | 22.3 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 67% | 0.668 | 81% | 0.813 | S | S | * | * | trans | -83.8 | 142.1 | -173.5 | -68.5 | 176.1 | -14.4 | 0 | 0 | 111.4 | ||||
| 347 | R | 20.3 | Very low | 22.5 | Very low | 223 Ų | 223 | 143.3 Ų | 143.3 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | 62.5 | 128.3 | 112.2 | -67.9 | -177.2 | 171.4 | 177.3 | -1.7 | 117.6 | |||||
| 348 | E | 22.8 | Very low | 22.5 | Very low | 197 Ų | 197 | 148 Ų | 148 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | -178.5 | 119 | 124.9 | -97.1 | 167.3 | -168.5 | 0 | 0 | 106.6 | |||||
| 349 | G | 20.5 | Very low | 22.3 | Very low | 72 Ų | 72 | 147 Ų | 147 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | 94.5 | 102.4 | 71.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 350 | S | 23.1 | Very low | 22.3 | Very low | 125 Ų | 125 | 151.6 Ų | 151.6 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | 173.3 | 138.6 | 82 | 41.9 | 0 | 0 | 0 | 0 | 110 | |||||
| 351 | K | 21.1 | Very low | 22.4 | Very low | 203 Ų | 203 | 146.8 Ų | 146.8 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -84.7 | 147.6 | 168.5 | -69 | 171.9 | 171.8 | 177.2 | 0 | 108.9 | ||||
| 352 | Q | 24.7 | Very low | 22.5 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | -156.6 | 144 | 132.3 | -111 | 179.9 | 11.4 | 0 | 0 | 112.2 | ||||
| 353 | P | 28.8 | Very low | 22.4 | Very low | 106 Ų | 106 | 145 Ų | 145 | 69% | 0.688 | 82% | 0.819 | S | S | * | * | trans | -125.2 | -178.8 | -168 | 40.7 | -22.2 | 0 | 0 | 0 | 114.2 | ||||
| 354 | L | 20.5 | Very low | 22.6 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | trans | 82.3 | 101.8 | 154.4 | -63.5 | 157.9 | 0 | 0 | 0 | 119.2 | ||||
| 355 | G | 22.4 | Very low | 22.7 | Very low | 84 Ų | 84 | 152.6 Ų | 152.6 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | trans | -122.9 | 94 | 153 | 0 | 0 | 0 | 0 | 0 | 110.1 | G357 | G355-G357 PolarHBondContact O-N 2.99Š| ||
| 356 | R | 22.2 | Very low | 22.7 | Very low | 240 Ų | 240 | 151.7 Ų | 151.7 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | trans | -81.5 | 96.9 | -174.6 | -158.3 | 177.8 | -166.9 | 179.4 | 3.5 | 109.7 | ||||
| 357 | G | 23 | Very low | 22.8 | Very low | 75 Ų | 75 | 149 Ų | 149 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | -85.8 | 111.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G355 | G355-G357 PolarHBondContact O-N 2.99Š| ||
| 358 | K | 22.3 | Very low | 22.8 | Very low | 206 Ų | 206 | 147.7 Ų | 147.7 | 90% | 0.896 | 83% | 0.832 | S | S | * | * | trans | -61.3 | 131.2 | 179.5 | -88.9 | 174.4 | 171.7 | 175.7 | 0 | 112.6 | ||||
| 359 | V | 20.9 | Very low | 23 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | trans | -44.5 | 124 | 161.1 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 360 | K | 22.3 | Very low | 23.1 | Very low | 204 Ų | 204 | 150 Ų | 150 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | -105.8 | 111.5 | 155.2 | -88.2 | -174.1 | 175.5 | -179.4 | 0 | 107.6 | G362 | K360-G362 PolarHBondContact O-N 3.2Š| ||
| 361 | A | 22.3 | Very low | 23.3 | Very low | 95 Ų | 95 | 151.5 Ų | 151.5 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -62.7 | 116.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 362 | G | 23.2 | Very low | 23.5 | Very low | 72 Ų | 72 | 150.4 Ų | 150.4 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | trans | -119.1 | 92 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | K360 K364 | K360-G362 PolarHBondContact O-N 3.2Å; G362-K364 PolarHBondContact O-N 2.83Å; G362-K364 VanDerWaalsContact O-N 3.14Å | ||
| 363 | N | 22 | Very low | 23.6 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | -58.3 | 109 | 167.8 | -97 | 0.1 | 0 | 0 | 0 | 109.2 | ||||
| 364 | K | 25.5 | Very low | 23.4 | Very low | 192 Ų | 192 | 148 Ų | 148 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -136.2 | 111.1 | 153.1 | -79.2 | -168.2 | 176.6 | 179.6 | 0 | 108.9 | G362 V366 | G362-K364 PolarHBondContact O-N 2.83Å; G362-K364 VanDerWaalsContact O-N 3.14Å; K364-V366 PolarHBondContact O-N 2.99Å; K364-V366 VanDerWaalsContact O-N 3.13Å | ||
| 365 | N | 23.2 | Very low | 23.7 | Very low | 164 Ų | 164 | 147 Ų | 147 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -33.7 | 107 | 176.2 | -64.4 | -24.7 | 0 | 0 | 0 | 112.8 | A367 | N365-A367 PolarHBondContact O-N 3.09Š| ||
| 366 | V | 24.7 | Very low | 24.3 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -77.6 | 107.4 | 167.3 | 176.3 | 0 | 0 | 0 | 0 | 106.9 | K364 K368 | K364-V366 PolarHBondContact O-N 2.99Å; K364-V366 VanDerWaalsContact O-N 3.13Å; V366-K368 PolarHBondContact O-N 2.82Å | ||
| 367 | A | 23 | Very low | 24.9 | Very low | 87 Ų | 87 | 145.3 Ų | 145.3 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 122.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | N365 | N365-A367 PolarHBondContact O-N 3.09Š|
| 368 | K | 21.3 | Very low | 25.7 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 124.9 | 171.3 | -79 | 176.3 | 174.4 | 176.2 | 0 | 108.7 | V366 K370 | V366-K368 PolarHBondContact O-N 2.82Å; K368-K370 PolarHBondContact O-N 3.5Å |
| 369 | P | 25.4 | Very low | 27.2 | Very low | 117 Ų | 117 | 138 Ų | 138 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 119.5 | 175 | 27.2 | -29.6 | 0 | 0 | 0 | 108 | I371 | P369-I371 PolarHBondContact O-N 3.28Š|
| 370 | K | 23.1 | Very low | 29.1 | Very low | 201 Ų | 201 | 137.2 Ų | 137.2 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 122.3 | 170.3 | -76.3 | 177.9 | 174.9 | 178.5 | 0 | 107.3 | K368 E372 | K368-K370 PolarHBondContact O-N 3.5Å; K370-E372 PolarHBondContact O-N 3.29Å |
| 371 | I | 26.9 | Very low | 31.4 | Very low | 157 Ų | 157 | 129 Ų | 129 | 81% | 0.805 | 71% | 0.71 | S | S | * | * | trans | -65 | 102.3 | 174.3 | -62.6 | 167.6 | 0 | 0 | 0 | 106.6 | P369 | P369-I371 PolarHBondContact O-N 3.28Š| ||
| 372 | E | 26.5 | Very low | 34 | Very low | 180 Ų | 180 | 127.1 Ų | 127.1 | 84% | 0.841 | 69% | 0.691 | S | S | * | * | trans | -71.1 | 126.7 | 168.5 | -86.7 | -179.4 | 160.5 | 0 | 0 | 108.9 | K370 C374 | K370-E372 PolarHBondContact O-N 3.29Å; E372-C374 PolarHBondContact O-N 3.24Å | ||
| 373 | N | 25.9 | Very low | 36.7 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 83% | 0.834 | 67% | 0.671 | S | S | * | * | trans | -65.7 | 92.6 | -177.8 | -74.9 | -31.4 | 0 | 0 | 0 | 111.2 | ||||
| 374 | C | 25.6 | Very low | 39.5 | Very low | 94 Ų | 94 | 122.7 Ų | 122.7 | 64% | 0.635 | 65% | 0.653 | S | S | * | * | trans | -75.8 | 123.7 | 160.2 | -93.4 | 0 | 0 | 0 | 0 | 109.7 | E372 | E372-C374 PolarHBondContact O-N 3.24Š| ||
| 375 | Q | 25.7 | Very low | 42.3 | Very low | 138 Ų | 138 | 121.5 Ų | 121.5 | 65% | 0.645 | 64% | 0.643 | S | S | * | * | trans | -73.3 | 149.4 | 177.8 | -68.1 | -169.9 | -1.7 | 0 | 0 | 111 | Q377 D378 | Q375-Q377 PolarHBondContact O-N 2.99Å; Q375-D378 PolarHBondContact O-N 2.94Å | ||
| 376 | P | 34.9 | Very low | 45.3 | Very low | 113 Ų | 113 | 113.7 Ų | 113.7 | 73% | 0.734 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -62.7 | -8.7 | -172 | 20 | -31.2 | 0 | 0 | 0 | 116.1 | D378 | P376-D378 VanDerWaalsContact C-N 3.28Å; P376-D378 PolarHBondContact O-N 3.29Å |
| 377 | Q | 35.5 | Very low | 48.3 | Very low | 174 Ų | 174 | 110 Ų | 110 | 81% | 0.813 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -73.6 | -16.2 | 175.9 | -72.6 | -177.8 | -7.9 | 0 | 0 | 113.4 | Q375 | Q375-Q377 PolarHBondContact O-N 2.99Š|
| 378 | D | 40.3 | Very low | 51.3 | Low | 96 Ų | 96 | 109.3 Ų | 109.3 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -88.3 | 1.3 | -175.9 | -67.5 | -38.8 | 0 | 0 | 0 | 115.3 | Q375 P376 | Q375-D378 PolarHBondContact O-N 2.94Å; P376-D378 VanDerWaalsContact C-N 3.28Å; P376-D378 PolarHBondContact O-N 3.29Å |
| 379 | L | 52.8 | Low | 54.4 | Low | 31 Ų | 31 | 103.8 Ų | 103.8 | 16% | 0.162 | 53% | 0.533 | C | S | . | . | G | 310 helix | trans | -100.6 | -7.9 | -172 | -74.2 | 153.4 | 0 | 0 | 0 | 115.1 | Q437 T474 | L379-Q437 PolarHBondContact O-NE2 2.73Å; L379-Q437 PolarHBondContact O-OE1 3.15Å; L379-T474 HydrophobicContact CD1-CG2 4.25Å |
| 380 | N | 61.1 | Low | 57.5 | Low | 121 Ų | 121 | 98.2 Ų | 98.2 | 65% | 0.647 | 50% | 0.497 | S | S | * | . | trans | -108.2 | 73.9 | 173.8 | -87.8 | -29.3 | 0 | 0 | 0 | 110.9 | Q437 | N380-Q437 PolarHBondContact OD1-NE2 2.95Å; N380-Q437 VanDerWaalsContact OD1-NE2 3.09Å | ||
| 381 | L | 71 | Confident | 60.6 | Low | 33 Ų | 33 | 90.7 Ų | 90.7 | 17% | 0.173 | 47% | 0.47 | C | S | . | . | trans | -81.9 | 149.1 | 177.9 | -71.7 | 141.2 | 0 | 0 | 0 | 111 | R385 L386 Y434 | L381-R385 HydrophobicContact CB-CB 4.24Å; L381-R385 HydrophobicContact CD2-CB 4Å; L381-L386 HydrophobicContact CB-CD2 3.85Å; L381-L386 HydrophobicContact CB-CG 3.8Å; L381-L386 HydrophobicContact CD1-CD2 4.1Å; L381-Y434 HydrophobicContact CD1-CD1 4.01Å; L381-Y434 HydrophobicContact CD1-CE1 3.43Å; L381-Y434 VanDerWaalsContact CD1-CE1 3.43Å | ||
| 382 | S | 76.9 | Confident | 63.4 | Low | 54 Ų | 54 | 90.9 Ų | 90.9 | 38% | 0.378 | 47% | 0.467 | S | S | . | . | trans | -62.1 | 151.5 | 171.9 | 66.1 | 0 | 0 | 0 | 0 | 110.9 | D384 R385 L386 | S382-D384 PolarHBondContact O-N 3.33Å; S382-R385 PolarHBondContact O-N 2.92Å; S382-R385 WeakPolarHBondContact OG-CG 3.02Å; S382-R385 PolarHBondContact OG-N 3.1Å; S382-L386 PolarHBondContact O-N 3.27Å | ||
| 383 | P | 78.5 | Confident | 66.1 | Low | 52 Ų | 52 | 85.7 Ų | 85.7 | 34% | 0.338 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.9 | -34.6 | -178.4 | 18.6 | -30.5 | 0 | 0 | 0 | 113.1 | L386 R387 H441 | P383-L386 PolarHBondContact O-N 2.84Å; P383-R387 WeakPolarHBondContact O-CB 3.34Å; P383-R387 PolarHBondContact O-N 3.22Å; P383-H441 HydrophobicContact CB-CB 4.34Å |
| 384 | D | 81.9 | Confident | 69 | Low | 88 Ų | 88 | 79.7 Ų | 79.7 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 174.3 | -66.6 | -57.7 | 0 | 0 | 0 | 112.8 | S382 R387 N388 | S382-D384 PolarHBondContact O-N 3.33Å; D384-R387 PolarHBondContact O-N 3.46Å; D384-R387 IonicContact OD1-CZ 3.48Å; D384-R387 IonicContact OD1-NH1 2.73Å; D384-R387 PolarHBondContact OD1-NH1 3.08Å; D384-R387 IonicContact OD1-NH2 3.42Å; D384-R387 PolarHBondContact OD1-NH2 2.77Å; D384-N388 WeakPolarHBondContact O-CB 3.44Å; D384-N388 PolarHBondContact O-N 3.16Å; D384-N388 PolarHBondContact O-ND2 3.17Å; D384-N388 PolarHBondContact O-OD1 3.49Å |
| 385 | R | 84.5 | Confident | 72 | Confident | 166 Ų | 166 | 75.4 Ų | 75.4 | 63% | 0.626 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.7 | -40.6 | 176.8 | -76.2 | -177.7 | 169.6 | -163 | -2.6 | 111.6 | L381 S382 N388 K389 | L381-R385 HydrophobicContact CB-CB 4.24Å; L381-R385 HydrophobicContact CD2-CB 4Å; S382-R385 PolarHBondContact O-N 2.92Å; S382-R385 WeakPolarHBondContact OG-CG 3.02Å; S382-R385 PolarHBondContact OG-N 3.1Å; R385-N388 PolarHBondContact O-N 3.19Å; R385-K389 VanDerWaalsContact O-CB 3.31Å; R385-K389 WeakPolarHBondContact O-CB 3.38Å; R385-K389 PolarHBondContact O-N 3.23Å |
| 386 | L | 86.9 | Confident | 74.5 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 174.2 | -71.6 | 169 | 0 | 0 | 0 | 111 | L381 S382 P383 K389 L390 Y434 Q437 Y438 | L381-L386 HydrophobicContact CB-CD2 3.85Å; L381-L386 HydrophobicContact CB-CG 3.8Å; L381-L386 HydrophobicContact CD1-CD2 4.1Å; S382-L386 PolarHBondContact O-N 3.27Å; P383-L386 PolarHBondContact O-N 2.84Å; L386-K389 PolarHBondContact O-N 3.35Å; L386-L390 VanDerWaalsContact O-CB 3.3Å; L386-L390 WeakPolarHBondContact O-CB 3.44Å; L386-L390 VanDerWaalsContact O-CG 3.28Å; L386-L390 WeakPolarHBondContact O-CG 3.37Å; L386-L390 PolarHBondContact O-N 3.32Å; L386-Y434 HydrophobicContact CD2-CD1 3.49Å; L386-Y434 VanDerWaalsContact CD2-CD1 3.49Å; L386-Y434 HydrophobicContact CD2-CE1 4.4Å; L386-Y434 HydrophobicContact CD2-CG 3.86Å; L386-Q437 HydrophobicContact CD1-CB 4.02Å; L386-Q437 HydrophobicContact CD1-CG 3.63Å; L386-Y438 HydrophobicContact CB-CD2 4.2Å |
| 387 | R | 87.1 | Confident | 76.7 | Confident | 58 Ų | 58 | 73.7 Ų | 73.7 | 22% | 0.219 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.7 | -53 | 176.7 | -171.4 | -171.1 | 64.9 | -121.4 | -10.7 | 111.2 | P383 D384 K389 L390 S391 L400 Y438 | P383-R387 WeakPolarHBondContact O-CB 3.34Å; P383-R387 PolarHBondContact O-N 3.22Å; D384-R387 PolarHBondContact O-N 3.46Å; D384-R387 IonicContact OD1-CZ 3.48Å; D384-R387 IonicContact OD1-NH1 2.73Å; D384-R387 PolarHBondContact OD1-NH1 3.08Å; D384-R387 IonicContact OD1-NH2 3.42Å; D384-R387 PolarHBondContact OD1-NH2 2.77Å; R387-K389 VanDerWaalsContact C-N 3.34Å; R387-K389 PolarHBondContact O-N 2.94Å; R387-L390 PolarHBondContact O-N 3.26Å; R387-S391 WeakPolarHBondContact O-CB 3.44Å; R387-S391 PolarHBondContact O-N 2.96Å; R387-S391 PolarHBondContact O-OG 2.83Å; R387-S391 VanDerWaalsContact O-OG 3.11Å; R387-L400 HydrophobicContact CG-CB 3.82Å; R387-L400 HydrophobicContact CG-CD1 4.32Å; R387-Y438 HydrophobicContact CB-CD2 4.43Å; R387-Y438 HydrophobicContact CB-CE2 3.8Å; R387-Y438 HydrophobicContact CG-CE2 4.3Å |
| 388 | N | 85.9 | Confident | 79.2 | Confident | 72 Ų | 72 | 66 Ų | 66 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | -177.3 | -66.2 | -5.6 | 0 | 0 | 0 | 111.1 | D384 R385 L390 S391 E392 | D384-N388 WeakPolarHBondContact O-CB 3.44Å; D384-N388 PolarHBondContact O-N 3.16Å; D384-N388 PolarHBondContact O-ND2 3.17Å; D384-N388 PolarHBondContact O-OD1 3.49Å; R385-N388 PolarHBondContact O-N 3.19Å; N388-L390 PolarHBondContact O-N 2.83Å; N388-S391 WeakPolarHBondContact CA-OG 3.12Å; N388-S391 PolarHBondContact O-N 2.58Å; N388-S391 PolarHBondContact O-OG 3.13Å; N388-E392 WeakPolarHBondContact O-CG 3.28Å; N388-E392 PolarHBondContact O-N 3.07Å |
| 389 | K | 86.3 | Confident | 81.6 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 34% | 0.339 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 178.7 | -161.9 | 164.1 | -172.3 | 176.5 | 0 | 111.7 | R385 L386 R387 E392 T393 Y434 | R385-K389 VanDerWaalsContact O-CB 3.31Å; R385-K389 WeakPolarHBondContact O-CB 3.38Å; R385-K389 PolarHBondContact O-N 3.23Å; L386-K389 PolarHBondContact O-N 3.35Å; R387-K389 VanDerWaalsContact C-N 3.34Å; R387-K389 PolarHBondContact O-N 2.94Å; K389-E392 PolarHBondContact O-N 2.93Å; K389-T393 HydrophobicContact CG-CG2 4.48Å; K389-T393 WeakPolarHBondContact O-CB 3.41Å; K389-T393 WeakPolarHBondContact O-CG2 3.37Å; K389-T393 PolarHBondContact O-N 3.26Å; K389-T393 PolarHBondContact O-OG1 2.78Å; K389-Y434 HydrophobicContact CD-CD2 4.14Å; K389-Y434 HydrophobicContact CD-CE2 3.64Å; K389-Y434 HydrophobicContact CG-CD2 4.45Å; K389-Y434 HydrophobicContact CG-CE2 4.32Å; K389-Y434 PolarHBondContact NZ-OH 3.24Å |
| 390 | L | 90.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 176 | -76.6 | 168.7 | 0 | 0 | 0 | 112.4 | L386 R387 N388 E392 Y394 F395 L400 L435 Y438 | L386-L390 VanDerWaalsContact O-CB 3.3Å; L386-L390 WeakPolarHBondContact O-CB 3.44Å; L386-L390 VanDerWaalsContact O-CG 3.28Å; L386-L390 WeakPolarHBondContact O-CG 3.37Å; L386-L390 PolarHBondContact O-N 3.32Å; R387-L390 PolarHBondContact O-N 3.26Å; N388-L390 PolarHBondContact O-N 2.83Å; L390-E392 VanDerWaalsContact C-N 3.34Å; L390-Y394 PolarHBondContact O-N 3.41Å; L390-F395 HydrophobicContact CB-CD2 4.25Å; L390-F395 PolarHBondContact O-N 3.41Å; L390-L400 HydrophobicContact CB-CD1 3.67Å; L390-L400 HydrophobicContact CD1-CD1 4.38Å; L390-L435 HydrophobicContact CD1-CB 4.45Å; L390-L435 HydrophobicContact CD1-CD1 4.43Å; L390-L435 HydrophobicContact CD2-CB 4.12Å; L390-Y438 HydrophobicContact CD1-CD1 4.47Å; L390-Y438 HydrophobicContact CD1-CG 4.21Å |
| 391 | S | 88 | Confident | 84.7 | Confident | 44 Ų | 44 | 60.4 Ų | 60.4 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.7 | -33.3 | 176.6 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | R387 N388 F395 S396 | R387-S391 WeakPolarHBondContact O-CB 3.44Å; R387-S391 PolarHBondContact O-N 2.96Å; R387-S391 PolarHBondContact O-OG 2.83Å; R387-S391 VanDerWaalsContact O-OG 3.11Å; N388-S391 WeakPolarHBondContact CA-OG 3.12Å; N388-S391 PolarHBondContact O-N 2.58Å; N388-S391 PolarHBondContact O-OG 3.13Å; S391-F395 CarbonylContact O-C 3.48Å; S391-S396 WeakPolarHBondContact O-CA 3.31Å; S391-S396 PolarHBondContact O-N 3.4Å |
| 392 | E | 84.6 | Confident | 85.7 | Confident | 160 Ų | 160 | 62 Ų | 62 | 75% | 0.748 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -76.8 | -41.4 | 177.9 | -74.1 | 172.4 | -171.7 | 0 | 0 | 112.5 | N388 K389 L390 | N388-E392 WeakPolarHBondContact O-CG 3.28Å; N388-E392 PolarHBondContact O-N 3.07Å; K389-E392 PolarHBondContact O-N 2.93Å; L390-E392 VanDerWaalsContact C-N 3.34Å |
| 393 | T | 83.9 | Confident | 86.4 | Confident | 72 Ų | 72 | 59.6 Ų | 59.6 | 44% | 0.442 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -87.9 | -38.5 | -171.1 | 51 | 0 | 0 | 0 | 0 | 113.5 | K389 D431 | K389-T393 HydrophobicContact CG-CG2 4.48Å; K389-T393 WeakPolarHBondContact O-CB 3.41Å; K389-T393 WeakPolarHBondContact O-CG2 3.37Å; K389-T393 PolarHBondContact O-N 3.26Å; K389-T393 PolarHBondContact O-OG1 2.78Å; T393-D431 PolarHBondContact OG1-OD1 2.88Å |
| 394 | Y | 86.7 | Confident | 86.9 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 12% | 0.118 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.4 | -35.9 | -162.1 | -173.6 | -97.8 | 0 | 0 | 0 | 114.2 | L390 T421 N425 P427 | L390-Y394 PolarHBondContact O-N 3.41Å; Y394-T421 HydrophobicContact CE1-CG2 4.11Å; Y394-N425 WeakPolarHBondContact CE2-O 3.44Å; Y394-N425 PolarHBondContact OH-O 3.03Å; Y394-P427 HydrophobicContact CD2-CB 4.44Å; Y394-P427 HydrophobicContact CE1-CB 4.18Å; Y394-P427 HydrophobicContact CE2-CB 3.85Å; Y394-P427 VanDerWaalsContact OH-CD 3.28Å; Y394-P427 WeakPolarHBondContact OH-CD 3.1Å |
| 395 | F | 88.6 | Confident | 87.4 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 1% | 0.013 | 31% | 0.305 | C | S | . | . | trans | -109.9 | 58.3 | -177.7 | -73.3 | -65.1 | 0 | 0 | 0 | 113.3 | L390 S391 N397 V398 L400 I418 T421 L435 | L390-F395 HydrophobicContact CB-CD2 4.25Å; L390-F395 PolarHBondContact O-N 3.41Å; S391-F395 CarbonylContact O-C 3.48Å; F395-N397 PolarHBondContact O-N 3.36Å; F395-N397 VanDerWaalsContact O-N 3.1Å; F395-V398 HydrophobicContact CB-CB 4.14Å; F395-V398 HydrophobicContact CD1-CB 3.94Å; F395-V398 HydrophobicContact CD1-CG1 4.48Å; F395-V398 HydrophobicContact CD1-CG2 3.74Å; F395-V398 HydrophobicContact CG-CB 4.36Å; F395-V398 PolarHBondContact O-N 2.92Å; F395-L400 HydrophobicContact CB-CD1 4.18Å; F395-L400 HydrophobicContact CB-CG 4.36Å; F395-L400 HydrophobicContact CD2-CD1 3.96Å; F395-L400 HydrophobicContact CD2-CD2 3.97Å; F395-L400 HydrophobicContact CD2-CG 4.42Å; F395-L400 HydrophobicContact CE2-CD2 4.35Å; F395-L400 HydrophobicContact CG-CD1 4.37Å; F395-L400 HydrophobicContact CG-CD2 4.15Å; F395-L400 HydrophobicContact CG-CG 4.5Å; F395-I418 HydrophobicContact CE1-CB 4.33Å; F395-I418 HydrophobicContact CE1-CG1 4.07Å; F395-I418 HydrophobicContact CE1-CG2 4.27Å; F395-I418 HydrophobicContact CZ-CB 4.39Å; F395-I418 HydrophobicContact CZ-CG1 4.19Å; F395-I418 HydrophobicContact CZ-CG2 3.87Å; F395-T421 HydrophobicContact CD1-CG2 4.07Å; F395-T421 HydrophobicContact CE1-CG2 3.8Å; F395-L435 HydrophobicContact CE2-CD1 3.78Å; F395-L435 HydrophobicContact CE2-CD2 4.08Å; F395-L435 HydrophobicContact CE2-CG 4.49Å; F395-L435 HydrophobicContact CZ-CD1 4.27Å; F395-L435 HydrophobicContact CZ-CD2 4.13Å | ||
| 396 | S | 79.3 | Confident | 87.6 | Confident | 96 Ų | 96 | 58.3 Ų | 58.3 | 67% | 0.671 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -29.1 | -176.5 | 64.9 | 0 | 0 | 0 | 0 | 114.7 | S391 | S391-S396 WeakPolarHBondContact O-CA 3.31Å; S391-S396 PolarHBondContact O-N 3.4Å |
| 397 | N | 80.8 | Confident | 87.7 | Confident | 120 Ų | 120 | 60.3 Ų | 60.3 | 64% | 0.642 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | 29.9 | -173.7 | -66.5 | -38.7 | 0 | 0 | 0 | 113.4 | F395 R417 | F395-N397 PolarHBondContact O-N 3.36Å; F395-N397 VanDerWaalsContact O-N 3.1Å; N397-R417 PolarHBondContact O-NE 3.06Å; N397-R417 PolarHBondContact O-NH2 3.49Å |
| 398 | V | 88.6 | Confident | 88.1 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | trans | -126.7 | 115.8 | 176.8 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | F395 L400 I414 R417 I418 | F395-V398 HydrophobicContact CB-CB 4.14Å; F395-V398 HydrophobicContact CD1-CB 3.94Å; F395-V398 HydrophobicContact CD1-CG1 4.48Å; F395-V398 HydrophobicContact CD1-CG2 3.74Å; F395-V398 HydrophobicContact CG-CB 4.36Å; F395-V398 PolarHBondContact O-N 2.92Å; V398-L400 VanDerWaalsContact C-N 3.33Å; V398-L400 HydrophobicContact CG1-CD2 4.26Å; V398-L400 PolarHBondContact O-N 3.19Å; V398-I414 HydrophobicContact CG1-CG2 4.1Å; V398-R417 HydrophobicContact CG1-CG 4.46Å; V398-R417 HydrophobicContact CG2-CG 3.97Å; V398-I418 HydrophobicContact CG1-CG1 4.05Å | ||
| 399 | P | 89.2 | Confident | 88.6 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 25% | 0.247 | 35% | 0.345 | C | S | . | . | trans | -75.3 | 85.3 | 179.6 | 30 | -32.9 | 0 | 0 | 0 | 110.2 | E401 Q402 I414 | P399-E401 VanDerWaalsContact CB-OE1 3.3Å; P399-E401 WeakPolarHBondContact CB-OE1 3.28Å; P399-E401 PolarHBondContact O-N 3.29Å; P399-Q402 HydrophobicContact CB-CG 4.2Å; P399-Q402 HydrophobicContact CG-CG 4.37Å; P399-Q402 WeakPolarHBondContact O-CB 3.41Å; P399-Q402 PolarHBondContact O-N 3.26Å; P399-Q402 VanDerWaalsContact O-N 3.13Å; P399-I414 HydrophobicContact CG-CD1 3.65Å | ||
| 400 | L | 90.9 | Very high | 89 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -59.7 | -31.9 | -173.5 | -71.4 | 176.5 | 0 | 0 | 0 | 112.9 | R387 L390 F395 V398 Q402 L403 I418 Y438 | R387-L400 HydrophobicContact CG-CB 3.82Å; R387-L400 HydrophobicContact CG-CD1 4.32Å; L390-L400 HydrophobicContact CB-CD1 3.67Å; L390-L400 HydrophobicContact CD1-CD1 4.38Å; F395-L400 HydrophobicContact CB-CD1 4.18Å; F395-L400 HydrophobicContact CB-CG 4.36Å; F395-L400 HydrophobicContact CD2-CD1 3.96Å; F395-L400 HydrophobicContact CD2-CD2 3.97Å; F395-L400 HydrophobicContact CD2-CG 4.42Å; F395-L400 HydrophobicContact CE2-CD2 4.35Å; F395-L400 HydrophobicContact CG-CD1 4.37Å; F395-L400 HydrophobicContact CG-CD2 4.15Å; F395-L400 HydrophobicContact CG-CG 4.5Å; V398-L400 VanDerWaalsContact C-N 3.33Å; V398-L400 HydrophobicContact CG1-CD2 4.26Å; V398-L400 PolarHBondContact O-N 3.19Å; L400-Q402 PolarHBondContact O-N 2.78Å; L400-Q402 VanDerWaalsContact O-N 3.16Å; L400-L403 VanDerWaalsContact O-CB 3.23Å; L400-L403 WeakPolarHBondContact O-CB 3.18Å; L400-L403 PolarHBondContact O-N 2.98Å; L400-I418 HydrophobicContact CD2-CD1 3.74Å; L400-I418 HydrophobicContact CD2-CG1 4.13Å; L400-Y438 VanDerWaalsContact C-OH 3.3Å; L400-Y438 HydrophobicContact CB-CE1 3.92Å; L400-Y438 HydrophobicContact CD2-CE1 4.45Å; L400-Y438 PolarHBondContact O-OH 2.72Å |
| 401 | E | 88.6 | Confident | 89.3 | Confident | 91 Ų | 91 | 65 Ų | 65 | 43% | 0.425 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -56.7 | -30.6 | 176.8 | 60.7 | -77.7 | 175.7 | 0 | 0 | 113.3 | P399 L403 T404 | P399-E401 VanDerWaalsContact CB-OE1 3.3Å; P399-E401 WeakPolarHBondContact CB-OE1 3.28Å; P399-E401 PolarHBondContact O-N 3.29Å; E401-L403 PolarHBondContact O-N 3.35Å; E401-L403 VanDerWaalsContact O-N 3.17Å; E401-T404 PolarHBondContact O-N 2.91Å; E401-T404 VanDerWaalsContact O-N 3.13Å; E401-T404 PolarHBondContact O-OG1 2.99Å |
| 402 | Q | 91.4 | Very high | 89.7 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -70.8 | -7 | 178.8 | -70.9 | -179.2 | 19.2 | 0 | 0 | 113.1 | P399 L400 T404 D405 I410 I414 | P399-Q402 HydrophobicContact CB-CG 4.2Å; P399-Q402 HydrophobicContact CG-CG 4.37Å; P399-Q402 WeakPolarHBondContact O-CB 3.41Å; P399-Q402 PolarHBondContact O-N 3.26Å; P399-Q402 VanDerWaalsContact O-N 3.13Å; L400-Q402 PolarHBondContact O-N 2.78Å; L400-Q402 VanDerWaalsContact O-N 3.16Å; Q402-T404 PolarHBondContact O-N 3.4Å; Q402-D405 VanDerWaalsContact O-CB 3.27Å; Q402-D405 WeakPolarHBondContact O-CB 3.46Å; Q402-D405 PolarHBondContact O-N 3Å; Q402-I410 HydrophobicContact CB-CG2 3.75Å; Q402-I410 HydrophobicContact CG-CG2 4.16Å; Q402-I414 HydrophobicContact CB-CD1 4.28Å; Q402-I414 HydrophobicContact CB-CG1 3.7Å |
| 403 | L | 91.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -65.6 | -18 | 169.2 | -145.5 | 89.9 | 0 | 0 | 0 | 112.5 | L400 E401 R411 I414 A415 I418 C442 T444 | L400-L403 VanDerWaalsContact O-CB 3.23Å; L400-L403 WeakPolarHBondContact O-CB 3.18Å; L400-L403 PolarHBondContact O-N 2.98Å; E401-L403 PolarHBondContact O-N 3.35Å; E401-L403 VanDerWaalsContact O-N 3.17Å; L403-R411 WeakPolarHBondContact O-CD 3.39Å; L403-R411 WeakPolarHBondContact O-CG 3.3Å; L403-I414 HydrophobicContact CD1-CB 4.19Å; L403-I414 HydrophobicContact CD1-CG2 3.67Å; L403-A415 HydrophobicContact CD1-CB 4.49Å; L403-I418 HydrophobicContact CD1-CD1 3.57Å; L403-C442 HydrophobicContact CD2-CB 4Å; L403-T444 HydrophobicContact CD2-CG2 3.84Å; L403-T444 HydrophobicContact CG-CG2 4.1Å |
| 404 | T | 89.4 | Confident | 90.8 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -107.3 | 9.2 | 175.6 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | E401 Q402 C442 | E401-T404 PolarHBondContact O-N 2.91Å; E401-T404 VanDerWaalsContact O-N 3.13Å; E401-T404 PolarHBondContact O-OG1 2.99Å; Q402-T404 PolarHBondContact O-N 3.4Å; T404-C442 HydrophobicContact CG2-CB 3.82Å |
| 405 | D | 92.8 | Very high | 91.3 | Very high | 50 Ų | 50 | 57.2 Ų | 57.2 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | trans | -59.7 | 148.5 | -179.2 | -167 | -80.7 | 0 | 0 | 0 | 111.6 | Q402 S407 I410 R411 | Q402-D405 VanDerWaalsContact O-CB 3.27Å; Q402-D405 WeakPolarHBondContact O-CB 3.46Å; Q402-D405 PolarHBondContact O-N 3Å; D405-S407 PolarHBondContact O-N 3.35Å; D405-S407 WeakPolarHBondContact OD1-CA 3.12Å; D405-S407 VanDerWaalsContact OD1-CB 3.23Å; D405-S407 WeakPolarHBondContact OD1-CB 3.22Å; D405-S407 PolarHBondContact OD1-N 2.94Å; D405-I410 HydrophobicContact CB-CB 4.19Å; D405-I410 HydrophobicContact CB-CG2 3.82Å; D405-R411 HydrophobicContact CB-CG 4.27Å; D405-R411 WeakPolarHBondContact O-CD 3.48Å; D405-R411 VanDerWaalsContact O-CG 3.31Å; D405-R411 WeakPolarHBondContact O-CG 3.31Å; D405-R411 PolarHBondContact O-NH1 3.5Å | ||
| 406 | T | 88.2 | Confident | 91.7 | Very high | 141 Ų | 141 | 61.7 Ų | 61.7 | 87% | 0.865 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -62.2 | -31.8 | 177.5 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | W408 R411 | T406-W408 PolarHBondContact O-N 2.98Å; T406-R411 PolarHBondContact O-NH1 3.05Å |
| 407 | S | 90.6 | Very high | 92.4 | Very high | 43 Ų | 43 | 63 Ų | 63 | 30% | 0.301 | 31% | 0.314 | S | S | . | . | trans | -79.8 | 112 | 177.7 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | D405 K409 I410 R411 | D405-S407 PolarHBondContact O-N 3.35Å; D405-S407 WeakPolarHBondContact OD1-CA 3.12Å; D405-S407 VanDerWaalsContact OD1-CB 3.23Å; D405-S407 WeakPolarHBondContact OD1-CB 3.22Å; D405-S407 PolarHBondContact OD1-N 2.94Å; S407-K409 PolarHBondContact O-N 3.32Å; S407-K409 VanDerWaalsContact O-N 3.14Å; S407-I410 WeakPolarHBondContact O-CB 3.48Å; S407-I410 PolarHBondContact O-N 3.24Å; S407-R411 PolarHBondContact O-N 2.9Å; S407-R411 VanDerWaalsContact O-N 3.1Å | ||
| 408 | W | 95.1 | Very high | 93 | Very high | 89 Ų | 89 | 57.3 Ų | 57.3 | 34% | 0.337 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.7 | -26.1 | 178 | 71.3 | -94.2 | 0 | 0 | 0 | 113.5 | T406 L412 N449 V452 | T406-W408 PolarHBondContact O-N 2.98Å; W408-L412 HydrophobicContact CE3-CD2 4.5Å; W408-L412 HydrophobicContact CZ3-CD2 3.99Å; W408-L412 WeakPolarHBondContact O-CB 3.35Å; W408-L412 PolarHBondContact O-N 3.48Å; W408-N449 HydrophobicContact CB-CB 3.93Å; W408-N449 HydrophobicContact CG-CB 4.3Å; W408-N449 VanDerWaalsContact CG-ND2 3.32Å; W408-V452 HydrophobicContact CB-CG2 4.28Å; W408-V452 WeakPolarHBondContact O-CG2 3.46Å |
| 409 | K | 96.1 | Very high | 93.3 | Very high | 135 Ų | 135 | 57.9 Ų | 57.9 | 59% | 0.587 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.3 | -39.6 | 176.6 | -68.1 | -176 | -179.2 | 178.3 | 0 | 111.1 | S407 L412 Q413 | S407-K409 PolarHBondContact O-N 3.32Å; S407-K409 VanDerWaalsContact O-N 3.14Å; K409-L412 PolarHBondContact O-N 2.87Å; K409-Q413 WeakPolarHBondContact O-CB 3.33Å; K409-Q413 PolarHBondContact O-N 3.13Å |
| 410 | I | 94.9 | Very high | 93.5 | Very high | 51 Ų | 51 | 58.7 Ų | 58.7 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.5 | -50.5 | 174.8 | -65.8 | 178.4 | 0 | 0 | 0 | 108.7 | Q402 D405 S407 L412 Q413 I414 | Q402-I410 HydrophobicContact CB-CG2 3.75Å; Q402-I410 HydrophobicContact CG-CG2 4.16Å; D405-I410 HydrophobicContact CB-CB 4.19Å; D405-I410 HydrophobicContact CB-CG2 3.82Å; S407-I410 WeakPolarHBondContact O-CB 3.48Å; S407-I410 PolarHBondContact O-N 3.24Å; I410-L412 VanDerWaalsContact C-N 3.27Å; I410-L412 PolarHBondContact O-N 2.86Å; I410-Q413 PolarHBondContact O-N 3.28Å; I410-Q413 VanDerWaalsContact O-N 3.12Å; I410-I414 HydrophobicContact CG2-CG1 4.46Å; I410-I414 WeakPolarHBondContact O-CG1 3.13Å; I410-I414 PolarHBondContact O-N 3.3Å |
| 411 | R | 96.4 | Very high | 93.5 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.5 | -42.6 | 176.4 | -60.8 | -162.7 | -59.2 | -85 | 7.7 | 112.9 | L403 D405 T406 S407 I414 A415 D447 V452 | L403-R411 WeakPolarHBondContact O-CD 3.39Å; L403-R411 WeakPolarHBondContact O-CG 3.3Å; D405-R411 HydrophobicContact CB-CG 4.27Å; D405-R411 WeakPolarHBondContact O-CD 3.48Å; D405-R411 VanDerWaalsContact O-CG 3.31Å; D405-R411 WeakPolarHBondContact O-CG 3.31Å; D405-R411 PolarHBondContact O-NH1 3.5Å; T406-R411 PolarHBondContact O-NH1 3.05Å; S407-R411 PolarHBondContact O-N 2.9Å; S407-R411 VanDerWaalsContact O-N 3.1Å; R411-I414 PolarHBondContact O-N 2.67Å; R411-A415 WeakPolarHBondContact O-CB 3.22Å; R411-A415 PolarHBondContact O-N 3.46Å; R411-D447 IonicContact CZ-OD1 3.97Å; R411-D447 IonicContact CZ-OD2 3.27Å; R411-D447 VanDerWaalsContact CZ-OD2 3.27Å; R411-D447 IonicContact NE-OD1 2.85Å; R411-D447 IonicContact NE-OD2 2.7Å; R411-D447 PolarHBondContact NE-OD2 3.44Å; R411-D447 VanDerWaalsContact NH2-CG 3.35Å; R411-D447 IonicContact NH2-OD1 2.76Å; R411-D447 PolarHBondContact NH2-OD1 3.38Å; R411-D447 IonicContact NH2-OD2 3.03Å; R411-D447 PolarHBondContact NH2-OD2 2.93Å; R411-V452 HydrophobicContact CB-CG1 4.02Å; R411-V452 HydrophobicContact CB-CG2 4.14Å |
| 412 | L | 96.7 | Very high | 93.7 | Very high | 20 Ų | 20 | 56 Ų | 56 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -49 | 176.7 | -179.7 | 61.1 | 0 | 0 | 0 | 111.7 | W408 K409 I410 I414 A415 E416 R451 V452 E455 | W408-L412 HydrophobicContact CE3-CD2 4.5Å; W408-L412 HydrophobicContact CZ3-CD2 3.99Å; W408-L412 WeakPolarHBondContact O-CB 3.35Å; W408-L412 PolarHBondContact O-N 3.48Å; K409-L412 PolarHBondContact O-N 2.87Å; I410-L412 VanDerWaalsContact C-N 3.27Å; I410-L412 PolarHBondContact O-N 2.86Å; L412-I414 PolarHBondContact O-N 3.2Å; L412-A415 PolarHBondContact O-N 2.87Å; L412-A415 VanDerWaalsContact O-N 3.14Å; L412-E416 HydrophobicContact CD1-CG 4.21Å; L412-E416 HydrophobicContact CG-CG 4.38Å; L412-E416 WeakPolarHBondContact O-CG 3.49Å; L412-E416 PolarHBondContact O-N 3.3Å; L412-R451 HydrophobicContact CD1-CB 4.3Å; L412-R451 HydrophobicContact CD2-CB 4.1Å; L412-V452 HydrophobicContact CB-CG2 3.95Å; L412-E455 HydrophobicContact CD1-CB 4Å; L412-E455 HydrophobicContact CD1-CG 4.41Å |
| 413 | Q | 96 | Very high | 93.6 | Very high | 116 Ų | 116 | 56.5 Ų | 56.5 | 54% | 0.542 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.4 | -37.9 | 179.5 | -175.1 | -178.9 | 7.8 | 0 | 0 | 111.9 | K409 I410 R417 | K409-Q413 WeakPolarHBondContact O-CB 3.33Å; K409-Q413 PolarHBondContact O-N 3.13Å; I410-Q413 PolarHBondContact O-N 3.28Å; I410-Q413 VanDerWaalsContact O-N 3.12Å; Q413-R417 WeakPolarHBondContact O-CB 2.98Å; Q413-R417 PolarHBondContact O-N 3.43Å; Q413-R417 VanDerWaalsContact O-N 3.1Å |
| 414 | I | 96 | Very high | 93.5 | Very high | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.2 | -42.1 | 176.4 | -59.5 | -54.7 | 0 | 0 | 0 | 111.5 | V398 P399 Q402 L403 I410 R411 L412 E416 R417 I418 | V398-I414 HydrophobicContact CG1-CG2 4.1Å; P399-I414 HydrophobicContact CG-CD1 3.65Å; Q402-I414 HydrophobicContact CB-CD1 4.28Å; Q402-I414 HydrophobicContact CB-CG1 3.7Å; L403-I414 HydrophobicContact CD1-CB 4.19Å; L403-I414 HydrophobicContact CD1-CG2 3.67Å; I410-I414 HydrophobicContact CG2-CG1 4.46Å; I410-I414 WeakPolarHBondContact O-CG1 3.13Å; I410-I414 PolarHBondContact O-N 3.3Å; R411-I414 PolarHBondContact O-N 2.67Å; L412-I414 PolarHBondContact O-N 3.2Å; I414-E416 PolarHBondContact O-N 2.95Å; I414-R417 PolarHBondContact O-N 3.13Å; I414-I418 HydrophobicContact CG2-CD1 4.15Å; I414-I418 HydrophobicContact CG2-CG1 4.48Å; I414-I418 WeakPolarHBondContact O-CG1 3.02Å; I414-I418 PolarHBondContact O-N 3.22Å |
| 415 | A | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L403 R411 L412 R417 I418 N419 E455 V456 I459 | L403-A415 HydrophobicContact CD1-CB 4.49Å; R411-A415 WeakPolarHBondContact O-CB 3.22Å; R411-A415 PolarHBondContact O-N 3.46Å; L412-A415 PolarHBondContact O-N 2.87Å; L412-A415 VanDerWaalsContact O-N 3.14Å; A415-R417 VanDerWaalsContact C-N 3.27Å; A415-R417 PolarHBondContact O-N 3.17Å; A415-I418 PolarHBondContact O-N 3.5Å; A415-N419 WeakPolarHBondContact O-CB 3.17Å; A415-N419 PolarHBondContact O-N 2.82Å; A415-E455 HydrophobicContact CB-CB 4.18Å; A415-E455 HydrophobicContact CB-CG 3.85Å; A415-V456 HydrophobicContact CB-CG2 4.21Å; A415-I459 HydrophobicContact CB-CD1 4.37Å; A415-I459 WeakPolarHBondContact O-CD1 3.41Å |
| 416 | E | 96.7 | Very high | 93.2 | Very high | 98 Ų | 98 | 62.2 Ų | 62.2 | 46% | 0.458 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 175.7 | -71.6 | 171.5 | 169.1 | 0 | 0 | 111.7 | L412 I414 N419 A420 E455 | L412-E416 HydrophobicContact CD1-CG 4.21Å; L412-E416 HydrophobicContact CG-CG 4.38Å; L412-E416 WeakPolarHBondContact O-CG 3.49Å; L412-E416 PolarHBondContact O-N 3.3Å; I414-E416 PolarHBondContact O-N 2.95Å; E416-N419 PolarHBondContact O-N 3.4Å; E416-A420 WeakPolarHBondContact O-CB 3.38Å; E416-A420 PolarHBondContact O-N 2.92Å; E416-E455 HydrophobicContact CG-CG 4.04Å |
| 417 | R | 94 | Very high | 93.2 | Very high | 123 Ų | 123 | 55.6 Ų | 55.6 | 46% | 0.464 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.8 | -41.1 | 177.5 | -163.6 | 168.8 | 177.4 | 137.3 | -7.9 | 112.3 | N397 V398 Q413 I414 A415 N419 A420 T421 | N397-R417 PolarHBondContact O-NE 3.06Å; N397-R417 PolarHBondContact O-NH2 3.49Å; V398-R417 HydrophobicContact CG1-CG 4.46Å; V398-R417 HydrophobicContact CG2-CG 3.97Å; Q413-R417 WeakPolarHBondContact O-CB 2.98Å; Q413-R417 PolarHBondContact O-N 3.43Å; Q413-R417 VanDerWaalsContact O-N 3.1Å; I414-R417 PolarHBondContact O-N 3.13Å; A415-R417 VanDerWaalsContact C-N 3.27Å; A415-R417 PolarHBondContact O-N 3.17Å; R417-N419 VanDerWaalsContact C-N 3.34Å; R417-A420 PolarHBondContact O-N 3.48Å; R417-T421 PolarHBondContact O-N 2.83Å; R417-T421 PolarHBondContact O-OG1 2.92Å; R417-T421 VanDerWaalsContact O-OG1 3.11Å |
| 418 | I | 94.8 | Very high | 93 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 172.3 | -72.1 | 172.1 | 0 | 0 | 0 | 110 | F395 V398 L400 L403 I414 A415 A420 T421 I422 I459 | F395-I418 HydrophobicContact CE1-CB 4.33Å; F395-I418 HydrophobicContact CE1-CG1 4.07Å; F395-I418 HydrophobicContact CE1-CG2 4.27Å; F395-I418 HydrophobicContact CZ-CB 4.39Å; F395-I418 HydrophobicContact CZ-CG1 4.19Å; F395-I418 HydrophobicContact CZ-CG2 3.87Å; V398-I418 HydrophobicContact CG1-CG1 4.05Å; L400-I418 HydrophobicContact CD2-CD1 3.74Å; L400-I418 HydrophobicContact CD2-CG1 4.13Å; L403-I418 HydrophobicContact CD1-CD1 3.57Å; I414-I418 HydrophobicContact CG2-CD1 4.15Å; I414-I418 HydrophobicContact CG2-CG1 4.48Å; I414-I418 WeakPolarHBondContact O-CG1 3.02Å; I414-I418 PolarHBondContact O-N 3.22Å; A415-I418 PolarHBondContact O-N 3.5Å; I418-A420 VanDerWaalsContact C-N 3.34Å; I418-A420 PolarHBondContact O-N 3.14Å; I418-T421 PolarHBondContact O-N 2.78Å; I418-I422 HydrophobicContact CG2-CD1 3.69Å; I418-I422 HydrophobicContact CG2-CG1 4.47Å; I418-I422 WeakPolarHBondContact O-CG1 3.46Å; I418-I422 PolarHBondContact O-N 3.01Å; I418-I459 HydrophobicContact CB-CD1 4.12Å; I418-I459 HydrophobicContact CG2-CD1 3.75Å; I418-I459 HydrophobicContact CG2-CG1 4.34Å; I418-I459 HydrophobicContact CG2-CG2 4.35Å |
| 419 | N | 93.7 | Very high | 92.4 | Very high | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 178.6 | -167.1 | 20.3 | 0 | 0 | 0 | 111.5 | A415 E416 R417 T421 I422 N423 E455 I459 | A415-N419 WeakPolarHBondContact O-CB 3.17Å; A415-N419 PolarHBondContact O-N 2.82Å; E416-N419 PolarHBondContact O-N 3.4Å; R417-N419 VanDerWaalsContact C-N 3.34Å; N419-T421 VanDerWaalsContact C-N 3.35Å; N419-T421 PolarHBondContact O-N 3.29Å; N419-I422 PolarHBondContact O-N 3.25Å; N419-N423 WeakPolarHBondContact O-CB 3.3Å; N419-N423 PolarHBondContact O-N 2.87Å; N419-N423 PolarHBondContact O-ND2 3.32Å; N419-E455 WeakPolarHBondContact CB-OE1 3.42Å; N419-E455 PolarHBondContact ND2-OE1 2.97Å; N419-I459 HydrophobicContact CB-CD1 4.22Å; N419-I459 HydrophobicContact CB-CG1 3.77Å |
| 420 | A | 93 | Very high | 92 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E416 R417 I418 N423 S424 | E416-A420 WeakPolarHBondContact O-CB 3.38Å; E416-A420 PolarHBondContact O-N 2.92Å; R417-A420 PolarHBondContact O-N 3.48Å; I418-A420 VanDerWaalsContact C-N 3.34Å; I418-A420 PolarHBondContact O-N 3.14Å; A420-N423 WeakPolarHBondContact O-CB 2.79Å; A420-N423 PolarHBondContact O-N 3.32Å; A420-S424 PolarHBondContact O-N 3.03Å; A420-S424 VanDerWaalsContact O-N 3.15Å; A420-S424 PolarHBondContact O-OG 3.06Å |
| 421 | T | 92.6 | Very high | 91.7 | Very high | 34 Ų | 34 | 57.2 Ų | 57.2 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 176.6 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | Y394 F395 R417 I418 N419 N423 S424 N425 | Y394-T421 HydrophobicContact CE1-CG2 4.11Å; F395-T421 HydrophobicContact CD1-CG2 4.07Å; F395-T421 HydrophobicContact CE1-CG2 3.8Å; R417-T421 PolarHBondContact O-N 2.83Å; R417-T421 PolarHBondContact O-OG1 2.92Å; R417-T421 VanDerWaalsContact O-OG1 3.11Å; I418-T421 PolarHBondContact O-N 2.78Å; N419-T421 VanDerWaalsContact C-N 3.35Å; N419-T421 PolarHBondContact O-N 3.29Å; T421-N423 PolarHBondContact O-N 3.34Å; T421-S424 PolarHBondContact O-N 3.3Å; T421-S424 PolarHBondContact O-OG 2.96Å; T421-N425 PolarHBondContact O-N 2.96Å |
| 422 | I | 92 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -34.6 | 175.8 | -65.5 | 163.4 | 0 | 0 | 0 | 110.7 | I418 N419 L435 I459 K462 L463 | I418-I422 HydrophobicContact CG2-CD1 3.69Å; I418-I422 HydrophobicContact CG2-CG1 4.47Å; I418-I422 WeakPolarHBondContact O-CG1 3.46Å; I418-I422 PolarHBondContact O-N 3.01Å; N419-I422 PolarHBondContact O-N 3.25Å; I422-L435 HydrophobicContact CD1-CD2 3.93Å; I422-L435 HydrophobicContact CG1-CD2 4.35Å; I422-I459 HydrophobicContact CD1-CG1 4.48Å; I422-I459 HydrophobicContact CD1-CG2 3.61Å; I422-K462 HydrophobicContact CG2-CD 4.48Å; I422-K462 HydrophobicContact CG2-CG 4.24Å; I422-L463 HydrophobicContact CD1-CD2 4.06Å; I422-L463 HydrophobicContact CG2-CD2 4.33Å |
| 423 | N | 89.6 | Confident | 91.1 | Very high | 79 Ų | 79 | 54.8 Ų | 54.8 | 42% | 0.422 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.8 | -36 | 176.7 | -68.7 | -28.9 | 0 | 0 | 0 | 113 | N419 A420 T421 K462 | N419-N423 WeakPolarHBondContact O-CB 3.3Å; N419-N423 PolarHBondContact O-N 2.87Å; N419-N423 PolarHBondContact O-ND2 3.32Å; A420-N423 WeakPolarHBondContact O-CB 2.79Å; A420-N423 PolarHBondContact O-N 3.32Å; T421-N423 PolarHBondContact O-N 3.34Å; N423-K462 WeakPolarHBondContact OD1-CD 3.42Å; N423-K462 WeakPolarHBondContact OD1-CE 3.32Å; N423-K462 PolarHBondContact OD1-NZ 3.39Å |
| 424 | S | 89.2 | Confident | 90.9 | Very high | 97 Ų | 97 | 50 Ų | 50 | 68% | 0.678 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -83 | -33.6 | 179.5 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | A420 T421 | A420-S424 PolarHBondContact O-N 3.03Å; A420-S424 VanDerWaalsContact O-N 3.15Å; A420-S424 PolarHBondContact O-OG 3.06Å; T421-S424 PolarHBondContact O-N 3.3Å; T421-S424 PolarHBondContact O-OG 2.96Å |
| 425 | N | 88.1 | Confident | 90.8 | Very high | 97 Ų | 97 | 49.9 Ų | 49.9 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -146.8 | 92.3 | -177 | -178.2 | 31 | 0 | 0 | 0 | 110.9 | Y394 T421 | Y394-N425 WeakPolarHBondContact CE2-O 3.44Å; Y394-N425 PolarHBondContact OH-O 3.03Å; T421-N425 PolarHBondContact O-N 2.96Å |
| 426 | P | 87.8 | Confident | 90.6 | Very high | 66 Ų | 66 | 49.9 Ų | 49.9 | 43% | 0.429 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 138.5 | -177 | -24.7 | 34.3 | 0 | 0 | 0 | 113.4 | ||
| 427 | P | 88 | Confident | 90.5 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -76.4 | 134.4 | -179.9 | 29.5 | -30.2 | 0 | 0 | 0 | 111.4 | Y394 I432 L435 L463 | Y394-P427 HydrophobicContact CD2-CB 4.44Å; Y394-P427 HydrophobicContact CE1-CB 4.18Å; Y394-P427 HydrophobicContact CE2-CB 3.85Å; Y394-P427 VanDerWaalsContact OH-CD 3.28Å; Y394-P427 WeakPolarHBondContact OH-CD 3.1Å; P427-I432 HydrophobicContact CB-CB 4.26Å; P427-I432 HydrophobicContact CG-CB 4.29Å; P427-I432 HydrophobicContact CG-CG1 4.39Å; P427-L435 HydrophobicContact CG-CD2 4.39Å; P427-L463 HydrophobicContact CG-CD2 3.53Å |
| 428 | E | 85.7 | Confident | 90.5 | Very high | 156 Ų | 156 | 40 Ų | 40 | 73% | 0.729 | 22% | 0.221 | S | C | * | . | P | Polyproline II helix | trans | -98.7 | 173.3 | 173.1 | -65.5 | -171.3 | 172.5 | 0 | 0 | 111.3 | D431 I432 | E428-D431 PolarHBondContact O-N 3.33Å; E428-I432 PolarHBondContact O-N 3.15Å |
| 429 | Y | 83.9 | Confident | 90.4 | Very high | 125 Ų | 125 | 40 Ų | 40 | 49% | 0.49 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 136.3 | 175.4 | 179.2 | -91.3 | 0 | 0 | 0 | 111 | H433 W472 | Y429-H433 HydrophobicContact CD2-CB 4.48Å; Y429-H433 HydrophobicContact CE2-CB 4.46Å; Y429-W472 HydrophobicContact CD2-CB 3.87Å |
| 430 | P | 85.7 | Confident | 90.4 | Very high | 40 Ų | 40 | 39.4 Ų | 39.4 | 26% | 0.26 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -92.1 | -2.2 | 7 | 36.5 | -36.9 | 0 | 0 | 0 | 115.7 | I432 H433 Y434 | P430-I432 VanDerWaalsContact C-N 3.3Å; P430-I432 PolarHBondContact O-N 3.21Å; P430-H433 VanDerWaalsContact O-CB 3.29Å; P430-H433 WeakPolarHBondContact O-CB 3.28Å; P430-H433 PolarHBondContact O-N 2.88Å; P430-Y434 HydrophobicContact CB-CD2 4.27Å; P430-Y434 HydrophobicContact CB-CE2 3.65Å; P430-Y434 HydrophobicContact CG-CD2 4.38Å; P430-Y434 HydrophobicContact CG-CE2 3.6Å; P430-Y434 WeakPolarHBondContact O-CD2 3.15Å; P430-Y434 PolarHBondContact O-N 2.78Å; P430-Y434 VanDerWaalsContact O-N 3.1Å |
| 431 | D | 88.6 | Confident | 90.2 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 17% | 0.166 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.9 | -35.3 | -173.6 | -61.8 | -30.5 | 0 | 0 | 0 | 112.9 | T393 E428 H433 Y434 L435 | T393-D431 PolarHBondContact OG1-OD1 2.88Å; E428-D431 PolarHBondContact O-N 3.33Å; D431-H433 VanDerWaalsContact C-N 3.31Å; D431-H433 PolarHBondContact O-N 3.04Å; D431-Y434 PolarHBondContact O-N 3.32Å; D431-L435 VanDerWaalsContact O-CB 3.29Å; D431-L435 WeakPolarHBondContact O-CB 3.41Å; D431-L435 PolarHBondContact O-N 2.83Å |
| 432 | I | 90.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -39.2 | 172.9 | -171.4 | 172 | 0 | 0 | 0 | 112.9 | P427 E428 P430 L436 L463 N467 W472 | P427-I432 HydrophobicContact CB-CB 4.26Å; P427-I432 HydrophobicContact CG-CB 4.29Å; P427-I432 HydrophobicContact CG-CG1 4.39Å; E428-I432 PolarHBondContact O-N 3.15Å; P430-I432 VanDerWaalsContact C-N 3.3Å; P430-I432 PolarHBondContact O-N 3.21Å; I432-L436 PolarHBondContact O-N 3.41Å; I432-L436 VanDerWaalsContact O-N 3.11Å; I432-L463 HydrophobicContact CD1-CB 4.43Å; I432-L463 HydrophobicContact CG1-CD2 4.25Å; I432-N467 HydrophobicContact CD1-CB 4.1Å; I432-N467 VanDerWaalsContact CD1-CG 3.48Å; I432-N467 WeakPolarHBondContact CD1-ND2 3.43Å; I432-W472 HydrophobicContact CB-CE3 4.29Å; I432-W472 HydrophobicContact CB-CZ3 4.45Å; I432-W472 HydrophobicContact CD1-CD2 4.12Å; I432-W472 HydrophobicContact CD1-CE3 4.03Å; I432-W472 HydrophobicContact CD1-CH2 3.87Å; I432-W472 HydrophobicContact CD1-CZ2 3.99Å; I432-W472 HydrophobicContact CD1-CZ3 3.92Å; I432-W472 HydrophobicContact CG1-CD2 4.38Å; I432-W472 HydrophobicContact CG1-CE3 3.8Å; I432-W472 HydrophobicContact CG1-CH2 3.95Å; I432-W472 HydrophobicContact CG1-CZ3 3.57Å; I432-W472 HydrophobicContact CG2-CB 4.25Å; I432-W472 HydrophobicContact CG2-CD2 4.05Å; I432-W472 HydrophobicContact CG2-CE3 3.7Å; I432-W472 HydrophobicContact CG2-CG 4.31Å; I432-W472 HydrophobicContact CG2-CZ3 4.35Å |
| 433 | H | 91.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.5 | -49.3 | 177.2 | -176 | 95.8 | 0 | 0 | 0 | 110.2 | Y429 P430 D431 L435 L436 Q437 W472 T474 | Y429-H433 HydrophobicContact CD2-CB 4.48Å; Y429-H433 HydrophobicContact CE2-CB 4.46Å; P430-H433 VanDerWaalsContact O-CB 3.29Å; P430-H433 WeakPolarHBondContact O-CB 3.28Å; P430-H433 PolarHBondContact O-N 2.88Å; D431-H433 VanDerWaalsContact C-N 3.31Å; D431-H433 PolarHBondContact O-N 3.04Å; H433-L435 VanDerWaalsContact C-N 3.32Å; H433-L435 PolarHBondContact O-N 2.67Å; H433-L436 PolarHBondContact O-N 3.03Å; H433-Q437 WeakPolarHBondContact O-CB 3.3Å; H433-Q437 PolarHBondContact O-N 3.14Å; H433-W472 PolarHBondContact ND1-O 3.43Å; H433-T474 PolarHBondContact CE1-OG1 2.94Å |
| 434 | Y | 91.8 | Very high | 89.9 | Confident | 16 Ų | 16 | 39.2 Ų | 39.2 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -40 | 179.8 | -61.3 | -34.6 | 0 | 0 | 0 | 112 | L381 L386 K389 P430 D431 Q437 Y438 | L381-Y434 HydrophobicContact CD1-CD1 4.01Å; L381-Y434 HydrophobicContact CD1-CE1 3.43Å; L381-Y434 VanDerWaalsContact CD1-CE1 3.43Å; L386-Y434 HydrophobicContact CD2-CD1 3.49Å; L386-Y434 VanDerWaalsContact CD2-CD1 3.49Å; L386-Y434 HydrophobicContact CD2-CE1 4.4Å; L386-Y434 HydrophobicContact CD2-CG 3.86Å; K389-Y434 HydrophobicContact CD-CD2 4.14Å; K389-Y434 HydrophobicContact CD-CE2 3.64Å; K389-Y434 HydrophobicContact CG-CD2 4.45Å; K389-Y434 HydrophobicContact CG-CE2 4.32Å; K389-Y434 PolarHBondContact NZ-OH 3.24Å; P430-Y434 HydrophobicContact CB-CD2 4.27Å; P430-Y434 HydrophobicContact CB-CE2 3.65Å; P430-Y434 HydrophobicContact CG-CD2 4.38Å; P430-Y434 HydrophobicContact CG-CE2 3.6Å; P430-Y434 WeakPolarHBondContact O-CD2 3.15Å; P430-Y434 PolarHBondContact O-N 2.78Å; P430-Y434 VanDerWaalsContact O-N 3.1Å; D431-Y434 PolarHBondContact O-N 3.32Å; Y434-Q437 PolarHBondContact O-N 3.32Å; Y434-Y438 VanDerWaalsContact O-CB 3.31Å; Y434-Y438 WeakPolarHBondContact O-CB 3.15Å; Y434-Y438 PolarHBondContact O-N 3.25Å |
| 435 | L | 92.8 | Very high | 90 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 178.1 | 179.9 | 54.7 | 0 | 0 | 0 | 111.9 | L390 F395 I422 P427 D431 H433 Q437 Y438 I439 L463 | L390-L435 HydrophobicContact CD1-CB 4.45Å; L390-L435 HydrophobicContact CD1-CD1 4.43Å; L390-L435 HydrophobicContact CD2-CB 4.12Å; F395-L435 HydrophobicContact CE2-CD1 3.78Å; F395-L435 HydrophobicContact CE2-CD2 4.08Å; F395-L435 HydrophobicContact CE2-CG 4.49Å; F395-L435 HydrophobicContact CZ-CD1 4.27Å; F395-L435 HydrophobicContact CZ-CD2 4.13Å; I422-L435 HydrophobicContact CD1-CD2 3.93Å; I422-L435 HydrophobicContact CG1-CD2 4.35Å; P427-L435 HydrophobicContact CG-CD2 4.39Å; D431-L435 VanDerWaalsContact O-CB 3.29Å; D431-L435 WeakPolarHBondContact O-CB 3.41Å; D431-L435 PolarHBondContact O-N 2.83Å; H433-L435 VanDerWaalsContact C-N 3.32Å; H433-L435 PolarHBondContact O-N 2.67Å; L435-Q437 VanDerWaalsContact C-N 3.33Å; L435-Q437 PolarHBondContact O-N 2.91Å; L435-Y438 PolarHBondContact O-N 3.18Å; L435-I439 HydrophobicContact CD1-CD1 3.89Å; L435-I439 HydrophobicContact CD1-CG1 4.15Å; L435-I439 HydrophobicContact CG-CD1 4.03Å; L435-I439 WeakPolarHBondContact O-CG1 3.37Å; L435-I439 PolarHBondContact O-N 2.7Å; L435-L463 HydrophobicContact CD2-CD1 4.04Å; L435-L463 HydrophobicContact CD2-CD2 4.04Å; L435-L463 HydrophobicContact CG-CD1 4.11Å |
| 436 | L | 93.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 175 | 177.4 | 60.5 | 0 | 0 | 0 | 111.1 | I432 H433 Y438 I439 L440 L460 W472 I473 L477 L481 | I432-L436 PolarHBondContact O-N 3.41Å; I432-L436 VanDerWaalsContact O-N 3.11Å; H433-L436 PolarHBondContact O-N 3.03Å; L436-Y438 VanDerWaalsContact C-N 3.34Å; L436-Y438 PolarHBondContact O-N 2.92Å; L436-I439 PolarHBondContact O-N 3.25Å; L436-L440 HydrophobicContact CD1-CD1 4.01Å; L436-L440 HydrophobicContact CD1-CG 4.21Å; L436-L440 HydrophobicContact CG-CD1 4.12Å; L436-L440 VanDerWaalsContact O-CG 3.29Å; L436-L440 WeakPolarHBondContact O-CG 3.32Å; L436-L440 PolarHBondContact O-N 3.21Å; L436-L440 VanDerWaalsContact O-N 3.07Å; L436-L460 HydrophobicContact CD1-CD2 3.36Å; L436-W472 HydrophobicContact CB-CZ3 4.3Å; L436-W472 HydrophobicContact CD2-CH2 3.92Å; L436-W472 HydrophobicContact CD2-CZ3 3.78Å; L436-I473 HydrophobicContact CD2-CD1 3.36Å; L436-I473 HydrophobicContact CD2-CG1 3.91Å; L436-L477 HydrophobicContact CB-CD2 4.11Å; L436-L477 HydrophobicContact CD2-CD2 3.64Å; L436-L477 HydrophobicContact CD2-CG 4.01Å; L436-L477 HydrophobicContact CG-CD2 3.75Å; L436-L477 HydrophobicContact CG-CG 4.1Å; L436-L481 HydrophobicContact CD1-CD1 4.43Å |
| 437 | Q | 92.9 | Very high | 90.4 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.9 | -37.8 | 178.8 | -168.3 | 177.7 | 27 | 0 | 0 | 113.4 | L379 N380 L386 H433 Y434 L435 H441 L477 | L379-Q437 PolarHBondContact O-NE2 2.73Å; L379-Q437 PolarHBondContact O-OE1 3.15Å; N380-Q437 PolarHBondContact OD1-NE2 2.95Å; N380-Q437 VanDerWaalsContact OD1-NE2 3.09Å; L386-Q437 HydrophobicContact CD1-CB 4.02Å; L386-Q437 HydrophobicContact CD1-CG 3.63Å; H433-Q437 WeakPolarHBondContact O-CB 3.3Å; H433-Q437 PolarHBondContact O-N 3.14Å; Y434-Q437 PolarHBondContact O-N 3.32Å; L435-Q437 VanDerWaalsContact C-N 3.33Å; L435-Q437 PolarHBondContact O-N 2.91Å; Q437-H441 PolarHBondContact O-N 3.02Å; Q437-H441 VanDerWaalsContact O-N 3.09Å; Q437-H441 PolarHBondContact O-ND1 3.06Å; Q437-H441 VanDerWaalsContact O-ND1 3.14Å; Q437-L477 HydrophobicContact CB-CD1 3.93Å; Q437-L477 HydrophobicContact CB-CD2 4.16Å; Q437-L477 HydrophobicContact CG-CD1 3.98Å |
| 438 | Y | 93.9 | Very high | 90.3 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.8 | -49.1 | 175.8 | -175.6 | -108.8 | 0 | 0 | 0 | 111.7 | L386 R387 L390 L400 Y434 L435 L436 L440 H441 C442 | L386-Y438 HydrophobicContact CB-CD2 4.2Å; R387-Y438 HydrophobicContact CB-CD2 4.43Å; R387-Y438 HydrophobicContact CB-CE2 3.8Å; R387-Y438 HydrophobicContact CG-CE2 4.3Å; L390-Y438 HydrophobicContact CD1-CD1 4.47Å; L390-Y438 HydrophobicContact CD1-CG 4.21Å; L400-Y438 VanDerWaalsContact C-OH 3.3Å; L400-Y438 HydrophobicContact CB-CE1 3.92Å; L400-Y438 HydrophobicContact CD2-CE1 4.45Å; L400-Y438 PolarHBondContact O-OH 2.72Å; Y434-Y438 VanDerWaalsContact O-CB 3.31Å; Y434-Y438 WeakPolarHBondContact O-CB 3.15Å; Y434-Y438 PolarHBondContact O-N 3.25Å; L435-Y438 PolarHBondContact O-N 3.18Å; L436-Y438 VanDerWaalsContact C-N 3.34Å; L436-Y438 PolarHBondContact O-N 2.92Å; Y438-L440 VanDerWaalsContact C-N 3.3Å; Y438-L440 PolarHBondContact O-N 2.82Å; Y438-H441 WeakPolarHBondContact O-CB 3.36Å; Y438-H441 PolarHBondContact O-N 2.85Å; Y438-H441 VanDerWaalsContact O-N 3.08Å; Y438-C442 PolarHBondContact O-N 3.38Å; Y438-C442 PolarHBondContact O-SG 3.38Å |
| 439 | I | 94.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.4 | -43.9 | 178.3 | -70.8 | 169.2 | 0 | 0 | 0 | 111.1 | L435 L436 H441 C442 G443 V445 V456 I459 L460 L463 | L435-I439 HydrophobicContact CD1-CD1 3.89Å; L435-I439 HydrophobicContact CD1-CG1 4.15Å; L435-I439 HydrophobicContact CG-CD1 4.03Å; L435-I439 WeakPolarHBondContact O-CG1 3.37Å; L435-I439 PolarHBondContact O-N 2.7Å; L436-I439 PolarHBondContact O-N 3.25Å; I439-H441 VanDerWaalsContact C-N 3.34Å; I439-H441 PolarHBondContact O-N 3.14Å; I439-C442 PolarHBondContact O-N 3.47Å; I439-G443 PolarHBondContact O-N 3.38Å; I439-V445 HydrophobicContact CG2-CG2 4.46Å; I439-V456 HydrophobicContact CG2-CG1 3.58Å; I439-I459 HydrophobicContact CD1-CG2 3.72Å; I439-L460 HydrophobicContact CG2-CD2 4.14Å; I439-L460 HydrophobicContact CG2-CG 4.49Å; I439-L463 HydrophobicContact CD1-CD1 4.43Å |
| 440 | L | 92.9 | Very high | 91 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.1 | -34.2 | 178.4 | -67.6 | 175.8 | 0 | 0 | 0 | 112.5 | L436 Y438 G443 V445 L477 L481 Q484 | L436-L440 HydrophobicContact CD1-CD1 4.01Å; L436-L440 HydrophobicContact CD1-CG 4.21Å; L436-L440 HydrophobicContact CG-CD1 4.12Å; L436-L440 VanDerWaalsContact O-CG 3.29Å; L436-L440 WeakPolarHBondContact O-CG 3.32Å; L436-L440 PolarHBondContact O-N 3.21Å; L436-L440 VanDerWaalsContact O-N 3.07Å; Y438-L440 VanDerWaalsContact C-N 3.3Å; Y438-L440 PolarHBondContact O-N 2.82Å; L440-G443 PolarHBondContact O-N 3.38Å; L440-V445 HydrophobicContact CD2-CG2 4.14Å; L440-L477 HydrophobicContact CD1-CD1 3.68Å; L440-L477 HydrophobicContact CD1-CG 4.03Å; L440-L481 HydrophobicContact CD1-CB 3.98Å; L440-L481 HydrophobicContact CD2-CB 4.38Å; L440-L481 HydrophobicContact CD2-CD1 4.01Å; L440-Q484 HydrophobicContact CD2-CG 4.43Å; L440-Q484 PolarHBondContact O-NE2 2.81Å |
| 441 | H | 89.4 | Confident | 91.4 | Very high | 108 Ų | 108 | 36.2 Ų | 36.2 | 50% | 0.5 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.3 | -38.7 | 173.2 | -96.8 | 89.5 | 0 | 0 | 0 | 112.8 | P383 Q437 Y438 I439 G443 | P383-H441 HydrophobicContact CB-CB 4.34Å; Q437-H441 PolarHBondContact O-N 3.02Å; Q437-H441 VanDerWaalsContact O-N 3.09Å; Q437-H441 PolarHBondContact O-ND1 3.06Å; Q437-H441 VanDerWaalsContact O-ND1 3.14Å; Y438-H441 WeakPolarHBondContact O-CB 3.36Å; Y438-H441 PolarHBondContact O-N 2.85Å; Y438-H441 VanDerWaalsContact O-N 3.08Å; I439-H441 VanDerWaalsContact C-N 3.34Å; I439-H441 PolarHBondContact O-N 3.14Å; H441-G443 PolarHBondContact O-N 2.97Å |
| 442 | C | 89.4 | Confident | 91.8 | Very high | 26 Ų | 26 | 34.7 Ų | 34.7 | 18% | 0.176 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.8 | -16.4 | 178.2 | -63.4 | 0 | 0 | 0 | 0 | 113 | L403 T404 Y438 I439 T444 | L403-C442 HydrophobicContact CD2-CB 4Å; T404-C442 HydrophobicContact CG2-CB 3.82Å; Y438-C442 PolarHBondContact O-N 3.38Å; Y438-C442 PolarHBondContact O-SG 3.38Å; I439-C442 PolarHBondContact O-N 3.47Å; C442-T444 HydrophobicContact CB-CG2 3.91Å; C442-T444 PolarHBondContact O-N 2.77Å |
| 443 | G | 86.6 | Confident | 92 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 30% | 0.299 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 15.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I439 L440 H441 V445 K446 | I439-G443 PolarHBondContact O-N 3.38Å; L440-G443 PolarHBondContact O-N 3.38Å; H441-G443 PolarHBondContact O-N 2.97Å; G443-V445 PolarHBondContact O-N 3.27Å; G443-K446 PolarHBondContact O-N 3.03Å |
| 444 | T | 90.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -70.2 | -18 | -174.3 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | L403 C442 K446 D447 | L403-T444 HydrophobicContact CD2-CG2 3.84Å; L403-T444 HydrophobicContact CG-CG2 4.1Å; C442-T444 HydrophobicContact CB-CG2 3.91Å; C442-T444 PolarHBondContact O-N 2.77Å; T444-K446 PolarHBondContact O-N 3.22Å; T444-D447 VanDerWaalsContact O-CB 3.26Å; T444-D447 WeakPolarHBondContact O-CB 3.25Å; T444-D447 PolarHBondContact O-N 2.66Å; T444-D447 VanDerWaalsContact O-N 3.07Å |
| 445 | V | 92.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -61.8 | -24 | 168.2 | -174 | 0 | 0 | 0 | 0 | 111.7 | I439 L440 G443 R453 V456 L457 L460 Q484 L485 T488 | I439-V445 HydrophobicContact CG2-CG2 4.46Å; L440-V445 HydrophobicContact CD2-CG2 4.14Å; G443-V445 PolarHBondContact O-N 3.27Å; V445-R453 VanDerWaalsContact O-CD 3.23Å; V445-R453 WeakPolarHBondContact O-CD 3.46Å; V445-R453 WeakPolarHBondContact O-CG 3.27Å; V445-V456 HydrophobicContact CG2-CG1 4.14Å; V445-L457 HydrophobicContact CG1-CD2 4.27Å; V445-L460 HydrophobicContact CG2-CD1 3.6Å; V445-Q484 HydrophobicContact CB-CB 4.09Å; V445-Q484 HydrophobicContact CG1-CB 3.94Å; V445-L485 HydrophobicContact CG1-CD2 4.16Å; V445-T488 WeakPolarHBondContact O-CG2 3.4Å |
| 446 | K | 90 | Very high | 92.7 | Very high | 99 Ų | 99 | 37.7 Ų | 37.7 | 43% | 0.43 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -107.9 | 16.3 | 175.3 | -58.2 | -176.4 | -175.2 | 176 | 0 | 112.8 | G443 T444 N448 A487 T488 | G443-K446 PolarHBondContact O-N 3.03Å; T444-K446 PolarHBondContact O-N 3.22Å; K446-N448 PolarHBondContact O-N 3.47Å; K446-A487 HydrophobicContact CD-CB 4.21Å; K446-T488 HydrophobicContact CG-CG2 4.21Å |
| 447 | D | 93 | Very high | 92.9 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 9% | 0.086 | 19% | 0.185 | C | C | . | . | trans | -55.7 | 138.6 | -177 | -162.8 | -59.8 | 0 | 0 | 0 | 111.2 | R411 T444 N449 V452 R453 | R411-D447 IonicContact CZ-OD1 3.97Å; R411-D447 IonicContact CZ-OD2 3.27Å; R411-D447 VanDerWaalsContact CZ-OD2 3.27Å; R411-D447 IonicContact NE-OD1 2.85Å; R411-D447 IonicContact NE-OD2 2.7Å; R411-D447 PolarHBondContact NE-OD2 3.44Å; R411-D447 VanDerWaalsContact NH2-CG 3.35Å; R411-D447 IonicContact NH2-OD1 2.76Å; R411-D447 PolarHBondContact NH2-OD1 3.38Å; R411-D447 IonicContact NH2-OD2 3.03Å; R411-D447 PolarHBondContact NH2-OD2 2.93Å; T444-D447 VanDerWaalsContact O-CB 3.26Å; T444-D447 WeakPolarHBondContact O-CB 3.25Å; T444-D447 PolarHBondContact O-N 2.66Å; T444-D447 VanDerWaalsContact O-N 3.07Å; D447-N449 PolarHBondContact O-N 3.38Å; D447-N449 PolarHBondContact OD1-N 3.43Å; D447-V452 HydrophobicContact CB-CB 4.26Å; D447-V452 HydrophobicContact CB-CG1 4.23Å; D447-V452 WeakPolarHBondContact OD2-CG1 3.34Å; D447-R453 HydrophobicContact CB-CB 4.45Å; D447-R453 PolarHBondContact O-NE 3.37Å; D447-R453 PolarHBondContact O-NH2 3.25Å | ||
| 448 | N | 87.6 | Confident | 93 | Very high | 159 Ų | 159 | 40.2 Ų | 40.2 | 85% | 0.85 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -61.3 | -31.4 | 178 | -69.2 | -33.2 | 0 | 0 | 0 | 112.4 | K446 | K446-N448 PolarHBondContact O-N 3.47Š|
| 449 | N | 91.9 | Very high | 93.1 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 17% | 0.171 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -87.8 | 111.8 | 176.6 | -165.9 | -54.8 | 0 | 0 | 0 | 110.6 | W408 D447 R451 V452 R453 | W408-N449 HydrophobicContact CB-CB 3.93Å; W408-N449 HydrophobicContact CG-CB 4.3Å; W408-N449 VanDerWaalsContact CG-ND2 3.32Å; D447-N449 PolarHBondContact O-N 3.38Å; D447-N449 PolarHBondContact OD1-N 3.43Å; N449-R451 PolarHBondContact O-N 2.89Å; N449-R451 VanDerWaalsContact O-N 3.11Å; N449-R451 WeakPolarHBondContact OD1-CB 3.29Å; N449-R451 PolarHBondContact OD1-N 3.34Å; N449-V452 HydrophobicContact CB-CG2 4.11Å; N449-V452 PolarHBondContact O-N 3.21Å; N449-V452 VanDerWaalsContact O-N 3.14Å; N449-R453 PolarHBondContact O-N 2.97Å; N449-R453 VanDerWaalsContact O-N 3.11Å |
| 450 | F | 92.2 | Very high | 93.2 | Very high | 72 Ų | 72 | 39.8 Ų | 39.8 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.6 | -26.5 | -178.6 | 76.8 | -87.8 | 0 | 0 | 0 | 113.5 | R453 C454 K493 | F450-R453 PolarHBondContact O-N 3.05Å; F450-C454 VanDerWaalsContact O-CB 3.28Å; F450-C454 WeakPolarHBondContact O-CB 3.17Å; F450-C454 PolarHBondContact O-N 3.14Å; F450-C454 PolarHBondContact O-SG 2.97Å; F450-K493 HydrophobicContact CB-CB 4.37Å; F450-K493 HydrophobicContact CB-CD 4.36Å; F450-K493 HydrophobicContact CD1-CD 3.74Å; F450-K493 HydrophobicContact CD2-CB 3.91Å; F450-K493 HydrophobicContact CD2-CD 3.53Å; F450-K493 HydrophobicContact CD2-CG 4.36Å; F450-K493 HydrophobicContact CE1-CD 3.85Å; F450-K493 VanDerWaalsContact CE1-NZ 3.27Å; F450-K493 HydrophobicContact CE2-CD 3.64Å; F450-K493 HydrophobicContact CG-CB 4.23Å; F450-K493 HydrophobicContact CG-CD 3.58Å; F450-K493 HydrophobicContact CZ-CD 3.8Å |
| 451 | R | 94.2 | Very high | 93.3 | Very high | 142 Ų | 142 | 40.4 Ų | 40.4 | 54% | 0.536 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.9 | -46 | 177 | -68.4 | -174.4 | 168.3 | -172.5 | -3.1 | 111.7 | L412 N449 R453 C454 E455 | L412-R451 HydrophobicContact CD1-CB 4.3Å; L412-R451 HydrophobicContact CD2-CB 4.1Å; N449-R451 PolarHBondContact O-N 2.89Å; N449-R451 VanDerWaalsContact O-N 3.11Å; N449-R451 WeakPolarHBondContact OD1-CB 3.29Å; N449-R451 PolarHBondContact OD1-N 3.34Å; R451-R453 VanDerWaalsContact C-N 3.31Å; R451-C454 PolarHBondContact O-N 3.47Å; R451-E455 PolarHBondContact O-N 2.61Å |
| 452 | V | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 174.9 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | W408 R411 L412 D447 N449 C454 E455 V456 | W408-V452 HydrophobicContact CB-CG2 4.28Å; W408-V452 WeakPolarHBondContact O-CG2 3.46Å; R411-V452 HydrophobicContact CB-CG1 4.02Å; R411-V452 HydrophobicContact CB-CG2 4.14Å; L412-V452 HydrophobicContact CB-CG2 3.95Å; D447-V452 HydrophobicContact CB-CB 4.26Å; D447-V452 HydrophobicContact CB-CG1 4.23Å; D447-V452 WeakPolarHBondContact OD2-CG1 3.34Å; N449-V452 HydrophobicContact CB-CG2 4.11Å; N449-V452 PolarHBondContact O-N 3.21Å; N449-V452 VanDerWaalsContact O-N 3.14Å; V452-C454 PolarHBondContact O-N 3.19Å; V452-E455 PolarHBondContact O-N 2.93Å; V452-V456 WeakPolarHBondContact O-CG2 3.43Å; V452-V456 PolarHBondContact O-N 3.47Å |
| 453 | R | 95.2 | Very high | 93.5 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 9% | 0.087 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.1 | -47.8 | 178.8 | -161.4 | -169.2 | -58.5 | 155.1 | -2.8 | 112.6 | V445 D447 N449 F450 R451 E455 V456 L457 D491 S494 | V445-R453 VanDerWaalsContact O-CD 3.23Å; V445-R453 WeakPolarHBondContact O-CD 3.46Å; V445-R453 WeakPolarHBondContact O-CG 3.27Å; D447-R453 HydrophobicContact CB-CB 4.45Å; D447-R453 PolarHBondContact O-NE 3.37Å; D447-R453 PolarHBondContact O-NH2 3.25Å; N449-R453 PolarHBondContact O-N 2.97Å; N449-R453 VanDerWaalsContact O-N 3.11Å; F450-R453 PolarHBondContact O-N 3.05Å; R451-R453 VanDerWaalsContact C-N 3.31Å; R453-E455 VanDerWaalsContact C-N 3.35Å; R453-E455 PolarHBondContact O-N 2.94Å; R453-V456 PolarHBondContact O-N 3.1Å; R453-L457 HydrophobicContact CG-CD1 4.28Å; R453-L457 VanDerWaalsContact O-CG 3.29Å; R453-L457 WeakPolarHBondContact O-CG 3.45Å; R453-L457 PolarHBondContact O-N 2.88Å; R453-D491 VanDerWaalsContact NH1-CG 3.31Å; R453-D491 IonicContact NH1-OD1 2.72Å; R453-D491 PolarHBondContact NH1-OD1 2.9Å; R453-D491 VanDerWaalsContact NH1-OD1 3.17Å; R453-D491 IonicContact NH1-OD2 3.07Å; R453-S494 PolarHBondContact NH1-OG 3.09Å |
| 454 | C | 96.2 | Very high | 93.8 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 15% | 0.149 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 179.1 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | F450 R451 V452 L457 N458 L497 | F450-C454 VanDerWaalsContact O-CB 3.28Å; F450-C454 WeakPolarHBondContact O-CB 3.17Å; F450-C454 PolarHBondContact O-N 3.14Å; F450-C454 PolarHBondContact O-SG 2.97Å; R451-C454 PolarHBondContact O-N 3.47Å; V452-C454 PolarHBondContact O-N 3.19Å; C454-L457 PolarHBondContact O-N 3.44Å; C454-N458 PolarHBondContact O-N 2.93Å; C454-N458 PolarHBondContact O-ND2 3.35Å; C454-L497 HydrophobicContact CB-CD1 3.6Å |
| 455 | E | 97 | Very high | 93.7 | Very high | 34 Ų | 34 | 38.8 Ų | 38.8 | 16% | 0.159 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -39.4 | 178 | -167.3 | 59.8 | -162.8 | 0 | 0 | 111.9 | L412 A415 E416 N419 R451 V452 R453 N458 I459 | L412-E455 HydrophobicContact CD1-CB 4Å; L412-E455 HydrophobicContact CD1-CG 4.41Å; A415-E455 HydrophobicContact CB-CB 4.18Å; A415-E455 HydrophobicContact CB-CG 3.85Å; E416-E455 HydrophobicContact CG-CG 4.04Å; N419-E455 WeakPolarHBondContact CB-OE1 3.42Å; N419-E455 PolarHBondContact ND2-OE1 2.97Å; R451-E455 PolarHBondContact O-N 2.61Å; V452-E455 PolarHBondContact O-N 2.93Å; R453-E455 VanDerWaalsContact C-N 3.35Å; R453-E455 PolarHBondContact O-N 2.94Å; E455-N458 WeakPolarHBondContact O-CB 3.44Å; E455-N458 PolarHBondContact O-N 3.13Å; E455-N458 PolarHBondContact OE2-ND2 3.36Å; E455-I459 WeakPolarHBondContact O-CG1 3.45Å; E455-I459 PolarHBondContact O-N 3.3Å |
| 456 | V | 96.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -38.6 | 173.9 | 171.5 | 0 | 0 | 0 | 0 | 112.1 | A415 I439 V445 V452 R453 N458 I459 L460 | A415-V456 HydrophobicContact CB-CG2 4.21Å; I439-V456 HydrophobicContact CG2-CG1 3.58Å; V445-V456 HydrophobicContact CG2-CG1 4.14Å; V452-V456 WeakPolarHBondContact O-CG2 3.43Å; V452-V456 PolarHBondContact O-N 3.47Å; R453-V456 PolarHBondContact O-N 3.1Å; V456-N458 VanDerWaalsContact C-N 3.32Å; V456-N458 PolarHBondContact O-N 3.37Å; V456-I459 WeakPolarHBondContact O-CB 3.4Å; V456-I459 PolarHBondContact O-N 2.95Å; V456-L460 HydrophobicContact CG1-CD1 4.31Å; V456-L460 HydrophobicContact CG1-CG 4.48Å; V456-L460 WeakPolarHBondContact O-CG 3.37Å; V456-L460 PolarHBondContact O-N 3.16Å |
| 457 | L | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -36.2 | 174.5 | -71.9 | 166.5 | 0 | 0 | 0 | 112 | V445 R453 C454 I459 L460 S461 L485 L497 V498 | V445-L457 HydrophobicContact CG1-CD2 4.27Å; R453-L457 HydrophobicContact CG-CD1 4.28Å; R453-L457 VanDerWaalsContact O-CG 3.29Å; R453-L457 WeakPolarHBondContact O-CG 3.45Å; R453-L457 PolarHBondContact O-N 2.88Å; C454-L457 PolarHBondContact O-N 3.44Å; L457-I459 VanDerWaalsContact C-N 3.35Å; L457-L460 PolarHBondContact O-N 2.86Å; L457-S461 WeakPolarHBondContact O-CB 3.47Å; L457-S461 PolarHBondContact O-N 3.32Å; L457-L485 HydrophobicContact CD2-CD2 3.47Å; L457-L485 VanDerWaalsContact CD2-CD2 3.47Å; L457-L497 HydrophobicContact CB-CB 4Å; L457-L497 HydrophobicContact CD1-CB 3.97Å; L457-V498 HydrophobicContact CD1-CG2 3.67Å; L457-V498 HydrophobicContact CD2-CG2 3.95Å |
| 458 | N | 96 | Very high | 91.4 | Very high | 58 Ų | 58 | 47 Ų | 47 | 31% | 0.31 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 172 | -70.6 | -31.1 | 0 | 0 | 0 | 111.4 | C454 E455 V456 K462 L497 | C454-N458 PolarHBondContact O-N 2.93Å; C454-N458 PolarHBondContact O-ND2 3.35Å; E455-N458 WeakPolarHBondContact O-CB 3.44Å; E455-N458 PolarHBondContact O-N 3.13Å; E455-N458 PolarHBondContact OE2-ND2 3.36Å; V456-N458 VanDerWaalsContact C-N 3.32Å; V456-N458 PolarHBondContact O-N 3.37Å; N458-K462 WeakPolarHBondContact O-CB 3.37Å; N458-K462 PolarHBondContact O-N 3.35Å; N458-L497 VanDerWaalsContact OD1-CD2 3.24Å; N458-L497 WeakPolarHBondContact OD1-CD2 3.48Å |
| 459 | I | 95.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.6 | -51.4 | 174.3 | -68.4 | 161.4 | 0 | 0 | 0 | 110.2 | A415 I418 N419 I422 I439 E455 V456 L457 S461 K462 L463 | A415-I459 HydrophobicContact CB-CD1 4.37Å; A415-I459 WeakPolarHBondContact O-CD1 3.41Å; I418-I459 HydrophobicContact CB-CD1 4.12Å; I418-I459 HydrophobicContact CG2-CD1 3.75Å; I418-I459 HydrophobicContact CG2-CG1 4.34Å; I418-I459 HydrophobicContact CG2-CG2 4.35Å; N419-I459 HydrophobicContact CB-CD1 4.22Å; N419-I459 HydrophobicContact CB-CG1 3.77Å; I422-I459 HydrophobicContact CD1-CG1 4.48Å; I422-I459 HydrophobicContact CD1-CG2 3.61Å; I439-I459 HydrophobicContact CD1-CG2 3.72Å; E455-I459 WeakPolarHBondContact O-CG1 3.45Å; E455-I459 PolarHBondContact O-N 3.3Å; V456-I459 WeakPolarHBondContact O-CB 3.4Å; V456-I459 PolarHBondContact O-N 2.95Å; L457-I459 VanDerWaalsContact C-N 3.35Å; I459-S461 PolarHBondContact O-N 2.88Å; I459-K462 WeakPolarHBondContact O-CB 3.25Å; I459-K462 PolarHBondContact O-N 3.3Å; I459-K462 VanDerWaalsContact O-N 3.12Å; I459-L463 HydrophobicContact CG2-CD1 4.02Å; I459-L463 HydrophobicContact CG2-CG 4.26Å; I459-L463 WeakPolarHBondContact O-CG 3.48Å; I459-L463 PolarHBondContact O-N 3.02Å |
| 460 | L | 96.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | -178.1 | -70 | 175.6 | 0 | 0 | 0 | 112.7 | L436 I439 V445 V456 L457 K462 L463 L464 L481 T501 | L436-L460 HydrophobicContact CD1-CD2 3.36Å; I439-L460 HydrophobicContact CG2-CD2 4.14Å; I439-L460 HydrophobicContact CG2-CG 4.49Å; V445-L460 HydrophobicContact CG2-CD1 3.6Å; V456-L460 HydrophobicContact CG1-CD1 4.31Å; V456-L460 HydrophobicContact CG1-CG 4.48Å; V456-L460 WeakPolarHBondContact O-CG 3.37Å; V456-L460 PolarHBondContact O-N 3.16Å; L457-L460 PolarHBondContact O-N 2.86Å; L460-K462 PolarHBondContact O-N 3.23Å; L460-L463 PolarHBondContact O-N 3.47Å; L460-L464 WeakPolarHBondContact O-CD1 2.96Å; L460-L464 VanDerWaalsContact O-CG 3.27Å; L460-L464 WeakPolarHBondContact O-CG 3.19Å; L460-L464 PolarHBondContact O-N 2.92Å; L460-L481 HydrophobicContact CD1-CD1 3.99Å; L460-L481 HydrophobicContact CD2-CD1 4.43Å; L460-T501 HydrophobicContact CB-CG2 4.07Å |
| 461 | S | 94.6 | Very high | 88.2 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.5 | -38.8 | 174.6 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | L457 I459 S465 D504 | L457-S461 WeakPolarHBondContact O-CB 3.47Å; L457-S461 PolarHBondContact O-N 3.32Å; I459-S461 PolarHBondContact O-N 2.88Å; S461-S465 VanDerWaalsContact O-CB 3.26Å; S461-S465 WeakPolarHBondContact O-CB 3.13Å; S461-S465 PolarHBondContact O-N 3.29Å; S461-S465 PolarHBondContact O-OG 3.03Å; S461-D504 WeakPolarHBondContact CA-OD2 3.49Å; S461-D504 VanDerWaalsContact CB-OD2 3.28Å; S461-D504 WeakPolarHBondContact CB-OD2 3.42Å; S461-D504 PolarHBondContact OG-OD2 2.82Å |
| 462 | K | 91.4 | Very high | 87.6 | Confident | 72 Ų | 72 | 42.3 Ų | 42.3 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.3 | -44.9 | 177.7 | -164.2 | 146 | -168.6 | 157.3 | 0 | 113.3 | I422 N423 N458 I459 L460 L464 S465 Q466 | I422-K462 HydrophobicContact CG2-CD 4.48Å; I422-K462 HydrophobicContact CG2-CG 4.24Å; N423-K462 WeakPolarHBondContact OD1-CD 3.42Å; N423-K462 WeakPolarHBondContact OD1-CE 3.32Å; N423-K462 PolarHBondContact OD1-NZ 3.39Å; N458-K462 WeakPolarHBondContact O-CB 3.37Å; N458-K462 PolarHBondContact O-N 3.35Å; I459-K462 WeakPolarHBondContact O-CB 3.25Å; I459-K462 PolarHBondContact O-N 3.3Å; I459-K462 VanDerWaalsContact O-N 3.12Å; L460-K462 PolarHBondContact O-N 3.23Å; K462-L464 VanDerWaalsContact C-N 3.3Å; K462-L464 PolarHBondContact O-N 3.37Å; K462-S465 WeakPolarHBondContact CA-OG 3.47Å; K462-S465 PolarHBondContact O-N 3.4Å; K462-S465 PolarHBondContact O-OG 2.92Å; K462-Q466 HydrophobicContact CG-CG 4.47Å; K462-Q466 WeakPolarHBondContact O-CB 3.21Å; K462-Q466 VanDerWaalsContact O-CG 3.25Å; K462-Q466 WeakPolarHBondContact O-CG 3.39Å; K462-Q466 PolarHBondContact O-N 3.28Å; K462-Q466 VanDerWaalsContact O-N 3.12Å |
| 463 | L | 92.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 177 | -65.4 | 178.3 | 0 | 0 | 0 | 111.4 | I422 P427 I432 L435 I439 I459 L460 N467 | I422-L463 HydrophobicContact CD1-CD2 4.06Å; I422-L463 HydrophobicContact CG2-CD2 4.33Å; P427-L463 HydrophobicContact CG-CD2 3.53Å; I432-L463 HydrophobicContact CD1-CB 4.43Å; I432-L463 HydrophobicContact CG1-CD2 4.25Å; L435-L463 HydrophobicContact CD2-CD1 4.04Å; L435-L463 HydrophobicContact CD2-CD2 4.04Å; L435-L463 HydrophobicContact CG-CD1 4.11Å; I439-L463 HydrophobicContact CD1-CD1 4.43Å; I459-L463 HydrophobicContact CG2-CD1 4.02Å; I459-L463 HydrophobicContact CG2-CG 4.26Å; I459-L463 WeakPolarHBondContact O-CG 3.48Å; I459-L463 PolarHBondContact O-N 3.02Å; L460-L463 PolarHBondContact O-N 3.47Å; L463-N467 PolarHBondContact O-ND2 3.23Å |
| 464 | L | 92.3 | Very high | 86.6 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.6 | -47.3 | 179.2 | -65.7 | 166.1 | 0 | 0 | 0 | 112.3 | L460 K462 Q466 N467 W472 L481 T501 D504 V505 V508 | L460-L464 WeakPolarHBondContact O-CD1 2.96Å; L460-L464 VanDerWaalsContact O-CG 3.27Å; L460-L464 WeakPolarHBondContact O-CG 3.19Å; L460-L464 PolarHBondContact O-N 2.92Å; K462-L464 VanDerWaalsContact C-N 3.3Å; K462-L464 PolarHBondContact O-N 3.37Å; L464-Q466 VanDerWaalsContact C-N 3.29Å; L464-Q466 PolarHBondContact O-N 3.46Å; L464-N467 PolarHBondContact O-N 2.95Å; L464-W472 HydrophobicContact CD2-CH2 4.26Å; L464-W472 HydrophobicContact CD2-CZ2 4.15Å; L464-L481 HydrophobicContact CD1-CD2 4.2Å; L464-L481 HydrophobicContact CD2-CD2 4.29Å; L464-T501 HydrophobicContact CD1-CG2 3.66Å; L464-D504 HydrophobicContact CB-CB 3.72Å; L464-D504 HydrophobicContact CD1-CB 4.19Å; L464-V505 HydrophobicContact CD1-CG2 3.72Å; L464-V508 HydrophobicContact CB-CG2 4.23Å; L464-V508 HydrophobicContact CD2-CG2 4.03Å |
| 465 | S | 88.3 | Confident | 85.8 | Confident | 55 Ų | 55 | 47 Ų | 47 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.7 | -26.6 | -177 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | S461 K462 N467 | S461-S465 VanDerWaalsContact O-CB 3.26Å; S461-S465 WeakPolarHBondContact O-CB 3.13Å; S461-S465 PolarHBondContact O-N 3.29Å; S461-S465 PolarHBondContact O-OG 3.03Å; K462-S465 WeakPolarHBondContact CA-OG 3.47Å; K462-S465 PolarHBondContact O-N 3.4Å; K462-S465 PolarHBondContact O-OG 2.92Å; S465-N467 VanDerWaalsContact C-N 3.34Å |
| 466 | Q | 83.5 | Confident | 85.1 | Confident | 71 Ų | 71 | 49.6 Ų | 49.6 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -75.4 | -20.3 | 175.9 | -73.2 | 175.7 | -20.3 | 0 | 0 | 113.2 | K462 L464 | K462-Q466 HydrophobicContact CG-CG 4.47Å; K462-Q466 WeakPolarHBondContact O-CB 3.21Å; K462-Q466 VanDerWaalsContact O-CG 3.25Å; K462-Q466 WeakPolarHBondContact O-CG 3.39Å; K462-Q466 PolarHBondContact O-N 3.28Å; K462-Q466 VanDerWaalsContact O-N 3.12Å; L464-Q466 VanDerWaalsContact C-N 3.29Å; L464-Q466 PolarHBondContact O-N 3.46Å |
| 467 | N | 77.1 | Confident | 84.7 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | trans | -128.5 | 91.7 | -170.4 | -69.8 | -84.4 | 0 | 0 | 0 | 112.2 | I432 L463 L464 S465 S469 W472 V508 | I432-N467 HydrophobicContact CD1-CB 4.1Å; I432-N467 VanDerWaalsContact CD1-CG 3.48Å; I432-N467 WeakPolarHBondContact CD1-ND2 3.43Å; L463-N467 PolarHBondContact O-ND2 3.23Å; L464-N467 PolarHBondContact O-N 2.95Å; S465-N467 VanDerWaalsContact C-N 3.34Å; N467-S469 VanDerWaalsContact C-N 3.32Å; N467-S469 PolarHBondContact O-N 2.75Å; N467-W472 HydrophobicContact CB-CZ2 4.2Å; N467-W472 VanDerWaalsContact CB-NE1 3.33Å; N467-W472 PolarHBondContact O-NE1 3.42Å; N467-V508 WeakPolarHBondContact O-CG2 3.26Å | ||
| 468 | K | 67.8 | Low | 84.4 | Confident | 174 Ų | 174 | 50.4 Ų | 50.4 | 76% | 0.757 | 27% | 0.271 | S | S | * | . | trans | -74.7 | -12.7 | -174.8 | -61.8 | -175.8 | 179.1 | -177.1 | 0 | 115.5 | ||||
| 469 | S | 68.1 | Low | 84 | Confident | 61 Ų | 61 | 49.6 Ų | 49.6 | 43% | 0.427 | 27% | 0.272 | S | S | . | . | trans | -91.8 | 143.3 | 179.6 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | N467 N471 W472 | N467-S469 VanDerWaalsContact C-N 3.32Å; N467-S469 PolarHBondContact O-N 2.75Å; S469-N471 VanDerWaalsContact C-N 3.29Å; S469-N471 PolarHBondContact O-N 3.36Å; S469-N471 PolarHBondContact OG-N 3.24Å; S469-W472 PolarHBondContact O-NE1 2.74Å | ||
| 470 | Q | 62.4 | Low | 83.7 | Confident | 79 Ų | 79 | 51.7 Ų | 51.7 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -74.9 | -15.9 | 176.6 | -168.3 | 175.9 | -3 | 0 | 0 | 113.1 | W472 I473 I509 | Q470-W472 PolarHBondContact O-N 3.25Å; Q470-I473 HydrophobicContact CG-CG2 4.22Å; Q470-I473 WeakPolarHBondContact O-CG2 3.23Å; Q470-I473 PolarHBondContact O-N 3.06Å; Q470-I509 HydrophobicContact CG-CG2 4.31Å |
| 471 | N | 73.1 | Confident | 83.7 | Confident | 150 Ų | 150 | 51.7 Ų | 51.7 | 80% | 0.802 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -63.7 | -15.4 | -166.7 | -64.6 | -7.9 | 0 | 0 | 0 | 115 | S469 | S469-N471 VanDerWaalsContact C-N 3.29Å; S469-N471 PolarHBondContact O-N 3.36Å; S469-N471 PolarHBondContact OG-N 3.24Å |
| 472 | W | 82 | Confident | 83.7 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 6% | 0.057 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -92 | -13.2 | 179 | 69.7 | -88.9 | 0 | 0 | 0 | 113.7 | Y429 I432 H433 L436 L464 N467 S469 Q470 | Y429-W472 HydrophobicContact CD2-CB 3.87Å; I432-W472 HydrophobicContact CB-CE3 4.29Å; I432-W472 HydrophobicContact CB-CZ3 4.45Å; I432-W472 HydrophobicContact CD1-CD2 4.12Å; I432-W472 HydrophobicContact CD1-CE3 4.03Å; I432-W472 HydrophobicContact CD1-CH2 3.87Å; I432-W472 HydrophobicContact CD1-CZ2 3.99Å; I432-W472 HydrophobicContact CD1-CZ3 3.92Å; I432-W472 HydrophobicContact CG1-CD2 4.38Å; I432-W472 HydrophobicContact CG1-CE3 3.8Å; I432-W472 HydrophobicContact CG1-CH2 3.95Å; I432-W472 HydrophobicContact CG1-CZ3 3.57Å; I432-W472 HydrophobicContact CG2-CB 4.25Å; I432-W472 HydrophobicContact CG2-CD2 4.05Å; I432-W472 HydrophobicContact CG2-CE3 3.7Å; I432-W472 HydrophobicContact CG2-CG 4.31Å; I432-W472 HydrophobicContact CG2-CZ3 4.35Å; H433-W472 PolarHBondContact ND1-O 3.43Å; L436-W472 HydrophobicContact CB-CZ3 4.3Å; L436-W472 HydrophobicContact CD2-CH2 3.92Å; L436-W472 HydrophobicContact CD2-CZ3 3.78Å; L464-W472 HydrophobicContact CD2-CH2 4.26Å; L464-W472 HydrophobicContact CD2-CZ2 4.15Å; N467-W472 HydrophobicContact CB-CZ2 4.2Å; N467-W472 VanDerWaalsContact CB-NE1 3.33Å; N467-W472 PolarHBondContact O-NE1 3.42Å; S469-W472 PolarHBondContact O-NE1 2.74Å; Q470-W472 PolarHBondContact O-N 3.25Å |
| 473 | I | 86.6 | Confident | 83.7 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -117.9 | 130.2 | -175.3 | -167.2 | 177.1 | 0 | 0 | 0 | 111.3 | L436 Q470 L477 I478 V508 | L436-I473 HydrophobicContact CD2-CD1 3.36Å; L436-I473 HydrophobicContact CD2-CG1 3.91Å; Q470-I473 HydrophobicContact CG-CG2 4.22Å; Q470-I473 WeakPolarHBondContact O-CG2 3.23Å; Q470-I473 PolarHBondContact O-N 3.06Å; I473-L477 HydrophobicContact CG1-CB 4.17Å; I473-L477 HydrophobicContact CG1-CD2 4.21Å; I473-L477 HydrophobicContact CG1-CG 4.46Å; I473-I478 HydrophobicContact CD1-CG1 3.58Å; I473-I478 HydrophobicContact CG1-CG1 3.84Å; I473-I478 HydrophobicContact CG2-CD1 3.96Å; I473-I478 HydrophobicContact CG2-CG1 4.05Å; I473-V508 HydrophobicContact CG2-CG1 3.99Å |
| 474 | T | 84.7 | Confident | 83.8 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | trans | -81.6 | 152.1 | 179 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | L379 H433 T476 L477 I478 | L379-T474 HydrophobicContact CD1-CG2 4.25Å; H433-T474 PolarHBondContact CE1-OG1 2.94Å; T474-T476 VanDerWaalsContact C-N 3.25Å; T474-T476 PolarHBondContact O-N 2.94Å; T474-T476 PolarHBondContact OG1-OG1 2.85Å; T474-L477 PolarHBondContact O-N 3.44Å; T474-L477 VanDerWaalsContact OG1-CB 3.32Å; T474-L477 WeakPolarHBondContact OG1-CB 3.09Å; T474-I478 PolarHBondContact O-N 3.25Å | ||
| 475 | T | 79.4 | Confident | 84 | Confident | 96 Ų | 96 | 50.1 Ų | 50.1 | 59% | 0.589 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -57.9 | -36.7 | 178 | -45 | 0 | 0 | 0 | 0 | 112.8 | L477 I478 A479 | T475-L477 VanDerWaalsContact C-N 3.33Å; T475-I478 PolarHBondContact O-N 2.62Å; T475-A479 PolarHBondContact O-N 3.47Å; T475-A479 VanDerWaalsContact O-N 3.09Å |
| 476 | T | 81.8 | Confident | 84.3 | Confident | 90 Ų | 90 | 47.5 Ų | 47.5 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.4 | -39.6 | 175.3 | 43.5 | 0 | 0 | 0 | 0 | 111.8 | T474 A479 S480 | T474-T476 VanDerWaalsContact C-N 3.25Å; T474-T476 PolarHBondContact O-N 2.94Å; T474-T476 PolarHBondContact OG1-OG1 2.85Å; T476-A479 PolarHBondContact O-N 3.4Å; T476-S480 PolarHBondContact O-N 3.48Å |
| 477 | L | 88.5 | Confident | 84.6 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.4 | -37.7 | -180 | -159.7 | 64.6 | 0 | 0 | 0 | 112.2 | L436 Q437 L440 I473 T474 T475 A479 S480 L481 | L436-L477 HydrophobicContact CB-CD2 4.11Å; L436-L477 HydrophobicContact CD2-CD2 3.64Å; L436-L477 HydrophobicContact CD2-CG 4.01Å; L436-L477 HydrophobicContact CG-CD2 3.75Å; L436-L477 HydrophobicContact CG-CG 4.1Å; Q437-L477 HydrophobicContact CB-CD1 3.93Å; Q437-L477 HydrophobicContact CB-CD2 4.16Å; Q437-L477 HydrophobicContact CG-CD1 3.98Å; L440-L477 HydrophobicContact CD1-CD1 3.68Å; L440-L477 HydrophobicContact CD1-CG 4.03Å; I473-L477 HydrophobicContact CG1-CB 4.17Å; I473-L477 HydrophobicContact CG1-CD2 4.21Å; I473-L477 HydrophobicContact CG1-CG 4.46Å; T474-L477 PolarHBondContact O-N 3.44Å; T474-L477 VanDerWaalsContact OG1-CB 3.32Å; T474-L477 WeakPolarHBondContact OG1-CB 3.09Å; T475-L477 VanDerWaalsContact C-N 3.33Å; L477-A479 VanDerWaalsContact C-N 3.34Å; L477-A479 PolarHBondContact O-N 3.3Å; L477-S480 PolarHBondContact O-N 3.27Å; L477-L481 WeakPolarHBondContact O-CB 3.38Å; L477-L481 PolarHBondContact O-N 3.33Å |
| 478 | I | 90.2 | Very high | 85.2 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.3 | -48.2 | 171.1 | -68.3 | 158.7 | 0 | 0 | 0 | 110.6 | I473 T474 T475 S480 L481 C482 I509 | I473-I478 HydrophobicContact CD1-CG1 3.58Å; I473-I478 HydrophobicContact CG1-CG1 3.84Å; I473-I478 HydrophobicContact CG2-CD1 3.96Å; I473-I478 HydrophobicContact CG2-CG1 4.05Å; T474-I478 PolarHBondContact O-N 3.25Å; T475-I478 PolarHBondContact O-N 2.62Å; I478-S480 PolarHBondContact O-N 2.94Å; I478-L481 PolarHBondContact O-N 3.4Å; I478-C482 WeakPolarHBondContact O-CB 3.38Å; I478-C482 PolarHBondContact O-N 2.95Å; I478-C482 PolarHBondContact O-SG 3.37Å; I478-I509 HydrophobicContact CD1-CG2 3.48Å; I478-I509 VanDerWaalsContact CD1-CG2 3.48Å; I478-I509 HydrophobicContact CG1-CG2 3.96Å; I478-I509 HydrophobicContact CG2-CD1 3.78Å; I478-I509 HydrophobicContact CG2-CG2 4.38Å |
| 479 | A | 87.8 | Confident | 86.5 | Confident | 41 Ų | 41 | 36.2 Ų | 36.2 | 34% | 0.339 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T475 T476 L477 C482 D483 | T475-A479 PolarHBondContact O-N 3.47Å; T475-A479 VanDerWaalsContact O-N 3.09Å; T476-A479 PolarHBondContact O-N 3.4Å; L477-A479 VanDerWaalsContact C-N 3.34Å; L477-A479 PolarHBondContact O-N 3.3Å; A479-C482 PolarHBondContact O-N 2.97Å; A479-D483 WeakPolarHBondContact O-CB 3.34Å; A479-D483 PolarHBondContact O-N 3.42Å |
| 480 | S | 90.2 | Very high | 87.6 | Confident | 45 Ų | 45 | 35.2 Ų | 35.2 | 32% | 0.315 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 175.5 | -176.6 | 0 | 0 | 0 | 0 | 112 | T476 L477 I478 C482 D483 Q484 | T476-S480 PolarHBondContact O-N 3.48Å; L477-S480 PolarHBondContact O-N 3.27Å; I478-S480 PolarHBondContact O-N 2.94Å; S480-C482 PolarHBondContact O-N 3.34Å; S480-D483 PolarHBondContact O-N 2.78Å; S480-Q484 WeakPolarHBondContact O-CG 3.45Å; S480-Q484 PolarHBondContact O-N 3.2Å |
| 481 | L | 95.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.5 | -52.1 | 175.9 | 175.3 | 61.2 | 0 | 0 | 0 | 111.2 | L436 L440 L460 L464 L477 I478 D483 Q484 L485 V505 | L436-L481 HydrophobicContact CD1-CD1 4.43Å; L440-L481 HydrophobicContact CD1-CB 3.98Å; L440-L481 HydrophobicContact CD2-CB 4.38Å; L440-L481 HydrophobicContact CD2-CD1 4.01Å; L460-L481 HydrophobicContact CD1-CD1 3.99Å; L460-L481 HydrophobicContact CD2-CD1 4.43Å; L464-L481 HydrophobicContact CD1-CD2 4.2Å; L464-L481 HydrophobicContact CD2-CD2 4.29Å; L477-L481 WeakPolarHBondContact O-CB 3.38Å; L477-L481 PolarHBondContact O-N 3.33Å; I478-L481 PolarHBondContact O-N 3.4Å; L481-D483 PolarHBondContact O-N 3.24Å; L481-Q484 PolarHBondContact O-N 3.28Å; L481-L485 HydrophobicContact CD1-CD1 3.93Å; L481-L485 HydrophobicContact CD1-CG 4.08Å; L481-L485 HydrophobicContact CG-CD1 3.92Å; L481-L485 HydrophobicContact CG-CG 4.44Å; L481-L485 VanDerWaalsContact O-CG 3.32Å; L481-L485 WeakPolarHBondContact O-CG 3.43Å; L481-L485 PolarHBondContact O-N 3.13Å; L481-V505 HydrophobicContact CD2-CG2 3.92Å |
| 482 | C | 94.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.6 | -48.7 | 179.7 | -69.5 | 0 | 0 | 0 | 0 | 111.7 | I478 A479 S480 Q484 L485 F486 C517 | I478-C482 WeakPolarHBondContact O-CB 3.38Å; I478-C482 PolarHBondContact O-N 2.95Å; I478-C482 PolarHBondContact O-SG 3.37Å; A479-C482 PolarHBondContact O-N 2.97Å; S480-C482 PolarHBondContact O-N 3.34Å; C482-Q484 PolarHBondContact O-N 3.27Å; C482-L485 PolarHBondContact O-N 2.83Å; C482-F486 HydrophobicContact CB-CD2 4.43Å; C482-F486 HydrophobicContact CB-CE1 4.19Å; C482-F486 HydrophobicContact CB-CE2 3.72Å; C482-F486 HydrophobicContact CB-CZ 3.59Å; C482-F486 WeakPolarHBondContact O-CB 3.4Å; C482-F486 VanDerWaalsContact O-CD1 3.28Å; C482-F486 WeakPolarHBondContact O-CD1 3.42Å; C482-F486 VanDerWaalsContact O-CD2 3.23Å; C482-F486 WeakPolarHBondContact O-CD2 3.37Å; C482-F486 WeakPolarHBondContact O-CG 3.3Å; C482-F486 PolarHBondContact O-N 3.01Å; C482-C517 HydrophobicContact CB-CB 4.32Å |
| 483 | D | 91.7 | Very high | 89.9 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 25% | 0.246 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -31.1 | 178.9 | -80.6 | -13.8 | 0 | 0 | 0 | 112.3 | A479 S480 L481 K524 | A479-D483 WeakPolarHBondContact O-CB 3.34Å; A479-D483 PolarHBondContact O-N 3.42Å; S480-D483 PolarHBondContact O-N 2.78Å; L481-D483 PolarHBondContact O-N 3.24Å; D483-K524 IonicContact OD1-NZ 3.54Å; D483-K524 PolarHBondContact OD1-NZ 3.33Å; D483-K524 IonicContact OD2-NZ 3.12Å; D483-K524 PolarHBondContact OD2-NZ 3.29Å |
| 484 | Q | 94.1 | Very high | 90.2 | Very high | 19 Ų | 19 | 36.3 Ų | 36.3 | 9% | 0.089 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -77.6 | -41.9 | 174.8 | -64 | -164.5 | 42 | 0 | 0 | 113.5 | L440 V445 S480 L481 C482 A487 | L440-Q484 HydrophobicContact CD2-CG 4.43Å; L440-Q484 PolarHBondContact O-NE2 2.81Å; V445-Q484 HydrophobicContact CB-CB 4.09Å; V445-Q484 HydrophobicContact CG1-CB 3.94Å; S480-Q484 WeakPolarHBondContact O-CG 3.45Å; S480-Q484 PolarHBondContact O-N 3.2Å; L481-Q484 PolarHBondContact O-N 3.28Å; C482-Q484 PolarHBondContact O-N 3.27Å; Q484-A487 PolarHBondContact O-N 3.27Å |
| 485 | L | 96.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -45.3 | 175.4 | -70.3 | 175.6 | 0 | 0 | 0 | 111.6 | V445 L457 L481 C482 A487 T488 I489 V498 T501 L502 V505 | V445-L485 HydrophobicContact CG1-CD2 4.16Å; L457-L485 HydrophobicContact CD2-CD2 3.47Å; L457-L485 VanDerWaalsContact CD2-CD2 3.47Å; L481-L485 HydrophobicContact CD1-CD1 3.93Å; L481-L485 HydrophobicContact CD1-CG 4.08Å; L481-L485 HydrophobicContact CG-CD1 3.92Å; L481-L485 HydrophobicContact CG-CG 4.44Å; L481-L485 VanDerWaalsContact O-CG 3.32Å; L481-L485 WeakPolarHBondContact O-CG 3.43Å; L481-L485 PolarHBondContact O-N 3.13Å; C482-L485 PolarHBondContact O-N 2.83Å; L485-A487 PolarHBondContact O-N 3.36Å; L485-T488 PolarHBondContact O-N 3.39Å; L485-T488 VanDerWaalsContact O-N 3.09Å; L485-T488 PolarHBondContact O-OG1 2.91Å; L485-I489 PolarHBondContact O-N 2.89Å; L485-I489 VanDerWaalsContact O-N 3.13Å; L485-V498 HydrophobicContact CB-CG1 3.95Å; L485-V498 HydrophobicContact CD2-CG1 4.15Å; L485-V498 HydrophobicContact CD2-CG2 4.45Å; L485-V498 WeakPolarHBondContact O-CG1 3.25Å; L485-T501 HydrophobicContact CD1-CG2 3.93Å; L485-T501 HydrophobicContact CD2-CG2 4.07Å; L485-L502 HydrophobicContact CB-CD2 4.4Å; L485-L502 HydrophobicContact CD1-CD2 3.84Å; L485-L502 HydrophobicContact CD1-CG 4.32Å; L485-V505 HydrophobicContact CD1-CG2 4.47Å |
| 486 | F | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -34.8 | -179.7 | -60.7 | -17.5 | 0 | 0 | 0 | 112.4 | C482 T488 I489 L502 C517 I518 I530 L534 | C482-F486 HydrophobicContact CB-CD2 4.43Å; C482-F486 HydrophobicContact CB-CE1 4.19Å; C482-F486 HydrophobicContact CB-CE2 3.72Å; C482-F486 HydrophobicContact CB-CZ 3.59Å; C482-F486 WeakPolarHBondContact O-CB 3.4Å; C482-F486 VanDerWaalsContact O-CD1 3.28Å; C482-F486 WeakPolarHBondContact O-CD1 3.42Å; C482-F486 VanDerWaalsContact O-CD2 3.23Å; C482-F486 WeakPolarHBondContact O-CD2 3.37Å; C482-F486 WeakPolarHBondContact O-CG 3.3Å; C482-F486 PolarHBondContact O-N 3.01Å; F486-T488 PolarHBondContact O-N 2.88Å; F486-I489 WeakPolarHBondContact O-CG2 3.17Å; F486-L502 HydrophobicContact CD1-CD2 4.45Å; F486-L502 HydrophobicContact CE1-CD1 4.47Å; F486-L502 HydrophobicContact CE1-CD2 3.84Å; F486-C517 WeakPolarHBondContact CE2-O 3.49Å; F486-C517 HydrophobicContact CZ-CB 4.39Å; F486-I518 HydrophobicContact CE1-CG1 3.83Å; F486-I518 HydrophobicContact CZ-CB 4.37Å; F486-I518 HydrophobicContact CZ-CG1 3.65Å; F486-I530 WeakPolarHBondContact O-CG2 3.09Å; F486-L534 HydrophobicContact CB-CD1 4.18Å; F486-L534 HydrophobicContact CD1-CD1 4.33Å; F486-L534 HydrophobicContact CD1-CD2 3.48Å; F486-L534 VanDerWaalsContact CD1-CD2 3.48Å; F486-L534 HydrophobicContact CE1-CD2 3.9Å; F486-L534 HydrophobicContact CG-CD1 4.16Å; F486-L534 HydrophobicContact CG-CD2 4.14Å |
| 487 | A | 89.6 | Confident | 91.9 | Very high | 35 Ų | 35 | 31.9 Ų | 31.9 | 29% | 0.289 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K446 Q484 L485 | K446-A487 HydrophobicContact CD-CB 4.21Å; Q484-A487 PolarHBondContact O-N 3.27Å; L485-A487 PolarHBondContact O-N 3.36Å |
| 488 | T | 90.8 | Very high | 92.2 | Very high | 12 Ų | 12 | 31.4 Ų | 31.4 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -4.9 | -172.6 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | V445 K446 L485 F486 A490 D491 | V445-T488 WeakPolarHBondContact O-CG2 3.4Å; K446-T488 HydrophobicContact CG-CG2 4.21Å; L485-T488 PolarHBondContact O-N 3.39Å; L485-T488 VanDerWaalsContact O-N 3.09Å; L485-T488 PolarHBondContact O-OG1 2.91Å; F486-T488 PolarHBondContact O-N 2.88Å; T488-A490 PolarHBondContact O-N 3Å; T488-A490 VanDerWaalsContact O-N 3.11Å; T488-D491 VanDerWaalsContact O-CB 3.23Å; T488-D491 WeakPolarHBondContact O-CB 3.29Å; T488-D491 PolarHBondContact O-N 3.25Å |
| 489 | I | 94.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29.5 | -179.2 | -163.7 | 173.3 | 0 | 0 | 0 | 114.4 | L485 F486 D491 G495 V498 E499 L502 I530 L534 W537 | L485-I489 PolarHBondContact O-N 2.89Å; L485-I489 VanDerWaalsContact O-N 3.13Å; F486-I489 WeakPolarHBondContact O-CG2 3.17Å; I489-D491 VanDerWaalsContact C-N 3.26Å; I489-D491 PolarHBondContact O-N 3.23Å; I489-G495 WeakPolarHBondContact O-CA 3.39Å; I489-V498 HydrophobicContact CB-CB 4.49Å; I489-V498 HydrophobicContact CB-CG1 3.81Å; I489-V498 HydrophobicContact CD1-CG1 4.4Å; I489-V498 HydrophobicContact CG1-CB 4.41Å; I489-V498 HydrophobicContact CG1-CG1 3.89Å; I489-E499 HydrophobicContact CD1-CG 4.37Å; I489-E499 HydrophobicContact CG1-CG 4.31Å; I489-L502 HydrophobicContact CD1-CD1 3.86Å; I489-I530 HydrophobicContact CG2-CG2 4.21Å; I489-L534 HydrophobicContact CD1-CD2 3.64Å; I489-L534 HydrophobicContact CD1-CG 4.28Å; I489-L534 HydrophobicContact CG2-CD2 4.28Å; I489-L534 HydrophobicContact CG2-CG 4.14Å; I489-W537 HydrophobicContact CD1-CB 4.4Å |
| 490 | A | 90.7 | Very high | 92.8 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -3.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | T488 I530 | T488-A490 PolarHBondContact O-N 3Å; T488-A490 VanDerWaalsContact O-N 3.11Å; A490-I530 HydrophobicContact CB-CG1 4.09Å |
| 491 | D | 89.9 | Confident | 93 | Very high | 51 Ų | 51 | 33.2 Ų | 33.2 | 27% | 0.273 | 19% | 0.192 | S | C | . | . | trans | -75.4 | 128.6 | 178 | -179.4 | 97.5 | 0 | 0 | 0 | 110.8 | R453 T488 I489 K493 S494 G495 | R453-D491 VanDerWaalsContact NH1-CG 3.31Å; R453-D491 IonicContact NH1-OD1 2.72Å; R453-D491 PolarHBondContact NH1-OD1 2.9Å; R453-D491 VanDerWaalsContact NH1-OD1 3.17Å; R453-D491 IonicContact NH1-OD2 3.07Å; T488-D491 VanDerWaalsContact O-CB 3.23Å; T488-D491 WeakPolarHBondContact O-CB 3.29Å; T488-D491 PolarHBondContact O-N 3.25Å; I489-D491 VanDerWaalsContact C-N 3.26Å; I489-D491 PolarHBondContact O-N 3.23Å; D491-K493 PolarHBondContact O-N 3.42Å; D491-K493 PolarHBondContact OD2-N 3.29Å; D491-S494 WeakPolarHBondContact CB-OG 3.11Å; D491-S494 PolarHBondContact OD2-N 3.38Å; D491-S494 PolarHBondContact OD2-OG 3.27Å; D491-G495 WeakPolarHBondContact O-CA 3.29Å; D491-G495 PolarHBondContact O-N 2.9Å | ||
| 492 | S | 86.9 | Confident | 93 | Very high | 111 Ų | 111 | 33.1 Ų | 33.1 | 78% | 0.776 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.4 | -173.5 | 57.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 493 | K | 89.8 | Confident | 92.9 | Very high | 117 Ų | 117 | 37.2 Ų | 37.2 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -39.2 | -177.4 | -61.7 | -175 | -178.4 | 179.2 | 0 | 112.3 | F450 D491 | F450-K493 HydrophobicContact CB-CB 4.37Å; F450-K493 HydrophobicContact CB-CD 4.36Å; F450-K493 HydrophobicContact CD1-CD 3.74Å; F450-K493 HydrophobicContact CD2-CB 3.91Å; F450-K493 HydrophobicContact CD2-CD 3.53Å; F450-K493 HydrophobicContact CD2-CG 4.36Å; F450-K493 HydrophobicContact CE1-CD 3.85Å; F450-K493 VanDerWaalsContact CE1-NZ 3.27Å; F450-K493 HydrophobicContact CE2-CD 3.64Å; F450-K493 HydrophobicContact CG-CB 4.23Å; F450-K493 HydrophobicContact CG-CD 3.58Å; F450-K493 HydrophobicContact CZ-CD 3.8Å; D491-K493 PolarHBondContact O-N 3.42Å; D491-K493 PolarHBondContact OD2-N 3.29Å |
| 494 | S | 92.3 | Very high | 93 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -18.6 | -178 | 50.2 | 0 | 0 | 0 | 0 | 113.9 | R453 D491 L497 V498 | R453-S494 PolarHBondContact NH1-OG 3.09Å; D491-S494 WeakPolarHBondContact CB-OG 3.11Å; D491-S494 PolarHBondContact OD2-N 3.38Å; D491-S494 PolarHBondContact OD2-OG 3.27Å; S494-L497 WeakPolarHBondContact O-CB 3.37Å; S494-L497 PolarHBondContact O-N 3.45Å; S494-V498 WeakPolarHBondContact O-CG2 3.27Å; S494-V498 PolarHBondContact O-N 3.1Å |
| 495 | G | 93 | Very high | 92.9 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -50.5 | -50.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I489 D491 L497 V498 E499 | I489-G495 WeakPolarHBondContact O-CA 3.39Å; D491-G495 WeakPolarHBondContact O-CA 3.29Å; D491-G495 PolarHBondContact O-N 2.9Å; G495-L497 VanDerWaalsContact C-N 3.25Å; G495-L497 PolarHBondContact O-N 3.27Å; G495-V498 WeakPolarHBondContact O-CA 3.37Å; G495-V498 WeakPolarHBondContact O-CB 3.3Å; G495-V498 PolarHBondContact O-N 2.71Å; G495-E499 WeakPolarHBondContact O-CG 3.24Å; G495-E499 PolarHBondContact O-N 3.08Å |
| 496 | P | 93.9 | Very high | 92.6 | Very high | 79 Ų | 79 | 36 Ų | 36 | 51% | 0.513 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.7 | -33.2 | 178 | -26.3 | 35.5 | 0 | 0 | 0 | 114.1 | Q500 | P496-Q500 PolarHBondContact O-N 3.25Å; P496-Q500 VanDerWaalsContact O-N 3.09Å |
| 497 | L | 94.6 | Very high | 92.2 | Very high | 46 Ų | 46 | 40.9 Ų | 40.9 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.8 | -39.9 | 174.5 | -74.1 | 171.4 | 0 | 0 | 0 | 111.1 | C454 L457 N458 S494 G495 E499 Q500 T501 | C454-L497 HydrophobicContact CB-CD1 3.6Å; L457-L497 HydrophobicContact CB-CB 4Å; L457-L497 HydrophobicContact CD1-CB 3.97Å; N458-L497 VanDerWaalsContact OD1-CD2 3.24Å; N458-L497 WeakPolarHBondContact OD1-CD2 3.48Å; S494-L497 WeakPolarHBondContact O-CB 3.37Å; S494-L497 PolarHBondContact O-N 3.45Å; G495-L497 VanDerWaalsContact C-N 3.25Å; G495-L497 PolarHBondContact O-N 3.27Å; L497-E499 VanDerWaalsContact C-N 3.33Å; L497-E499 PolarHBondContact O-N 2.99Å; L497-Q500 WeakPolarHBondContact O-CB 3.46Å; L497-Q500 PolarHBondContact O-N 3.23Å; L497-T501 PolarHBondContact O-N 3.04Å; L497-T501 PolarHBondContact O-OG1 3.49Å |
| 498 | V | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 173 | 175 | 0 | 0 | 0 | 0 | 110.9 | L457 L485 I489 S494 G495 Q500 T501 L502 | L457-V498 HydrophobicContact CD1-CG2 3.67Å; L457-V498 HydrophobicContact CD2-CG2 3.95Å; L485-V498 HydrophobicContact CB-CG1 3.95Å; L485-V498 HydrophobicContact CD2-CG1 4.15Å; L485-V498 HydrophobicContact CD2-CG2 4.45Å; L485-V498 WeakPolarHBondContact O-CG1 3.25Å; I489-V498 HydrophobicContact CB-CB 4.49Å; I489-V498 HydrophobicContact CB-CG1 3.81Å; I489-V498 HydrophobicContact CD1-CG1 4.4Å; I489-V498 HydrophobicContact CG1-CB 4.41Å; I489-V498 HydrophobicContact CG1-CG1 3.89Å; S494-V498 WeakPolarHBondContact O-CG2 3.27Å; S494-V498 PolarHBondContact O-N 3.1Å; G495-V498 WeakPolarHBondContact O-CA 3.37Å; G495-V498 WeakPolarHBondContact O-CB 3.3Å; G495-V498 PolarHBondContact O-N 2.71Å; V498-Q500 VanDerWaalsContact C-N 3.27Å; V498-Q500 PolarHBondContact O-N 3.47Å; V498-T501 PolarHBondContact O-N 3.15Å; V498-L502 HydrophobicContact CG1-CD1 4.33Å; V498-L502 WeakPolarHBondContact O-CG 3.4Å; V498-L502 PolarHBondContact O-N 3.15Å |
| 499 | E | 95 | Very high | 92 | Very high | 58 Ų | 58 | 39.8 Ų | 39.8 | 27% | 0.271 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.2 | -36.4 | 176.1 | -69.1 | -174.1 | -176.7 | 0 | 0 | 112.4 | I489 G495 L497 R503 W537 | I489-E499 HydrophobicContact CD1-CG 4.37Å; I489-E499 HydrophobicContact CG1-CG 4.31Å; G495-E499 WeakPolarHBondContact O-CG 3.24Å; G495-E499 PolarHBondContact O-N 3.08Å; L497-E499 VanDerWaalsContact C-N 3.33Å; L497-E499 PolarHBondContact O-N 2.99Å; E499-R503 PolarHBondContact O-N 3.29Å; E499-W537 VanDerWaalsContact CB-CD1 3.47Å; E499-W537 HydrophobicContact CG-CG 4.2Å; E499-W537 PolarHBondContact O-NE1 3.19Å; E499-W537 VanDerWaalsContact O-NE1 3.14Å |
| 500 | Q | 94 | Very high | 91.6 | Very high | 73 Ų | 73 | 41 Ų | 41 | 34% | 0.341 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.4 | -46.1 | 173.6 | -175.6 | 56.7 | 35.1 | 0 | 0 | 111.4 | P496 L497 V498 L502 R503 D504 | P496-Q500 PolarHBondContact O-N 3.25Å; P496-Q500 VanDerWaalsContact O-N 3.09Å; L497-Q500 WeakPolarHBondContact O-CB 3.46Å; L497-Q500 PolarHBondContact O-N 3.23Å; V498-Q500 VanDerWaalsContact C-N 3.27Å; V498-Q500 PolarHBondContact O-N 3.47Å; Q500-L502 VanDerWaalsContact C-N 3.27Å; Q500-L502 PolarHBondContact O-N 2.9Å; Q500-R503 WeakPolarHBondContact O-CB 3.28Å; Q500-R503 PolarHBondContact O-N 3.4Å; Q500-D504 PolarHBondContact O-N 3.46Å |
| 501 | T | 95.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -38.4 | 176.1 | -48.3 | 0 | 0 | 0 | 0 | 111.3 | L460 L464 L485 L497 V498 R503 D504 V505 | L460-T501 HydrophobicContact CB-CG2 4.07Å; L464-T501 HydrophobicContact CD1-CG2 3.66Å; L485-T501 HydrophobicContact CD1-CG2 3.93Å; L485-T501 HydrophobicContact CD2-CG2 4.07Å; L497-T501 PolarHBondContact O-N 3.04Å; L497-T501 PolarHBondContact O-OG1 3.49Å; V498-T501 PolarHBondContact O-N 3.15Å; T501-R503 VanDerWaalsContact C-N 3.34Å; T501-R503 PolarHBondContact O-N 3.14Å; T501-D504 CarbonylContact O-C 3.58Å; T501-D504 WeakPolarHBondContact O-CB 3.24Å; T501-D504 PolarHBondContact O-N 2.81Å; T501-D504 VanDerWaalsContact O-N 3.16Å; T501-V505 WeakPolarHBondContact O-CG2 3.38Å; T501-V505 PolarHBondContact O-N 3.47Å |
| 502 | L | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.5 | -34.1 | 175 | -72.7 | 174.3 | 0 | 0 | 0 | 112.9 | L485 F486 I489 V498 Q500 D504 V505 I506 L534 W537 | L485-L502 HydrophobicContact CB-CD2 4.4Å; L485-L502 HydrophobicContact CD1-CD2 3.84Å; L485-L502 HydrophobicContact CD1-CG 4.32Å; F486-L502 HydrophobicContact CD1-CD2 4.45Å; F486-L502 HydrophobicContact CE1-CD1 4.47Å; F486-L502 HydrophobicContact CE1-CD2 3.84Å; I489-L502 HydrophobicContact CD1-CD1 3.86Å; V498-L502 HydrophobicContact CG1-CD1 4.33Å; V498-L502 WeakPolarHBondContact O-CG 3.4Å; V498-L502 PolarHBondContact O-N 3.15Å; Q500-L502 VanDerWaalsContact C-N 3.27Å; Q500-L502 PolarHBondContact O-N 2.9Å; L502-D504 VanDerWaalsContact C-N 3.33Å; L502-V505 WeakPolarHBondContact O-CB 3.2Å; L502-V505 PolarHBondContact O-N 3.05Å; L502-I506 PolarHBondContact O-N 2.75Å; L502-L534 HydrophobicContact CD1-CD2 4.49Å; L502-W537 HydrophobicContact CB-CH2 3.63Å; L502-W537 HydrophobicContact CB-CZ2 3.3Å; L502-W537 HydrophobicContact CB-CZ3 4.42Å; L502-W537 HydrophobicContact CD1-CD2 4.24Å; L502-W537 HydrophobicContact CD1-CE3 4.41Å; L502-W537 HydrophobicContact CD1-CZ2 4.41Å; L502-W537 HydrophobicContact CG-CZ2 4.48Å |
| 503 | R | 92.7 | Very high | 91.2 | Very high | 87 Ų | 87 | 39.3 Ų | 39.3 | 33% | 0.328 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 170.5 | -76.7 | -173.6 | -77.1 | -88.3 | -0.5 | 111.3 | E499 Q500 T501 V505 I506 N507 W537 | E499-R503 PolarHBondContact O-N 3.29Å; Q500-R503 WeakPolarHBondContact O-CB 3.28Å; Q500-R503 PolarHBondContact O-N 3.4Å; T501-R503 VanDerWaalsContact C-N 3.34Å; T501-R503 PolarHBondContact O-N 3.14Å; R503-V505 VanDerWaalsContact C-N 3.31Å; R503-V505 PolarHBondContact O-N 2.97Å; R503-I506 WeakPolarHBondContact O-CB 3.34Å; R503-I506 PolarHBondContact O-N 2.87Å; R503-N507 PolarHBondContact O-N 2.94Å; R503-N507 PolarHBondContact O-ND2 2.94Å; R503-W537 HydrophobicContact CG-CZ2 4.03Å |
| 504 | D | 93.3 | Very high | 91.2 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.053 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67 | -34.6 | 175.1 | -57.1 | -43 | 0 | 0 | 0 | 111.6 | S461 L464 Q500 T501 L502 N507 V508 | S461-D504 WeakPolarHBondContact CA-OD2 3.49Å; S461-D504 VanDerWaalsContact CB-OD2 3.28Å; S461-D504 WeakPolarHBondContact CB-OD2 3.42Å; S461-D504 PolarHBondContact OG-OD2 2.82Å; L464-D504 HydrophobicContact CB-CB 3.72Å; L464-D504 HydrophobicContact CD1-CB 4.19Å; Q500-D504 PolarHBondContact O-N 3.46Å; T501-D504 CarbonylContact O-C 3.58Å; T501-D504 WeakPolarHBondContact O-CB 3.24Å; T501-D504 PolarHBondContact O-N 2.81Å; T501-D504 VanDerWaalsContact O-N 3.16Å; L502-D504 VanDerWaalsContact C-N 3.33Å; D504-N507 WeakPolarHBondContact O-CB 3.31Å; D504-N507 PolarHBondContact O-N 3.23Å; D504-V508 WeakPolarHBondContact O-CG2 3.37Å; D504-V508 PolarHBondContact O-N 3.19Å |
| 505 | V | 92.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 170.9 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | L464 L481 L485 T501 L502 R503 N507 V508 I509 | L464-V505 HydrophobicContact CD1-CG2 3.72Å; L481-V505 HydrophobicContact CD2-CG2 3.92Å; L485-V505 HydrophobicContact CD1-CG2 4.47Å; T501-V505 WeakPolarHBondContact O-CG2 3.38Å; T501-V505 PolarHBondContact O-N 3.47Å; L502-V505 WeakPolarHBondContact O-CB 3.2Å; L502-V505 PolarHBondContact O-N 3.05Å; R503-V505 VanDerWaalsContact C-N 3.31Å; R503-V505 PolarHBondContact O-N 2.97Å; V505-N507 PolarHBondContact O-N 3.31Å; V505-V508 PolarHBondContact O-N 3.41Å; V505-I509 HydrophobicContact CG1-CD1 3.59Å; V505-I509 HydrophobicContact CG1-CG1 3.76Å; V505-I509 WeakPolarHBondContact O-CG1 3.48Å; V505-I509 PolarHBondContact O-N 3.36Å |
| 506 | I | 89.5 | Confident | 91 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 13% | 0.133 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.6 | -40.4 | 175.3 | -70.2 | 169.2 | 0 | 0 | 0 | 111 | L502 R503 V508 G510 F511 T514 W537 | L502-I506 PolarHBondContact O-N 2.75Å; R503-I506 WeakPolarHBondContact O-CB 3.34Å; R503-I506 PolarHBondContact O-N 2.87Å; I506-V508 PolarHBondContact O-N 3.5Å; I506-G510 CarbonylContact O-C 3.57Å; I506-G510 WeakPolarHBondContact O-CA 3.33Å; I506-G510 PolarHBondContact O-N 2.99Å; I506-F511 HydrophobicContact CD1-CD2 3.93Å; I506-F511 HydrophobicContact CG1-CD2 4.42Å; I506-F511 HydrophobicContact CG2-CB 4.1Å; I506-T514 HydrophobicContact CD1-CG2 4.49Å; I506-T514 HydrophobicContact CG1-CG2 3.77Å; I506-W537 HydrophobicContact CD1-CH2 3.42Å; I506-W537 VanDerWaalsContact CD1-CH2 3.42Å; I506-W537 HydrophobicContact CD1-CZ2 4.01Å; I506-W537 HydrophobicContact CD1-CZ3 4.33Å; I506-W537 HydrophobicContact CG1-CH2 4.19Å |
| 507 | N | 86.9 | Confident | 90.9 | Very high | 103 Ų | 103 | 35 Ų | 35 | 55% | 0.551 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -67.1 | -21.6 | 179.6 | -65.6 | -34.2 | 0 | 0 | 0 | 113.5 | R503 D504 V505 | R503-N507 PolarHBondContact O-N 2.94Å; R503-N507 PolarHBondContact O-ND2 2.94Å; D504-N507 WeakPolarHBondContact O-CB 3.31Å; D504-N507 PolarHBondContact O-N 3.23Å; V505-N507 PolarHBondContact O-N 3.31Å |
| 508 | V | 88.8 | Confident | 90.8 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -94.5 | -45.4 | -179 | 179 | 0 | 0 | 0 | 0 | 112.2 | L464 N467 I473 D504 V505 I506 | L464-V508 HydrophobicContact CB-CG2 4.23Å; L464-V508 HydrophobicContact CD2-CG2 4.03Å; N467-V508 WeakPolarHBondContact O-CG2 3.26Å; I473-V508 HydrophobicContact CG2-CG1 3.99Å; D504-V508 WeakPolarHBondContact O-CG2 3.37Å; D504-V508 PolarHBondContact O-N 3.19Å; V505-V508 PolarHBondContact O-N 3.41Å; I506-V508 PolarHBondContact O-N 3.5Å |
| 509 | I | 87.8 | Confident | 90.6 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 8% | 0.077 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -109.4 | -4.3 | -172.9 | 68.6 | 168.9 | 0 | 0 | 0 | 113.9 | Q470 I478 V505 K513 T514 | Q470-I509 HydrophobicContact CG-CG2 4.31Å; I478-I509 HydrophobicContact CD1-CG2 3.48Å; I478-I509 VanDerWaalsContact CD1-CG2 3.48Å; I478-I509 HydrophobicContact CG1-CG2 3.96Å; I478-I509 HydrophobicContact CG2-CD1 3.78Å; I478-I509 HydrophobicContact CG2-CG2 4.38Å; V505-I509 HydrophobicContact CG1-CD1 3.59Å; V505-I509 HydrophobicContact CG1-CG1 3.76Å; V505-I509 WeakPolarHBondContact O-CG1 3.48Å; V505-I509 PolarHBondContact O-N 3.36Å; I509-K513 HydrophobicContact CB-CB 4.37Å; I509-K513 HydrophobicContact CD1-CB 4.13Å; I509-K513 HydrophobicContact CD1-CG 4.1Å; I509-K513 HydrophobicContact CG1-CB 4.27Å; I509-K513 WeakPolarHBondContact O-CB 3.34Å; I509-T514 WeakPolarHBondContact CG1-OG1 3.25Å |
| 510 | G | 86.6 | Confident | 90.3 | Very high | 28 Ų | 28 | 33.6 Ų | 33.6 | 29% | 0.289 | 18% | 0.179 | S | C | . | . | trans | 82.4 | 156.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I506 T514 | I506-G510 CarbonylContact O-C 3.57Å; I506-G510 WeakPolarHBondContact O-CA 3.33Å; I506-G510 PolarHBondContact O-N 2.99Å; G510-T514 PolarHBondContact O-N 3.01Å; G510-T514 VanDerWaalsContact O-N 3.17Å; G510-T514 PolarHBondContact O-OG1 3.45Å | ||
| 511 | F | 87.9 | Confident | 90 | Very high | 16 Ų | 16 | 30.1 Ų | 30.1 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 179.4 | -178.8 | -106.7 | 0 | 0 | 0 | 113.1 | I506 K513 T514 V515 L538 I542 L545 F549 L554 | I506-F511 HydrophobicContact CD1-CD2 3.93Å; I506-F511 HydrophobicContact CG1-CD2 4.42Å; I506-F511 HydrophobicContact CG2-CB 4.1Å; F511-K513 PolarHBondContact O-N 3.43Å; F511-T514 WeakPolarHBondContact O-CB 3.48Å; F511-T514 PolarHBondContact O-N 3.27Å; F511-T514 VanDerWaalsContact O-N 3.11Å; F511-V515 HydrophobicContact CD1-CG2 4.09Å; F511-V515 HydrophobicContact CD2-CG2 4.19Å; F511-V515 HydrophobicContact CE1-CG2 3.65Å; F511-V515 HydrophobicContact CE2-CG2 3.77Å; F511-V515 HydrophobicContact CG-CG2 4.34Å; F511-V515 HydrophobicContact CZ-CG2 3.47Å; F511-V515 VanDerWaalsContact CZ-CG2 3.47Å; F511-V515 WeakPolarHBondContact O-CG2 3.09Å; F511-V515 PolarHBondContact O-N 3.37Å; F511-L538 HydrophobicContact CE2-CD2 4.47Å; F511-I542 HydrophobicContact CE1-CG1 4.39Å; F511-I542 HydrophobicContact CE2-CG1 4.34Å; F511-I542 HydrophobicContact CZ-CD1 4.37Å; F511-I542 HydrophobicContact CZ-CG1 3.58Å; F511-L545 HydrophobicContact CB-CD1 4.18Å; F511-L545 HydrophobicContact CD1-CD1 3.59Å; F511-L545 HydrophobicContact CD2-CD1 3.34Å; F511-L545 HydrophobicContact CE1-CD1 3.67Å; F511-L545 HydrophobicContact CE2-CD1 3.44Å; F511-L545 VanDerWaalsContact CE2-CD1 3.44Å; F511-L545 HydrophobicContact CG-CD1 3.42Å; F511-L545 VanDerWaalsContact CG-CD1 3.42Å; F511-L545 HydrophobicContact CZ-CD1 3.61Å; F511-F549 HydrophobicContact CD1-CB 4.04Å; F511-F549 HydrophobicContact CE1-CB 3.98Å; F511-F549 HydrophobicContact CE1-CG 4.2Å; F511-L554 HydrophobicContact CE1-CD1 4.27Å; F511-L554 HydrophobicContact CZ-CD1 4.47Å |
| 512 | P | 85.7 | Confident | 89.8 | Confident | 82 Ų | 82 | 30.1 Ų | 30.1 | 53% | 0.532 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.5 | -45.6 | -177.9 | -25.1 | 35.1 | 0 | 0 | 0 | 113.2 | T514 V515 E516 | P512-T514 VanDerWaalsContact C-N 3.32Å; P512-T514 PolarHBondContact O-N 3.03Å; P512-V515 PolarHBondContact O-N 3.48Å; P512-E516 PolarHBondContact O-N 3.06Å |
| 513 | K | 84.3 | Confident | 89.3 | Confident | 69 Ų | 69 | 35.6 Ų | 35.6 | 30% | 0.3 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67 | -35 | 178.5 | -162.1 | 72.1 | -163.7 | 168.3 | 0 | 112 | I509 F511 E516 C517 | I509-K513 HydrophobicContact CB-CB 4.37Å; I509-K513 HydrophobicContact CD1-CB 4.13Å; I509-K513 HydrophobicContact CD1-CG 4.1Å; I509-K513 HydrophobicContact CG1-CB 4.27Å; I509-K513 WeakPolarHBondContact O-CB 3.34Å; F511-K513 PolarHBondContact O-N 3.43Å; K513-E516 WeakPolarHBondContact CD-OE2 3.26Å; K513-E516 WeakPolarHBondContact CE-OE2 3.36Å; K513-E516 IonicContact NZ-OE1 3.17Å; K513-E516 PolarHBondContact NZ-OE1 2.9Å; K513-E516 IonicContact NZ-OE2 3.7Å; K513-E516 PolarHBondContact NZ-OE2 3.15Å; K513-E516 WeakPolarHBondContact O-CB 3.34Å; K513-E516 PolarHBondContact O-N 3.19Å; K513-C517 PolarHBondContact O-N 3.42Å; K513-C517 PolarHBondContact O-SG 2.98Å; K513-C517 VanDerWaalsContact O-SG 3.37Å |
| 514 | T | 90.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 174.2 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | I506 I509 G510 F511 P512 E516 C517 I518 W537 | I506-T514 HydrophobicContact CD1-CG2 4.49Å; I506-T514 HydrophobicContact CG1-CG2 3.77Å; I509-T514 WeakPolarHBondContact CG1-OG1 3.25Å; G510-T514 PolarHBondContact O-N 3.01Å; G510-T514 VanDerWaalsContact O-N 3.17Å; G510-T514 PolarHBondContact O-OG1 3.45Å; F511-T514 WeakPolarHBondContact O-CB 3.48Å; F511-T514 PolarHBondContact O-N 3.27Å; F511-T514 VanDerWaalsContact O-N 3.11Å; P512-T514 VanDerWaalsContact C-N 3.32Å; P512-T514 PolarHBondContact O-N 3.03Å; T514-E516 VanDerWaalsContact C-N 3.33Å; T514-E516 PolarHBondContact O-N 3.17Å; T514-C517 WeakPolarHBondContact O-CB 3.4Å; T514-C517 PolarHBondContact O-N 3.49Å; T514-I518 HydrophobicContact CG2-CD1 4.08Å; T514-I518 WeakPolarHBondContact O-CG1 3.32Å; T514-I518 PolarHBondContact O-N 3.3Å; T514-W537 HydrophobicContact CG2-CH2 4.38Å |
| 515 | V | 91.4 | Very high | 88.2 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.024 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | F511 P512 I518 N519 L538 L553 L554 I557 | F511-V515 HydrophobicContact CD1-CG2 4.09Å; F511-V515 HydrophobicContact CD2-CG2 4.19Å; F511-V515 HydrophobicContact CE1-CG2 3.65Å; F511-V515 HydrophobicContact CE2-CG2 3.77Å; F511-V515 HydrophobicContact CG-CG2 4.34Å; F511-V515 HydrophobicContact CZ-CG2 3.47Å; F511-V515 VanDerWaalsContact CZ-CG2 3.47Å; F511-V515 WeakPolarHBondContact O-CG2 3.09Å; F511-V515 PolarHBondContact O-N 3.37Å; P512-V515 PolarHBondContact O-N 3.48Å; V515-I518 PolarHBondContact O-N 3.2Å; V515-N519 PolarHBondContact O-N 3.39Å; V515-L538 HydrophobicContact CG2-CD2 4.06Å; V515-L553 HydrophobicContact CB-CD2 4.25Å; V515-L553 HydrophobicContact CG1-CD2 3.68Å; V515-L553 HydrophobicContact CG1-CG 3.93Å; V515-L554 HydrophobicContact CG1-CD2 3.67Å; V515-L554 HydrophobicContact CG1-CG 4.14Å; V515-L554 HydrophobicContact CG2-CD2 4.16Å; V515-I557 HydrophobicContact CG1-CD1 3.76Å |
| 516 | E | 89.5 | Confident | 87.5 | Confident | 86 Ų | 86 | 45.8 Ų | 45.8 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61 | -44.4 | 173.9 | -170.7 | -167 | 142.6 | 0 | 0 | 112.2 | P512 K513 T514 I518 N519 T520 L553 | P512-E516 PolarHBondContact O-N 3.06Å; K513-E516 WeakPolarHBondContact CD-OE2 3.26Å; K513-E516 WeakPolarHBondContact CE-OE2 3.36Å; K513-E516 IonicContact NZ-OE1 3.17Å; K513-E516 PolarHBondContact NZ-OE1 2.9Å; K513-E516 IonicContact NZ-OE2 3.7Å; K513-E516 PolarHBondContact NZ-OE2 3.15Å; K513-E516 WeakPolarHBondContact O-CB 3.34Å; K513-E516 PolarHBondContact O-N 3.19Å; T514-E516 VanDerWaalsContact C-N 3.33Å; T514-E516 PolarHBondContact O-N 3.17Å; E516-I518 VanDerWaalsContact C-N 3.3Å; E516-I518 PolarHBondContact O-N 3.5Å; E516-N519 PolarHBondContact O-N 3.37Å; E516-T520 WeakPolarHBondContact O-CB 3.41Å; E516-T520 PolarHBondContact O-N 3.36Å; E516-T520 PolarHBondContact O-OG1 3.44Å; E516-L553 HydrophobicContact CB-CD2 4.32Å |
| 517 | C | 91 | Very high | 87.2 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 12% | 0.122 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -42 | 173.4 | -69.9 | 0 | 0 | 0 | 0 | 111.3 | C482 F486 K513 T514 T520 G521 | C482-C517 HydrophobicContact CB-CB 4.32Å; F486-C517 WeakPolarHBondContact CE2-O 3.49Å; F486-C517 HydrophobicContact CZ-CB 4.39Å; K513-C517 PolarHBondContact O-N 3.42Å; K513-C517 PolarHBondContact O-SG 2.98Å; K513-C517 VanDerWaalsContact O-SG 3.37Å; T514-C517 WeakPolarHBondContact O-CB 3.4Å; T514-C517 PolarHBondContact O-N 3.49Å; C517-T520 PolarHBondContact O-N 3.2Å; C517-G521 PolarHBondContact O-N 3.23Å |
| 518 | I | 93.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.6 | -43.9 | 178 | -67.8 | 165.3 | 0 | 0 | 0 | 111.6 | F486 T514 V515 E516 T520 G521 L522 L534 W537 L538 | F486-I518 HydrophobicContact CE1-CG1 3.83Å; F486-I518 HydrophobicContact CZ-CB 4.37Å; F486-I518 HydrophobicContact CZ-CG1 3.65Å; T514-I518 HydrophobicContact CG2-CD1 4.08Å; T514-I518 WeakPolarHBondContact O-CG1 3.32Å; T514-I518 PolarHBondContact O-N 3.3Å; V515-I518 PolarHBondContact O-N 3.2Å; E516-I518 VanDerWaalsContact C-N 3.3Å; E516-I518 PolarHBondContact O-N 3.5Å; I518-T520 VanDerWaalsContact C-N 3.3Å; I518-T520 PolarHBondContact O-N 2.91Å; I518-G521 CarbonylContact O-C 3.58Å; I518-G521 PolarHBondContact O-N 3.17Å; I518-G521 VanDerWaalsContact O-N 3.14Å; I518-L522 HydrophobicContact CG2-CD1 3.91Å; I518-L522 HydrophobicContact CG2-CG 4.12Å; I518-L522 WeakPolarHBondContact O-CB 3.14Å; I518-L522 WeakPolarHBondContact O-CG 3.32Å; I518-L522 PolarHBondContact O-N 3.41Å; I518-L534 HydrophobicContact CG2-CB 4.41Å; I518-W537 HydrophobicContact CD1-CE3 3.94Å; I518-W537 HydrophobicContact CD1-CZ3 3.48Å; I518-W537 VanDerWaalsContact CD1-CZ3 3.48Å; I518-L538 HydrophobicContact CB-CD1 4.47Å; I518-L538 HydrophobicContact CD1-CD1 4.4Å; I518-L538 HydrophobicContact CD1-CD2 3.72Å; I518-L538 HydrophobicContact CD1-CG 4.02Å; I518-L538 HydrophobicContact CG2-CD1 3.71Å; I518-L538 HydrophobicContact CG2-CG 4.38Å |
| 519 | N | 92.3 | Very high | 87.5 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 6% | 0.059 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 176.6 | -168.8 | 26.1 | 0 | 0 | 0 | 110.7 | V515 E516 G521 L522 K523 L553 E556 I557 | V515-N519 PolarHBondContact O-N 3.39Å; E516-N519 PolarHBondContact O-N 3.37Å; N519-G521 VanDerWaalsContact C-N 3.34Å; N519-G521 PolarHBondContact O-N 3.06Å; N519-L522 PolarHBondContact O-N 3.37Å; N519-K523 PolarHBondContact ND2-NZ 3.2Å; N519-K523 WeakPolarHBondContact O-CG 3.08Å; N519-K523 PolarHBondContact O-N 2.96Å; N519-K523 WeakPolarHBondContact OD1-CE 3.26Å; N519-L553 HydrophobicContact CB-CD1 4.13Å; N519-L553 WeakPolarHBondContact ND2-CD1 3.49Å; N519-E556 PolarHBondContact ND2-OE2 3.27Å; N519-I557 HydrophobicContact CB-CD1 4.07Å; N519-I557 HydrophobicContact CB-CG1 4.11Å |
| 520 | T | 88.9 | Confident | 87.8 | Confident | 64 Ų | 64 | 47.5 Ų | 47.5 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 175.6 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | E516 C517 I518 K523 K524 | E516-T520 WeakPolarHBondContact O-CB 3.41Å; E516-T520 PolarHBondContact O-N 3.36Å; E516-T520 PolarHBondContact O-OG1 3.44Å; C517-T520 PolarHBondContact O-N 3.2Å; I518-T520 VanDerWaalsContact C-N 3.3Å; I518-T520 PolarHBondContact O-N 2.91Å; T520-K523 PolarHBondContact O-N 3.02Å; T520-K524 WeakPolarHBondContact O-CG 3.45Å; T520-K524 PolarHBondContact O-N 3.42Å |
| 521 | G | 87 | Confident | 88.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | C517 I518 N519 K523 K524 Q525 | C517-G521 PolarHBondContact O-N 3.23Å; I518-G521 CarbonylContact O-C 3.58Å; I518-G521 PolarHBondContact O-N 3.17Å; I518-G521 VanDerWaalsContact O-N 3.14Å; N519-G521 VanDerWaalsContact C-N 3.34Å; N519-G521 PolarHBondContact O-N 3.06Å; G521-K523 VanDerWaalsContact C-N 3.27Å; G521-K523 PolarHBondContact O-N 3.18Å; G521-K524 PolarHBondContact O-N 2.68Å; G521-Q525 VanDerWaalsContact O-CG 3.27Å; G521-Q525 WeakPolarHBondContact O-CG 3.35Å; G521-Q525 PolarHBondContact O-N 3.28Å |
| 522 | L | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.1 | -39.2 | 177 | -75.1 | 171.2 | 0 | 0 | 0 | 111.9 | I518 N519 K524 H531 L534 I535 I557 F560 | I518-L522 HydrophobicContact CG2-CD1 3.91Å; I518-L522 HydrophobicContact CG2-CG 4.12Å; I518-L522 WeakPolarHBondContact O-CB 3.14Å; I518-L522 WeakPolarHBondContact O-CG 3.32Å; I518-L522 PolarHBondContact O-N 3.41Å; N519-L522 PolarHBondContact O-N 3.37Å; L522-K524 VanDerWaalsContact C-N 3.34Å; L522-H531 HydrophobicContact CD2-CB 4.13Å; L522-H531 PolarHBondContact O-NE2 3.13Å; L522-L534 HydrophobicContact CD2-CB 4.07Å; L522-L534 HydrophobicContact CD2-CD1 3.9Å; L522-L534 HydrophobicContact CG-CD1 4.37Å; L522-I535 HydrophobicContact CD1-CG1 4.17Å; L522-I535 HydrophobicContact CD2-CG1 4.33Å; L522-I557 HydrophobicContact CD1-CG1 4.29Å; L522-I557 HydrophobicContact CD1-CG2 3.69Å; L522-F560 HydrophobicContact CB-CD1 4.37Å; L522-F560 HydrophobicContact CB-CE1 3.93Å; L522-F560 HydrophobicContact CB-CZ 4.34Å; L522-F560 HydrophobicContact CD2-CE1 4.34Å; L522-F560 WeakPolarHBondContact O-CZ 3.36Å |
| 523 | K | 85.5 | Confident | 89 | Confident | 115 Ų | 115 | 44 Ų | 44 | 50% | 0.5 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.5 | -28.9 | 176.1 | -68.9 | 172.5 | -178.9 | 174.3 | 0 | 113 | N519 T520 G521 E556 | N519-K523 PolarHBondContact ND2-NZ 3.2Å; N519-K523 WeakPolarHBondContact O-CG 3.08Å; N519-K523 PolarHBondContact O-N 2.96Å; N519-K523 WeakPolarHBondContact OD1-CE 3.26Å; T520-K523 PolarHBondContact O-N 3.02Å; G521-K523 VanDerWaalsContact C-N 3.27Å; G521-K523 PolarHBondContact O-N 3.18Å; K523-E556 WeakPolarHBondContact CE-OE1 3.43Å; K523-E556 IonicContact NZ-OE1 2.78Å; K523-E556 PolarHBondContact NZ-OE1 2.69Å; K523-E556 IonicContact NZ-OE2 3.24Å |
| 524 | K | 82.4 | Confident | 89.6 | Confident | 113 Ų | 113 | 40.7 Ų | 40.7 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -82.1 | -31.7 | 177.1 | -71.8 | 173.3 | 178.2 | 174.1 | 0 | 113.5 | D483 T520 G521 L522 | D483-K524 IonicContact OD1-NZ 3.54Å; D483-K524 PolarHBondContact OD1-NZ 3.33Å; D483-K524 IonicContact OD2-NZ 3.12Å; D483-K524 PolarHBondContact OD2-NZ 3.29Å; T520-K524 WeakPolarHBondContact O-CG 3.45Å; T520-K524 PolarHBondContact O-N 3.42Å; G521-K524 PolarHBondContact O-N 2.68Å; L522-K524 VanDerWaalsContact C-N 3.34Å |
| 525 | Q | 79.8 | Confident | 89.9 | Confident | 46 Ų | 46 | 40.6 Ų | 40.6 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | trans | -81.4 | 151.3 | -175 | -64.8 | -61.5 | -29.1 | 0 | 0 | 111.6 | G521 I530 H531 | G521-Q525 VanDerWaalsContact O-CG 3.27Å; G521-Q525 WeakPolarHBondContact O-CG 3.35Å; G521-Q525 PolarHBondContact O-N 3.28Å; Q525-I530 HydrophobicContact CB-CG2 4.43Å; Q525-I530 HydrophobicContact CG-CG2 4.18Å; Q525-H531 VanDerWaalsContact C-NE2 3.34Å; Q525-H531 WeakPolarHBondContact CB-NE2 3.45Å; Q525-H531 PolarHBondContact O-CE1 2.78Å; Q525-H531 VanDerWaalsContact O-CE1 3.32Å; Q525-H531 PolarHBondContact O-NE2 3.1Å | ||
| 526 | I | 76.8 | Confident | 90 | Very high | 156 Ų | 156 | 44.7 Ų | 44.7 | 80% | 0.8 | 23% | 0.233 | S | C | * | . | trans | -113.9 | -17.9 | -179.8 | -58.4 | 165.9 | 0 | 0 | 0 | 111 | P528 | I526-P528 VanDerWaalsContact O-CD 3.31Å; I526-P528 WeakPolarHBondContact O-CD 3.24Å | ||
| 527 | S | 84.7 | Confident | 90.3 | Very high | 41 Ų | 41 | 40.7 Ų | 40.7 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | trans | -78.9 | 119.5 | -173.5 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | T529 I530 H531 | S527-T529 PolarHBondContact O-N 3.22Å; S527-T529 PolarHBondContact OG-OG1 3.02Å; S527-I530 PolarHBondContact O-N 3.19Å; S527-I530 VanDerWaalsContact O-N 3.16Å; S527-H531 PolarHBondContact O-N 2.91Å; S527-H531 VanDerWaalsContact O-N 3.1Å | ||
| 528 | P | 90.6 | Very high | 90.5 | Very high | 59 Ų | 59 | 39.9 Ų | 39.9 | 38% | 0.383 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.6 | -28.5 | 178.3 | -23 | 34 | 0 | 0 | 0 | 113.9 | I526 S532 V569 | I526-P528 VanDerWaalsContact O-CD 3.31Å; I526-P528 WeakPolarHBondContact O-CD 3.24Å; P528-S532 WeakPolarHBondContact O-CB 3.07Å; P528-S532 PolarHBondContact O-N 3.27Å; P528-V569 HydrophobicContact CB-CG2 3.96Å; P528-V569 WeakPolarHBondContact O-CG2 3.5Å |
| 529 | T | 91.7 | Very high | 90.5 | Very high | 74 Ų | 74 | 39.9 Ų | 39.9 | 45% | 0.454 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.1 | -38.7 | 177.4 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | S527 S532 S533 | S527-T529 PolarHBondContact O-N 3.22Å; S527-T529 PolarHBondContact OG-OG1 3.02Å; T529-S532 PolarHBondContact O-N 2.7Å; T529-S533 PolarHBondContact O-N 3.44Å; T529-S533 PolarHBondContact O-OG 3.38Å |
| 530 | I | 93.6 | Very high | 90.4 | Very high | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65 | -46.3 | 174.7 | -64.7 | 177.4 | 0 | 0 | 0 | 110.1 | F486 I489 A490 Q525 S527 S532 S533 L534 | F486-I530 WeakPolarHBondContact O-CG2 3.09Å; I489-I530 HydrophobicContact CG2-CG2 4.21Å; A490-I530 HydrophobicContact CB-CG1 4.09Å; Q525-I530 HydrophobicContact CB-CG2 4.43Å; Q525-I530 HydrophobicContact CG-CG2 4.18Å; S527-I530 PolarHBondContact O-N 3.19Å; S527-I530 VanDerWaalsContact O-N 3.16Å; I530-S532 VanDerWaalsContact C-N 3.32Å; I530-S532 PolarHBondContact O-N 3.01Å; I530-S533 PolarHBondContact O-N 3.38Å; I530-L534 HydrophobicContact CG2-CD1 3.81Å; I530-L534 HydrophobicContact CG2-CG 4.36Å; I530-L534 PolarHBondContact O-N 3.13Å |
| 531 | H | 94.8 | Very high | 90.4 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.2 | -47.5 | 176.5 | -66.3 | 178.4 | 0 | 0 | 0 | 111.4 | L522 Q525 S527 S533 I535 F560 V569 | L522-H531 HydrophobicContact CD2-CB 4.13Å; L522-H531 PolarHBondContact O-NE2 3.13Å; Q525-H531 VanDerWaalsContact C-NE2 3.34Å; Q525-H531 WeakPolarHBondContact CB-NE2 3.45Å; Q525-H531 PolarHBondContact O-CE1 2.78Å; Q525-H531 VanDerWaalsContact O-CE1 3.32Å; Q525-H531 PolarHBondContact O-NE2 3.1Å; S527-H531 PolarHBondContact O-N 2.91Å; S527-H531 VanDerWaalsContact O-N 3.1Å; H531-S533 PolarHBondContact O-N 3.45Å; H531-I535 WeakPolarHBondContact O-CB 3.48Å; H531-I535 VanDerWaalsContact O-CG1 3.23Å; H531-I535 WeakPolarHBondContact O-CG1 3.17Å; H531-I535 PolarHBondContact O-N 2.59Å; H531-I535 VanDerWaalsContact O-N 3.07Å; H531-F560 AromaticContact CE1-CZ 3.81Å; H531-F560 AromaticContact ND1-CE1 3.85Å; H531-V569 HydrophobicContact CB-CG1 4.06Å; H531-V569 HydrophobicContact CB-CG2 3.87Å |
| 532 | S | 95.7 | Very high | 90.4 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 176.8 | 166.2 | 0 | 0 | 0 | 0 | 112.1 | P528 T529 I530 K536 I568 S572 | P528-S532 WeakPolarHBondContact O-CB 3.07Å; P528-S532 PolarHBondContact O-N 3.27Å; T529-S532 PolarHBondContact O-N 2.7Å; I530-S532 VanDerWaalsContact C-N 3.32Å; I530-S532 PolarHBondContact O-N 3.01Å; S532-K536 WeakPolarHBondContact O-CB 3.26Å; S532-K536 VanDerWaalsContact O-CG 3.31Å; S532-K536 WeakPolarHBondContact O-CG 2.82Å; S532-K536 PolarHBondContact O-N 3.32Å; S532-I568 WeakPolarHBondContact OG-CG2 3.35Å; S532-S572 PolarHBondContact O-OG 3.15Å; S532-S572 PolarHBondContact OG-OG 2.78Å |
| 533 | S | 95 | Very high | 89.9 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 20% | 0.203 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66 | -43.4 | -178 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | T529 I530 H531 K536 W537 | T529-S533 PolarHBondContact O-N 3.44Å; T529-S533 PolarHBondContact O-OG 3.38Å; I530-S533 PolarHBondContact O-N 3.38Å; H531-S533 PolarHBondContact O-N 3.45Å; S533-K536 PolarHBondContact O-N 2.75Å; S533-W537 WeakPolarHBondContact O-CB 3.42Å; S533-W537 PolarHBondContact O-N 3.02Å |
| 534 | L | 96.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 177.4 | -73.8 | 169.2 | 0 | 0 | 0 | 112.3 | F486 I489 L502 I518 L522 I530 W537 L538 | F486-L534 HydrophobicContact CB-CD1 4.18Å; F486-L534 HydrophobicContact CD1-CD1 4.33Å; F486-L534 HydrophobicContact CD1-CD2 3.48Å; F486-L534 VanDerWaalsContact CD1-CD2 3.48Å; F486-L534 HydrophobicContact CE1-CD2 3.9Å; F486-L534 HydrophobicContact CG-CD1 4.16Å; F486-L534 HydrophobicContact CG-CD2 4.14Å; I489-L534 HydrophobicContact CD1-CD2 3.64Å; I489-L534 HydrophobicContact CD1-CG 4.28Å; I489-L534 HydrophobicContact CG2-CD2 4.28Å; I489-L534 HydrophobicContact CG2-CG 4.14Å; L502-L534 HydrophobicContact CD1-CD2 4.49Å; I518-L534 HydrophobicContact CG2-CB 4.41Å; L522-L534 HydrophobicContact CD2-CB 4.07Å; L522-L534 HydrophobicContact CD2-CD1 3.9Å; L522-L534 HydrophobicContact CG-CD1 4.37Å; I530-L534 HydrophobicContact CG2-CD1 3.81Å; I530-L534 HydrophobicContact CG2-CG 4.36Å; I530-L534 PolarHBondContact O-N 3.13Å; L534-W537 PolarHBondContact O-N 3.14Å; L534-L538 PolarHBondContact O-N 3.09Å |
| 535 | I | 96.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.1 | -40 | 179.1 | -66.2 | 172 | 0 | 0 | 0 | 110.6 | L522 H531 L538 S539 I557 V569 S572 L576 | L522-I535 HydrophobicContact CD1-CG1 4.17Å; L522-I535 HydrophobicContact CD2-CG1 4.33Å; H531-I535 WeakPolarHBondContact O-CB 3.48Å; H531-I535 VanDerWaalsContact O-CG1 3.23Å; H531-I535 WeakPolarHBondContact O-CG1 3.17Å; H531-I535 PolarHBondContact O-N 2.59Å; H531-I535 VanDerWaalsContact O-N 3.07Å; I535-L538 PolarHBondContact O-N 2.8Å; I535-S539 PolarHBondContact O-N 3.25Å; I535-I557 HydrophobicContact CG1-CG2 4.09Å; I535-V569 HydrophobicContact CD1-CG1 4.06Å; I535-S572 VanDerWaalsContact CG2-C 3.49Å; I535-S572 VanDerWaalsContact CG2-O 3.31Å; I535-S572 WeakPolarHBondContact CG2-O 3.43Å; I535-L576 HydrophobicContact CG2-CB 3.91Å; I535-L576 HydrophobicContact CG2-CD2 3.9Å |
| 536 | K | 94.5 | Very high | 87.6 | Confident | 90 Ų | 90 | 46.7 Ų | 46.7 | 39% | 0.391 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 173.8 | -80.8 | -177.2 | 173.4 | -170.4 | 0 | 112.6 | S532 S533 L538 S539 S540 S572 E575 | S532-K536 WeakPolarHBondContact O-CB 3.26Å; S532-K536 VanDerWaalsContact O-CG 3.31Å; S532-K536 WeakPolarHBondContact O-CG 2.82Å; S532-K536 PolarHBondContact O-N 3.32Å; S533-K536 PolarHBondContact O-N 2.75Å; K536-L538 VanDerWaalsContact C-N 3.33Å; K536-L538 PolarHBondContact O-N 2.98Å; K536-S539 WeakPolarHBondContact O-CB 3.43Å; K536-S539 PolarHBondContact O-N 3.35Å; K536-S540 PolarHBondContact O-N 3.03Å; K536-S572 VanDerWaalsContact CE-OG 3.25Å; K536-S572 WeakPolarHBondContact CE-OG 3.44Å; K536-S572 WeakPolarHBondContact CG-OG 3.34Å; K536-E575 WeakPolarHBondContact CE-OE2 3.13Å |
| 537 | W | 94.6 | Very high | 86.6 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -37.2 | 176.5 | -179.7 | 85 | 0 | 0 | 0 | 112.1 | I489 E499 L502 R503 I506 T514 I518 S533 L534 S540 S541 | I489-W537 HydrophobicContact CD1-CB 4.4Å; E499-W537 VanDerWaalsContact CB-CD1 3.47Å; E499-W537 HydrophobicContact CG-CG 4.2Å; E499-W537 PolarHBondContact O-NE1 3.19Å; E499-W537 VanDerWaalsContact O-NE1 3.14Å; L502-W537 HydrophobicContact CB-CH2 3.63Å; L502-W537 HydrophobicContact CB-CZ2 3.3Å; L502-W537 HydrophobicContact CB-CZ3 4.42Å; L502-W537 HydrophobicContact CD1-CD2 4.24Å; L502-W537 HydrophobicContact CD1-CE3 4.41Å; L502-W537 HydrophobicContact CD1-CZ2 4.41Å; L502-W537 HydrophobicContact CG-CZ2 4.48Å; R503-W537 HydrophobicContact CG-CZ2 4.03Å; I506-W537 HydrophobicContact CD1-CH2 3.42Å; I506-W537 VanDerWaalsContact CD1-CH2 3.42Å; I506-W537 HydrophobicContact CD1-CZ2 4.01Å; I506-W537 HydrophobicContact CD1-CZ3 4.33Å; I506-W537 HydrophobicContact CG1-CH2 4.19Å; T514-W537 HydrophobicContact CG2-CH2 4.38Å; I518-W537 HydrophobicContact CD1-CE3 3.94Å; I518-W537 HydrophobicContact CD1-CZ3 3.48Å; I518-W537 VanDerWaalsContact CD1-CZ3 3.48Å; S533-W537 WeakPolarHBondContact O-CB 3.42Å; S533-W537 PolarHBondContact O-N 3.02Å; L534-W537 PolarHBondContact O-N 3.14Å; W537-S540 PolarHBondContact O-N 3.21Å; W537-S540 PolarHBondContact O-OG 3.14Å; W537-S541 WeakPolarHBondContact O-CB 3.48Å; W537-S541 PolarHBondContact O-N 3.49Å; W537-S541 PolarHBondContact O-OG 3.1Å |
| 538 | L | 94.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 171.1 | -80.5 | 174.6 | 0 | 0 | 0 | 111.7 | F511 V515 I518 L534 I535 K536 S540 S541 I542 L554 I557 L576 | F511-L538 HydrophobicContact CE2-CD2 4.47Å; V515-L538 HydrophobicContact CG2-CD2 4.06Å; I518-L538 HydrophobicContact CB-CD1 4.47Å; I518-L538 HydrophobicContact CD1-CD1 4.4Å; I518-L538 HydrophobicContact CD1-CD2 3.72Å; I518-L538 HydrophobicContact CD1-CG 4.02Å; I518-L538 HydrophobicContact CG2-CD1 3.71Å; I518-L538 HydrophobicContact CG2-CG 4.38Å; L534-L538 PolarHBondContact O-N 3.09Å; I535-L538 PolarHBondContact O-N 2.8Å; K536-L538 VanDerWaalsContact C-N 3.33Å; K536-L538 PolarHBondContact O-N 2.98Å; L538-S540 VanDerWaalsContact C-N 3.3Å; L538-S540 PolarHBondContact O-N 2.88Å; L538-S541 PolarHBondContact O-N 2.88Å; L538-I542 WeakPolarHBondContact O-CD1 3.33Å; L538-I542 WeakPolarHBondContact O-CG1 3.27Å; L538-I542 PolarHBondContact O-N 3.15Å; L538-L554 HydrophobicContact CD1-CD2 4.46Å; L538-L554 HydrophobicContact CD2-CD2 4.49Å; L538-I557 HydrophobicContact CD1-CD1 3.87Å; L538-I557 HydrophobicContact CD1-CG2 4.14Å; L538-L576 HydrophobicContact CB-CD1 4.11Å; L538-L576 HydrophobicContact CB-CD2 4.49Å |
| 539 | S | 93.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57 | -42.4 | 177.6 | 178.9 | 0 | 0 | 0 | 0 | 112.2 | I535 K536 E575 | I535-S539 PolarHBondContact O-N 3.25Å; K536-S539 WeakPolarHBondContact O-CB 3.43Å; K536-S539 PolarHBondContact O-N 3.35Å; S539-E575 PolarHBondContact OG-O 3.35Å |
| 540 | S | 90.6 | Very high | 83.8 | Confident | 57 Ų | 57 | 46.2 Ų | 46.2 | 40% | 0.399 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73.6 | -35.1 | 176.9 | 63.5 | 0 | 0 | 0 | 0 | 113 | K536 W537 L538 | K536-S540 PolarHBondContact O-N 3.03Å; W537-S540 PolarHBondContact O-N 3.21Å; W537-S540 PolarHBondContact O-OG 3.14Å; L538-S540 VanDerWaalsContact C-N 3.3Å; L538-S540 PolarHBondContact O-N 2.88Å |
| 541 | S | 89 | Confident | 83.2 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.6 | -36.9 | -177.9 | -59 | 0 | 0 | 0 | 0 | 113.1 | W537 L538 R543 S544 | W537-S541 WeakPolarHBondContact O-CB 3.48Å; W537-S541 PolarHBondContact O-N 3.49Å; W537-S541 PolarHBondContact O-OG 3.1Å; L538-S541 PolarHBondContact O-N 2.88Å; S541-R543 VanDerWaalsContact C-N 3.3Å; S541-R543 PolarHBondContact O-N 2.87Å; S541-S544 PolarHBondContact O-N 3.46Å; S541-S544 PolarHBondContact O-OG 3.19Å |
| 542 | I | 86.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.2 | -33.2 | 179.7 | -71.1 | 158.4 | 0 | 0 | 0 | 112.1 | F511 L538 S544 L545 F549 L554 L576 L580 C583 | F511-I542 HydrophobicContact CE1-CG1 4.39Å; F511-I542 HydrophobicContact CE2-CG1 4.34Å; F511-I542 HydrophobicContact CZ-CD1 4.37Å; F511-I542 HydrophobicContact CZ-CG1 3.58Å; L538-I542 WeakPolarHBondContact O-CD1 3.33Å; L538-I542 WeakPolarHBondContact O-CG1 3.27Å; L538-I542 PolarHBondContact O-N 3.15Å; I542-S544 PolarHBondContact O-N 3.04Å; I542-S544 VanDerWaalsContact O-N 3.08Å; I542-L545 PolarHBondContact O-N 2.7Å; I542-F549 HydrophobicContact CG2-CE1 3.95Å; I542-F549 HydrophobicContact CG2-CE2 4.48Å; I542-F549 HydrophobicContact CG2-CZ 3.7Å; I542-L554 HydrophobicContact CD1-CD1 3.75Å; I542-L554 HydrophobicContact CD1-CD2 3.78Å; I542-L554 HydrophobicContact CD1-CG 4.36Å; I542-L554 HydrophobicContact CG1-CD1 4.29Å; I542-L576 HydrophobicContact CD1-CD1 3.41Å; I542-L576 VanDerWaalsContact CD1-CD1 3.41Å; I542-L580 HydrophobicContact CD1-CD2 4.21Å; I542-C583 HydrophobicContact CG2-CB 4.34Å |
| 543 | R | 80.5 | Confident | 82.3 | Confident | 124 Ų | 124 | 50.3 Ų | 50.3 | 47% | 0.468 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16.9 | 178.9 | -67.8 | 176.3 | -173.6 | -95.8 | 0.5 | 113.8 | S541 A579 | S541-R543 VanDerWaalsContact C-N 3.3Å; S541-R543 PolarHBondContact O-N 2.87Å; R543-A579 HydrophobicContact CG-CB 4.25Å |
| 544 | S | 72.1 | Confident | 82.1 | Confident | 100 Ų | 100 | 49 Ų | 49 | 70% | 0.699 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 0.1 | 176.9 | 60.7 | 0 | 0 | 0 | 0 | 114.6 | S541 I542 | S541-S544 PolarHBondContact O-N 3.46Å; S541-S544 PolarHBondContact O-OG 3.19Å; I542-S544 PolarHBondContact O-N 3.04Å; I542-S544 VanDerWaalsContact O-N 3.08Å |
| 545 | L | 68 | Low | 81.8 | Confident | 60 Ų | 60 | 49.3 Ų | 49.3 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -106.7 | 147.7 | -175.3 | -68.4 | 166.2 | 0 | 0 | 0 | 111.7 | F511 I542 | F511-L545 HydrophobicContact CB-CD1 4.18Å; F511-L545 HydrophobicContact CD1-CD1 3.59Å; F511-L545 HydrophobicContact CD2-CD1 3.34Å; F511-L545 HydrophobicContact CE1-CD1 3.67Å; F511-L545 HydrophobicContact CE2-CD1 3.44Å; F511-L545 VanDerWaalsContact CE2-CD1 3.44Å; F511-L545 HydrophobicContact CG-CD1 3.42Å; F511-L545 VanDerWaalsContact CG-CD1 3.42Å; F511-L545 HydrophobicContact CZ-CD1 3.61Å; I542-L545 PolarHBondContact O-N 2.7Å |
| 546 | D | 59.6 | Low | 81.5 | Confident | 144 Ų | 144 | 53.2 Ų | 53.2 | 77% | 0.77 | 28% | 0.283 | S | S | * | . | trans | -65.3 | 155 | 168.7 | -63.3 | -31.2 | 0 | 0 | 0 | 110.1 | N548 F549 | D546-N548 PolarHBondContact O-N 2.91Å; D546-F549 WeakPolarHBondContact O-CD1 3.38Å | ||
| 547 | S | 55.4 | Low | 81.5 | Confident | 60 Ų | 60 | 48.9 Ų | 48.9 | 42% | 0.42 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -62.2 | 5.6 | -172.2 | 53 | 0 | 0 | 0 | 0 | 116.4 | F549 | S547-F549 PolarHBondContact O-N 3.11Š|
| 548 | N | 61.1 | Low | 81.6 | Confident | 156 Ų | 156 | 48.8 Ų | 48.8 | 83% | 0.834 | 26% | 0.264 | S | S | * | . | trans | -96.9 | 70 | -176.9 | -74 | -14.1 | 0 | 0 | 0 | 112.3 | D546 | D546-N548 PolarHBondContact O-N 2.91Š| ||
| 549 | F | 73.2 | Confident | 81.6 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 9% | 0.092 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -136.8 | 159 | 172.2 | 56.7 | -99.2 | 0 | 0 | 0 | 111.9 | F511 I542 D546 S547 H551 L554 L580 C583 L584 | F511-F549 HydrophobicContact CD1-CB 4.04Å; F511-F549 HydrophobicContact CE1-CB 3.98Å; F511-F549 HydrophobicContact CE1-CG 4.2Å; I542-F549 HydrophobicContact CG2-CE1 3.95Å; I542-F549 HydrophobicContact CG2-CE2 4.48Å; I542-F549 HydrophobicContact CG2-CZ 3.7Å; D546-F549 WeakPolarHBondContact O-CD1 3.38Å; S547-F549 PolarHBondContact O-N 3.11Å; F549-H551 HydrophobicContact CE2-CB 4.39Å; F549-H551 PolarHBondContact O-N 3.34Å; F549-L554 HydrophobicContact CD2-CD1 3.39Å; F549-L554 HydrophobicContact CE2-CD1 3.46Å; F549-L554 VanDerWaalsContact CE2-CD1 3.46Å; F549-L554 HydrophobicContact CG-CD1 4.4Å; F549-L580 HydrophobicContact CE2-CD2 3.62Å; F549-L580 HydrophobicContact CZ-CD2 4.01Å; F549-C583 HydrophobicContact CE1-CB 4.2Å; F549-C583 HydrophobicContact CZ-CB 4.01Å; F549-L584 HydrophobicContact CE2-CD1 4.16Å; F549-L584 HydrophobicContact CE2-CD2 4.42Å; F549-L584 HydrophobicContact CZ-CD1 4.31Å; F549-L584 HydrophobicContact CZ-CD2 4.07Å; F549-L584 HydrophobicContact CZ-CG 4.21Å |
| 550 | D | 74.2 | Confident | 81.5 | Confident | 82 Ų | 82 | 56 Ų | 56 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | trans | -69.5 | 101.3 | 175.4 | -178.9 | 4.3 | 0 | 0 | 0 | 110.6 | L552 | D550-L552 WeakPolarHBondContact OD1-CB 3.37Å; D550-L552 PolarHBondContact OD1-N 3.35Å | ||
| 551 | H | 80.5 | Confident | 81.7 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 19% | 0.185 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -75.3 | -22.4 | -179.1 | 60.1 | -83.6 | 0 | 0 | 0 | 112.8 | F549 L554 I555 L584 | F549-H551 HydrophobicContact CE2-CB 4.39Å; F549-H551 PolarHBondContact O-N 3.34Å; H551-L554 PolarHBondContact O-N 2.78Å; H551-I555 WeakPolarHBondContact O-CB 3.17Å; H551-I555 WeakPolarHBondContact O-CD1 3.19Å; H551-I555 WeakPolarHBondContact O-CG1 3.4Å; H551-I555 PolarHBondContact O-N 3.09Å; H551-L584 HydrophobicContact CB-CD1 3.45Å; H551-L584 VanDerWaalsContact CB-CD1 3.45Å |
| 552 | L | 86 | Confident | 81.9 | Confident | 50 Ų | 50 | 53 Ų | 53 | 26% | 0.262 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.1 | -43.9 | -177.4 | -69.7 | -170.9 | 0 | 0 | 0 | 111.7 | D550 L554 I555 E556 F593 Q885 | D550-L552 WeakPolarHBondContact OD1-CB 3.37Å; D550-L552 PolarHBondContact OD1-N 3.35Å; L552-L554 VanDerWaalsContact C-N 3.26Å; L552-L554 PolarHBondContact O-N 2.6Å; L552-I555 HydrophobicContact CD2-CD1 4.42Å; L552-I555 WeakPolarHBondContact O-CB 3.33Å; L552-I555 PolarHBondContact O-N 3.05Å; L552-E556 PolarHBondContact O-N 2.67Å; L552-F593 HydrophobicContact CD2-CE1 3.91Å; L552-F593 HydrophobicContact CD2-CZ 4.21Å; L552-Q885 HydrophobicContact CD1-CG 4Å |
| 553 | L | 85.5 | Confident | 82.1 | Confident | 34 Ų | 34 | 56 Ų | 56 | 18% | 0.178 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 176.4 | -172.4 | 62.4 | 0 | 0 | 0 | 111.6 | V515 E516 N519 E556 I557 | V515-L553 HydrophobicContact CB-CD2 4.25Å; V515-L553 HydrophobicContact CG1-CD2 3.68Å; V515-L553 HydrophobicContact CG1-CG 3.93Å; E516-L553 HydrophobicContact CB-CD2 4.32Å; N519-L553 HydrophobicContact CB-CD1 4.13Å; N519-L553 WeakPolarHBondContact ND2-CD1 3.49Å; L553-E556 WeakPolarHBondContact O-CB 3.38Å; L553-E556 PolarHBondContact O-N 3.44Å; L553-I557 WeakPolarHBondContact O-CG1 3.45Å; L553-I557 PolarHBondContact O-N 2.93Å; L553-I557 VanDerWaalsContact O-N 3.11Å |
| 554 | L | 91.4 | Very high | 82.5 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 175.5 | -69.4 | 167.5 | 0 | 0 | 0 | 112.1 | F511 V515 L538 I542 F549 H551 L552 E556 I557 V558 L580 | F511-L554 HydrophobicContact CE1-CD1 4.27Å; F511-L554 HydrophobicContact CZ-CD1 4.47Å; V515-L554 HydrophobicContact CG1-CD2 3.67Å; V515-L554 HydrophobicContact CG1-CG 4.14Å; V515-L554 HydrophobicContact CG2-CD2 4.16Å; L538-L554 HydrophobicContact CD1-CD2 4.46Å; L538-L554 HydrophobicContact CD2-CD2 4.49Å; I542-L554 HydrophobicContact CD1-CD1 3.75Å; I542-L554 HydrophobicContact CD1-CD2 3.78Å; I542-L554 HydrophobicContact CD1-CG 4.36Å; I542-L554 HydrophobicContact CG1-CD1 4.29Å; F549-L554 HydrophobicContact CD2-CD1 3.39Å; F549-L554 HydrophobicContact CE2-CD1 3.46Å; F549-L554 VanDerWaalsContact CE2-CD1 3.46Å; F549-L554 HydrophobicContact CG-CD1 4.4Å; H551-L554 PolarHBondContact O-N 2.78Å; L552-L554 VanDerWaalsContact C-N 3.26Å; L552-L554 PolarHBondContact O-N 2.6Å; L554-E556 VanDerWaalsContact C-N 3.31Å; L554-E556 PolarHBondContact O-N 3.1Å; L554-I557 HydrophobicContact CD2-CD1 4.39Å; L554-I557 PolarHBondContact O-N 3.08Å; L554-V558 WeakPolarHBondContact O-CG2 3.18Å; L554-V558 PolarHBondContact O-N 3.46Å; L554-L580 HydrophobicContact CB-CD1 3.97Å; L554-L580 HydrophobicContact CB-CD2 3.88Å; L554-L580 HydrophobicContact CD1-CD2 3.74Å; L554-L580 HydrophobicContact CG-CD2 4.41Å |
| 555 | I | 90.7 | Very high | 83.2 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 171.9 | -71.3 | 162.2 | 0 | 0 | 0 | 110.6 | H551 L552 I557 V558 K559 F593 F594 | H551-I555 WeakPolarHBondContact O-CB 3.17Å; H551-I555 WeakPolarHBondContact O-CD1 3.19Å; H551-I555 WeakPolarHBondContact O-CG1 3.4Å; H551-I555 PolarHBondContact O-N 3.09Å; L552-I555 HydrophobicContact CD2-CD1 4.42Å; L552-I555 WeakPolarHBondContact O-CB 3.33Å; L552-I555 PolarHBondContact O-N 3.05Å; I555-I557 VanDerWaalsContact C-N 3.34Å; I555-I557 PolarHBondContact O-N 3.45Å; I555-V558 PolarHBondContact O-N 2.88Å; I555-K559 HydrophobicContact CG2-CD 4.44Å; I555-K559 WeakPolarHBondContact O-CG 3.48Å; I555-K559 PolarHBondContact O-N 2.92Å; I555-F593 HydrophobicContact CD1-CB 4.43Å; I555-F593 HydrophobicContact CD1-CD1 3.99Å; I555-F593 HydrophobicContact CD1-CD2 3.85Å; I555-F593 HydrophobicContact CD1-CE1 4.14Å; I555-F593 HydrophobicContact CD1-CE2 3.99Å; I555-F593 HydrophobicContact CD1-CG 3.83Å; I555-F593 HydrophobicContact CD1-CZ 4.13Å; I555-F593 HydrophobicContact CG2-CB 4Å; I555-F593 HydrophobicContact CG2-CD1 4.19Å; I555-F593 HydrophobicContact CG2-CG 4.26Å; I555-F594 HydrophobicContact CG2-CE1 4.11Å; I555-F594 HydrophobicContact CG2-CZ 4.31Å |
| 556 | E | 90.9 | Very high | 84.2 | Confident | 81 Ų | 81 | 49.8 Ų | 49.8 | 38% | 0.379 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 174 | -165 | -164 | 171.7 | 0 | 0 | 111.2 | N519 K523 L552 L553 L554 V558 K559 F560 | N519-E556 PolarHBondContact ND2-OE2 3.27Å; K523-E556 WeakPolarHBondContact CE-OE1 3.43Å; K523-E556 IonicContact NZ-OE1 2.78Å; K523-E556 PolarHBondContact NZ-OE1 2.69Å; K523-E556 IonicContact NZ-OE2 3.24Å; L552-E556 PolarHBondContact O-N 2.67Å; L553-E556 WeakPolarHBondContact O-CB 3.38Å; L553-E556 PolarHBondContact O-N 3.44Å; L554-E556 VanDerWaalsContact C-N 3.31Å; L554-E556 PolarHBondContact O-N 3.1Å; E556-V558 VanDerWaalsContact C-N 3.33Å; E556-V558 PolarHBondContact O-N 2.97Å; E556-K559 PolarHBondContact O-N 3.43Å; E556-F560 WeakPolarHBondContact O-CB 3.3Å; E556-F560 PolarHBondContact O-N 3.39Å |
| 557 | I | 94.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 176.3 | -67.9 | 169.5 | 0 | 0 | 0 | 111.3 | V515 N519 L522 I535 L538 L553 L554 I555 F560 G561 L576 | V515-I557 HydrophobicContact CG1-CD1 3.76Å; N519-I557 HydrophobicContact CB-CD1 4.07Å; N519-I557 HydrophobicContact CB-CG1 4.11Å; L522-I557 HydrophobicContact CD1-CG1 4.29Å; L522-I557 HydrophobicContact CD1-CG2 3.69Å; I535-I557 HydrophobicContact CG1-CG2 4.09Å; L538-I557 HydrophobicContact CD1-CD1 3.87Å; L538-I557 HydrophobicContact CD1-CG2 4.14Å; L553-I557 WeakPolarHBondContact O-CG1 3.45Å; L553-I557 PolarHBondContact O-N 2.93Å; L553-I557 VanDerWaalsContact O-N 3.11Å; L554-I557 HydrophobicContact CD2-CD1 4.39Å; L554-I557 PolarHBondContact O-N 3.08Å; I555-I557 VanDerWaalsContact C-N 3.34Å; I555-I557 PolarHBondContact O-N 3.45Å; I557-F560 PolarHBondContact O-N 2.84Å; I557-G561 PolarHBondContact O-N 3.15Å; I557-L576 HydrophobicContact CG2-CD2 3.88Å |
| 558 | V | 95.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.9 | -51 | 173.9 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | L554 I555 E556 F560 G561 L562 L576 A577 L580 F594 | L554-V558 WeakPolarHBondContact O-CG2 3.18Å; L554-V558 PolarHBondContact O-N 3.46Å; I555-V558 PolarHBondContact O-N 2.88Å; E556-V558 VanDerWaalsContact C-N 3.33Å; E556-V558 PolarHBondContact O-N 2.97Å; V558-F560 VanDerWaalsContact C-N 3.31Å; V558-F560 PolarHBondContact O-N 2.93Å; V558-G561 CarbonylContact O-C 3.32Å; V558-G561 WeakPolarHBondContact O-CA 3.4Å; V558-G561 PolarHBondContact O-N 2.84Å; V558-L562 HydrophobicContact CG1-CD1 3.76Å; V558-L562 HydrophobicContact CG1-CG 3.98Å; V558-L562 WeakPolarHBondContact O-CG 3.39Å; V558-L562 PolarHBondContact O-N 2.75Å; V558-L576 HydrophobicContact CG2-CB 4.15Å; V558-L576 HydrophobicContact CG2-CD2 3.66Å; V558-L576 HydrophobicContact CG2-CG 3.66Å; V558-A577 HydrophobicContact CG1-CB 3.94Å; V558-A577 HydrophobicContact CG2-CB 4.37Å; V558-L580 HydrophobicContact CG2-CD1 3.9Å; V558-F594 HydrophobicContact CB-CE1 4.02Å; V558-F594 HydrophobicContact CB-CZ 3.94Å; V558-F594 HydrophobicContact CG1-CD1 4.4Å; V558-F594 HydrophobicContact CG1-CE1 3.48Å; V558-F594 VanDerWaalsContact CG1-CE1 3.48Å; V558-F594 HydrophobicContact CG1-CE2 4.34Å; V558-F594 HydrophobicContact CG1-CZ 3.45Å; V558-F594 VanDerWaalsContact CG1-CZ 3.45Å; V558-F594 HydrophobicContact CG2-CZ 4.48Å |
| 559 | K | 94 | Very high | 89.1 | Confident | 78 Ų | 78 | 40.7 Ų | 40.7 | 34% | 0.339 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.1 | -42.7 | 178.5 | -72.7 | -176.8 | 176 | -173.2 | 0 | 112.1 | I555 E556 G561 L562 G563 F593 F594 | I555-K559 HydrophobicContact CG2-CD 4.44Å; I555-K559 WeakPolarHBondContact O-CG 3.48Å; I555-K559 PolarHBondContact O-N 2.92Å; E556-K559 PolarHBondContact O-N 3.43Å; K559-G561 VanDerWaalsContact C-N 3.3Å; K559-G561 PolarHBondContact O-N 2.87Å; K559-L562 PolarHBondContact O-N 2.82Å; K559-G563 PolarHBondContact O-N 3.44Å; K559-F593 WeakPolarHBondContact CE-O 3.32Å; K559-F593 PolarHBondContact NZ-O 2.84Å; K559-F594 HydrophobicContact CG-CD1 4.31Å; K559-F594 HydrophobicContact CG-CE1 4.07Å |
| 560 | F | 93.3 | Very high | 90.2 | Very high | 72 Ų | 72 | 43.1 Ų | 43.1 | 32% | 0.316 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55.9 | -45.3 | 172.9 | 174.3 | -94.2 | 0 | 0 | 0 | 111.7 | L522 H531 E556 I557 V558 | L522-F560 HydrophobicContact CB-CD1 4.37Å; L522-F560 HydrophobicContact CB-CE1 3.93Å; L522-F560 HydrophobicContact CB-CZ 4.34Å; L522-F560 HydrophobicContact CD2-CE1 4.34Å; L522-F560 WeakPolarHBondContact O-CZ 3.36Å; H531-F560 AromaticContact CE1-CZ 3.81Å; H531-F560 AromaticContact ND1-CE1 3.85Å; E556-F560 WeakPolarHBondContact O-CB 3.3Å; E556-F560 PolarHBondContact O-N 3.39Å; I557-F560 PolarHBondContact O-N 2.84Å; V558-F560 VanDerWaalsContact C-N 3.31Å; V558-F560 PolarHBondContact O-N 2.93Å |
| 561 | G | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.7 | -38.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | I557 V558 K559 S564 R570 | I557-G561 PolarHBondContact O-N 3.15Å; V558-G561 CarbonylContact O-C 3.32Å; V558-G561 WeakPolarHBondContact O-CA 3.4Å; V558-G561 PolarHBondContact O-N 2.84Å; K559-G561 VanDerWaalsContact C-N 3.3Å; K559-G561 PolarHBondContact O-N 2.87Å; G561-S564 VanDerWaalsContact O-CB 3.23Å; G561-S564 WeakPolarHBondContact O-CB 3.43Å; G561-S564 PolarHBondContact O-N 2.98Å; G561-R570 WeakPolarHBondContact O-CG 3.35Å |
| 562 | L | 93.7 | Very high | 92 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.1 | -37.3 | 176.8 | -66.6 | 178.8 | 0 | 0 | 0 | 112.1 | V558 K559 S564 R570 A573 I574 F594 E597 I601 L605 | V558-L562 HydrophobicContact CG1-CD1 3.76Å; V558-L562 HydrophobicContact CG1-CG 3.98Å; V558-L562 WeakPolarHBondContact O-CG 3.39Å; V558-L562 PolarHBondContact O-N 2.75Å; K559-L562 PolarHBondContact O-N 2.82Å; L562-S564 PolarHBondContact O-N 3.18Å; L562-R570 VanDerWaalsContact O-CD 3.29Å; L562-R570 WeakPolarHBondContact O-CD 3.4Å; L562-R570 WeakPolarHBondContact O-CG 3.35Å; L562-A573 HydrophobicContact CD2-CB 3.95Å; L562-A573 HydrophobicContact CG-CB 4.14Å; L562-I574 HydrophobicContact CD2-CG1 3.81Å; L562-F594 HydrophobicContact CD1-CD1 4.03Å; L562-F594 HydrophobicContact CD1-CE1 4.33Å; L562-E597 HydrophobicContact CD1-CG 4.16Å; L562-I601 HydrophobicContact CD1-CG2 4.35Å; L562-I601 HydrophobicContact CD2-CG2 3.78Å; L562-I601 HydrophobicContact CG-CG2 4.45Å; L562-L605 HydrophobicContact CD1-CD1 3.96Å |
| 563 | G | 89.9 | Confident | 92.6 | Very high | 64 Ų | 64 | 36.9 Ų | 36.9 | 66% | 0.66 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -8.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | K559 | K559-G563 PolarHBondContact O-N 3.44Š|
| 564 | S | 90.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | trans | -66.6 | 141.3 | -178.8 | -167.9 | 0 | 0 | 0 | 0 | 112.7 | G561 L562 S566 R570 | G561-S564 VanDerWaalsContact O-CB 3.23Å; G561-S564 WeakPolarHBondContact O-CB 3.43Å; G561-S564 PolarHBondContact O-N 2.98Å; L562-S564 PolarHBondContact O-N 3.18Å; S564-S566 PolarHBondContact O-N 3.02Å; S564-S566 PolarHBondContact OG-N 3.36Å; S564-R570 WeakPolarHBondContact O-CD 3.48Å; S564-R570 WeakPolarHBondContact O-CG 3.46Å; S564-R570 PolarHBondContact O-NH1 3.49Å | ||
| 565 | S | 85.7 | Confident | 93.3 | Very high | 113 Ų | 113 | 39 Ų | 39 | 79% | 0.79 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -68.5 | -21.7 | 171 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | P567 | S565-P567 WeakPolarHBondContact O-CD 3.39Š|
| 566 | S | 88.9 | Confident | 93.5 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | trans | -82.2 | 121.4 | -179.2 | 177.8 | 0 | 0 | 0 | 0 | 112 | S564 I568 V569 R570 | S564-S566 PolarHBondContact O-N 3.02Å; S564-S566 PolarHBondContact OG-N 3.36Å; S566-I568 PolarHBondContact O-N 3.46Å; S566-V569 PolarHBondContact O-N 3.12Å; S566-R570 PolarHBondContact O-N 3.02Å; S566-R570 VanDerWaalsContact O-N 3.15Å | ||
| 567 | P | 91.3 | Very high | 93.7 | Very high | 74 Ų | 74 | 34.8 Ų | 34.8 | 48% | 0.481 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.7 | -29.9 | 177.6 | -23.6 | 33.6 | 0 | 0 | 0 | 114.1 | S565 S571 | S565-P567 WeakPolarHBondContact O-CD 3.39Å; P567-S571 WeakPolarHBondContact O-CB 3.3Å; P567-S571 PolarHBondContact O-N 3.44Å; P567-S571 PolarHBondContact O-OG 2.87Å |
| 568 | I | 92.3 | Very high | 93.6 | Very high | 96 Ų | 96 | 34.8 Ų | 34.8 | 49% | 0.492 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.8 | -45.1 | 179.6 | -54.4 | 175.7 | 0 | 0 | 0 | 109.6 | S532 S566 S571 S572 | S532-I568 WeakPolarHBondContact OG-CG2 3.35Å; S566-I568 PolarHBondContact O-N 3.46Å; I568-S571 PolarHBondContact O-N 2.91Å; I568-S572 PolarHBondContact O-N 3.05Å; I568-S572 PolarHBondContact O-OG 2.81Å; I568-S572 VanDerWaalsContact O-OG 3.14Å |
| 569 | V | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 177.8 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | P528 H531 I535 S566 S571 S572 A573 | P528-V569 HydrophobicContact CB-CG2 3.96Å; P528-V569 WeakPolarHBondContact O-CG2 3.5Å; H531-V569 HydrophobicContact CB-CG1 4.06Å; H531-V569 HydrophobicContact CB-CG2 3.87Å; I535-V569 HydrophobicContact CD1-CG1 4.06Å; S566-V569 PolarHBondContact O-N 3.12Å; V569-S571 PolarHBondContact O-N 3.27Å; V569-S572 PolarHBondContact O-N 2.86Å; V569-A573 PolarHBondContact O-N 3.14Å |
| 570 | R | 95.6 | Very high | 93.3 | Very high | 71 Ų | 71 | 31 Ų | 31 | 27% | 0.268 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.2 | -37.9 | 175.7 | -68.3 | -165.4 | -64.2 | -116.4 | 5.1 | 112.2 | G561 L562 S564 S566 A573 I574 | G561-R570 WeakPolarHBondContact O-CG 3.35Å; L562-R570 VanDerWaalsContact O-CD 3.29Å; L562-R570 WeakPolarHBondContact O-CD 3.4Å; L562-R570 WeakPolarHBondContact O-CG 3.35Å; S564-R570 WeakPolarHBondContact O-CD 3.48Å; S564-R570 WeakPolarHBondContact O-CG 3.46Å; S564-R570 PolarHBondContact O-NH1 3.49Å; S566-R570 PolarHBondContact O-N 3.02Å; S566-R570 VanDerWaalsContact O-N 3.15Å; R570-A573 PolarHBondContact O-N 3.25Å; R570-I574 WeakPolarHBondContact O-CD1 3.4Å; R570-I574 VanDerWaalsContact O-CG1 3.29Å; R570-I574 WeakPolarHBondContact O-CG1 2.89Å; R570-I574 PolarHBondContact O-N 3.05Å |
| 571 | S | 96.4 | Very high | 93.1 | Very high | 42 Ų | 42 | 27.9 Ų | 27.9 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -70.5 | -40 | 179.6 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | P567 I568 V569 A573 I574 E575 R604 | P567-S571 WeakPolarHBondContact O-CB 3.3Å; P567-S571 PolarHBondContact O-N 3.44Å; P567-S571 PolarHBondContact O-OG 2.87Å; I568-S571 PolarHBondContact O-N 2.91Å; V569-S571 PolarHBondContact O-N 3.27Å; S571-A573 VanDerWaalsContact C-N 3.31Å; S571-A573 PolarHBondContact O-N 2.93Å; S571-I574 PolarHBondContact O-N 3.24Å; S571-E575 PolarHBondContact O-N 3.07Å; S571-R604 PolarHBondContact OG-NH2 3.24Å |
| 572 | S | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -37.4 | 170.8 | -54.2 | 0 | 0 | 0 | 0 | 112.6 | S532 I535 K536 I568 V569 E575 L576 | S532-S572 PolarHBondContact O-OG 3.15Å; S532-S572 PolarHBondContact OG-OG 2.78Å; I535-S572 VanDerWaalsContact CG2-C 3.49Å; I535-S572 VanDerWaalsContact CG2-O 3.31Å; I535-S572 WeakPolarHBondContact CG2-O 3.43Å; K536-S572 VanDerWaalsContact CE-OG 3.25Å; K536-S572 WeakPolarHBondContact CE-OG 3.44Å; K536-S572 WeakPolarHBondContact CG-OG 3.34Å; I568-S572 PolarHBondContact O-N 3.05Å; I568-S572 PolarHBondContact O-OG 2.81Å; I568-S572 VanDerWaalsContact O-OG 3.14Å; V569-S572 PolarHBondContact O-N 2.86Å; S572-E575 WeakPolarHBondContact O-CB 3.34Å; S572-E575 PolarHBondContact O-N 2.83Å; S572-L576 PolarHBondContact O-N 2.66Å |
| 573 | A | 97.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.6 | -39.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L562 V569 R570 S571 E575 L576 A577 | L562-A573 HydrophobicContact CD2-CB 3.95Å; L562-A573 HydrophobicContact CG-CB 4.14Å; V569-A573 PolarHBondContact O-N 3.14Å; R570-A573 PolarHBondContact O-N 3.25Å; S571-A573 VanDerWaalsContact C-N 3.31Å; S571-A573 PolarHBondContact O-N 2.93Å; A573-E575 VanDerWaalsContact C-N 3.33Å; A573-L576 PolarHBondContact O-N 3.23Å; A573-A577 WeakPolarHBondContact O-CB 3.4Å; A573-A577 PolarHBondContact O-N 3.11Å |
| 574 | I | 96.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -43 | 172.1 | -68.5 | 160.4 | 0 | 0 | 0 | 110.3 | L562 R570 S571 L576 A577 G578 R604 L605 E608 | L562-I574 HydrophobicContact CD2-CG1 3.81Å; R570-I574 WeakPolarHBondContact O-CD1 3.4Å; R570-I574 VanDerWaalsContact O-CG1 3.29Å; R570-I574 WeakPolarHBondContact O-CG1 2.89Å; R570-I574 PolarHBondContact O-N 3.05Å; S571-I574 PolarHBondContact O-N 3.24Å; I574-L576 VanDerWaalsContact C-N 3.35Å; I574-L576 PolarHBondContact O-N 3.12Å; I574-A577 WeakPolarHBondContact O-CB 3.37Å; I574-A577 PolarHBondContact O-N 3.23Å; I574-G578 PolarHBondContact O-N 2.98Å; I574-R604 HydrophobicContact CD1-CB 3.75Å; I574-L605 HydrophobicContact CB-CD2 4.38Å; I574-L605 HydrophobicContact CG1-CD2 4Å; I574-L605 HydrophobicContact CG1-CG 4.33Å; I574-L605 HydrophobicContact CG2-CD2 4.35Å; I574-E608 HydrophobicContact CG2-CB 3.79Å; I574-E608 HydrophobicContact CG2-CG 3.97Å |
| 575 | E | 95.4 | Very high | 90.8 | Very high | 70 Ų | 70 | 31 Ų | 31 | 33% | 0.327 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 176.7 | -166.1 | -175.2 | 156.6 | 0 | 0 | 112.1 | K536 S539 S571 S572 A573 G578 A579 | K536-E575 WeakPolarHBondContact CE-OE2 3.13Å; S539-E575 PolarHBondContact OG-O 3.35Å; S571-E575 PolarHBondContact O-N 3.07Å; S572-E575 WeakPolarHBondContact O-CB 3.34Å; S572-E575 PolarHBondContact O-N 2.83Å; A573-E575 VanDerWaalsContact C-N 3.33Å; E575-G578 PolarHBondContact O-N 3.02Å; E575-A579 PolarHBondContact O-N 3.15Å |
| 576 | L | 95.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 174.2 | 175.8 | 61.6 | 0 | 0 | 0 | 112 | I535 L538 I542 I557 V558 S572 A573 I574 G578 A579 L580 | I535-L576 HydrophobicContact CG2-CB 3.91Å; I535-L576 HydrophobicContact CG2-CD2 3.9Å; L538-L576 HydrophobicContact CB-CD1 4.11Å; L538-L576 HydrophobicContact CB-CD2 4.49Å; I542-L576 HydrophobicContact CD1-CD1 3.41Å; I542-L576 VanDerWaalsContact CD1-CD1 3.41Å; I557-L576 HydrophobicContact CG2-CD2 3.88Å; V558-L576 HydrophobicContact CG2-CB 4.15Å; V558-L576 HydrophobicContact CG2-CD2 3.66Å; V558-L576 HydrophobicContact CG2-CG 3.66Å; S572-L576 PolarHBondContact O-N 2.66Å; A573-L576 PolarHBondContact O-N 3.23Å; I574-L576 VanDerWaalsContact C-N 3.35Å; I574-L576 PolarHBondContact O-N 3.12Å; L576-G578 VanDerWaalsContact C-N 3.3Å; L576-G578 PolarHBondContact O-N 3.15Å; L576-A579 PolarHBondContact O-N 3.38Å; L576-L580 HydrophobicContact CD1-CG 4.5Å; L576-L580 HydrophobicContact CG-CD1 4.45Å; L576-L580 WeakPolarHBondContact O-CG 3.25Å; L576-L580 PolarHBondContact O-N 3.48Å |
| 577 | A | 94.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | V558 A573 I574 L580 H581 F594 L605 F609 | V558-A577 HydrophobicContact CG1-CB 3.94Å; V558-A577 HydrophobicContact CG2-CB 4.37Å; A573-A577 WeakPolarHBondContact O-CB 3.4Å; A573-A577 PolarHBondContact O-N 3.11Å; I574-A577 WeakPolarHBondContact O-CB 3.37Å; I574-A577 PolarHBondContact O-N 3.23Å; A577-L580 PolarHBondContact O-N 3.42Å; A577-H581 WeakPolarHBondContact O-CB 3.3Å; A577-H581 PolarHBondContact O-N 3.12Å; A577-F594 HydrophobicContact CB-CE2 4.16Å; A577-F594 HydrophobicContact CB-CZ 4.48Å; A577-L605 HydrophobicContact CB-CD2 3.59Å; A577-F609 HydrophobicContact CB-CE1 4.01Å; A577-F609 HydrophobicContact CB-CZ 4.14Å |
| 578 | G | 92.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I574 E575 L576 L580 H581 A582 I612 | I574-G578 PolarHBondContact O-N 2.98Å; E575-G578 PolarHBondContact O-N 3.02Å; L576-G578 VanDerWaalsContact C-N 3.3Å; L576-G578 PolarHBondContact O-N 3.15Å; G578-L580 VanDerWaalsContact C-N 3.33Å; G578-L580 PolarHBondContact O-N 2.99Å; G578-H581 PolarHBondContact O-N 3.11Å; G578-A582 PolarHBondContact O-N 2.67Å; G578-I612 WeakPolarHBondContact O-CD1 3.45Å |
| 579 | A | 91.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.1 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R543 E575 L576 A582 C583 | R543-A579 HydrophobicContact CG-CB 4.25Å; E575-A579 PolarHBondContact O-N 3.15Å; L576-A579 PolarHBondContact O-N 3.38Å; A579-A582 PolarHBondContact O-N 2.99Å; A579-C583 PolarHBondContact O-N 3.38Å; A579-C583 PolarHBondContact O-SG 3.5Å; A579-C583 VanDerWaalsContact O-SG 3.4Å |
| 580 | L | 90.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 174.4 | -72.8 | 169.5 | 0 | 0 | 0 | 112 | I542 F549 L554 V558 L576 A577 G578 A582 C583 L584 I590 | I542-L580 HydrophobicContact CD1-CD2 4.21Å; F549-L580 HydrophobicContact CE2-CD2 3.62Å; F549-L580 HydrophobicContact CZ-CD2 4.01Å; L554-L580 HydrophobicContact CB-CD1 3.97Å; L554-L580 HydrophobicContact CB-CD2 3.88Å; L554-L580 HydrophobicContact CD1-CD2 3.74Å; L554-L580 HydrophobicContact CG-CD2 4.41Å; V558-L580 HydrophobicContact CG2-CD1 3.9Å; L576-L580 HydrophobicContact CD1-CG 4.5Å; L576-L580 HydrophobicContact CG-CD1 4.45Å; L576-L580 WeakPolarHBondContact O-CG 3.25Å; L576-L580 PolarHBondContact O-N 3.48Å; A577-L580 PolarHBondContact O-N 3.42Å; G578-L580 VanDerWaalsContact C-N 3.33Å; G578-L580 PolarHBondContact O-N 2.99Å; L580-A582 VanDerWaalsContact C-N 3.32Å; L580-A582 PolarHBondContact O-N 3.45Å; L580-C583 PolarHBondContact O-N 3.1Å; L580-C583 VanDerWaalsContact O-N 3.07Å; L580-L584 HydrophobicContact CD2-CD1 4.43Å; L580-L584 PolarHBondContact O-N 3.17Å; L580-I590 HydrophobicContact CB-CD1 3.58Å; L580-I590 WeakPolarHBondContact O-CD1 3.42Å |
| 581 | H | 89.1 | Confident | 86 | Confident | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 178.4 | -177.2 | 66 | 0 | 0 | 0 | 110.6 | A577 G578 C583 L584 H585 I590 R591 F609 D613 | A577-H581 WeakPolarHBondContact O-CB 3.3Å; A577-H581 PolarHBondContact O-N 3.12Å; G578-H581 PolarHBondContact O-N 3.11Å; H581-C583 PolarHBondContact O-N 3.04Å; H581-L584 PolarHBondContact O-N 3.46Å; H581-H585 VanDerWaalsContact O-CB 3.25Å; H581-H585 WeakPolarHBondContact O-CB 3.27Å; H581-H585 PolarHBondContact O-N 3.45Å; H581-I590 HydrophobicContact CB-CD1 4.43Å; H581-R591 PolarHBondContact CE1-NH1 3.43Å; H581-R591 VanDerWaalsContact CE1-NH1 3.29Å; H581-F609 HydrophobicContact CB-CD1 3.61Å; H581-F609 HydrophobicContact CB-CE1 3.78Å; H581-F609 AromaticContact CG-CD1 3.71Å; H581-D613 IonicContact CD2-OD1 3.86Å; H581-D613 IonicContact CE1-OD1 3.74Å; H581-D613 IonicContact NE2-OD1 3.36Å; H581-D613 PolarHBondContact NE2-OD1 3.36Å; H581-D613 IonicContact NE2-OD2 3.24Å |
| 582 | A | 86.2 | Confident | 85.3 | Confident | 16 Ų | 16 | 33.1 Ų | 33.1 | 13% | 0.132 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.4 | -34.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G578 A579 L580 I612 Y616 | G578-A582 PolarHBondContact O-N 2.67Å; A579-A582 PolarHBondContact O-N 2.99Å; L580-A582 VanDerWaalsContact C-N 3.32Å; L580-A582 PolarHBondContact O-N 3.45Å; A582-I612 HydrophobicContact CB-CG2 3.88Å; A582-Y616 HydrophobicContact CB-CE2 4.13Å |
| 583 | C | 81.3 | Confident | 84.6 | Confident | 26 Ų | 26 | 35.6 Ų | 35.6 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -84.9 | -25.6 | -178.4 | -69.8 | 0 | 0 | 0 | 0 | 114.3 | I542 F549 A579 L580 H581 | I542-C583 HydrophobicContact CG2-CB 4.34Å; F549-C583 HydrophobicContact CE1-CB 4.2Å; F549-C583 HydrophobicContact CZ-CB 4.01Å; A579-C583 PolarHBondContact O-N 3.38Å; A579-C583 PolarHBondContact O-SG 3.5Å; A579-C583 VanDerWaalsContact O-SG 3.4Å; L580-C583 PolarHBondContact O-N 3.1Å; L580-C583 VanDerWaalsContact O-N 3.07Å; H581-C583 PolarHBondContact O-N 3.04Å |
| 584 | L | 81.7 | Confident | 84.2 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -122.2 | 2.3 | -170.7 | -52.3 | 170.9 | 0 | 0 | 0 | 114.2 | F549 H551 L580 H581 S586 T587 V588 I590 | F549-L584 HydrophobicContact CE2-CD1 4.16Å; F549-L584 HydrophobicContact CE2-CD2 4.42Å; F549-L584 HydrophobicContact CZ-CD1 4.31Å; F549-L584 HydrophobicContact CZ-CD2 4.07Å; F549-L584 HydrophobicContact CZ-CG 4.21Å; H551-L584 HydrophobicContact CB-CD1 3.45Å; H551-L584 VanDerWaalsContact CB-CD1 3.45Å; L580-L584 HydrophobicContact CD2-CD1 4.43Å; L580-L584 PolarHBondContact O-N 3.17Å; H581-L584 PolarHBondContact O-N 3.46Å; L584-S586 PolarHBondContact O-N 2.87Å; L584-T587 PolarHBondContact O-N 2.95Å; L584-T587 PolarHBondContact O-OG1 3.4Å; L584-V588 HydrophobicContact CB-CB 4.25Å; L584-V588 PolarHBondContact O-N 2.73Å; L584-I590 HydrophobicContact CB-CD1 4.03Å; L584-I590 HydrophobicContact CB-CG1 4.39Å; L584-I590 HydrophobicContact CD1-CD1 3.87Å; L584-I590 HydrophobicContact CG-CD1 4.39Å |
| 585 | H | 71.6 | Confident | 83.5 | Confident | 107 Ų | 107 | 38.2 Ų | 38.2 | 50% | 0.495 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -26.8 | -173.3 | 73.7 | 87.6 | 0 | 0 | 0 | 114.1 | H581 | H581-H585 VanDerWaalsContact O-CB 3.25Å; H581-H585 WeakPolarHBondContact O-CB 3.27Å; H581-H585 PolarHBondContact O-N 3.45Å |
| 586 | S | 65.3 | Low | 82.7 | Confident | 93 Ų | 93 | 37.8 Ų | 37.8 | 65% | 0.65 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -19.5 | 179 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | L584 | L584-S586 PolarHBondContact O-N 2.87Š|
| 587 | T | 64.4 | Low | 82.3 | Confident | 83 Ų | 83 | 39.7 Ų | 39.7 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -34.4 | -171.1 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | L584 | L584-T587 PolarHBondContact O-N 2.95Å; L584-T587 PolarHBondContact O-OG1 3.4Å |
| 588 | V | 72.4 | Confident | 81.8 | Confident | 34 Ų | 34 | 46.9 Ų | 46.9 | 21% | 0.206 | 26% | 0.26 | C | S | . | . | trans | -136.3 | 125.7 | -172.8 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | L584 I590 F593 | L584-V588 HydrophobicContact CB-CB 4.25Å; L584-V588 PolarHBondContact O-N 2.73Å; V588-I590 VanDerWaalsContact C-N 3.34Å; V588-I590 HydrophobicContact CG1-CG1 4.47Å; V588-I590 PolarHBondContact O-N 3.25Å; V588-F593 HydrophobicContact CG1-CE2 3.92Å | ||
| 589 | N | 78.8 | Confident | 81.4 | Confident | 104 Ų | 104 | 52.1 Ų | 52.1 | 56% | 0.556 | 29% | 0.294 | S | S | * | . | trans | -77.6 | 83.3 | 173.9 | -173.8 | -4.1 | 0 | 0 | 0 | 111.1 | R591 S592 | N589-R591 PolarHBondContact O-N 2.97Å; N589-R591 WeakPolarHBondContact OD1-CB 3.32Å; N589-R591 PolarHBondContact OD1-N 2.9Å; N589-S592 PolarHBondContact O-N 3.42Å; N589-S592 PolarHBondContact O-OG 2.82Å | ||
| 590 | I | 81.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -59.4 | -31.2 | -177.8 | -55.2 | -166.2 | 0 | 0 | 0 | 112.5 | L580 H581 L584 V588 S592 F593 F594 | L580-I590 HydrophobicContact CB-CD1 3.58Å; L580-I590 WeakPolarHBondContact O-CD1 3.42Å; H581-I590 HydrophobicContact CB-CD1 4.43Å; L584-I590 HydrophobicContact CB-CD1 4.03Å; L584-I590 HydrophobicContact CB-CG1 4.39Å; L584-I590 HydrophobicContact CD1-CD1 3.87Å; L584-I590 HydrophobicContact CG-CD1 4.39Å; V588-I590 VanDerWaalsContact C-N 3.34Å; V588-I590 HydrophobicContact CG1-CG1 4.47Å; V588-I590 PolarHBondContact O-N 3.25Å; I590-S592 PolarHBondContact O-N 3.49Å; I590-S592 VanDerWaalsContact O-N 3.11Å; I590-F593 PolarHBondContact O-N 2.58Å; I590-F594 HydrophobicContact CG2-CD2 4.19Å; I590-F594 HydrophobicContact CG2-CE2 3.47Å; I590-F594 VanDerWaalsContact CG2-CE2 3.47Å; I590-F594 HydrophobicContact CG2-CZ 4.25Å |
| 591 | R | 86.4 | Confident | 81.1 | Confident | 78 Ų | 78 | 56.4 Ų | 56.4 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -54 | -36.9 | -177.9 | -65 | 178.7 | 161.4 | 96.1 | -1.5 | 112.4 | H581 N589 F593 F594 E606 F609 D613 | H581-R591 PolarHBondContact CE1-NH1 3.43Å; H581-R591 VanDerWaalsContact CE1-NH1 3.29Å; N589-R591 PolarHBondContact O-N 2.97Å; N589-R591 WeakPolarHBondContact OD1-CB 3.32Å; N589-R591 PolarHBondContact OD1-N 2.9Å; R591-F593 PolarHBondContact O-N 3.06Å; R591-F594 PolarHBondContact O-N 2.9Å; R591-E606 IonicContact CZ-OE1 3.97Å; R591-E606 IonicContact NE-OE1 2.82Å; R591-E606 PolarHBondContact NE-OE1 3.34Å; R591-E606 VanDerWaalsContact NE-OE1 3.09Å; R591-E606 IonicContact NE-OE2 3.6Å; R591-E606 IonicContact NH2-OE1 2.78Å; R591-E606 PolarHBondContact NH2-OE1 3.3Å; R591-F609 HydrophobicContact CG-CD2 3.88Å; R591-F609 HydrophobicContact CG-CE2 4.11Å; R591-D613 IonicContact CZ-OD2 3.62Å; R591-D613 IonicContact NH1-OD2 2.89Å; R591-D613 PolarHBondContact NH1-OD2 3.38Å; R591-D613 IonicContact NH2-OD2 3.55Å; R591-D613 PolarHBondContact NH2-OD2 2.98Å |
| 592 | S | 81.6 | Confident | 81.1 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 47% | 0.469 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -62.2 | -27.3 | -179.8 | 66.8 | 0 | 0 | 0 | 0 | 114 | N589 I590 F594 S595 | N589-S592 PolarHBondContact O-N 3.42Å; N589-S592 PolarHBondContact O-OG 2.82Å; I590-S592 PolarHBondContact O-N 3.49Å; I590-S592 VanDerWaalsContact O-N 3.11Å; S592-F594 VanDerWaalsContact C-N 3.28Å; S592-F594 PolarHBondContact O-N 2.82Å; S592-S595 PolarHBondContact O-OG 2.78Å |
| 593 | F | 82.7 | Confident | 81.3 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 23% | 0.228 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -75.3 | -16.8 | -177.3 | -70.6 | -87.5 | 0 | 0 | 0 | 114 | L552 I555 K559 V588 I590 R591 | L552-F593 HydrophobicContact CD2-CE1 3.91Å; L552-F593 HydrophobicContact CD2-CZ 4.21Å; I555-F593 HydrophobicContact CD1-CB 4.43Å; I555-F593 HydrophobicContact CD1-CD1 3.99Å; I555-F593 HydrophobicContact CD1-CD2 3.85Å; I555-F593 HydrophobicContact CD1-CE1 4.14Å; I555-F593 HydrophobicContact CD1-CE2 3.99Å; I555-F593 HydrophobicContact CD1-CG 3.83Å; I555-F593 HydrophobicContact CD1-CZ 4.13Å; I555-F593 HydrophobicContact CG2-CB 4Å; I555-F593 HydrophobicContact CG2-CD1 4.19Å; I555-F593 HydrophobicContact CG2-CG 4.26Å; K559-F593 WeakPolarHBondContact CE-O 3.32Å; K559-F593 PolarHBondContact NZ-O 2.84Å; V588-F593 HydrophobicContact CG1-CE2 3.92Å; I590-F593 PolarHBondContact O-N 2.58Å; R591-F593 PolarHBondContact O-N 3.06Å |
| 594 | F | 88.6 | Confident | 81.9 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.009 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -111.4 | 4.8 | -175.8 | -54.6 | -55.9 | 0 | 0 | 0 | 113.5 | I555 V558 K559 L562 A577 I590 R591 S592 S596 E597 L602 L605 F609 | I555-F594 HydrophobicContact CG2-CE1 4.11Å; I555-F594 HydrophobicContact CG2-CZ 4.31Å; V558-F594 HydrophobicContact CB-CE1 4.02Å; V558-F594 HydrophobicContact CB-CZ 3.94Å; V558-F594 HydrophobicContact CG1-CD1 4.4Å; V558-F594 HydrophobicContact CG1-CE1 3.48Å; V558-F594 VanDerWaalsContact CG1-CE1 3.48Å; V558-F594 HydrophobicContact CG1-CE2 4.34Å; V558-F594 HydrophobicContact CG1-CZ 3.45Å; V558-F594 VanDerWaalsContact CG1-CZ 3.45Å; V558-F594 HydrophobicContact CG2-CZ 4.48Å; K559-F594 HydrophobicContact CG-CD1 4.31Å; K559-F594 HydrophobicContact CG-CE1 4.07Å; L562-F594 HydrophobicContact CD1-CD1 4.03Å; L562-F594 HydrophobicContact CD1-CE1 4.33Å; A577-F594 HydrophobicContact CB-CE2 4.16Å; A577-F594 HydrophobicContact CB-CZ 4.48Å; I590-F594 HydrophobicContact CG2-CD2 4.19Å; I590-F594 HydrophobicContact CG2-CE2 3.47Å; I590-F594 VanDerWaalsContact CG2-CE2 3.47Å; I590-F594 HydrophobicContact CG2-CZ 4.25Å; R591-F594 PolarHBondContact O-N 2.9Å; S592-F594 VanDerWaalsContact C-N 3.28Å; S592-F594 PolarHBondContact O-N 2.82Å; F594-S596 PolarHBondContact O-N 2.86Å; F594-S596 VanDerWaalsContact O-N 3.07Å; F594-E597 HydrophobicContact CB-CG 4.35Å; F594-E597 WeakPolarHBondContact O-CB 3.43Å; F594-E597 WeakPolarHBondContact O-CG 3.32Å; F594-E597 PolarHBondContact O-N 3.35Å; F594-L602 WeakPolarHBondContact O-CD2 3.35Å; F594-L605 HydrophobicContact CB-CD1 3.82Å; F594-L605 HydrophobicContact CD2-CD1 4.31Å; F594-L605 HydrophobicContact CG-CD1 4.07Å; F594-F609 HydrophobicContact CD2-CE2 4.49Å; F594-F609 HydrophobicContact CD2-CZ 4.09Å; F594-F609 HydrophobicContact CE2-CZ 4.22Å |
| 595 | S | 82.3 | Confident | 82.5 | Confident | 61 Ų | 61 | 69.2 Ų | 69.2 | 43% | 0.427 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21 | -174.6 | 58.6 | 0 | 0 | 0 | 0 | 115.1 | S592 | S592-S595 PolarHBondContact O-OG 2.78Š|
| 596 | S | 78.3 | Confident | 83.5 | Confident | 61 Ų | 61 | 68.3 Ų | 68.3 | 43% | 0.427 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -2.1 | 177.8 | 60.8 | 0 | 0 | 0 | 0 | 114 | F594 | F594-S596 PolarHBondContact O-N 2.86Å; F594-S596 VanDerWaalsContact O-N 3.07Å |
| 597 | E | 88 | Confident | 84.8 | Confident | 40 Ų | 40 | 66.8 Ų | 66.8 | 19% | 0.187 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -73.1 | 160 | -179 | -70 | -63 | 158.3 | 0 | 0 | 112.5 | L562 F594 I601 L602 | L562-E597 HydrophobicContact CD1-CG 4.16Å; F594-E597 HydrophobicContact CB-CG 4.35Å; F594-E597 WeakPolarHBondContact O-CB 3.43Å; F594-E597 WeakPolarHBondContact O-CG 3.32Å; F594-E597 PolarHBondContact O-N 3.35Å; E597-I601 HydrophobicContact CB-CG2 4.33Å; E597-L602 HydrophobicContact CB-CD2 4.29Å; E597-L602 HydrophobicContact CB-CG 4.1Å; E597-L602 WeakPolarHBondContact O-CD1 3.39Å |
| 598 | K | 84.2 | Confident | 86.1 | Confident | 152 Ų | 152 | 65.2 Ų | 65.2 | 66% | 0.661 | 35% | 0.354 | S | S | * | . | trans | -60 | 144 | -179.4 | -66.6 | -178.6 | -178.6 | 178.4 | 0 | 111 | A600 I601 L602 | K598-A600 VanDerWaalsContact C-N 3.26Å; K598-A600 PolarHBondContact O-N 2.89Å; K598-I601 WeakPolarHBondContact O-CA 3.45Å; K598-I601 WeakPolarHBondContact O-CB 3.44Å; K598-I601 PolarHBondContact O-N 2.82Å; K598-L602 PolarHBondContact O-N 2.82Å | ||
| 599 | P | 83.6 | Confident | 87.2 | Confident | 109 Ų | 109 | 63.8 Ų | 63.8 | 71% | 0.708 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -51.4 | -38.9 | -175.5 | -29.5 | 34 | 0 | 0 | 0 | 114.9 | I601 L602 Q603 | P599-I601 VanDerWaalsContact C-N 3.34Å; P599-I601 PolarHBondContact O-N 3.4Å; P599-L602 PolarHBondContact O-N 3.16Å; P599-Q603 WeakPolarHBondContact O-CB 3.33Å; P599-Q603 PolarHBondContact O-N 2.81Å |
| 600 | A | 85.1 | Confident | 87.6 | Confident | 68 Ų | 68 | 60.8 Ų | 60.8 | 56% | 0.562 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68.3 | -29.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K598 | K598-A600 VanDerWaalsContact C-N 3.26Å; K598-A600 PolarHBondContact O-N 2.89Å |
| 601 | I | 89 | Confident | 87.9 | Confident | 23 Ų | 23 | 64.2 Ų | 64.2 | 12% | 0.118 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -78.5 | -45.2 | 175.1 | -64.6 | 177.6 | 0 | 0 | 0 | 109.2 | L562 E597 K598 P599 Q603 R604 L605 | L562-I601 HydrophobicContact CD1-CG2 4.35Å; L562-I601 HydrophobicContact CD2-CG2 3.78Å; L562-I601 HydrophobicContact CG-CG2 4.45Å; E597-I601 HydrophobicContact CB-CG2 4.33Å; K598-I601 WeakPolarHBondContact O-CA 3.45Å; K598-I601 WeakPolarHBondContact O-CB 3.44Å; K598-I601 PolarHBondContact O-N 2.82Å; P599-I601 VanDerWaalsContact C-N 3.34Å; P599-I601 PolarHBondContact O-N 3.4Å; I601-Q603 VanDerWaalsContact C-N 3.29Å; I601-Q603 PolarHBondContact O-N 3.32Å; I601-R604 PolarHBondContact O-N 3.23Å; I601-L605 HydrophobicContact CG2-CD1 4.11Å; I601-L605 HydrophobicContact CG2-CG 4.47Å; I601-L605 PolarHBondContact O-N 3.18Å |
| 602 | L | 89.8 | Confident | 87.9 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 30% | 0.298 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -53.4 | -45.3 | 174.4 | -80.5 | 175.6 | 0 | 0 | 0 | 112.1 | F594 E597 K598 P599 R604 L605 E606 | F594-L602 WeakPolarHBondContact O-CD2 3.35Å; E597-L602 HydrophobicContact CB-CD2 4.29Å; E597-L602 HydrophobicContact CB-CG 4.1Å; E597-L602 WeakPolarHBondContact O-CD1 3.39Å; K598-L602 PolarHBondContact O-N 2.82Å; P599-L602 PolarHBondContact O-N 3.16Å; L602-R604 VanDerWaalsContact C-N 3.28Å; L602-R604 PolarHBondContact O-N 3.41Å; L602-L605 PolarHBondContact O-N 3.43Å; L602-E606 WeakPolarHBondContact O-CB 3.48Å; L602-E606 PolarHBondContact O-N 3.24Å |
| 603 | Q | 91.2 | Very high | 87.9 | Confident | 147 Ų | 147 | 60 Ų | 60 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.5 | -38.1 | 177.2 | -171.7 | -178.3 | 18.9 | 0 | 0 | 112.7 | P599 I601 A607 | P599-Q603 WeakPolarHBondContact O-CB 3.33Å; P599-Q603 PolarHBondContact O-N 2.81Å; I601-Q603 VanDerWaalsContact C-N 3.29Å; I601-Q603 PolarHBondContact O-N 3.32Å; Q603-A607 WeakPolarHBondContact O-CB 3.49Å; Q603-A607 PolarHBondContact O-N 2.7Å |
| 604 | R | 93.7 | Very high | 87.8 | Confident | 114 Ų | 114 | 64 Ų | 64 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -74.6 | -36.3 | 178 | -67.9 | 179.7 | 66.4 | -171.8 | -1.3 | 112.4 | S571 I574 I601 L602 E608 | S571-R604 PolarHBondContact OG-NH2 3.24Å; I574-R604 HydrophobicContact CD1-CB 3.75Å; I601-R604 PolarHBondContact O-N 3.23Å; L602-R604 VanDerWaalsContact C-N 3.28Å; L602-R604 PolarHBondContact O-N 3.41Å; R604-E608 PolarHBondContact O-N 2.63Å |
| 605 | L | 94.8 | Very high | 87.1 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 173 | -76.3 | 169.2 | 0 | 0 | 0 | 110.6 | L562 I574 A577 F594 I601 L602 A607 E608 F609 | L562-L605 HydrophobicContact CD1-CD1 3.96Å; I574-L605 HydrophobicContact CB-CD2 4.38Å; I574-L605 HydrophobicContact CG1-CD2 4Å; I574-L605 HydrophobicContact CG1-CG 4.33Å; I574-L605 HydrophobicContact CG2-CD2 4.35Å; A577-L605 HydrophobicContact CB-CD2 3.59Å; F594-L605 HydrophobicContact CB-CD1 3.82Å; F594-L605 HydrophobicContact CD2-CD1 4.31Å; F594-L605 HydrophobicContact CG-CD1 4.07Å; I601-L605 HydrophobicContact CG2-CD1 4.11Å; I601-L605 HydrophobicContact CG2-CG 4.47Å; I601-L605 PolarHBondContact O-N 3.18Å; L602-L605 PolarHBondContact O-N 3.43Å; L605-A607 VanDerWaalsContact C-N 3.33Å; L605-A607 PolarHBondContact O-N 3.48Å; L605-E608 WeakPolarHBondContact O-CB 3.31Å; L605-E608 PolarHBondContact O-N 3.41Å; L605-E608 VanDerWaalsContact O-N 3.11Å; L605-F609 HydrophobicContact CB-CD2 4.49Å; L605-F609 HydrophobicContact CB-CE2 3.96Å; L605-F609 HydrophobicContact CB-CZ 4.28Å; L605-F609 HydrophobicContact CD2-CZ 4.06Å; L605-F609 VanDerWaalsContact O-CD2 3.27Å; L605-F609 WeakPolarHBondContact O-CD2 3.38Å; L605-F609 WeakPolarHBondContact O-CG 3.35Å; L605-F609 PolarHBondContact O-N 2.83Å |
| 606 | E | 92.3 | Very high | 86.3 | Confident | 88 Ų | 88 | 76 Ų | 76 | 41% | 0.411 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 179.4 | -161.5 | 59.7 | -136.7 | 0 | 0 | 111.7 | R591 L602 E608 F609 A610 | R591-E606 IonicContact CZ-OE1 3.97Å; R591-E606 IonicContact NE-OE1 2.82Å; R591-E606 PolarHBondContact NE-OE1 3.34Å; R591-E606 VanDerWaalsContact NE-OE1 3.09Å; R591-E606 IonicContact NE-OE2 3.6Å; R591-E606 IonicContact NH2-OE1 2.78Å; R591-E606 PolarHBondContact NH2-OE1 3.3Å; L602-E606 WeakPolarHBondContact O-CB 3.48Å; L602-E606 PolarHBondContact O-N 3.24Å; E606-E608 VanDerWaalsContact C-N 3.32Å; E606-E608 PolarHBondContact O-N 3.36Å; E606-F609 PolarHBondContact O-N 2.79Å; E606-A610 WeakPolarHBondContact O-CB 3.45Å; E606-A610 PolarHBondContact O-N 2.98Å |
| 607 | A | 91.7 | Very high | 84.5 | Confident | 61 Ų | 61 | 77.2 Ų | 77.2 | 50% | 0.504 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q603 L605 N611 | Q603-A607 WeakPolarHBondContact O-CB 3.49Å; Q603-A607 PolarHBondContact O-N 2.7Å; L605-A607 VanDerWaalsContact C-N 3.33Å; L605-A607 PolarHBondContact O-N 3.48Å; A607-N611 VanDerWaalsContact O-CB 3.24Å; A607-N611 WeakPolarHBondContact O-CB 3.43Å; A607-N611 PolarHBondContact O-N 3.26Å |
| 608 | E | 93 | Very high | 81.8 | Confident | 50 Ų | 50 | 80.9 Ų | 80.9 | 23% | 0.234 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68 | -44.5 | 176.2 | -168.7 | 68.3 | -165.7 | 0 | 0 | 111.3 | I574 R604 L605 E606 N611 I612 | I574-E608 HydrophobicContact CG2-CB 3.79Å; I574-E608 HydrophobicContact CG2-CG 3.97Å; R604-E608 PolarHBondContact O-N 2.63Å; L605-E608 WeakPolarHBondContact O-CB 3.31Å; L605-E608 PolarHBondContact O-N 3.41Å; L605-E608 VanDerWaalsContact O-N 3.11Å; E606-E608 VanDerWaalsContact C-N 3.32Å; E606-E608 PolarHBondContact O-N 3.36Å; E608-N611 PolarHBondContact O-N 2.71Å; E608-I612 HydrophobicContact CG-CD1 4.44Å; E608-I612 VanDerWaalsContact O-CG1 3.28Å; E608-I612 WeakPolarHBondContact O-CG1 3.5Å; E608-I612 PolarHBondContact O-N 3.45Å; E608-I612 VanDerWaalsContact O-N 3.14Å |
| 609 | F | 93.8 | Very high | 79.4 | Confident | 4 Ų | 4 | 78.7 Ų | 78.7 | 2% | 0.018 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 177.2 | -58.7 | -31.9 | 0 | 0 | 0 | 112 | A577 H581 R591 F594 L605 E606 N611 I612 D613 | A577-F609 HydrophobicContact CB-CE1 4.01Å; A577-F609 HydrophobicContact CB-CZ 4.14Å; H581-F609 HydrophobicContact CB-CD1 3.61Å; H581-F609 HydrophobicContact CB-CE1 3.78Å; H581-F609 AromaticContact CG-CD1 3.71Å; R591-F609 HydrophobicContact CG-CD2 3.88Å; R591-F609 HydrophobicContact CG-CE2 4.11Å; F594-F609 HydrophobicContact CD2-CE2 4.49Å; F594-F609 HydrophobicContact CD2-CZ 4.09Å; F594-F609 HydrophobicContact CE2-CZ 4.22Å; L605-F609 HydrophobicContact CB-CD2 4.49Å; L605-F609 HydrophobicContact CB-CE2 3.96Å; L605-F609 HydrophobicContact CB-CZ 4.28Å; L605-F609 HydrophobicContact CD2-CZ 4.06Å; L605-F609 VanDerWaalsContact O-CD2 3.27Å; L605-F609 WeakPolarHBondContact O-CD2 3.38Å; L605-F609 WeakPolarHBondContact O-CG 3.35Å; L605-F609 PolarHBondContact O-N 2.83Å; E606-F609 PolarHBondContact O-N 2.79Å; F609-N611 PolarHBondContact O-N 3.13Å; F609-I612 PolarHBondContact O-N 2.98Å; F609-D613 VanDerWaalsContact O-CG 3.29Å; F609-D613 PolarHBondContact O-N 2.96Å |
| 610 | A | 88.5 | Confident | 76.7 | Confident | 40 Ų | 40 | 82.5 Ų | 82.5 | 33% | 0.331 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E606 I612 D613 E614 | E606-A610 WeakPolarHBondContact O-CB 3.45Å; E606-A610 PolarHBondContact O-N 2.98Å; A610-I612 VanDerWaalsContact C-N 3.26Å; A610-I612 PolarHBondContact O-N 2.99Å; A610-D613 PolarHBondContact O-N 3.36Å; A610-E614 WeakPolarHBondContact O-CB 3.42Å; A610-E614 WeakPolarHBondContact O-CG 3.32Å; A610-E614 PolarHBondContact O-N 2.99Å |
| 611 | N | 88 | Confident | 73.9 | Confident | 72 Ų | 72 | 83.7 Ų | 83.7 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61 | -36.5 | 174.8 | -179.7 | 14.3 | 0 | 0 | 0 | 112 | A607 E608 F609 K615 | A607-N611 VanDerWaalsContact O-CB 3.24Å; A607-N611 WeakPolarHBondContact O-CB 3.43Å; A607-N611 PolarHBondContact O-N 3.26Å; E608-N611 PolarHBondContact O-N 2.71Å; F609-N611 PolarHBondContact O-N 3.13Å; N611-K615 PolarHBondContact O-N 3.46Å; N611-K615 VanDerWaalsContact O-N 3.15Å |
| 612 | I | 85.2 | Confident | 70.9 | Confident | 9 Ų | 9 | 90 Ų | 90 | 5% | 0.046 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -71.7 | -45.1 | 175.9 | -69.7 | 175.5 | 0 | 0 | 0 | 110.7 | G578 A582 E608 F609 A610 E614 K615 Y616 | G578-I612 WeakPolarHBondContact O-CD1 3.45Å; A582-I612 HydrophobicContact CB-CG2 3.88Å; E608-I612 HydrophobicContact CG-CD1 4.44Å; E608-I612 VanDerWaalsContact O-CG1 3.28Å; E608-I612 WeakPolarHBondContact O-CG1 3.5Å; E608-I612 PolarHBondContact O-N 3.45Å; E608-I612 VanDerWaalsContact O-N 3.14Å; F609-I612 PolarHBondContact O-N 2.98Å; A610-I612 VanDerWaalsContact C-N 3.26Å; A610-I612 PolarHBondContact O-N 2.99Å; I612-E614 VanDerWaalsContact C-N 3.34Å; I612-E614 PolarHBondContact O-N 3.09Å; I612-K615 WeakPolarHBondContact O-CB 3.37Å; I612-K615 PolarHBondContact O-N 3.28Å; I612-Y616 HydrophobicContact CG2-CD2 3.84Å; I612-Y616 HydrophobicContact CG2-CE2 3.68Å; I612-Y616 WeakPolarHBondContact O-CD2 3.16Å; I612-Y616 PolarHBondContact O-N 3.48Å |
| 613 | D | 82.9 | Confident | 67.9 | Low | 48 Ų | 48 | 94.3 Ų | 94.3 | 26% | 0.257 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 176.3 | -69 | -16.9 | 0 | 0 | 0 | 110.6 | H581 R591 F609 A610 K615 Y616 S617 | H581-D613 IonicContact CD2-OD1 3.86Å; H581-D613 IonicContact CE1-OD1 3.74Å; H581-D613 IonicContact NE2-OD1 3.36Å; H581-D613 PolarHBondContact NE2-OD1 3.36Å; H581-D613 IonicContact NE2-OD2 3.24Å; R591-D613 IonicContact CZ-OD2 3.62Å; R591-D613 IonicContact NH1-OD2 2.89Å; R591-D613 PolarHBondContact NH1-OD2 3.38Å; R591-D613 IonicContact NH2-OD2 3.55Å; R591-D613 PolarHBondContact NH2-OD2 2.98Å; F609-D613 VanDerWaalsContact O-CG 3.29Å; F609-D613 PolarHBondContact O-N 2.96Å; A610-D613 PolarHBondContact O-N 3.36Å; D613-K615 PolarHBondContact O-N 2.91Å; D613-Y616 CarbonylContact O-C 3.58Å; D613-Y616 PolarHBondContact O-N 2.8Å; D613-Y616 VanDerWaalsContact O-N 3.14Å; D613-S617 WeakPolarHBondContact O-CB 2.86Å; D613-S617 PolarHBondContact O-N 3.02Å; D613-S617 PolarHBondContact O-OG 3.16Å |
| 614 | E | 79 | Confident | 64.7 | Low | 135 Ų | 135 | 96.7 Ų | 96.7 | 63% | 0.631 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.1 | -45.4 | 174.6 | -80.1 | -176.6 | -177 | 0 | 0 | 112.4 | A610 I612 Y616 S617 | A610-E614 WeakPolarHBondContact O-CB 3.42Å; A610-E614 WeakPolarHBondContact O-CG 3.32Å; A610-E614 PolarHBondContact O-N 2.99Å; I612-E614 VanDerWaalsContact C-N 3.34Å; I612-E614 PolarHBondContact O-N 3.09Å; E614-Y616 PolarHBondContact O-N 3.38Å; E614-S617 PolarHBondContact O-N 3.41Å |
| 615 | K | 73.8 | Confident | 61.4 | Low | 163 Ų | 163 | 97.8 Ų | 97.8 | 71% | 0.709 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.7 | -29.4 | 177.2 | -92.2 | -178.1 | 179 | 174.7 | 0 | 113.4 | N611 I612 D613 | N611-K615 PolarHBondContact O-N 3.46Å; N611-K615 VanDerWaalsContact O-N 3.15Å; I612-K615 WeakPolarHBondContact O-CB 3.37Å; I612-K615 PolarHBondContact O-N 3.28Å; D613-K615 PolarHBondContact O-N 2.91Å |
| 616 | Y | 65.9 | Low | 58.1 | Low | 154 Ų | 154 | 105.6 Ų | 105.6 | 60% | 0.604 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -99.6 | -4.6 | 178 | -63.5 | -65 | 0 | 0 | 0 | 113.5 | A582 I612 D613 E614 | A582-Y616 HydrophobicContact CB-CE2 4.13Å; I612-Y616 HydrophobicContact CG2-CD2 3.84Å; I612-Y616 HydrophobicContact CG2-CE2 3.68Å; I612-Y616 WeakPolarHBondContact O-CD2 3.16Å; I612-Y616 PolarHBondContact O-N 3.48Å; D613-Y616 CarbonylContact O-C 3.58Å; D613-Y616 PolarHBondContact O-N 2.8Å; D613-Y616 VanDerWaalsContact O-N 3.14Å; E614-Y616 PolarHBondContact O-N 3.38Å |
| 617 | S | 40.3 | Very low | 54.9 | Low | 85 Ų | 85 | 109 Ų | 109 | 59% | 0.594 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -109.3 | 3 | -172.7 | -59.6 | 0 | 0 | 0 | 0 | 116.1 | D613 E614 P619 | D613-S617 WeakPolarHBondContact O-CB 2.86Å; D613-S617 PolarHBondContact O-N 3.02Å; D613-S617 PolarHBondContact O-OG 3.16Å; E614-S617 PolarHBondContact O-N 3.41Å; S617-P619 WeakPolarHBondContact O-CD 3.26Å |
| 618 | V | 32.6 | Very low | 51.7 | Low | 117 Ų | 117 | 110.8 Ų | 110.8 | 71% | 0.709 | 60% | 0.6 | S | S | * | * | trans | -89.3 | 117.5 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 619 | P | 33.5 | Very low | 48.5 | Very low | 107 Ų | 107 | 114.6 Ų | 114.6 | 70% | 0.695 | 63% | 0.627 | S | S | * | * | trans | -75.1 | 142.3 | 170.3 | -7.4 | 25.7 | 0 | 0 | 0 | 111 | S617 S621 | S617-P619 WeakPolarHBondContact O-CD 3.26Å; P619-S621 PolarHBondContact O-N 2.64Å; P619-S621 VanDerWaalsContact O-N 3.1Å | ||
| 620 | L | 26.9 | Very low | 45.3 | Very low | 189 Ų | 189 | 124.2 Ų | 124.2 | 99% | 0.99 | 67% | 0.669 | S | S | * | * | trans | -47.4 | 108.4 | -179.5 | -69.6 | 156 | 0 | 0 | 0 | 113.5 | ||||
| 621 | S | 26.3 | Very low | 42.3 | Very low | 93 Ų | 93 | 128.3 Ų | 128.3 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | trans | -127 | 129.8 | 166.6 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | P619 | P619-S621 PolarHBondContact O-N 2.64Å; P619-S621 VanDerWaalsContact O-N 3.1Å | ||
| 622 | D | 26.7 | Very low | 39.5 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | trans | 67.5 | 75.6 | 156.4 | -59.1 | -19.6 | 0 | 0 | 0 | 120 | ||||
| 623 | T | 26.1 | Very low | 36.7 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | trans | -118.7 | 104 | 144.4 | 33.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 624 | K | 23.1 | Very low | 34 | Very low | 196 Ų | 196 | 140 Ų | 140 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | trans | -50.2 | 143.2 | 171.5 | -74.9 | 174.3 | 173.4 | 174 | 0 | 112.1 | ||||
| 625 | N | 24.8 | Very low | 31.6 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | 60.3 | 93.6 | 157.9 | -74.4 | -5.7 | 0 | 0 | 0 | 116.6 | ||||
| 626 | N | 26.2 | Very low | 29.4 | Very low | 167 Ų | 167 | 140 Ų | 140 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | -167.4 | 95.6 | 117.6 | -84.7 | -22.6 | 0 | 0 | 0 | 109.1 | |||||
| 627 | N | 24.3 | Very low | 27.6 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -51.7 | 144.7 | 161.1 | -65.6 | -23.9 | 0 | 0 | 0 | 108.4 | ||||
| 628 | S | 25.1 | Very low | 27.2 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | cis | -170.1 | 129.7 | 22.8 | 43.8 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 629 | T | 25.8 | Very low | 27.3 | Very low | 129 Ų | 129 | 139 Ų | 139 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | S | Bend | 177.3 | 81.3 | 87.3 | 34.6 | 0 | 0 | 0 | 0 | 107.3 | |||
| 630 | F | 26.5 | Very low | 27.7 | Very low | 206 Ų | 206 | 137 Ų | 137 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -164.3 | 44 | 166.2 | -144.8 | -102.1 | 0 | 0 | 0 | 113.6 | ||
| 631 | S | 24.8 | Very low | 28.1 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 89% | 0.888 | 75% | 0.745 | S | S | * | * | trans | -142.1 | 48 | 171.6 | -160.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 632 | G | 29 | Very low | 28.6 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -120.8 | -1.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 633 | L | 27.3 | Very low | 29.2 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -128 | 24.1 | -169.5 | -91.1 | 166.9 | 0 | 0 | 0 | 114.7 | ||
| 634 | L | 26.2 | Very low | 29.8 | Very low | 144 Ų | 144 | 126.2 Ų | 126.2 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -117.8 | 8.7 | 178.2 | -98.4 | 162.1 | 0 | 0 | 0 | 115.5 | ||
| 635 | Q | 29.5 | Very low | 30.3 | Very low | 195 Ų | 195 | 127.2 Ų | 127.2 | 91% | 0.911 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -117.9 | 15.5 | 174.9 | -85 | -173.2 | -4.6 | 0 | 0 | 115.8 | ||
| 636 | T | 27.1 | Very low | 30.8 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 64% | 0.644 | 70% | 0.696 | S | S | * | * | trans | -134.7 | 53.9 | 171.3 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | T638 | T636-T638 PolarHBondContact O-N 3.21Š| ||
| 637 | L | 26.9 | Very low | 31.6 | Very low | 140 Ų | 140 | 119.3 Ų | 119.3 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | trans | -72.4 | 78.1 | 158.3 | -81.7 | 157.3 | 0 | 0 | 0 | 108.3 | A641 | L637-A641 HydrophobicContact CD2-CB 3.67Š| ||
| 638 | T | 33.4 | Very low | 32.1 | Very low | 86 Ų | 86 | 120.7 Ų | 120.7 | 53% | 0.528 | 67% | 0.668 | S | S | . | * | trans | -70.5 | 155.5 | 169.9 | 50.6 | 0 | 0 | 0 | 0 | 110 | T636 A640 A641 | T636-T638 PolarHBondContact O-N 3.21Å; T638-A640 PolarHBondContact O-N 3.34Å; T638-A641 PolarHBondContact O-N 3.03Å | ||
| 639 | P | 34.9 | Very low | 32.4 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -15.5 | -175.2 | -28.2 | 35.1 | 0 | 0 | 0 | 116.1 | A641 I642 E643 | P639-A641 PolarHBondContact O-N 3.02Å; P639-I642 PolarHBondContact O-N 2.87Å; P639-E643 PolarHBondContact O-N 3.13Å |
| 640 | A | 41.2 | Very low | 33 | Very low | 64 Ų | 64 | 126 Ų | 126 | 53% | 0.529 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -60.5 | -27.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T638 E643 A644 | T638-A640 PolarHBondContact O-N 3.34Å; A640-E643 PolarHBondContact O-N 3.02Å; A640-A644 PolarHBondContact O-N 2.88Å |
| 641 | A | 34.2 | Very low | 33.4 | Very low | 35 Ų | 35 | 124.8 Ų | 124.8 | 29% | 0.289 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -72 | -29.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L637 T638 P639 A644 W645 | L637-A641 HydrophobicContact CD2-CB 3.67Å; T638-A641 PolarHBondContact O-N 3.03Å; P639-A641 PolarHBondContact O-N 3.02Å; A641-A644 PolarHBondContact O-N 3.23Å; A641-W645 PolarHBondContact O-N 2.89Å |
| 642 | I | 37.4 | Very low | 33.6 | Very low | 137 Ų | 137 | 124.7 Ų | 124.7 | 70% | 0.703 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.1 | -36.9 | 174.3 | -62.9 | 175.3 | 0 | 0 | 0 | 109.6 | P639 A644 W645 S646 | P639-I642 PolarHBondContact O-N 2.87Å; I642-A644 PolarHBondContact O-N 2.9Å; I642-W645 PolarHBondContact O-N 3.07Å; I642-S646 PolarHBondContact O-N 3.42Å |
| 643 | E | 38.8 | Very low | 33.8 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.1 | -36.7 | 175.1 | -144.6 | 172.3 | -165.5 | 0 | 0 | 111.9 | P639 A640 W645 S646 I647 | P639-E643 PolarHBondContact O-N 3.13Å; A640-E643 PolarHBondContact O-N 3.02Å; E643-W645 VanDerWaalsContact C-N 3.32Å; E643-W645 PolarHBondContact O-N 3.17Å; E643-S646 PolarHBondContact O-N 3.33Å; E643-S646 PolarHBondContact O-OG 3.28Å; E643-I647 WeakPolarHBondContact O-CG1 3.23Å; E643-I647 PolarHBondContact O-N 2.91Å; E643-I647 VanDerWaalsContact O-N 3.15Å |
| 644 | A | 38.7 | Very low | 34.2 | Very low | 54 Ų | 54 | 121.4 Ų | 121.4 | 45% | 0.446 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.9 | -30.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A640 A641 I642 I647 R648 | A640-A644 PolarHBondContact O-N 2.88Å; A641-A644 PolarHBondContact O-N 3.23Å; I642-A644 PolarHBondContact O-N 2.9Å; A644-I647 PolarHBondContact O-N 3.12Å; A644-R648 PolarHBondContact O-N 3.34Å |
| 645 | W | 33.7 | Very low | 34.5 | Very low | 217 Ų | 217 | 120.6 Ų | 120.6 | 82% | 0.822 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.6 | -40.8 | 173.2 | -90.9 | 59.2 | 0 | 0 | 0 | 111.8 | A641 I642 E643 I647 R648 E649 | A641-W645 PolarHBondContact O-N 2.89Å; I642-W645 PolarHBondContact O-N 3.07Å; E643-W645 VanDerWaalsContact C-N 3.32Å; E643-W645 PolarHBondContact O-N 3.17Å; W645-I647 VanDerWaalsContact C-N 3.28Å; W645-I647 PolarHBondContact O-N 3.32Å; W645-R648 PolarHBondContact O-N 2.89Å; W645-R648 VanDerWaalsContact O-N 3.17Å; W645-E649 PolarHBondContact O-N 3.12Å |
| 646 | S | 36.7 | Very low | 34.7 | Very low | 51 Ų | 51 | 118.3 Ų | 118.3 | 36% | 0.357 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.4 | -29.3 | 175.4 | 78.8 | 0 | 0 | 0 | 0 | 113.4 | I642 E643 R650 | I642-S646 PolarHBondContact O-N 3.42Å; E643-S646 PolarHBondContact O-N 3.33Å; E643-S646 PolarHBondContact O-OG 3.28Å; S646-R650 PolarHBondContact O-N 2.99Å |
| 647 | I | 42.5 | Very low | 35 | Very low | 87 Ų | 87 | 116.6 Ų | 116.6 | 45% | 0.446 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -72.2 | -31.8 | 175.9 | -66.4 | 167.9 | 0 | 0 | 0 | 111.4 | E643 A644 W645 R651 | E643-I647 WeakPolarHBondContact O-CG1 3.23Å; E643-I647 PolarHBondContact O-N 2.91Å; E643-I647 VanDerWaalsContact O-N 3.15Å; A644-I647 PolarHBondContact O-N 3.12Å; W645-I647 VanDerWaalsContact C-N 3.28Å; W645-I647 PolarHBondContact O-N 3.32Å; I647-R651 WeakPolarHBondContact O-CB 3.36Å; I647-R651 PolarHBondContact O-N 2.88Å |
| 648 | R | 33.9 | Very low | 35.2 | Very low | 189 Ų | 189 | 114 Ų | 114 | 71% | 0.713 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.1 | -36.3 | 179.1 | -167.7 | 173.6 | -176.7 | -178.5 | -0.5 | 112.1 | A644 W645 R651 M652 | A644-R648 PolarHBondContact O-N 3.34Å; W645-R648 PolarHBondContact O-N 2.89Å; W645-R648 VanDerWaalsContact O-N 3.17Å; R648-R651 PolarHBondContact O-N 3.36Å; R648-M652 PolarHBondContact O-N 3.49Å |
| 649 | E | 31.5 | Very low | 35 | Very low | 148 Ų | 148 | 116.4 Ų | 116.4 | 69% | 0.692 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72 | -43 | 177.8 | -153.8 | 162.8 | -156.1 | 0 | 0 | 111.3 | W645 R651 M652 T653 | W645-E649 PolarHBondContact O-N 3.12Å; E649-R651 VanDerWaalsContact C-N 3.27Å; E649-R651 PolarHBondContact O-N 2.75Å; E649-M652 PolarHBondContact O-N 2.9Å; E649-M652 VanDerWaalsContact O-N 3.09Å; E649-T653 PolarHBondContact O-N 3.46Å; E649-T653 PolarHBondContact O-OG1 3.04Å |
| 650 | R | 38.9 | Very low | 34.6 | Very low | 191 Ų | 191 | 115.4 Ų | 115.4 | 72% | 0.721 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.3 | -31.9 | 171.3 | -73.8 | -170.2 | -158.4 | 157.2 | 9 | 113.3 | S646 M652 T653 A654 | S646-R650 PolarHBondContact O-N 2.99Å; R650-M652 VanDerWaalsContact C-N 3.34Å; R650-T653 PolarHBondContact O-N 3.35Å; R650-A654 VanDerWaalsContact O-CB 3.29Å; R650-A654 WeakPolarHBondContact O-CB 3.47Å; R650-A654 PolarHBondContact O-N 3.49Å |
| 651 | R | 35.2 | Very low | 34.1 | Very low | 180 Ų | 180 | 118.3 Ų | 118.3 | 68% | 0.679 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.5 | -29.7 | 174.7 | -88.1 | -176.8 | 165.3 | 166.6 | -2.5 | 113 | I647 R648 E649 L655 | I647-R651 WeakPolarHBondContact O-CB 3.36Å; I647-R651 PolarHBondContact O-N 2.88Å; R648-R651 PolarHBondContact O-N 3.36Å; E649-R651 VanDerWaalsContact C-N 3.27Å; E649-R651 PolarHBondContact O-N 2.75Å; R651-L655 PolarHBondContact O-N 3.29Å; R651-L655 VanDerWaalsContact O-N 3.1Å |
| 652 | M | 29.2 | Very low | 33.8 | Very low | 125 Ų | 125 | 122 Ų | 122 | 62% | 0.616 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.8 | -36.9 | 175.6 | -131.9 | -177.8 | -70.9 | 0 | 0 | 111.4 | R648 E649 R650 L655 | R648-M652 PolarHBondContact O-N 3.49Å; E649-M652 PolarHBondContact O-N 2.9Å; E649-M652 VanDerWaalsContact O-N 3.09Å; R650-M652 VanDerWaalsContact C-N 3.34Å; M652-L655 PolarHBondContact O-N 3.06Å |
| 653 | T | 33.3 | Very low | 33.4 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 61% | 0.613 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -72.2 | -35.4 | 173.9 | -33.6 | 0 | 0 | 0 | 0 | 112.4 | E649 R650 I656 G657 | E649-T653 PolarHBondContact O-N 3.46Å; E649-T653 PolarHBondContact O-OG1 3.04Å; R650-T653 PolarHBondContact O-N 3.35Å; T653-I656 PolarHBondContact O-N 3.02Å; T653-G657 PolarHBondContact O-N 3.12Å |
| 654 | A | 35.1 | Very low | 32.8 | Very low | 59 Ų | 59 | 128.6 Ų | 128.6 | 49% | 0.488 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -68.4 | -31.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | R650 I656 G657 S658 | R650-A654 VanDerWaalsContact O-CB 3.29Å; R650-A654 WeakPolarHBondContact O-CB 3.47Å; R650-A654 PolarHBondContact O-N 3.49Å; A654-I656 VanDerWaalsContact C-N 3.29Å; A654-I656 PolarHBondContact O-N 3.05Å; A654-G657 PolarHBondContact O-N 3.38Å; A654-S658 WeakPolarHBondContact O-CB 3.44Å; A654-S658 PolarHBondContact O-N 2.94Å; A654-S658 PolarHBondContact O-OG 3.47Å |
| 655 | L | 31.8 | Very low | 32 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 67% | 0.665 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -69.5 | -26.6 | 176.8 | -123.5 | 106.1 | 0 | 0 | 0 | 113 | R651 M652 | R651-L655 PolarHBondContact O-N 3.29Å; R651-L655 VanDerWaalsContact O-N 3.1Å; M652-L655 PolarHBondContact O-N 3.06Å |
| 656 | I | 33.6 | Very low | 31.5 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -81.3 | -28.5 | 175.1 | -61.3 | 173.6 | 0 | 0 | 0 | 110.5 | T653 A654 | T653-I656 PolarHBondContact O-N 3.02Å; A654-I656 VanDerWaalsContact C-N 3.29Å; A654-I656 PolarHBondContact O-N 3.05Å |
| 657 | G | 33.9 | Very low | 31 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -81.5 | -11.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | T653 A654 | T653-G657 PolarHBondContact O-N 3.12Å; A654-G657 PolarHBondContact O-N 3.38Å |
| 658 | S | 31.7 | Very low | 30 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 59% | 0.587 | 72% | 0.721 | S | S | * | * | trans | -111.5 | 16.1 | -169.3 | 74.1 | 0 | 0 | 0 | 0 | 116.1 | A654 | A654-S658 WeakPolarHBondContact O-CB 3.44Å; A654-S658 PolarHBondContact O-N 2.94Å; A654-S658 PolarHBondContact O-OG 3.47Å | ||
| 659 | I | 27.8 | Very low | 29.5 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -99 | 94.9 | 166.5 | -58.9 | 178.4 | 0 | 0 | 0 | 107.7 | ||
| 660 | S | 27.1 | Very low | 29.2 | Very low | 88 Ų | 88 | 132 Ų | 132 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | trans | -54.9 | 147.4 | -175 | -59.6 | 0 | 0 | 0 | 0 | 113 | S662 | S660-S662 PolarHBondContact O-N 3.2Š| ||
| 661 | P | 30.9 | Very low | 28.4 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -66.8 | 7.9 | -168.8 | -19.8 | 33 | 0 | 0 | 0 | 117.1 | ||
| 662 | S | 28.6 | Very low | 27.8 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -98.1 | 16.1 | -172.6 | -50 | 0 | 0 | 0 | 0 | 114.9 | S660 | S660-S662 PolarHBondContact O-N 3.2Š|
| 663 | Q | 27.9 | Very low | 27.4 | Very low | 180 Ų | 180 | 128.7 Ų | 128.7 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -121 | 12 | 171.7 | -71.4 | -167.7 | -21.8 | 0 | 0 | 114.6 | ||
| 664 | R | 26.2 | Very low | 26.8 | Very low | 228 Ų | 228 | 131.8 Ų | 131.8 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -108.8 | 92.4 | 160 | -73.8 | -175.9 | -163.8 | -179.1 | 5.1 | 107.7 | ||
| 665 | L | 22.5 | Very low | 26.2 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | trans | 149 | 70.7 | 157.7 | -81.8 | 155.6 | 0 | 0 | 0 | 110.9 | ||||
| 666 | T | 23.9 | Very low | 25.6 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -156.5 | 88.8 | 148.6 | 49.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 667 | N | 25.7 | Very low | 25.1 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | trans | -161 | 67.6 | 141.1 | -87.5 | -13.6 | 0 | 0 | 0 | 103.9 | ||||
| 668 | A | 22.1 | Very low | 24.7 | Very low | 81 Ų | 81 | 136.9 Ų | 136.9 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | -78.4 | 154.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 669 | E | 22.1 | Very low | 24.2 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | 81.7 | 99.1 | 153.5 | -66.9 | 168.3 | -169.9 | 0 | 0 | 118.3 | ||||
| 670 | G | 26.3 | Very low | 24 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -148.1 | 70.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | L672 | G670-L672 PolarHBondContact O-N 3.05Š| ||
| 671 | V | 21.8 | Very low | 24.8 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 61% | 0.612 | 79% | 0.793 | S | S | * | * | trans | -53.7 | 123.3 | 171.6 | 173.7 | 0 | 0 | 0 | 0 | 109.7 | E673 | V671-E673 HydrophobicContact CG1-CB 4.25Å; V671-E673 HydrophobicContact CG1-CG 3.97Å | ||
| 672 | L | 22.8 | Very low | 24.5 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 95% | 0.948 | 80% | 0.796 | S | S | * | * | trans | -133.8 | 94.5 | 153.6 | -79.7 | 177.6 | 0 | 0 | 0 | 108 | G670 | G670-L672 PolarHBondContact O-N 3.05Š| ||
| 673 | E | 19.8 | Very low | 24.2 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -77.3 | 145.3 | 175.3 | -99 | -179.1 | 165.7 | 0 | 0 | 112.1 | V671 | V671-E673 HydrophobicContact CG1-CB 4.25Å; V671-E673 HydrophobicContact CG1-CG 3.97Å | ||
| 674 | F | 20.5 | Very low | 23.9 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | 47.7 | 127.4 | 149.4 | -61.9 | -72 | 0 | 0 | 0 | 120.3 | ||||
| 675 | S | 22.6 | Very low | 23.8 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | 178 | 140.4 | 95.6 | -71.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 676 | D | 20.6 | Very low | 23.8 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -61.1 | 167.5 | 175.8 | -64 | -62.6 | 0 | 0 | 0 | 115 | ||||
| 677 | S | 22.3 | Very low | 23.7 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | 123.1 | 145.8 | 134.2 | -45.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 678 | D | 26.3 | Very low | 23.6 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | 101.4 | 89.7 | 165.2 | -53.3 | -15.4 | 0 | 0 | 0 | 114.3 | ||||
| 679 | E | 21.4 | Very low | 23.6 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | 48.1 | 129.2 | 80.1 | -69.4 | -167.3 | 163.9 | 0 | 0 | 112.1 | |||||
| 680 | S | 23.1 | Very low | 23.5 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | cis | -179.1 | -179.3 | 13.8 | 45.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 681 | P | 44.6 | Very low | 23.3 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -106.3 | 161.2 | -150.1 | 40.5 | -35.3 | 0 | 0 | 0 | 116 | ||||
| 682 | V | 24.1 | Very low | 23.4 | Very low | 144 Ų | 144 | 152.4 Ų | 152.4 | 87% | 0.873 | 81% | 0.813 | S | S | * | * | trans | -156.1 | 103.1 | 157.5 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 683 | A | 22.9 | Very low | 23.4 | Very low | 79 Ų | 79 | 147.5 Ų | 147.5 | 65% | 0.653 | 81% | 0.806 | S | S | * | * | 84.9 | 120.8 | 86.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 684 | E | 21.2 | Very low | 23.5 | Very low | 188 Ų | 188 | 150.3 Ų | 150.3 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | 59.9 | 116.9 | 141.5 | -64.8 | -179.3 | 166.1 | 0 | 0 | 121.1 | ||||
| 685 | R | 24.1 | Very low | 23.6 | Very low | 249 Ų | 249 | 150 Ų | 150 | 94% | 0.94 | 82% | 0.82 | S | S | * | * | -162.8 | 120.8 | 115.5 | -107.3 | 169 | -169.4 | -172.4 | 3.8 | 113.2 | |||||
| 686 | S | 21.6 | Very low | 23.5 | Very low | 115 Ų | 115 | 153.3 Ų | 153.3 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -65.8 | 140 | 168.6 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 687 | S | 22.9 | Very low | 23.7 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -158.2 | 92.5 | 145.3 | 61 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 688 | V | 21.9 | Very low | 23.6 | Very low | 135 Ų | 135 | 151.9 Ų | 151.9 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | 42.4 | 116.3 | 142.9 | -164.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 689 | P | 23.8 | Very low | 23.5 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | trans | -89 | 148.4 | 174.6 | 35 | -31.6 | 0 | 0 | 0 | 113.9 | ||||
| 690 | Y | 19.5 | Very low | 23.4 | Very low | 239 Ų | 239 | 153.5 Ų | 153.5 | 94% | 0.937 | 83% | 0.825 | S | S | * | * | trans | -75.7 | 115 | -179.2 | -145.6 | -100.2 | 0 | 0 | 0 | 111.1 | K692 | Y690-K692 PolarHBondContact O-N 2.94Š| ||
| 691 | K | 22.4 | Very low | 23.3 | Very low | 207 Ų | 207 | 157.1 Ų | 157.1 | 90% | 0.9 | 83% | 0.83 | S | S | * | * | trans | -67.8 | 122.1 | 177.6 | -82.8 | 177.6 | 172.1 | 178 | 0 | 111.3 | ||||
| 692 | K | 22.6 | Very low | 22.3 | Very low | 204 Ų | 204 | 157.5 Ų | 157.5 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | trans | -110.7 | 128.1 | 166.8 | -148.9 | 173.6 | -174.4 | 177.4 | 0 | 108.7 | Y690 | Y690-K692 PolarHBondContact O-N 2.94Š| ||
| 693 | G | 22.6 | Very low | 22.2 | Very low | 78 Ų | 78 | 158.8 Ų | 158.8 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 128.3 | -161.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 694 | F | 22.4 | Very low | 22 | Very low | 204 Ų | 204 | 164.1 Ų | 164.1 | 90% | 0.895 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 129.5 | 169.6 | -134.3 | -102.4 | 0 | 0 | 0 | 108.4 | ||
| 695 | I | 22.1 | Very low | 22.1 | Very low | 158 Ų | 158 | 163.6 Ų | 163.6 | 81% | 0.81 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 119.5 | 171.4 | -68.1 | 172.7 | 0 | 0 | 0 | 106.9 | A697 | I695-A697 PolarHBondContact O-N 3.44Š|
| 696 | E | 21.6 | Very low | 21.9 | Very low | 187 Ų | 187 | 159.9 Ų | 159.9 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | trans | -61.8 | 100.4 | 177 | -73.1 | 174.1 | 144.7 | 0 | 0 | 110.8 | ||||
| 697 | A | 23.7 | Very low | 21.9 | Very low | 82 Ų | 82 | 162.1 Ų | 162.1 | 68% | 0.678 | 84% | 0.844 | S | S | * | * | trans | -91.5 | 116.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | I695 T699 | I695-A697 PolarHBondContact O-N 3.44Å; A697-T699 PolarHBondContact O-N 3.19Å | ||
| 698 | V | 21.3 | Very low | 21.9 | Very low | 137 Ų | 137 | 162.9 Ų | 162.9 | 83% | 0.83 | 84% | 0.843 | S | S | * | * | trans | -58.3 | 97.9 | -179.3 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 699 | T | 24 | Very low | 21.8 | Very low | 127 Ų | 127 | 164 Ų | 164 | 78% | 0.779 | 84% | 0.839 | S | S | * | * | trans | -111.3 | 105.2 | 164 | 46 | 0 | 0 | 0 | 0 | 108.5 | A697 Q701 | A697-T699 PolarHBondContact O-N 3.19Å; T699-Q701 PolarHBondContact O-N 3.34Å | ||
| 700 | R | 19.6 | Very low | 21.7 | Very low | 231 Ų | 231 | 163.7 Ų | 163.7 | 87% | 0.872 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 131.5 | 173.3 | -74.9 | 178.3 | 173 | 171.7 | -2.5 | 109.9 | ||
| 701 | Q | 21 | Very low | 21.7 | Very low | 184 Ų | 184 | 159.1 Ų | 159.1 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 126.3 | 177.3 | -72.8 | 173.1 | -21.9 | 0 | 0 | 110.7 | T699 | T699-Q701 PolarHBondContact O-N 3.34Š|
| 702 | P | 23.9 | Very low | 21.7 | Very low | 125 Ų | 125 | 152.8 Ų | 152.8 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -73 | 127.8 | 168.8 | 7.5 | 6.2 | 0 | 0 | 0 | 108.9 | ||
| 703 | L | 21.5 | Very low | 21.8 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 137.4 | 176.3 | -78.6 | 154.5 | 0 | 0 | 0 | 111.2 | L705 | L703-L705 PolarHBondContact O-N 3.45Š|
| 704 | Q | 19 | Very low | 21.8 | Very low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 118.8 | 174.7 | -63.3 | 174.4 | -18.8 | 0 | 0 | 110.1 | ||
| 705 | L | 22.3 | Very low | 21.8 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -117.3 | 117.5 | 162.8 | -155.2 | 73.4 | 0 | 0 | 0 | 108 | L703 | L703-L705 PolarHBondContact O-N 3.45Š| ||
| 706 | E | 20.5 | Very low | 21.9 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | trans | -61.9 | 137.8 | -171.6 | -70.2 | 173.7 | 131.3 | 0 | 0 | 113.5 | V708 | E706-V708 PolarHBondContact O-N 3.02Š| ||
| 707 | N | 21.5 | Very low | 21.9 | Very low | 163 Ų | 163 | 145 Ų | 145 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | 18 | 93.7 | 143.2 | -63.8 | -23.6 | 0 | 0 | 0 | 117.2 | ||||
| 708 | V | 22.9 | Very low | 21.9 | Very low | 129 Ų | 129 | 151.5 Ų | 151.5 | 78% | 0.782 | 82% | 0.822 | S | S | * | * | trans | -117.5 | 105.3 | 154.4 | -176.7 | 0 | 0 | 0 | 0 | 109 | E706 | E706-V708 PolarHBondContact O-N 3.02Š| ||
| 709 | H | 20.1 | Very low | 22.1 | Very low | 159 Ų | 159 | 150.5 Ų | 150.5 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | -70.1 | 119 | 172 | -165 | 81 | 0 | 0 | 0 | 109.1 | N711 | H709-N711 PolarHBondContact NE2-ND2 2.93Š| ||
| 710 | C | 20.6 | Very low | 22.1 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -139.5 | 98.7 | 169 | -66.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 711 | N | 20.5 | Very low | 22.8 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -67.4 | 147.1 | 164.6 | -78 | -37.4 | 0 | 0 | 0 | 110.9 | H709 | H709-N711 PolarHBondContact NE2-ND2 2.93Š| ||
| 712 | G | 23.1 | Very low | 23.4 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 124.9 | 106 | 142 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 713 | A | 23.2 | Very low | 24.4 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 69.3 | 93.8 | 147 | 0 | 0 | 0 | 0 | 0 | 119.1 | K715 | A713-K715 PolarHBondContact O-N 3.4Å; A713-K715 VanDerWaalsContact O-N 3.1Å | ||
| 714 | S | 22.7 | Very low | 25.6 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | -49.5 | 105.6 | 158.1 | -46.3 | 0 | 0 | 0 | 0 | 111.5 | T716 | S714-T716 PolarHBondContact O-N 3.46Š| ||
| 715 | K | 23.6 | Very low | 27.2 | Very low | 196 Ų | 196 | 128.6 Ų | 128.6 | 85% | 0.852 | 73% | 0.733 | S | S | * | * | trans | -82.6 | 107.3 | 163.2 | -82.3 | 179.7 | 175.2 | 176.6 | 0 | 108.4 | A713 T717 | A713-K715 PolarHBondContact O-N 3.4Å; A713-K715 VanDerWaalsContact O-N 3.1Å; K715-T717 PolarHBondContact O-N 3.32Å | ||
| 716 | T | 22.7 | Very low | 29.2 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 74% | 0.742 | 71% | 0.707 | S | S | * | * | trans | -65.4 | 107.9 | 164.9 | 28.9 | 0 | 0 | 0 | 0 | 109.2 | S714 Y718 | S714-T716 PolarHBondContact O-N 3.46Å; T716-Y718 PolarHBondContact O-N 3.25Å | ||
| 717 | T | 23.2 | Very low | 31.7 | Very low | 129 Ų | 129 | 117 Ų | 117 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 117.6 | 172.3 | -43.4 | 0 | 0 | 0 | 0 | 108.6 | K715 V719 | K715-T717 PolarHBondContact O-N 3.32Å; T717-V719 PolarHBondContact O-N 3.15Å |
| 718 | Y | 22 | Very low | 34.8 | Very low | 218 Ų | 218 | 109.8 Ų | 109.8 | 86% | 0.855 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 117.5 | 177.4 | -74.9 | -95.2 | 0 | 0 | 0 | 110.7 | T716 | T716-Y718 PolarHBondContact O-N 3.25Š|
| 719 | V | 25.2 | Very low | 37.8 | Very low | 116 Ų | 116 | 104.1 Ų | 104.1 | 70% | 0.703 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 130 | 167.5 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | T717 | T717-V719 PolarHBondContact O-N 3.15Š|
| 720 | T | 26 | Very low | 40.8 | Very low | 101 Ų | 101 | 101.5 Ų | 101.5 | 62% | 0.62 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 142.8 | -176 | 41.2 | 0 | 0 | 0 | 0 | 112.6 | S722 D723 | T720-S722 PolarHBondContact O-N 3.47Å; T720-D723 PolarHBondContact O-N 3.33Å |
| 721 | N | 32.8 | Very low | 43.7 | Very low | 144 Ų | 144 | 98.2 Ų | 98.2 | 77% | 0.77 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -6.1 | -169.3 | -80.9 | -17.5 | 0 | 0 | 0 | 117.9 | ||
| 722 | S | 35 | Very low | 46.1 | Very low | 85 Ų | 85 | 99.1 Ų | 99.1 | 59% | 0.594 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -23.9 | 179.9 | 52.9 | 0 | 0 | 0 | 0 | 114 | T720 I724 | T720-S722 PolarHBondContact O-N 3.47Å; S722-I724 VanDerWaalsContact C-N 3.32Å; S722-I724 PolarHBondContact O-N 3.35Å |
| 723 | D | 44.3 | Very low | 48.3 | Very low | 81 Ų | 81 | 100.2 Ų | 100.2 | 43% | 0.433 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.8 | -1.7 | -171 | -65.1 | -15.6 | 0 | 0 | 0 | 114.2 | T720 | T720-D723 PolarHBondContact O-N 3.33Š|
| 724 | I | 47.4 | Very low | 50.5 | Low | 88 Ų | 88 | 101.2 Ų | 101.2 | 45% | 0.451 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.1 | -27 | -173.3 | -56.7 | 174.8 | 0 | 0 | 0 | 111.8 | S722 D726 | S722-I724 VanDerWaalsContact C-N 3.32Å; S722-I724 PolarHBondContact O-N 3.35Å; I724-D726 VanDerWaalsContact C-N 3.27Å; I724-D726 PolarHBondContact O-N 3.24Å |
| 725 | S | 52.2 | Low | 53 | Low | 69 Ų | 69 | 98.5 Ų | 98.5 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -24.7 | -176.3 | 59.4 | 0 | 0 | 0 | 0 | 114 | R792 | S725-R792 PolarHBondContact O-NE 2.92Å; S725-R792 PolarHBondContact O-NH2 2.85Å |
| 726 | D | 62.8 | Low | 55.7 | Low | 70 Ų | 70 | 92.6 Ų | 92.6 | 37% | 0.374 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -3.1 | -165.9 | -61.9 | -3.7 | 0 | 0 | 0 | 113.1 | I724 I728 | I724-D726 VanDerWaalsContact C-N 3.27Å; I724-D726 PolarHBondContact O-N 3.24Å; D726-I728 PolarHBondContact O-N 3.46Å |
| 727 | T | 74.9 | Confident | 58.3 | Low | 33 Ų | 33 | 91.6 Ų | 91.6 | 20% | 0.202 | 50% | 0.5 | C | S | . | . | trans | -72 | 125.7 | 174.6 | -59.7 | 0 | 0 | 0 | 0 | 110 | F729 F730 H771 R792 | T727-F729 WeakPolarHBondContact CG2-O 3.26Å; T727-F730 HydrophobicContact CG2-CD1 4.04Å; T727-F730 HydrophobicContact CG2-CE1 4.04Å; T727-H771 WeakPolarHBondContact O-CB 3.26Å; T727-R792 PolarHBondContact O-NH2 3.05Å | ||
| 728 | I | 84.6 | Confident | 61 | Low | 13 Ų | 13 | 86.1 Ų | 86.1 | 7% | 0.067 | 47% | 0.469 | C | S | . | . | trans | -89 | -53.8 | 177.7 | -59.4 | 176.2 | 0 | 0 | 0 | 111 | D726 H771 L774 L793 S796 | D726-I728 PolarHBondContact O-N 3.46Å; I728-H771 WeakPolarHBondContact O-CB 3.38Å; I728-H771 PolarHBondContact O-N 3.38Å; I728-L774 HydrophobicContact CB-CD2 4.1Å; I728-L774 HydrophobicContact CG1-CD2 4.29Å; I728-L774 HydrophobicContact CG2-CD2 3.41Å; I728-L774 VanDerWaalsContact CG2-CD2 3.41Å; I728-L793 HydrophobicContact CD1-CD2 3.7Å; I728-L793 HydrophobicContact CG1-CD2 4.26Å; I728-L793 HydrophobicContact CG2-CD2 4.09Å; I728-S796 WeakPolarHBondContact CD1-OG 3.2Å | ||
| 729 | F | 87.8 | Confident | 64 | Low | 9 Ų | 9 | 76.6 Ų | 76.6 | 4% | 0.039 | 43% | 0.433 | C | S | . | . | B | Isolated β-bridge | trans | -126.3 | 142 | -179.7 | -65.2 | -84 | 0 | 0 | 0 | 109.7 | T727 V731 F765 S768 I770 V811 H815 I819 | T727-F729 WeakPolarHBondContact CG2-O 3.26Å; F729-V731 HydrophobicContact CB-CG2 4.24Å; F729-F765 AromaticContact CE1-CD1 3.92Å; F729-F765 HydrophobicContact CE1-CD1 3.92Å; F729-F765 HydrophobicContact CE1-CE1 4.28Å; F729-F765 HydrophobicContact CZ-CD1 4.04Å; F729-F765 AromaticContact CZ-CE1 3.92Å; F729-F765 HydrophobicContact CZ-CE1 3.92Å; F729-S768 VanDerWaalsContact CD1-O 3.28Å; F729-S768 WeakPolarHBondContact CD1-O 3.44Å; F729-I770 HydrophobicContact CD1-CB 3.95Å; F729-I770 HydrophobicContact CD1-CG1 4.37Å; F729-I770 HydrophobicContact CE1-CB 3.86Å; F729-I770 HydrophobicContact CE1-CD1 4.29Å; F729-I770 HydrophobicContact CE1-CG1 4.17Å; F729-I770 HydrophobicContact CZ-CD1 4.49Å; F729-V811 HydrophobicContact CB-CG1 3.91Å; F729-V811 HydrophobicContact CD2-CG1 4.17Å; F729-V811 HydrophobicContact CG-CG1 4.48Å; F729-H815 HydrophobicContact CD2-CB 3.99Å; F729-H815 AromaticContact CD2-CG 3.86Å; F729-H815 AromaticContact CD2-ND1 3.77Å; F729-H815 HydrophobicContact CE1-CB 4.29Å; F729-H815 HydrophobicContact CE2-CB 3.39Å; F729-H815 AromaticContact CE2-CG 3.72Å; F729-H815 AromaticContact CG-ND1 3.98Å; F729-H815 HydrophobicContact CZ-CB 3.56Å; F729-H815 AromaticContact CZ-CG 3.86Å; F729-I819 HydrophobicContact CE2-CD1 4.41Å |
| 730 | F | 82.7 | Confident | 66.9 | Low | 104 Ų | 104 | 74.2 Ų | 74.2 | 46% | 0.456 | 42% | 0.416 | S | S | . | . | trans | -85.6 | 116.2 | 170.6 | -62.3 | -65.5 | 0 | 0 | 0 | 109.2 | T727 H769 H771 | T727-F730 HydrophobicContact CG2-CD1 4.04Å; T727-F730 HydrophobicContact CG2-CE1 4.04Å; F730-H769 HydrophobicContact CB-CB 4.11Å; F730-H769 PolarHBondContact N-O 3.34Å; F730-H769 WeakPolarHBondContact O-CB 3.48Å; F730-H771 HydrophobicContact CE2-CB 4.36Å; F730-H771 AromaticContact CE2-CD2 3.97Å; F730-H771 AromaticContact CZ-CD2 3.39Å; F730-H771 WeakPolarHBondContact CZ-CD2 3.46Å | ||
| 731 | V | 80.9 | Confident | 69.6 | Low | 46 Ų | 46 | 75.5 Ų | 75.5 | 28% | 0.279 | 42% | 0.415 | S | S | . | . | trans | -124.5 | 141.1 | -178.2 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | F729 L739 P806 V811 | F729-V731 HydrophobicContact CB-CG2 4.24Å; V731-L739 HydrophobicContact CB-CD1 4.48Å; V731-L739 HydrophobicContact CG1-CD1 3.55Å; V731-L739 HydrophobicContact CG1-CD2 4.35Å; V731-L739 HydrophobicContact CG2-CD1 4.03Å; V731-P806 HydrophobicContact CG1-CG 4.07Å; V731-V811 HydrophobicContact CG2-CG1 3.85Å; V731-V811 HydrophobicContact CG2-CG2 4.16Å | ||
| 732 | E | 71.3 | Confident | 72.1 | Confident | 163 Ų | 163 | 71.9 Ų | 71.9 | 76% | 0.762 | 40% | 0.398 | S | S | * | . | trans | -65.7 | 137.5 | 173.7 | -65.3 | -171.6 | 169.9 | 0 | 0 | 110.9 | ||||
| 733 | S | 69.2 | Low | 74.7 | Confident | 97 Ų | 97 | 68 Ų | 68 | 68% | 0.678 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 137.9 | -178.6 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | I805 | S733-I805 WeakPolarHBondContact CA-O 3.13Š|
| 734 | N | 69 | Low | 76.7 | Confident | 118 Ų | 118 | 70 Ų | 70 | 63% | 0.631 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 13.6 | 177.4 | -55.1 | -36.3 | 0 | 0 | 0 | 117.8 | I805 | N734-I805 PolarHBondContact N-O 2.82Å; N734-I805 VanDerWaalsContact N-O 3.09Å; N734-I805 WeakPolarHBondContact OD1-CG2 3.41Å |
| 735 | D | 75 | Confident | 78.4 | Confident | 67 Ų | 67 | 71 Ų | 71 | 36% | 0.358 | 38% | 0.382 | S | S | . | . | trans | -104.6 | 53.3 | 175.7 | -169.8 | 27.4 | 0 | 0 | 0 | 114.3 | T737 G738 L739 | D735-T737 VanDerWaalsContact C-N 3.33Å; D735-T737 PolarHBondContact O-N 2.98Å; D735-G738 VanDerWaalsContact OD1-CA 3.22Å; D735-G738 WeakPolarHBondContact OD1-CA 3.27Å; D735-G738 PolarHBondContact OD1-N 3.27Å; D735-L739 WeakPolarHBondContact O-CB 2.9Å; D735-L739 PolarHBondContact O-N 3.5Å | ||
| 736 | E | 80 | Confident | 80.1 | Confident | 73 Ų | 73 | 69.2 Ų | 69.2 | 34% | 0.341 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 175.9 | -73.4 | -171.1 | 163.1 | 0 | 0 | 112.5 | L739 L740 P806 I810 | E736-L739 PolarHBondContact O-N 3.29Å; E736-L740 WeakPolarHBondContact O-CG 3.47Å; E736-L740 PolarHBondContact O-N 3.31Å; E736-L740 VanDerWaalsContact O-N 3.12Å; E736-P806 HydrophobicContact CG-CB 3.67Å; E736-P806 HydrophobicContact CG-CG 3.79Å; E736-P806 WeakPolarHBondContact OE1-CA 3.36Å; E736-I810 HydrophobicContact CG-CG2 4.32Å |
| 737 | T | 77.1 | Confident | 81 | Confident | 100 Ų | 100 | 66 Ų | 66 | 61% | 0.613 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.7 | -42 | -178 | 44 | 0 | 0 | 0 | 0 | 112.5 | D735 Q741 | D735-T737 VanDerWaalsContact C-N 3.33Å; D735-T737 PolarHBondContact O-N 2.98Å; T737-Q741 WeakPolarHBondContact O-CB 3.28Å; T737-Q741 VanDerWaalsContact O-CG 3.26Å; T737-Q741 WeakPolarHBondContact O-CG 3.47Å; T737-Q741 PolarHBondContact O-N 2.88Å |
| 738 | G | 81.6 | Confident | 81 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 14% | 0.144 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D735 L740 Q741 T742 | D735-G738 VanDerWaalsContact OD1-CA 3.22Å; D735-G738 WeakPolarHBondContact OD1-CA 3.27Å; D735-G738 PolarHBondContact OD1-N 3.27Å; G738-L740 PolarHBondContact O-N 3.17Å; G738-Q741 PolarHBondContact O-N 3.28Å; G738-T742 PolarHBondContact O-N 3.03Å; G738-T742 PolarHBondContact O-OG1 3.3Å; G738-T742 VanDerWaalsContact O-OG1 3.1Å |
| 739 | L | 83.8 | Confident | 80.4 | Confident | 17 Ų | 17 | 70 Ų | 70 | 9% | 0.089 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.3 | -47.3 | 177.9 | -148.9 | 75.6 | 0 | 0 | 0 | 112.8 | V731 D735 E736 T742 K743 V811 A814 | V731-L739 HydrophobicContact CB-CD1 4.48Å; V731-L739 HydrophobicContact CG1-CD1 3.55Å; V731-L739 HydrophobicContact CG1-CD2 4.35Å; V731-L739 HydrophobicContact CG2-CD1 4.03Å; D735-L739 WeakPolarHBondContact O-CB 2.9Å; D735-L739 PolarHBondContact O-N 3.5Å; E736-L739 PolarHBondContact O-N 3.29Å; L739-T742 PolarHBondContact O-N 3.4Å; L739-K743 PolarHBondContact O-N 2.96Å; L739-K743 VanDerWaalsContact O-N 3.09Å; L739-V811 HydrophobicContact CD2-CG2 4.39Å; L739-A814 HydrophobicContact CB-CB 4.18Å; L739-A814 HydrophobicContact CD2-CB 3.3Å; L739-A814 HydrophobicContact CG-CB 3.47Å; L739-A814 VanDerWaalsContact CG-CB 3.47Å |
| 740 | L | 86.2 | Confident | 79.4 | Confident | 66 Ų | 66 | 71.3 Ų | 71.3 | 35% | 0.346 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70.8 | -35 | 179 | -65.6 | 177.8 | 0 | 0 | 0 | 112.2 | E736 G738 T742 K743 E744 Y813 A814 | E736-L740 WeakPolarHBondContact O-CG 3.47Å; E736-L740 PolarHBondContact O-N 3.31Å; E736-L740 VanDerWaalsContact O-N 3.12Å; G738-L740 PolarHBondContact O-N 3.17Å; L740-T742 VanDerWaalsContact C-N 3.35Å; L740-K743 WeakPolarHBondContact O-CB 3.39Å; L740-K743 PolarHBondContact O-N 2.91Å; L740-E744 PolarHBondContact O-N 3.2Å; L740-E744 VanDerWaalsContact O-N 3.09Å; L740-Y813 HydrophobicContact CD2-CD1 3.74Å; L740-Y813 HydrophobicContact CD2-CE1 3.91Å; L740-A814 HydrophobicContact CD2-CB 4.16Å |
| 741 | Q | 82.2 | Confident | 78.1 | Confident | 128 Ų | 128 | 73.2 Ų | 73.2 | 60% | 0.598 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.8 | -40 | 172.9 | -74.2 | 175.3 | 23.4 | 0 | 0 | 111.6 | T737 G738 K743 E744 I745 | T737-Q741 WeakPolarHBondContact O-CB 3.28Å; T737-Q741 VanDerWaalsContact O-CG 3.26Å; T737-Q741 WeakPolarHBondContact O-CG 3.47Å; T737-Q741 PolarHBondContact O-N 2.88Å; G738-Q741 PolarHBondContact O-N 3.28Å; Q741-K743 VanDerWaalsContact C-N 3.33Å; Q741-K743 PolarHBondContact O-N 3.3Å; Q741-E744 PolarHBondContact O-N 2.71Å; Q741-I745 WeakPolarHBondContact O-CG1 3.35Å; Q741-I745 PolarHBondContact O-N 3.47Å |
| 742 | T | 85.5 | Confident | 76.6 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 42% | 0.423 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | G738 L739 L740 I745 R746 | G738-T742 PolarHBondContact O-N 3.03Å; G738-T742 PolarHBondContact O-OG1 3.3Å; G738-T742 VanDerWaalsContact O-OG1 3.1Å; L739-T742 PolarHBondContact O-N 3.4Å; L740-T742 VanDerWaalsContact C-N 3.35Å; T742-I745 PolarHBondContact O-N 3.31Å; T742-R746 WeakPolarHBondContact O-CG 3.45Å; T742-R746 PolarHBondContact O-N 3.12Å |
| 743 | K | 91.4 | Very high | 75.2 | Confident | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.009 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -55.6 | -50.6 | 170.8 | 179.6 | 176.1 | 173.3 | 169.8 | 0 | 111.8 | L739 L740 Q741 I745 R746 L747 Y813 A814 E873 | L739-K743 PolarHBondContact O-N 2.96Å; L739-K743 VanDerWaalsContact O-N 3.09Å; L740-K743 WeakPolarHBondContact O-CB 3.39Å; L740-K743 PolarHBondContact O-N 2.91Å; Q741-K743 VanDerWaalsContact C-N 3.33Å; Q741-K743 PolarHBondContact O-N 3.3Å; K743-I745 VanDerWaalsContact C-N 3.31Å; K743-I745 PolarHBondContact O-N 3.06Å; K743-R746 PolarHBondContact O-N 2.98Å; K743-R746 VanDerWaalsContact O-N 3.15Å; K743-L747 HydrophobicContact CD-CD1 4.49Å; K743-L747 HydrophobicContact CG-CD1 3.93Å; K743-L747 HydrophobicContact CG-CG 4.34Å; K743-L747 WeakPolarHBondContact O-CG 3.43Å; K743-L747 PolarHBondContact O-N 3.11Å; K743-Y813 HydrophobicContact CD-CE1 4.49Å; K743-Y813 WeakPolarHBondContact CD-O 3.37Å; K743-Y813 WeakPolarHBondContact CE-O 3.32Å; K743-Y813 PolarHBondContact NZ-O 3.01Å; K743-A814 WeakPolarHBondContact CB-O 3.31Å; K743-E873 WeakPolarHBondContact CE-OE1 3.27Å; K743-E873 IonicContact NZ-OE1 3.81Å; K743-E873 PolarHBondContact NZ-OE1 3.05Å; K743-E873 IonicContact NZ-OE2 3.72Å |
| 744 | E | 85 | Confident | 74.2 | Confident | 124 Ų | 124 | 81.5 Ų | 81.5 | 58% | 0.579 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.9 | -38.2 | 180 | -72.8 | -62 | 143.4 | 0 | 0 | 112.6 | L740 Q741 G748 | L740-E744 PolarHBondContact O-N 3.2Å; L740-E744 VanDerWaalsContact O-N 3.09Å; Q741-E744 PolarHBondContact O-N 2.71Å; E744-G748 PolarHBondContact O-N 3.15Å |
| 745 | I | 82.7 | Confident | 73.7 | Confident | 109 Ų | 109 | 83.4 Ų | 83.4 | 56% | 0.559 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.9 | -43.9 | 175.1 | -66.1 | 164.7 | 0 | 0 | 0 | 110.8 | Q741 T742 K743 G748 N749 | Q741-I745 WeakPolarHBondContact O-CG1 3.35Å; Q741-I745 PolarHBondContact O-N 3.47Å; T742-I745 PolarHBondContact O-N 3.31Å; K743-I745 VanDerWaalsContact C-N 3.31Å; K743-I745 PolarHBondContact O-N 3.06Å; I745-G748 PolarHBondContact O-N 3.36Å; I745-N749 PolarHBondContact O-N 3.4Å; I745-N749 PolarHBondContact O-ND2 3.23Å |
| 746 | R | 88.1 | Confident | 73.3 | Confident | 31 Ų | 31 | 81.7 Ų | 81.7 | 12% | 0.117 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 176.9 | -70.3 | -165.1 | -49.5 | -97.2 | -4.2 | 111.8 | T742 K743 G748 N749 L750 A814 D817 | T742-R746 WeakPolarHBondContact O-CG 3.45Å; T742-R746 PolarHBondContact O-N 3.12Å; K743-R746 PolarHBondContact O-N 2.98Å; K743-R746 VanDerWaalsContact O-N 3.15Å; R746-G748 VanDerWaalsContact C-N 3.34Å; R746-G748 PolarHBondContact O-N 3.3Å; R746-N749 WeakPolarHBondContact O-CB 3.35Å; R746-N749 PolarHBondContact O-N 3.24Å; R746-L750 WeakPolarHBondContact O-CG 3.4Å; R746-L750 PolarHBondContact O-N 3.45Å; R746-A814 PolarHBondContact NH2-O 2.5Å; R746-D817 WeakPolarHBondContact CB-OD2 3.42Å; R746-D817 IonicContact CZ-OD1 3.41Å; R746-D817 IonicContact CZ-OD2 2.81Å; R746-D817 IonicContact NE-OD1 2.79Å; R746-D817 IonicContact NE-OD2 2.69Å; R746-D817 PolarHBondContact NE-OD2 3.29Å; R746-D817 IonicContact NH2-OD1 3.25Å; R746-D817 PolarHBondContact NH2-OD1 3.22Å; R746-D817 IonicContact NH2-OD2 3.14Å; R746-D817 PolarHBondContact NH2-OD2 2.95Å |
| 747 | L | 83 | Confident | 73 | Confident | 2 Ų | 2 | 82.6 Ų | 82.6 | 1% | 0.01 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -56.3 | -46.8 | 173.7 | -74.4 | 174.3 | 0 | 0 | 0 | 111.4 | K743 N749 L750 K751 D817 Q872 E873 | K743-L747 HydrophobicContact CD-CD1 4.49Å; K743-L747 HydrophobicContact CG-CD1 3.93Å; K743-L747 HydrophobicContact CG-CG 4.34Å; K743-L747 WeakPolarHBondContact O-CG 3.43Å; K743-L747 PolarHBondContact O-N 3.11Å; L747-N749 PolarHBondContact O-N 3.48Å; L747-N749 VanDerWaalsContact O-N 3.16Å; L747-L750 HydrophobicContact CD2-CD1 4.22Å; L747-L750 WeakPolarHBondContact O-CB 2.86Å; L747-L750 PolarHBondContact O-N 3.41Å; L747-K751 PolarHBondContact O-N 3.27Å; L747-D817 HydrophobicContact CD2-CB 3.92Å; L747-D817 HydrophobicContact CG-CB 4.45Å; L747-Q872 VanDerWaalsContact C-OE1 3.28Å; L747-Q872 HydrophobicContact CD2-CB 4.13Å; L747-Q872 VanDerWaalsContact O-CD 3.26Å; L747-Q872 PolarHBondContact O-NE2 3.03Å; L747-Q872 PolarHBondContact O-OE1 2.87Å; L747-E873 HydrophobicContact CD2-CG 4.05Å |
| 748 | G | 74.1 | Confident | 73.2 | Confident | 36 Ų | 36 | 81.8 Ų | 81.8 | 37% | 0.371 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -54.3 | -36.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | E744 I745 R746 | E744-G748 PolarHBondContact O-N 3.15Å; I745-G748 PolarHBondContact O-N 3.36Å; R746-G748 VanDerWaalsContact C-N 3.34Å; R746-G748 PolarHBondContact O-N 3.3Å |
| 749 | N | 71.6 | Confident | 73.2 | Confident | 95 Ų | 95 | 86.5 Ų | 86.5 | 51% | 0.508 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -75.5 | -34.8 | 176.3 | -70.4 | -36.6 | 0 | 0 | 0 | 112.9 | I745 R746 L747 K751 K752 | I745-N749 PolarHBondContact O-N 3.4Å; I745-N749 PolarHBondContact O-ND2 3.23Å; R746-N749 WeakPolarHBondContact O-CB 3.35Å; R746-N749 PolarHBondContact O-N 3.24Å; L747-N749 PolarHBondContact O-N 3.48Å; L747-N749 VanDerWaalsContact O-N 3.16Å; N749-K751 PolarHBondContact O-N 3.04Å; N749-K752 PolarHBondContact O-N 3.43Å |
| 750 | L | 66.6 | Low | 73.3 | Confident | 37 Ų | 37 | 90.3 Ų | 90.3 | 19% | 0.194 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.4 | -23.2 | 175.8 | -70.3 | 166.5 | 0 | 0 | 0 | 113 | R746 L747 K752 H753 I756 D817 I821 Q872 | R746-L750 WeakPolarHBondContact O-CG 3.4Å; R746-L750 PolarHBondContact O-N 3.45Å; L747-L750 HydrophobicContact CD2-CD1 4.22Å; L747-L750 WeakPolarHBondContact O-CB 2.86Å; L747-L750 PolarHBondContact O-N 3.41Å; L750-K752 PolarHBondContact O-N 3.38Å; L750-H753 PolarHBondContact O-N 3.09Å; L750-I756 HydrophobicContact CD2-CD1 3.3Å; L750-I756 HydrophobicContact CD2-CG1 4.43Å; L750-D817 HydrophobicContact CD1-CB 4.31Å; L750-I821 HydrophobicContact CD1-CD1 3.8Å; L750-I821 HydrophobicContact CD2-CD1 3.58Å; L750-I821 HydrophobicContact CG-CD1 4.35Å; L750-Q872 VanDerWaalsContact C-NE2 3.26Å; L750-Q872 VanDerWaalsContact CB-NE2 3.35Å |
| 751 | K | 55.3 | Low | 73.3 | Confident | 144 Ų | 144 | 87.2 Ų | 87.2 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.1 | 178.1 | -74.1 | -173.4 | 172.1 | 168 | 0 | 112.8 | L747 N749 H753 Q872 | L747-K751 PolarHBondContact O-N 3.27Å; N749-K751 PolarHBondContact O-N 3.04Å; K751-H753 VanDerWaalsContact C-N 3.25Å; K751-H753 PolarHBondContact O-N 2.86Å; K751-Q872 HydrophobicContact CG-CG 4.22Å |
| 752 | K | 51.1 | Low | 73.7 | Confident | 149 Ų | 149 | 83.6 Ų | 83.6 | 65% | 0.648 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 11.8 | -174.5 | -61.7 | -178.3 | -176.9 | 169 | 0 | 114.7 | N749 L750 Q754 | N749-K752 PolarHBondContact O-N 3.43Å; L750-K752 PolarHBondContact O-N 3.38Å; K752-Q754 VanDerWaalsContact C-N 3.3Å; K752-Q754 PolarHBondContact O-N 3.48Å |
| 753 | H | 40.3 | Very low | 74 | Confident | 181 Ų | 181 | 85.4 Ų | 85.4 | 84% | 0.838 | 42% | 0.415 | S | S | * | . | trans | 50.8 | 44.6 | 176.8 | -69.8 | -0.4 | 0 | 0 | 0 | 113.4 | L750 K751 | L750-H753 PolarHBondContact O-N 3.09Å; K751-H753 VanDerWaalsContact C-N 3.25Å; K751-H753 PolarHBondContact O-N 2.86Å | ||
| 754 | Q | 48.1 | Very low | 73.8 | Confident | 150 Ų | 150 | 87.1 Ų | 87.1 | 70% | 0.701 | 42% | 0.423 | S | S | * | . | trans | -89.3 | 119.1 | 170.9 | -71.2 | -176.4 | -4.1 | 0 | 0 | 108.4 | K752 I756 | K752-Q754 VanDerWaalsContact C-N 3.3Å; K752-Q754 PolarHBondContact O-N 3.48Å; Q754-I756 PolarHBondContact O-N 3.03Å | ||
| 755 | N | 58.5 | Low | 74.2 | Confident | 157 Ų | 157 | 81.2 Ų | 81.2 | 84% | 0.84 | 40% | 0.396 | S | S | * | . | trans | -62 | 104.2 | 167.9 | -149.3 | 2.1 | 0 | 0 | 0 | 106.9 | N757 | N755-N757 PolarHBondContact O-N 3.22Š| ||
| 756 | I | 67.9 | Low | 74.6 | Confident | 32 Ų | 32 | 79.5 Ų | 79.5 | 16% | 0.164 | 39% | 0.388 | C | S | . | . | trans | -73.9 | 111.2 | -175.9 | -67.6 | 174.9 | 0 | 0 | 0 | 107.2 | L750 Q754 K760 L761 L764 I821 | L750-I756 HydrophobicContact CD2-CD1 3.3Å; L750-I756 HydrophobicContact CD2-CG1 4.43Å; Q754-I756 PolarHBondContact O-N 3.03Å; I756-K760 HydrophobicContact CG2-CB 3.99Å; I756-K760 HydrophobicContact CG2-CG 4.1Å; I756-L761 HydrophobicContact CG2-CB 3.86Å; I756-L761 HydrophobicContact CG2-CD1 4.46Å; I756-L764 HydrophobicContact CD1-CD1 4.31Å; I756-I821 HydrophobicContact CD1-CD1 3.95Å | ||
| 757 | N | 73.6 | Confident | 74.6 | Confident | 91 Ų | 91 | 83.5 Ų | 83.5 | 49% | 0.487 | 41% | 0.408 | S | S | . | . | trans | -67.9 | 160.8 | 176 | 73.3 | -6 | 0 | 0 | 0 | 111.3 | N755 D759 K760 L761 | N755-N757 PolarHBondContact O-N 3.22Å; N757-D759 VanDerWaalsContact C-N 3.26Å; N757-D759 PolarHBondContact O-N 3.33Å; N757-K760 PolarHBondContact O-N 2.88Å; N757-K760 VanDerWaalsContact O-N 3.1Å; N757-K760 WeakPolarHBondContact OD1-CB 3.1Å; N757-K760 PolarHBondContact OD1-N 2.95Å; N757-L761 PolarHBondContact O-N 3.47Å | ||
| 758 | K | 79.7 | Confident | 74.9 | Confident | 84 Ų | 84 | 84 Ų | 84 | 37% | 0.365 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -48.4 | -46 | 178.5 | 173.9 | 168.9 | -170.2 | 170.8 | 0 | 113.2 | K760 L761 Q762 Y826 | K758-K760 PolarHBondContact O-N 2.98Å; K758-L761 PolarHBondContact O-N 3.28Å; K758-Q762 WeakPolarHBondContact O-CG 3.46Å; K758-Q762 PolarHBondContact O-N 3.41Å; K758-Y826 WeakPolarHBondContact CD-OH 3.27Å; K758-Y826 WeakPolarHBondContact CE-OH 3.42Å; K758-Y826 WeakPolarHBondContact CG-OH 3.35Å |
| 759 | D | 83 | Confident | 75.5 | Confident | 112 Ų | 112 | 88 Ų | 88 | 60% | 0.599 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.5 | -40.8 | -177.1 | -56.3 | -33.3 | 0 | 0 | 0 | 111.6 | N757 Q762 Y763 | N757-D759 VanDerWaalsContact C-N 3.26Å; N757-D759 PolarHBondContact O-N 3.33Å; D759-Q762 PolarHBondContact O-N 3.15Å; D759-Y763 WeakPolarHBondContact O-CB 3.38Å; D759-Y763 PolarHBondContact O-N 2.94Å |
| 760 | K | 84.8 | Confident | 76.6 | Confident | 98 Ų | 98 | 83.9 Ų | 83.9 | 43% | 0.426 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70 | -37.2 | 177.3 | -174.1 | 59.9 | 177.4 | 175.3 | 0 | 111.6 | I756 N757 K758 Y763 L764 | I756-K760 HydrophobicContact CG2-CB 3.99Å; I756-K760 HydrophobicContact CG2-CG 4.1Å; N757-K760 PolarHBondContact O-N 2.88Å; N757-K760 VanDerWaalsContact O-N 3.1Å; N757-K760 WeakPolarHBondContact OD1-CB 3.1Å; N757-K760 PolarHBondContact OD1-N 2.95Å; K758-K760 PolarHBondContact O-N 2.98Å; K760-Y763 HydrophobicContact CD-CD1 4.16Å; K760-Y763 PolarHBondContact O-N 3.36Å; K760-L764 HydrophobicContact CG-CD1 4.5Å; K760-L764 WeakPolarHBondContact O-CG 3.5Å; K760-L764 PolarHBondContact O-N 3.44Å |
| 761 | L | 87.6 | Confident | 77.7 | Confident | 1 Ų | 1 | 82.9 Ų | 82.9 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 175.1 | -172.6 | 59.7 | 0 | 0 | 0 | 110.6 | I756 N757 K758 Y763 L764 F765 F779 I821 W822 Y826 | I756-L761 HydrophobicContact CG2-CB 3.86Å; I756-L761 HydrophobicContact CG2-CD1 4.46Å; N757-L761 PolarHBondContact O-N 3.47Å; K758-L761 PolarHBondContact O-N 3.28Å; L761-Y763 VanDerWaalsContact C-N 3.31Å; L761-Y763 PolarHBondContact O-N 3.44Å; L761-L764 PolarHBondContact O-N 2.81Å; L761-L764 VanDerWaalsContact O-N 3.12Å; L761-F765 HydrophobicContact CD1-CD2 4.05Å; L761-F765 HydrophobicContact CD1-CE2 3.69Å; L761-F765 HydrophobicContact CD2-CE2 4.28Å; L761-F765 HydrophobicContact CG-CD2 3.94Å; L761-F765 HydrophobicContact CG-CE2 3.75Å; L761-F765 VanDerWaalsContact O-CD2 3.29Å; L761-F765 WeakPolarHBondContact O-CD2 3.46Å; L761-F765 PolarHBondContact O-N 2.92Å; L761-F779 HydrophobicContact CD2-CE1 4.17Å; L761-F779 HydrophobicContact CD2-CZ 4.32Å; L761-F779 HydrophobicContact CG-CE1 4.35Å; L761-F779 HydrophobicContact CG-CZ 4.13Å; L761-I821 HydrophobicContact CD1-CB 4.2Å; L761-I821 HydrophobicContact CD1-CG2 3.76Å; L761-I821 HydrophobicContact CD2-CG2 4.21Å; L761-W822 HydrophobicContact CD2-CB 4.24Å; L761-Y826 HydrophobicContact CD2-CE2 4.27Å |
| 762 | Q | 90.5 | Very high | 79.3 | Confident | 51 Ų | 51 | 80 Ų | 80 | 24% | 0.238 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 175.4 | -75.6 | -173.7 | 2.4 | 0 | 0 | 112.3 | K758 D759 L764 F765 D766 F779 | K758-Q762 WeakPolarHBondContact O-CG 3.46Å; K758-Q762 PolarHBondContact O-N 3.41Å; D759-Q762 PolarHBondContact O-N 3.15Å; Q762-L764 VanDerWaalsContact C-N 3.33Å; Q762-L764 PolarHBondContact O-N 3.37Å; Q762-F765 PolarHBondContact O-N 2.87Å; Q762-D766 PolarHBondContact O-N 3.41Å; Q762-F779 HydrophobicContact CB-CZ 4.39Å; Q762-F779 HydrophobicContact CG-CD1 3.65Å; Q762-F779 HydrophobicContact CG-CD2 3.86Å; Q762-F779 HydrophobicContact CG-CE1 3.5Å; Q762-F779 HydrophobicContact CG-CE2 3.75Å; Q762-F779 HydrophobicContact CG-CG 3.82Å; Q762-F779 HydrophobicContact CG-CZ 3.56Å |
| 763 | Y | 90.1 | Very high | 81 | Confident | 108 Ų | 108 | 75.8 Ų | 75.8 | 42% | 0.424 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59 | -41.8 | 175.5 | 173.8 | -97.7 | 0 | 0 | 0 | 112.6 | D759 K760 L761 F765 D766 E767 | D759-Y763 WeakPolarHBondContact O-CB 3.38Å; D759-Y763 PolarHBondContact O-N 2.94Å; K760-Y763 HydrophobicContact CD-CD1 4.16Å; K760-Y763 PolarHBondContact O-N 3.36Å; L761-Y763 VanDerWaalsContact C-N 3.31Å; L761-Y763 PolarHBondContact O-N 3.44Å; Y763-F765 VanDerWaalsContact C-N 3.34Å; Y763-F765 PolarHBondContact O-N 2.94Å; Y763-D766 PolarHBondContact O-N 2.97Å; Y763-E767 HydrophobicContact CD1-CG 4.19Å; Y763-E767 HydrophobicContact CD2-CG 4.42Å; Y763-E767 HydrophobicContact CE1-CG 3.67Å; Y763-E767 HydrophobicContact CE2-CG 3.88Å; Y763-E767 WeakPolarHBondContact CE2-OE1 3.4Å; Y763-E767 VanDerWaalsContact CZ-CG 3.48Å; Y763-E767 VanDerWaalsContact CZ-OE1 3.23Å; Y763-E767 WeakPolarHBondContact O-CG 3.3Å; Y763-E767 PolarHBondContact O-N 3.04Å; Y763-E767 PolarHBondContact OH-OE1 3.37Å |
| 764 | L | 89.2 | Confident | 83.5 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 19% | 0.194 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.3 | -34.3 | 177.5 | -69.3 | 170.5 | 0 | 0 | 0 | 112.7 | I756 K760 L761 Q762 S768 L818 | I756-L764 HydrophobicContact CD1-CD1 4.31Å; K760-L764 HydrophobicContact CG-CD1 4.5Å; K760-L764 WeakPolarHBondContact O-CG 3.5Å; K760-L764 PolarHBondContact O-N 3.44Å; L761-L764 PolarHBondContact O-N 2.81Å; L761-L764 VanDerWaalsContact O-N 3.12Å; Q762-L764 VanDerWaalsContact C-N 3.33Å; Q762-L764 PolarHBondContact O-N 3.37Å; L764-S768 PolarHBondContact O-N 3.44Å; L764-S768 VanDerWaalsContact O-N 3.14Å; L764-S768 PolarHBondContact O-OG 3.25Å; L764-L818 HydrophobicContact CB-CD2 3.95Å; L764-L818 HydrophobicContact CD1-CD2 4.21Å |
| 765 | F | 92.6 | Very high | 85.6 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.3 | -37.2 | 171.8 | -85.4 | -74.2 | 0 | 0 | 0 | 112.2 | F729 L761 Q762 Y763 S768 H769 I770 L778 F779 L818 W822 | F729-F765 AromaticContact CE1-CD1 3.92Å; F729-F765 HydrophobicContact CE1-CD1 3.92Å; F729-F765 HydrophobicContact CE1-CE1 4.28Å; F729-F765 HydrophobicContact CZ-CD1 4.04Å; F729-F765 AromaticContact CZ-CE1 3.92Å; F729-F765 HydrophobicContact CZ-CE1 3.92Å; L761-F765 HydrophobicContact CD1-CD2 4.05Å; L761-F765 HydrophobicContact CD1-CE2 3.69Å; L761-F765 HydrophobicContact CD2-CE2 4.28Å; L761-F765 HydrophobicContact CG-CD2 3.94Å; L761-F765 HydrophobicContact CG-CE2 3.75Å; L761-F765 VanDerWaalsContact O-CD2 3.29Å; L761-F765 WeakPolarHBondContact O-CD2 3.46Å; L761-F765 PolarHBondContact O-N 2.92Å; Q762-F765 PolarHBondContact O-N 2.87Å; Y763-F765 VanDerWaalsContact C-N 3.34Å; Y763-F765 PolarHBondContact O-N 2.94Å; F765-S768 VanDerWaalsContact CA-OG 3.29Å; F765-S768 WeakPolarHBondContact CA-OG 3.29Å; F765-S768 CarbonylContact O-C 3.59Å; F765-S768 PolarHBondContact O-N 3.06Å; F765-S768 PolarHBondContact O-OG 3.29Å; F765-H769 PolarHBondContact O-N 3.46Å; F765-I770 HydrophobicContact CB-CB 4.35Å; F765-I770 HydrophobicContact CB-CG2 3.89Å; F765-I770 HydrophobicContact CD1-CB 4.21Å; F765-I770 HydrophobicContact CD1-CD1 3.37Å; F765-I770 HydrophobicContact CD1-CG1 4.33Å; F765-I770 HydrophobicContact CE1-CD1 3.78Å; F765-I770 HydrophobicContact CG-CD1 4.21Å; F765-I770 WeakPolarHBondContact O-CG2 3.34Å; F765-I770 PolarHBondContact O-N 2.87Å; F765-I770 VanDerWaalsContact O-N 3.11Å; F765-L778 HydrophobicContact CE1-CD1 4.18Å; F765-L778 HydrophobicContact CZ-CD1 4.38Å; F765-F779 HydrophobicContact CB-CE2 4.5Å; F765-F779 AromaticContact CD2-CE2 3.89Å; F765-F779 HydrophobicContact CD2-CE2 3.89Å; F765-F779 AromaticContact CD2-CZ 3.62Å; F765-F779 HydrophobicContact CD2-CZ 3.62Å; F765-F779 HydrophobicContact CE2-CE2 4.41Å; F765-F779 AromaticContact CE2-CZ 3.96Å; F765-F779 HydrophobicContact CE2-CZ 3.96Å; F765-F779 HydrophobicContact CG-CE2 4.31Å; F765-F779 HydrophobicContact CG-CZ 4.47Å; F765-L818 HydrophobicContact CE1-CB 4.05Å; F765-L818 HydrophobicContact CE2-CB 4.3Å; F765-L818 HydrophobicContact CZ-CB 3.87Å; F765-L818 WeakPolarHBondContact CZ-O 3.37Å; F765-W822 HydrophobicContact CE2-CB 4.17Å; F765-W822 HydrophobicContact CZ-CB 4.1Å |
| 766 | D | 91.1 | Very high | 87.1 | Confident | 73 Ų | 73 | 63 Ų | 63 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.9 | -44 | 175.4 | -73.1 | -35.3 | 0 | 0 | 0 | 112.3 | Q762 Y763 S768 H769 K775 | Q762-D766 PolarHBondContact O-N 3.41Å; Y763-D766 PolarHBondContact O-N 2.97Å; D766-S768 PolarHBondContact O-N 3.4Å; D766-H769 PolarHBondContact O-N 3.03Å; D766-K775 WeakPolarHBondContact OD1-CD 3.5Å; D766-K775 VanDerWaalsContact OD1-CE 3.27Å; D766-K775 WeakPolarHBondContact OD1-CE 3.36Å; D766-K775 IonicContact OD1-NZ 3.32Å; D766-K775 PolarHBondContact OD1-NZ 3.05Å; D766-K775 IonicContact OD2-NZ 3.49Å; D766-K775 PolarHBondContact OD2-NZ 2.79Å |
| 767 | E | 87.9 | Confident | 88.3 | Confident | 114 Ų | 114 | 62.7 Ų | 62.7 | 53% | 0.533 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.1 | -24.2 | 175 | -72.3 | -78.9 | 146.4 | 0 | 0 | 112.9 | Y763 H769 | Y763-E767 HydrophobicContact CD1-CG 4.19Å; Y763-E767 HydrophobicContact CD2-CG 4.42Å; Y763-E767 HydrophobicContact CE1-CG 3.67Å; Y763-E767 HydrophobicContact CE2-CG 3.88Å; Y763-E767 WeakPolarHBondContact CE2-OE1 3.4Å; Y763-E767 VanDerWaalsContact CZ-CG 3.48Å; Y763-E767 VanDerWaalsContact CZ-OE1 3.23Å; Y763-E767 WeakPolarHBondContact O-CG 3.3Å; Y763-E767 PolarHBondContact O-N 3.04Å; Y763-E767 PolarHBondContact OH-OE1 3.37Å; E767-H769 VanDerWaalsContact C-N 3.32Å |
| 768 | S | 88.6 | Confident | 89.2 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 7.5 | 173.5 | 46.3 | 0 | 0 | 0 | 0 | 113.3 | F729 L764 F765 D766 I770 L818 | F729-S768 VanDerWaalsContact CD1-O 3.28Å; F729-S768 WeakPolarHBondContact CD1-O 3.44Å; L764-S768 PolarHBondContact O-N 3.44Å; L764-S768 VanDerWaalsContact O-N 3.14Å; L764-S768 PolarHBondContact O-OG 3.25Å; F765-S768 VanDerWaalsContact CA-OG 3.29Å; F765-S768 WeakPolarHBondContact CA-OG 3.29Å; F765-S768 CarbonylContact O-C 3.59Å; F765-S768 PolarHBondContact O-N 3.06Å; F765-S768 PolarHBondContact O-OG 3.29Å; D766-S768 PolarHBondContact O-N 3.4Å; S768-I770 PolarHBondContact O-N 3.28Å; S768-L818 WeakPolarHBondContact OG-CD1 3.36Å |
| 769 | H | 88.2 | Confident | 89.8 | Confident | 120 Ų | 120 | 55.5 Ų | 55.5 | 56% | 0.556 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 46.3 | 176.9 | -51.9 | -55.6 | 0 | 0 | 0 | 113.7 | F730 F765 D766 E767 | F730-H769 HydrophobicContact CB-CB 4.11Å; F730-H769 PolarHBondContact N-O 3.34Å; F730-H769 WeakPolarHBondContact O-CB 3.48Å; F765-H769 PolarHBondContact O-N 3.46Å; D766-H769 PolarHBondContact O-N 3.03Å; E767-H769 VanDerWaalsContact C-N 3.32Å |
| 770 | I | 92.7 | Very high | 90.1 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.046 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -58.4 | 145.4 | 173.5 | -169.8 | 159.6 | 0 | 0 | 0 | 112 | F729 F765 S768 L774 K775 L778 | F729-I770 HydrophobicContact CD1-CB 3.95Å; F729-I770 HydrophobicContact CD1-CG1 4.37Å; F729-I770 HydrophobicContact CE1-CB 3.86Å; F729-I770 HydrophobicContact CE1-CD1 4.29Å; F729-I770 HydrophobicContact CE1-CG1 4.17Å; F729-I770 HydrophobicContact CZ-CD1 4.49Å; F765-I770 HydrophobicContact CB-CB 4.35Å; F765-I770 HydrophobicContact CB-CG2 3.89Å; F765-I770 HydrophobicContact CD1-CB 4.21Å; F765-I770 HydrophobicContact CD1-CD1 3.37Å; F765-I770 HydrophobicContact CD1-CG1 4.33Å; F765-I770 HydrophobicContact CE1-CD1 3.78Å; F765-I770 HydrophobicContact CG-CD1 4.21Å; F765-I770 WeakPolarHBondContact O-CG2 3.34Å; F765-I770 PolarHBondContact O-N 2.87Å; F765-I770 VanDerWaalsContact O-N 3.11Å; S768-I770 PolarHBondContact O-N 3.28Å; I770-L774 HydrophobicContact CD1-CD2 4.07Å; I770-L774 HydrophobicContact CD1-CG 4.14Å; I770-L774 HydrophobicContact CG1-CB 4.49Å; I770-L774 HydrophobicContact CG1-CD2 4.31Å; I770-K775 HydrophobicContact CG2-CB 3.79Å; I770-K775 HydrophobicContact CG2-CD 4.12Å; I770-K775 HydrophobicContact CG2-CG 4.1Å; I770-L778 HydrophobicContact CD1-CD1 3.44Å; I770-L778 VanDerWaalsContact CD1-CD1 3.44Å |
| 771 | H | 90.7 | Very high | 90.1 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | trans | -60.6 | 128 | 173.8 | -171 | -72.8 | 0 | 0 | 0 | 111 | T727 I728 F730 S773 L774 K775 R792 | T727-H771 WeakPolarHBondContact O-CB 3.26Å; I728-H771 WeakPolarHBondContact O-CB 3.38Å; I728-H771 PolarHBondContact O-N 3.38Å; F730-H771 HydrophobicContact CE2-CB 4.36Å; F730-H771 AromaticContact CE2-CD2 3.97Å; F730-H771 AromaticContact CZ-CD2 3.39Å; F730-H771 WeakPolarHBondContact CZ-CD2 3.46Å; H771-S773 VanDerWaalsContact C-N 3.31Å; H771-S773 PolarHBondContact CE1-OG 3Å; H771-S773 WeakPolarHBondContact ND1-CB 3.22Å; H771-S773 PolarHBondContact ND1-N 3.37Å; H771-S773 VanDerWaalsContact ND1-N 3.13Å; H771-S773 PolarHBondContact O-N 3.09Å; H771-L774 HydrophobicContact CB-CB 4.35Å; H771-L774 PolarHBondContact O-N 3.17Å; H771-K775 PolarHBondContact O-N 3.22Å; H771-R792 VanDerWaalsContact CG-NH2 3.3Å; H771-R792 PolarHBondContact ND1-NH2 3.37Å | ||
| 772 | P | 87.9 | Confident | 90 | Very high | 85 Ų | 85 | 55.8 Ų | 55.8 | 55% | 0.552 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -54.4 | -41.1 | -174.7 | -29.1 | 33 | 0 | 0 | 0 | 114.5 | K775 K776 | P772-K775 PolarHBondContact O-N 3.05Å; P772-K776 PolarHBondContact O-N 3.46Å |
| 773 | S | 87.5 | Confident | 89.9 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 176.7 | -53.3 | 0 | 0 | 0 | 0 | 112.9 | H771 K776 Q777 R792 | H771-S773 VanDerWaalsContact C-N 3.31Å; H771-S773 PolarHBondContact CE1-OG 3Å; H771-S773 WeakPolarHBondContact ND1-CB 3.22Å; H771-S773 PolarHBondContact ND1-N 3.37Å; H771-S773 VanDerWaalsContact ND1-N 3.13Å; H771-S773 PolarHBondContact O-N 3.09Å; S773-K776 WeakPolarHBondContact O-CB 3.26Å; S773-K776 PolarHBondContact O-N 3.09Å; S773-Q777 WeakPolarHBondContact O-CG 3.45Å; S773-Q777 PolarHBondContact O-N 3.03Å; S773-Q777 VanDerWaalsContact O-N 3.09Å; S773-R792 VanDerWaalsContact CB-NH1 3.32Å |
| 774 | L | 92.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 177.1 | 178.7 | 62.6 | 0 | 0 | 0 | 110.8 | I728 I770 H771 K776 Q777 L778 A789 R792 L793 | I728-L774 HydrophobicContact CB-CD2 4.1Å; I728-L774 HydrophobicContact CG1-CD2 4.29Å; I728-L774 HydrophobicContact CG2-CD2 3.41Å; I728-L774 VanDerWaalsContact CG2-CD2 3.41Å; I770-L774 HydrophobicContact CD1-CD2 4.07Å; I770-L774 HydrophobicContact CD1-CG 4.14Å; I770-L774 HydrophobicContact CG1-CB 4.49Å; I770-L774 HydrophobicContact CG1-CD2 4.31Å; H771-L774 HydrophobicContact CB-CB 4.35Å; H771-L774 PolarHBondContact O-N 3.17Å; L774-K776 VanDerWaalsContact C-N 3.28Å; L774-K776 PolarHBondContact O-N 3.42Å; L774-Q777 PolarHBondContact O-N 2.99Å; L774-Q777 VanDerWaalsContact O-N 3.13Å; L774-L778 HydrophobicContact CD1-CD1 4.34Å; L774-L778 HydrophobicContact CD1-CG 4.05Å; L774-L778 HydrophobicContact CD2-CD1 4.45Å; L774-L778 HydrophobicContact CG-CD1 3.93Å; L774-L778 HydrophobicContact CG-CG 4.14Å; L774-L778 WeakPolarHBondContact O-CB 3.31Å; L774-L778 WeakPolarHBondContact O-CG 3.42Å; L774-L778 PolarHBondContact O-N 3Å; L774-A789 HydrophobicContact CD1-CB 4.12Å; L774-R792 HydrophobicContact CD1-CB 4.41Å; L774-R792 HydrophobicContact CD1-CG 4.38Å; L774-L793 HydrophobicContact CD2-CD2 4.1Å |
| 775 | K | 92.3 | Very high | 90 | Very high | 50 Ų | 50 | 56.8 Ų | 56.8 | 22% | 0.217 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.4 | -45.5 | 171.9 | -172.9 | -173.7 | 178.5 | -174.4 | 0 | 111.4 | D766 I770 H771 P772 Q777 L778 F779 | D766-K775 WeakPolarHBondContact OD1-CD 3.5Å; D766-K775 VanDerWaalsContact OD1-CE 3.27Å; D766-K775 WeakPolarHBondContact OD1-CE 3.36Å; D766-K775 IonicContact OD1-NZ 3.32Å; D766-K775 PolarHBondContact OD1-NZ 3.05Å; D766-K775 IonicContact OD2-NZ 3.49Å; D766-K775 PolarHBondContact OD2-NZ 2.79Å; I770-K775 HydrophobicContact CG2-CB 3.79Å; I770-K775 HydrophobicContact CG2-CD 4.12Å; I770-K775 HydrophobicContact CG2-CG 4.1Å; H771-K775 PolarHBondContact O-N 3.22Å; P772-K775 PolarHBondContact O-N 3.05Å; K775-Q777 VanDerWaalsContact C-N 3.3Å; K775-Q777 PolarHBondContact O-N 3.43Å; K775-L778 PolarHBondContact O-N 2.96Å; K775-F779 HydrophobicContact CG-CD2 3.84Å; K775-F779 HydrophobicContact CG-CE2 4.2Å; K775-F779 WeakPolarHBondContact O-CD2 3.33Å; K775-F779 PolarHBondContact O-N 3.38Å |
| 776 | K | 90.5 | Very high | 90.1 | Very high | 170 Ų | 170 | 56.8 Ų | 56.8 | 74% | 0.739 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.2 | -38.7 | 178 | -172.5 | -177.8 | 175.5 | -172.4 | 0 | 112.1 | P772 S773 L774 S780 | P772-K776 PolarHBondContact O-N 3.46Å; S773-K776 WeakPolarHBondContact O-CB 3.26Å; S773-K776 PolarHBondContact O-N 3.09Å; L774-K776 VanDerWaalsContact C-N 3.28Å; L774-K776 PolarHBondContact O-N 3.42Å; K776-S780 WeakPolarHBondContact O-CB 3.39Å; K776-S780 PolarHBondContact O-N 3.35Å; K776-S780 VanDerWaalsContact O-N 3.15Å |
| 777 | Q | 93.2 | Very high | 90.2 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.7 | -50.7 | 177.4 | -68.6 | 165.5 | -27.8 | 0 | 0 | 111.7 | S773 L774 K775 F779 S780 G785 E788 A789 | S773-Q777 WeakPolarHBondContact O-CG 3.45Å; S773-Q777 PolarHBondContact O-N 3.03Å; S773-Q777 VanDerWaalsContact O-N 3.09Å; L774-Q777 PolarHBondContact O-N 2.99Å; L774-Q777 VanDerWaalsContact O-N 3.13Å; K775-Q777 VanDerWaalsContact C-N 3.3Å; K775-Q777 PolarHBondContact O-N 3.43Å; Q777-F779 VanDerWaalsContact C-N 3.31Å; Q777-F779 PolarHBondContact O-N 2.79Å; Q777-S780 VanDerWaalsContact O-CB 3.28Å; Q777-S780 WeakPolarHBondContact O-CB 3.14Å; Q777-S780 PolarHBondContact O-N 3.29Å; Q777-S780 VanDerWaalsContact O-N 3.12Å; Q777-S780 PolarHBondContact O-OG 3.3Å; Q777-G785 CarbonylContact C-O 3.45Å; Q777-G785 CarbonylContact O-C 3.57Å; Q777-E788 PolarHBondContact NE2-OE1 3.26Å; Q777-E788 PolarHBondContact NE2-OE2 2.63Å; Q777-A789 HydrophobicContact CB-CB 3.76Å |
| 778 | L | 92.2 | Very high | 90.4 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56 | -42.9 | 178.2 | -73.8 | 172.5 | 0 | 0 | 0 | 112.2 | F765 I770 L774 K775 H786 A789 L793 W822 | F765-L778 HydrophobicContact CE1-CD1 4.18Å; F765-L778 HydrophobicContact CZ-CD1 4.38Å; I770-L778 HydrophobicContact CD1-CD1 3.44Å; I770-L778 VanDerWaalsContact CD1-CD1 3.44Å; L774-L778 HydrophobicContact CD1-CD1 4.34Å; L774-L778 HydrophobicContact CD1-CG 4.05Å; L774-L778 HydrophobicContact CD2-CD1 4.45Å; L774-L778 HydrophobicContact CG-CD1 3.93Å; L774-L778 HydrophobicContact CG-CG 4.14Å; L774-L778 WeakPolarHBondContact O-CB 3.31Å; L774-L778 WeakPolarHBondContact O-CG 3.42Å; L774-L778 PolarHBondContact O-N 3Å; K775-L778 PolarHBondContact O-N 2.96Å; L778-H786 PolarHBondContact O-CE1 3.46Å; L778-H786 VanDerWaalsContact O-CE1 3.23Å; L778-H786 PolarHBondContact O-ND1 3.19Å; L778-A789 HydrophobicContact CD2-CB 3.76Å; L778-A789 HydrophobicContact CG-CB 4.07Å; L778-L793 HydrophobicContact CD2-CD1 4.46Å; L778-W822 HydrophobicContact CB-CZ2 4.18Å; L778-W822 HydrophobicContact CD2-CD2 3.53Å; L778-W822 VanDerWaalsContact CD2-CE2 3.42Å; L778-W822 HydrophobicContact CD2-CE3 3.76Å; L778-W822 HydrophobicContact CD2-CG 4.17Å; L778-W822 HydrophobicContact CD2-CH2 3.81Å; L778-W822 HydrophobicContact CD2-CZ2 3.58Å; L778-W822 HydrophobicContact CD2-CZ3 3.89Å; L778-W822 HydrophobicContact CG-CZ2 4.47Å; L778-W822 VanDerWaalsContact O-CE2 3.3Å; L778-W822 VanDerWaalsContact O-CZ2 3.24Å; L778-W822 WeakPolarHBondContact O-CZ2 3.44Å; L778-W822 PolarHBondContact O-NE1 3.28Å |
| 779 | F | 93 | Very high | 90.7 | Very high | 19 Ų | 19 | 54.7 Ų | 54.7 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 19.4 | -178.9 | -62.5 | -74.9 | 0 | 0 | 0 | 113.7 | L761 Q762 F765 K775 Q777 Y826 | L761-F779 HydrophobicContact CD2-CE1 4.17Å; L761-F779 HydrophobicContact CD2-CZ 4.32Å; L761-F779 HydrophobicContact CG-CE1 4.35Å; L761-F779 HydrophobicContact CG-CZ 4.13Å; Q762-F779 HydrophobicContact CB-CZ 4.39Å; Q762-F779 HydrophobicContact CG-CD1 3.65Å; Q762-F779 HydrophobicContact CG-CD2 3.86Å; Q762-F779 HydrophobicContact CG-CE1 3.5Å; Q762-F779 HydrophobicContact CG-CE2 3.75Å; Q762-F779 HydrophobicContact CG-CG 3.82Å; Q762-F779 HydrophobicContact CG-CZ 3.56Å; F765-F779 HydrophobicContact CB-CE2 4.5Å; F765-F779 AromaticContact CD2-CE2 3.89Å; F765-F779 HydrophobicContact CD2-CE2 3.89Å; F765-F779 AromaticContact CD2-CZ 3.62Å; F765-F779 HydrophobicContact CD2-CZ 3.62Å; F765-F779 HydrophobicContact CE2-CE2 4.41Å; F765-F779 AromaticContact CE2-CZ 3.96Å; F765-F779 HydrophobicContact CE2-CZ 3.96Å; F765-F779 HydrophobicContact CG-CE2 4.31Å; F765-F779 HydrophobicContact CG-CZ 4.47Å; K775-F779 HydrophobicContact CG-CD2 3.84Å; K775-F779 HydrophobicContact CG-CE2 4.2Å; K775-F779 WeakPolarHBondContact O-CD2 3.33Å; K775-F779 PolarHBondContact O-N 3.38Å; Q777-F779 VanDerWaalsContact C-N 3.31Å; Q777-F779 PolarHBondContact O-N 2.79Å; F779-Y826 HydrophobicContact CD1-CE2 4.16Å; F779-Y826 AromaticContact CD1-CZ 3.88Å; F779-Y826 AromaticContact CE1-CE2 3.98Å; F779-Y826 HydrophobicContact CE1-CE2 3.98Å |
| 780 | S | 90 | Very high | 91 | Very high | 20 Ų | 20 | 49 Ų | 49 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | trans | -61.6 | 160.7 | 174.4 | 84 | 0 | 0 | 0 | 0 | 111.1 | K776 Q777 S782 G785 H786 | K776-S780 WeakPolarHBondContact O-CB 3.39Å; K776-S780 PolarHBondContact O-N 3.35Å; K776-S780 VanDerWaalsContact O-N 3.15Å; Q777-S780 VanDerWaalsContact O-CB 3.28Å; Q777-S780 WeakPolarHBondContact O-CB 3.14Å; Q777-S780 PolarHBondContact O-N 3.29Å; Q777-S780 VanDerWaalsContact O-N 3.12Å; Q777-S780 PolarHBondContact O-OG 3.3Å; S780-S782 VanDerWaalsContact C-N 3.34Å; S780-S782 PolarHBondContact OG-N 3.05Å; S780-S782 PolarHBondContact OG-O 3.49Å; S780-S782 PolarHBondContact OG-OG 2.83Å; S780-G785 WeakPolarHBondContact OG-CA 3.49Å; S780-H786 PolarHBondContact O-CE1 3.34Å; S780-H786 PolarHBondContact O-NE2 3Å | ||
| 781 | T | 83.6 | Confident | 91 | Very high | 143 Ų | 143 | 51.5 Ų | 51.5 | 88% | 0.877 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -92.9 | 1.1 | 174.8 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 782 | S | 86.8 | Confident | 91 | Very high | 54 Ų | 54 | 52.1 Ų | 52.1 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -116.5 | 140.1 | -172.3 | 55.4 | 0 | 0 | 0 | 0 | 110.9 | S780 E784 G785 H786 | S780-S782 VanDerWaalsContact C-N 3.34Å; S780-S782 PolarHBondContact OG-N 3.05Å; S780-S782 PolarHBondContact OG-O 3.49Å; S780-S782 PolarHBondContact OG-OG 2.83Å; S782-E784 PolarHBondContact O-N 3.37Å; S782-G785 PolarHBondContact O-N 2.9Å; S782-G785 PolarHBondContact OG-N 2.86Å; S782-H786 PolarHBondContact O-CD2 3.48Å; S782-H786 PolarHBondContact O-N 3.4Å |
| 783 | Y | 88.3 | Confident | 91.3 | Very high | 51 Ų | 51 | 48.2 Ų | 48.2 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57 | -35.9 | 173.2 | -60.7 | -75.6 | 0 | 0 | 0 | 112.8 | H786 L787 N843 C844 V847 | Y783-H786 PolarHBondContact O-N 2.74Å; Y783-L787 PolarHBondContact O-N 3.04Å; Y783-N843 HydrophobicContact CD1-CB 4.19Å; Y783-N843 HydrophobicContact CD2-CB 3.66Å; Y783-N843 HydrophobicContact CE2-CB 4.17Å; Y783-N843 HydrophobicContact CG-CB 3.67Å; Y783-C844 HydrophobicContact CE1-CB 4.37Å; Y783-V847 HydrophobicContact CD1-CG2 4.13Å |
| 784 | E | 89.8 | Confident | 91.5 | Very high | 159 Ų | 159 | 46.1 Ų | 46.1 | 74% | 0.743 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60.4 | -45.6 | 176.8 | -172 | 175.3 | -173 | 0 | 0 | 112.2 | S782 H786 L787 E788 | S782-E784 PolarHBondContact O-N 3.37Å; E784-H786 VanDerWaalsContact C-N 3.29Å; E784-H786 PolarHBondContact O-N 3.35Å; E784-L787 WeakPolarHBondContact O-CB 3.23Å; E784-L787 PolarHBondContact O-N 2.86Å; E784-E788 PolarHBondContact O-N 2.87Å |
| 785 | G | 91.3 | Very high | 91.4 | Very high | 7 Ų | 7 | 49 Ų | 49 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.8 | -30.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q777 S780 S782 A789 | Q777-G785 CarbonylContact C-O 3.45Å; Q777-G785 CarbonylContact O-C 3.57Å; S780-G785 WeakPolarHBondContact OG-CA 3.49Å; S782-G785 PolarHBondContact O-N 2.9Å; S782-G785 PolarHBondContact OG-N 2.86Å; G785-A789 PolarHBondContact O-N 2.94Å |
| 786 | H | 93.3 | Very high | 91 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.8 | -38.1 | 172.7 | -61 | -43.8 | 0 | 0 | 0 | 112.5 | L778 S780 S782 Y783 E784 A789 L790 W822 Y826 Y830 V847 | L778-H786 PolarHBondContact O-CE1 3.46Å; L778-H786 VanDerWaalsContact O-CE1 3.23Å; L778-H786 PolarHBondContact O-ND1 3.19Å; S780-H786 PolarHBondContact O-CE1 3.34Å; S780-H786 PolarHBondContact O-NE2 3Å; S782-H786 PolarHBondContact O-CD2 3.48Å; S782-H786 PolarHBondContact O-N 3.4Å; Y783-H786 PolarHBondContact O-N 2.74Å; E784-H786 VanDerWaalsContact C-N 3.29Å; E784-H786 PolarHBondContact O-N 3.35Å; H786-A789 WeakPolarHBondContact O-CB 3.48Å; H786-A789 PolarHBondContact O-N 3.4Å; H786-L790 WeakPolarHBondContact O-CG 3.43Å; H786-L790 PolarHBondContact O-N 3.45Å; H786-W822 HydrophobicContact CB-CH2 4.31Å; H786-W822 HydrophobicContact CB-CZ2 4.46Å; H786-W822 AromaticContact ND1-CZ2 3.64Å; H786-Y826 AromaticContact CE1-CD1 3.8Å; H786-Y830 AromaticContact NE2-CE2 3.78Å; H786-V847 HydrophobicContact CB-CG1 4.37Å; H786-V847 HydrophobicContact CB-CG2 4.36Å |
| 787 | L | 93.5 | Very high | 90.7 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 25% | 0.251 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.4 | -46 | 172.6 | -73.5 | 170.2 | 0 | 0 | 0 | 110.9 | Y783 E784 A789 L790 D791 A846 V847 R850 | Y783-L787 PolarHBondContact O-N 3.04Å; E784-L787 WeakPolarHBondContact O-CB 3.23Å; E784-L787 PolarHBondContact O-N 2.86Å; L787-A789 VanDerWaalsContact C-N 3.26Å; L787-A789 PolarHBondContact O-N 3.42Å; L787-L790 PolarHBondContact O-N 2.84Å; L787-L790 VanDerWaalsContact O-N 3.1Å; L787-D791 PolarHBondContact O-N 2.96Å; L787-A846 HydrophobicContact CD1-CB 4.44Å; L787-V847 HydrophobicContact CD2-CG2 4.1Å; L787-V847 HydrophobicContact CG-CG2 3.93Å; L787-R850 HydrophobicContact CD2-CB 3.87Å; L787-R850 HydrophobicContact CD2-CG 4.27Å |
| 788 | E | 93 | Very high | 89.8 | Confident | 107 Ų | 107 | 45.1 Ų | 45.1 | 50% | 0.5 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.4 | -37.4 | 176.9 | -160.8 | -171.9 | 173.9 | 0 | 0 | 111.7 | Q777 E784 R792 | Q777-E788 PolarHBondContact NE2-OE1 3.26Å; Q777-E788 PolarHBondContact NE2-OE2 2.63Å; E784-E788 PolarHBondContact O-N 2.87Å; E788-R792 WeakPolarHBondContact O-CB 3.44Å; E788-R792 PolarHBondContact O-N 3.49Å |
| 789 | A | 94.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L774 Q777 L778 G785 H786 L787 R792 L793 | L774-A789 HydrophobicContact CD1-CB 4.12Å; Q777-A789 HydrophobicContact CB-CB 3.76Å; L778-A789 HydrophobicContact CD2-CB 3.76Å; L778-A789 HydrophobicContact CG-CB 4.07Å; G785-A789 PolarHBondContact O-N 2.94Å; H786-A789 WeakPolarHBondContact O-CB 3.48Å; H786-A789 PolarHBondContact O-N 3.4Å; L787-A789 VanDerWaalsContact C-N 3.26Å; L787-A789 PolarHBondContact O-N 3.42Å; A789-R792 PolarHBondContact O-N 3.01Å; A789-L793 WeakPolarHBondContact O-CG 3.03Å; A789-L793 PolarHBondContact O-N 3Å |
| 790 | L | 95 | Very high | 86.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 178.6 | -72.9 | 167.3 | 0 | 0 | 0 | 111.7 | H786 L787 R792 L793 I794 W822 V847 R850 A851 | H786-L790 WeakPolarHBondContact O-CG 3.43Å; H786-L790 PolarHBondContact O-N 3.45Å; L787-L790 PolarHBondContact O-N 2.84Å; L787-L790 VanDerWaalsContact O-N 3.1Å; L790-R792 VanDerWaalsContact C-N 3.32Å; L790-R792 PolarHBondContact O-N 3.03Å; L790-L793 PolarHBondContact O-N 2.87Å; L790-I794 VanDerWaalsContact O-CG1 3.31Å; L790-I794 WeakPolarHBondContact O-CG1 3.44Å; L790-I794 PolarHBondContact O-N 3.42Å; L790-W822 HydrophobicContact CD2-CZ3 4.04Å; L790-W822 HydrophobicContact CG-CH2 4.43Å; L790-W822 HydrophobicContact CG-CZ3 4.28Å; L790-V847 HydrophobicContact CD1-CG1 4.24Å; L790-R850 HydrophobicContact CB-CG 3.89Å; L790-R850 HydrophobicContact CD1-CB 4Å; L790-R850 HydrophobicContact CD1-CG 4.25Å; L790-A851 HydrophobicContact CD1-CB 4.21Å; L790-A851 HydrophobicContact CD2-CB 4.37Å |
| 791 | D | 93.5 | Very high | 85.3 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 175 | -73.9 | -29 | 0 | 0 | 0 | 111.8 | L787 I794 S795 R850 | L787-D791 PolarHBondContact O-N 2.96Å; D791-I794 PolarHBondContact O-N 3.09Å; D791-S795 WeakPolarHBondContact O-CB 3.48Å; D791-S795 PolarHBondContact O-N 2.96Å; D791-S795 PolarHBondContact O-OG 3.26Å; D791-R850 IonicContact OD1-CZ 2.79Å; D791-R850 IonicContact OD1-NE 3.32Å; D791-R850 PolarHBondContact OD1-NE 3.33Å; D791-R850 IonicContact OD1-NH2 3.13Å; D791-R850 PolarHBondContact OD1-NH2 3.05Å |
| 792 | R | 91.1 | Very high | 83.8 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 175.1 | -177.1 | 170 | 173.4 | 165.5 | 3.9 | 112 | S725 T727 H771 S773 L774 E788 A789 L790 S795 S796 | S725-R792 PolarHBondContact O-NE 2.92Å; S725-R792 PolarHBondContact O-NH2 2.85Å; T727-R792 PolarHBondContact O-NH2 3.05Å; H771-R792 VanDerWaalsContact CG-NH2 3.3Å; H771-R792 PolarHBondContact ND1-NH2 3.37Å; S773-R792 VanDerWaalsContact CB-NH1 3.32Å; L774-R792 HydrophobicContact CD1-CB 4.41Å; L774-R792 HydrophobicContact CD1-CG 4.38Å; E788-R792 WeakPolarHBondContact O-CB 3.44Å; E788-R792 PolarHBondContact O-N 3.49Å; A789-R792 PolarHBondContact O-N 3.01Å; L790-R792 VanDerWaalsContact C-N 3.32Å; L790-R792 PolarHBondContact O-N 3.03Å; R792-S795 PolarHBondContact O-N 3.49Å; R792-S796 PolarHBondContact O-N 2.92Å |
| 793 | L | 93.3 | Very high | 82.4 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 174.4 | -72.2 | 176.2 | 0 | 0 | 0 | 111 | I728 L774 L778 A789 L790 S796 I819 Y854 | I728-L793 HydrophobicContact CD1-CD2 3.7Å; I728-L793 HydrophobicContact CG1-CD2 4.26Å; I728-L793 HydrophobicContact CG2-CD2 4.09Å; L774-L793 HydrophobicContact CD2-CD2 4.1Å; L778-L793 HydrophobicContact CD2-CD1 4.46Å; A789-L793 WeakPolarHBondContact O-CG 3.03Å; A789-L793 PolarHBondContact O-N 3Å; L790-L793 PolarHBondContact O-N 2.87Å; L793-S796 PolarHBondContact O-N 3.46Å; L793-S796 PolarHBondContact O-OG 3.45Å; L793-I819 HydrophobicContact CD1-CG2 4.16Å; L793-I819 HydrophobicContact CD2-CD1 4.35Å; L793-Y854 HydrophobicContact CB-CD2 3.79Å; L793-Y854 HydrophobicContact CB-CE2 3.61Å; L793-Y854 HydrophobicContact CD1-CE2 4.45Å; L793-Y854 HydrophobicContact CG-CE2 4.5Å |
| 794 | I | 92 | Very high | 81.2 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 8% | 0.077 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 177.3 | -68.8 | 167.4 | 0 | 0 | 0 | 111.2 | L790 D791 S796 L797 H798 R850 E853 Y854 | L790-I794 VanDerWaalsContact O-CG1 3.31Å; L790-I794 WeakPolarHBondContact O-CG1 3.44Å; L790-I794 PolarHBondContact O-N 3.42Å; D791-I794 PolarHBondContact O-N 3.09Å; I794-S796 VanDerWaalsContact C-N 3.28Å; I794-S796 PolarHBondContact O-N 3.29Å; I794-L797 WeakPolarHBondContact O-CB 3.32Å; I794-L797 PolarHBondContact O-N 3.36Å; I794-L797 VanDerWaalsContact O-N 3.13Å; I794-H798 PolarHBondContact O-CE1 3.48Å; I794-H798 PolarHBondContact O-ND1 2.95Å; I794-R850 HydrophobicContact CD1-CG 4.29Å; I794-E853 HydrophobicContact CD1-CB 4.41Å; I794-Y854 HydrophobicContact CG1-CD2 3.87Å; I794-Y854 HydrophobicContact CG1-CG 4.34Å |
| 795 | S | 89.1 | Confident | 80.1 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 44% | 0.441 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 179.9 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | D791 R792 L797 H798 | D791-S795 WeakPolarHBondContact O-CB 3.48Å; D791-S795 PolarHBondContact O-N 2.96Å; D791-S795 PolarHBondContact O-OG 3.26Å; R792-S795 PolarHBondContact O-N 3.49Å; S795-L797 PolarHBondContact O-N 3.38Å; S795-H798 PolarHBondContact O-N 3.44Å |
| 796 | S | 84.2 | Confident | 79.3 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -27 | 177.9 | 80.4 | 0 | 0 | 0 | 0 | 114.2 | I728 R792 L793 I794 H798 R799 | I728-S796 WeakPolarHBondContact CD1-OG 3.2Å; R792-S796 PolarHBondContact O-N 2.92Å; L793-S796 PolarHBondContact O-N 3.46Å; L793-S796 PolarHBondContact O-OG 3.45Å; I794-S796 VanDerWaalsContact C-N 3.28Å; I794-S796 PolarHBondContact O-N 3.29Å; S796-H798 VanDerWaalsContact C-N 3.28Å; S796-H798 PolarHBondContact O-N 3.36Å; S796-R799 WeakPolarHBondContact O-CB 3.26Å; S796-R799 PolarHBondContact O-N 2.88Å |
| 797 | L | 83.8 | Confident | 78.7 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 11% | 0.105 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.6 | -23.8 | 179.6 | -64.8 | 176.7 | 0 | 0 | 0 | 112.5 | I794 S795 R799 T812 Y854 A857 V858 L861 | I794-L797 WeakPolarHBondContact O-CB 3.32Å; I794-L797 PolarHBondContact O-N 3.36Å; I794-L797 VanDerWaalsContact O-N 3.13Å; S795-L797 PolarHBondContact O-N 3.38Å; L797-R799 PolarHBondContact O-N 3.42Å; L797-T812 HydrophobicContact CD2-CG2 4.13Å; L797-Y854 HydrophobicContact CD1-CD2 4.01Å; L797-Y854 HydrophobicContact CD1-CE2 3.84Å; L797-Y854 HydrophobicContact CG-CE2 4.37Å; L797-A857 HydrophobicContact CD1-CB 3.92Å; L797-V858 HydrophobicContact CD1-CB 3.88Å; L797-V858 HydrophobicContact CD1-CG2 4.39Å; L797-V858 HydrophobicContact CD2-CB 4.38Å; L797-V858 HydrophobicContact CD2-CG2 3.99Å; L797-L861 HydrophobicContact CB-CD1 3.7Å; L797-L861 HydrophobicContact CD1-CD1 4.29Å; L797-L861 HydrophobicContact CD2-CD1 4.12Å; L797-L861 HydrophobicContact CG-CD1 4.25Å |
| 798 | H | 75.1 | Confident | 78.2 | Confident | 136 Ų | 136 | 57.3 Ų | 57.3 | 63% | 0.63 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 2.5 | -178.2 | -63.8 | 84.5 | 0 | 0 | 0 | 113.1 | I794 S795 S796 K800 | I794-H798 PolarHBondContact O-CE1 3.48Å; I794-H798 PolarHBondContact O-ND1 2.95Å; S795-H798 PolarHBondContact O-N 3.44Å; S796-H798 VanDerWaalsContact C-N 3.28Å; S796-H798 PolarHBondContact O-N 3.36Å; H798-K800 PolarHBondContact O-N 2.82Å |
| 799 | R | 68.2 | Low | 77.9 | Confident | 91 Ų | 91 | 53.3 Ų | 53.3 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | trans | -70 | 114.4 | -175.2 | -162.3 | 174.9 | 156.4 | -169.1 | -5.8 | 110.9 | S796 L797 D801 P808 | S796-R799 WeakPolarHBondContact O-CB 3.26Å; S796-R799 PolarHBondContact O-N 2.88Å; L797-R799 PolarHBondContact O-N 3.42Å; R799-D801 VanDerWaalsContact C-N 3.26Å; R799-D801 HydrophobicContact CG-CB 4.18Å; R799-D801 IonicContact CZ-OD2 3.09Å; R799-D801 VanDerWaalsContact CZ-OD2 3.29Å; R799-D801 IonicContact NE-OD2 3.71Å; R799-D801 PolarHBondContact NE-OD2 2.94Å; R799-D801 IonicContact NH2-OD2 3.71Å; R799-D801 PolarHBondContact NH2-OD2 2.94Å; R799-D801 PolarHBondContact O-N 3.01Å; R799-P808 HydrophobicContact CG-CG 4.41Å | ||
| 800 | K | 56.5 | Low | 77.6 | Confident | 194 Ų | 194 | 54.7 Ų | 54.7 | 84% | 0.843 | 29% | 0.285 | S | S | * | . | trans | -80.9 | 6.1 | 178.7 | -66.9 | -171.7 | 179.7 | -177.3 | 0 | 114.3 | H798 T802 | H798-K800 PolarHBondContact O-N 2.82Å; K800-T802 VanDerWaalsContact C-N 3.33Å; K800-T802 PolarHBondContact O-N 2.87Å | ||
| 801 | D | 55.2 | Low | 77.3 | Confident | 76 Ų | 76 | 55.5 Ų | 55.5 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | trans | -65.6 | 89.3 | 179.5 | -84.8 | -24.2 | 0 | 0 | 0 | 111.4 | R799 N803 | R799-D801 VanDerWaalsContact C-N 3.26Å; R799-D801 HydrophobicContact CG-CB 4.18Å; R799-D801 IonicContact CZ-OD2 3.09Å; R799-D801 VanDerWaalsContact CZ-OD2 3.29Å; R799-D801 IonicContact NE-OD2 3.71Å; R799-D801 PolarHBondContact NE-OD2 2.94Å; R799-D801 IonicContact NH2-OD2 3.71Å; R799-D801 PolarHBondContact NH2-OD2 2.94Å; R799-D801 PolarHBondContact O-N 3.01Å; D801-N803 PolarHBondContact O-N 2.78Å | ||
| 802 | T | 53.8 | Low | 77.2 | Confident | 88 Ų | 88 | 52.8 Ų | 52.8 | 54% | 0.54 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -11.2 | 175.5 | 50.3 | 0 | 0 | 0 | 0 | 113.2 | K800 | K800-T802 VanDerWaalsContact C-N 3.33Å; K800-T802 PolarHBondContact O-N 2.87Å |
| 803 | N | 55.4 | Low | 77.3 | Confident | 132 Ų | 132 | 52.8 Ų | 52.8 | 71% | 0.706 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -11.4 | -171.8 | -64.3 | -12.2 | 0 | 0 | 0 | 113.9 | D801 | D801-N803 PolarHBondContact O-N 2.78Š|
| 804 | A | 63.6 | Low | 77.1 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 29% | 0.289 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -78.6 | 132.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P806 S807 | A804-P806 CarbonylContact C-O 3.54Å; A804-P806 CarbonylContact O-C 3.54Å; A804-P806 VanDerWaalsContact O-C 3.25Å; A804-S807 WeakPolarHBondContact O-CA 3.32Å; A804-S807 PolarHBondContact O-N 2.95Å |
| 805 | I | 66.5 | Low | 77.2 | Confident | 95 Ų | 95 | 52.3 Ų | 52.3 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -125.2 | 110.8 | 177.2 | -52.5 | 173.2 | 0 | 0 | 0 | 107.8 | S733 N734 | S733-I805 WeakPolarHBondContact CA-O 3.13Å; N734-I805 PolarHBondContact N-O 2.82Å; N734-I805 VanDerWaalsContact N-O 3.09Å; N734-I805 WeakPolarHBondContact OD1-CG2 3.41Å |
| 806 | P | 76 | Confident | 77.5 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 7% | 0.071 | 25% | 0.252 | C | S | . | . | S | Bend | cis | -67.9 | 151.3 | 1.8 | -19.9 | 33.3 | 0 | 0 | 0 | 114.2 | V731 E736 A804 I810 V811 | V731-P806 HydrophobicContact CG1-CG 4.07Å; E736-P806 HydrophobicContact CG-CB 3.67Å; E736-P806 HydrophobicContact CG-CG 3.79Å; E736-P806 WeakPolarHBondContact OE1-CA 3.36Å; A804-P806 CarbonylContact C-O 3.54Å; A804-P806 CarbonylContact O-C 3.54Å; A804-P806 VanDerWaalsContact O-C 3.25Å; P806-I810 HydrophobicContact CB-CG2 4.31Å; P806-V811 HydrophobicContact CB-CG2 3.84Å; P806-V811 HydrophobicContact CG-CG2 4.45Å |
| 807 | S | 80.2 | Confident | 77.9 | Confident | 15 Ų | 15 | 49 Ų | 49 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | trans | -65.9 | 149.4 | 173.1 | 72.8 | 0 | 0 | 0 | 0 | 111.6 | A804 L809 I810 V811 | A804-S807 WeakPolarHBondContact O-CA 3.32Å; A804-S807 PolarHBondContact O-N 2.95Å; S807-L809 PolarHBondContact O-N 3.32Å; S807-L809 VanDerWaalsContact O-N 3.09Å; S807-I810 PolarHBondContact O-N 3.4Å; S807-I810 VanDerWaalsContact OG-CG1 3.3Å; S807-I810 WeakPolarHBondContact OG-CG1 3.39Å; S807-I810 PolarHBondContact OG-N 3.21Å; S807-V811 PolarHBondContact O-N 3.11Å | ||
| 808 | P | 82.3 | Confident | 78.3 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 16% | 0.162 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.2 | -33.2 | 179.6 | -26.8 | 34.2 | 0 | 0 | 0 | 114 | R799 V811 T812 | R799-P808 HydrophobicContact CG-CG 4.41Å; P808-V811 PolarHBondContact O-N 2.8Å; P808-T812 WeakPolarHBondContact O-CB 3.48Å; P808-T812 PolarHBondContact O-N 3.11Å; P808-T812 PolarHBondContact O-OG1 2.84Å |
| 809 | L | 86.8 | Confident | 79.3 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.115 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68 | -41.7 | 176.4 | -176.9 | 65.4 | 0 | 0 | 0 | 112.1 | S807 T812 Y813 L861 F862 N865 L867 | S807-L809 PolarHBondContact O-N 3.32Å; S807-L809 VanDerWaalsContact O-N 3.09Å; L809-T812 WeakPolarHBondContact O-CB 3.26Å; L809-T812 PolarHBondContact O-N 3.46Å; L809-Y813 WeakPolarHBondContact O-CB 3.33Å; L809-Y813 PolarHBondContact O-N 3.05Å; L809-L861 HydrophobicContact CD1-CB 3.92Å; L809-L861 HydrophobicContact CD1-CD1 4.5Å; L809-F862 HydrophobicContact CD1-CD1 3.88Å; L809-F862 HydrophobicContact CD1-CE1 3.76Å; L809-F862 HydrophobicContact CG-CD1 4.5Å; L809-F862 HydrophobicContact CG-CE1 4.47Å; L809-N865 HydrophobicContact CD2-CB 3.87Å; L809-N865 WeakPolarHBondContact CD2-ND2 3.5Å; L809-L867 HydrophobicContact CD2-CD1 4.37Å; L809-L867 HydrophobicContact CG-CD1 4.33Å |
| 810 | I | 87.6 | Confident | 80.4 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 15% | 0.154 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.5 | -39 | 176.8 | -66.5 | -65.5 | 0 | 0 | 0 | 110.6 | E736 P806 S807 T812 Y813 A814 L867 | E736-I810 HydrophobicContact CG-CG2 4.32Å; P806-I810 HydrophobicContact CB-CG2 4.31Å; S807-I810 PolarHBondContact O-N 3.4Å; S807-I810 VanDerWaalsContact OG-CG1 3.3Å; S807-I810 WeakPolarHBondContact OG-CG1 3.39Å; S807-I810 PolarHBondContact OG-N 3.21Å; I810-T812 VanDerWaalsContact C-N 3.31Å; I810-T812 PolarHBondContact O-N 3.43Å; I810-Y813 PolarHBondContact O-N 3.22Å; I810-A814 VanDerWaalsContact O-CB 3.25Å; I810-A814 WeakPolarHBondContact O-CB 3.39Å; I810-A814 PolarHBondContact O-N 3.48Å; I810-L867 HydrophobicContact CD1-CD1 4.21Å; I810-L867 HydrophobicContact CD1-CD2 4.2Å |
| 811 | V | 88.8 | Confident | 82 | Confident | 17 Ų | 17 | 29 Ų | 29 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 172.4 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | F729 V731 L739 P806 S807 P808 A814 H815 | F729-V811 HydrophobicContact CB-CG1 3.91Å; F729-V811 HydrophobicContact CD2-CG1 4.17Å; F729-V811 HydrophobicContact CG-CG1 4.48Å; V731-V811 HydrophobicContact CG2-CG1 3.85Å; V731-V811 HydrophobicContact CG2-CG2 4.16Å; L739-V811 HydrophobicContact CD2-CG2 4.39Å; P806-V811 HydrophobicContact CB-CG2 3.84Å; P806-V811 HydrophobicContact CG-CG2 4.45Å; S807-V811 PolarHBondContact O-N 3.11Å; P808-V811 PolarHBondContact O-N 2.8Å; V811-A814 PolarHBondContact O-N 3.41Å; V811-H815 PolarHBondContact O-N 3.43Å; V811-H815 PolarHBondContact O-ND1 3.17Å |
| 812 | T | 91.9 | Very high | 83.8 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.2 | -49 | 176.1 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | L797 P808 L809 I810 A814 H815 F816 I819 V858 F862 | L797-T812 HydrophobicContact CD2-CG2 4.13Å; P808-T812 WeakPolarHBondContact O-CB 3.48Å; P808-T812 PolarHBondContact O-N 3.11Å; P808-T812 PolarHBondContact O-OG1 2.84Å; L809-T812 WeakPolarHBondContact O-CB 3.26Å; L809-T812 PolarHBondContact O-N 3.46Å; I810-T812 VanDerWaalsContact C-N 3.31Å; I810-T812 PolarHBondContact O-N 3.43Å; T812-A814 VanDerWaalsContact C-N 3.32Å; T812-A814 PolarHBondContact O-N 2.9Å; T812-H815 CarbonylContact O-C 3.51Å; T812-H815 PolarHBondContact O-N 3.07Å; T812-H815 VanDerWaalsContact O-N 3.15Å; T812-F816 WeakPolarHBondContact O-CA 3.36Å; T812-F816 PolarHBondContact O-N 3.26Å; T812-I819 HydrophobicContact CG2-CD1 4.4Å; T812-V858 HydrophobicContact CG2-CG2 4.01Å; T812-F862 HydrophobicContact CG2-CZ 4.45Å |
| 813 | Y | 92.5 | Very high | 85.6 | Confident | 31 Ų | 31 | 21.3 Ų | 21.3 | 12% | 0.122 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 179.3 | 178.9 | -104.1 | 0 | 0 | 0 | 112.2 | L740 K743 L809 I810 H815 F816 F862 L867 R868 | L740-Y813 HydrophobicContact CD2-CD1 3.74Å; L740-Y813 HydrophobicContact CD2-CE1 3.91Å; K743-Y813 HydrophobicContact CD-CE1 4.49Å; K743-Y813 WeakPolarHBondContact CD-O 3.37Å; K743-Y813 WeakPolarHBondContact CE-O 3.32Å; K743-Y813 PolarHBondContact NZ-O 3.01Å; L809-Y813 WeakPolarHBondContact O-CB 3.33Å; L809-Y813 PolarHBondContact O-N 3.05Å; I810-Y813 PolarHBondContact O-N 3.22Å; Y813-H815 PolarHBondContact O-N 2.93Å; Y813-F816 WeakPolarHBondContact O-CB 3.24Å; Y813-F816 PolarHBondContact O-N 3.33Å; Y813-F862 HydrophobicContact CD2-CD1 4.09Å; Y813-F862 HydrophobicContact CD2-CD2 4.09Å; Y813-F862 AromaticContact CD2-CE1 3.87Å; Y813-F862 HydrophobicContact CD2-CE1 3.87Å; Y813-F862 AromaticContact CD2-CE2 3.87Å; Y813-F862 HydrophobicContact CD2-CE2 3.87Å; Y813-F862 HydrophobicContact CD2-CG 4.21Å; Y813-F862 AromaticContact CD2-CZ 3.75Å; Y813-F862 HydrophobicContact CD2-CZ 3.75Å; Y813-F862 HydrophobicContact CG-CE1 4.23Å; Y813-F862 HydrophobicContact CG-CZ 4.3Å; Y813-L867 HydrophobicContact CD1-CD1 4.45Å; Y813-L867 HydrophobicContact CD1-CD2 4Å; Y813-L867 HydrophobicContact CD2-CB 3.77Å; Y813-L867 HydrophobicContact CD2-CD1 4.05Å; Y813-L867 HydrophobicContact CD2-CD2 4.44Å; Y813-L867 HydrophobicContact CD2-CG 4.3Å; Y813-L867 HydrophobicContact CE1-CD2 3.99Å; Y813-L867 HydrophobicContact CE2-CB 3.68Å; Y813-L867 HydrophobicContact CE2-CD2 4.44Å; Y813-L867 HydrophobicContact CE2-CG 4.48Å; Y813-L867 HydrophobicContact CG-CB 4.34Å; Y813-L867 HydrophobicContact CG-CD1 3.9Å; Y813-L867 HydrophobicContact CG-CD2 4.22Å; Y813-L867 HydrophobicContact CG-CG 4.38Å; Y813-R868 PolarHBondContact OH-O 3.45Å |
| 814 | A | 90.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.1 | -18.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L739 L740 K743 R746 I810 V811 T812 | L739-A814 HydrophobicContact CB-CB 4.18Å; L739-A814 HydrophobicContact CD2-CB 3.3Å; L739-A814 HydrophobicContact CG-CB 3.47Å; L739-A814 VanDerWaalsContact CG-CB 3.47Å; L740-A814 HydrophobicContact CD2-CB 4.16Å; K743-A814 WeakPolarHBondContact CB-O 3.31Å; R746-A814 PolarHBondContact NH2-O 2.5Å; I810-A814 VanDerWaalsContact O-CB 3.25Å; I810-A814 WeakPolarHBondContact O-CB 3.39Å; I810-A814 PolarHBondContact O-N 3.48Å; V811-A814 PolarHBondContact O-N 3.41Å; T812-A814 VanDerWaalsContact C-N 3.32Å; T812-A814 PolarHBondContact O-N 2.9Å |
| 815 | H | 93.5 | Very high | 88 | Confident | 6 Ų | 6 | 19.8 Ų | 19.8 | 3% | 0.028 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 10.2 | 177 | -61.1 | 96.6 | 0 | 0 | 0 | 113.3 | F729 V811 T812 Y813 D817 L818 I819 | F729-H815 HydrophobicContact CD2-CB 3.99Å; F729-H815 AromaticContact CD2-CG 3.86Å; F729-H815 AromaticContact CD2-ND1 3.77Å; F729-H815 HydrophobicContact CE1-CB 4.29Å; F729-H815 HydrophobicContact CE2-CB 3.39Å; F729-H815 AromaticContact CE2-CG 3.72Å; F729-H815 AromaticContact CG-ND1 3.98Å; F729-H815 HydrophobicContact CZ-CB 3.56Å; F729-H815 AromaticContact CZ-CG 3.86Å; V811-H815 PolarHBondContact O-N 3.43Å; V811-H815 PolarHBondContact O-ND1 3.17Å; T812-H815 CarbonylContact O-C 3.51Å; T812-H815 PolarHBondContact O-N 3.07Å; T812-H815 VanDerWaalsContact O-N 3.15Å; Y813-H815 PolarHBondContact O-N 2.93Å; H815-D817 VanDerWaalsContact C-OD1 3.32Å; H815-D817 PolarHBondContact O-N 2.79Å; H815-L818 PolarHBondContact O-N 2.72Å; H815-L818 VanDerWaalsContact O-N 3.08Å; H815-I819 PolarHBondContact O-N 2.73Å |
| 816 | F | 95.2 | Very high | 89 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.2 | -31.5 | -174.5 | -170.5 | -120.9 | 0 | 0 | 0 | 112.5 | T812 Y813 L818 I819 L820 Y854 L855 V858 F862 L869 | T812-F816 WeakPolarHBondContact O-CA 3.36Å; T812-F816 PolarHBondContact O-N 3.26Å; Y813-F816 WeakPolarHBondContact O-CB 3.24Å; Y813-F816 PolarHBondContact O-N 3.33Å; F816-L818 VanDerWaalsContact C-N 3.33Å; F816-L818 PolarHBondContact O-N 3.34Å; F816-I819 PolarHBondContact O-N 3.35Å; F816-L820 HydrophobicContact CD1-CD1 3.59Å; F816-L820 HydrophobicContact CD1-CG 3.96Å; F816-L820 HydrophobicContact CD2-CG 4.42Å; F816-L820 HydrophobicContact CE1-CD1 3.37Å; F816-L820 HydrophobicContact CE1-CD2 3.99Å; F816-L820 HydrophobicContact CE1-CG 3.69Å; F816-L820 HydrophobicContact CE2-CD2 4.2Å; F816-L820 HydrophobicContact CE2-CG 4.14Å; F816-L820 HydrophobicContact CG-CD1 4.39Å; F816-L820 HydrophobicContact CG-CG 4.33Å; F816-L820 HydrophobicContact CZ-CD1 3.98Å; F816-L820 HydrophobicContact CZ-CD2 3.69Å; F816-L820 HydrophobicContact CZ-CG 3.78Å; F816-L820 WeakPolarHBondContact O-CB 3.3Å; F816-L820 VanDerWaalsContact O-CG 3.3Å; F816-L820 WeakPolarHBondContact O-CG 3.38Å; F816-L820 PolarHBondContact O-N 2.99Å; F816-Y854 HydrophobicContact CE2-CE1 4.26Å; F816-L855 HydrophobicContact CZ-CD2 4.2Å; F816-V858 HydrophobicContact CD2-CG2 4.42Å; F816-V858 HydrophobicContact CE2-CG1 3.56Å; F816-V858 HydrophobicContact CE2-CG2 4.17Å; F816-V858 HydrophobicContact CZ-CG1 3.91Å; F816-F862 HydrophobicContact CB-CE2 4.29Å; F816-F862 HydrophobicContact CB-CZ 4.27Å; F816-F862 AromaticContact CD1-CE2 3.71Å; F816-F862 HydrophobicContact CD1-CE2 3.71Å; F816-F862 HydrophobicContact CD1-CZ 4.49Å; F816-F862 AromaticContact CD2-CE2 3.88Å; F816-F862 HydrophobicContact CD2-CE2 3.88Å; F816-F862 HydrophobicContact CD2-CZ 4.08Å; F816-F862 AromaticContact CE1-CE2 3.89Å; F816-F862 HydrophobicContact CE1-CE2 3.89Å; F816-F862 HydrophobicContact CE2-CE2 4.09Å; F816-F862 AromaticContact CG-CE2 3.69Å; F816-F862 HydrophobicContact CG-CE2 3.69Å; F816-F862 HydrophobicContact CG-CZ 4.04Å; F816-F862 HydrophobicContact CZ-CE2 4.09Å; F816-L869 HydrophobicContact CD1-CD2 3.72Å; F816-L869 HydrophobicContact CE1-CD1 4.32Å; F816-L869 HydrophobicContact CE1-CD2 3.55Å |
| 817 | D | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -56.1 | -44.8 | 172.5 | 60.6 | -43.1 | 0 | 0 | 0 | 112.2 | R746 L747 L750 H815 L820 I821 | R746-D817 WeakPolarHBondContact CB-OD2 3.42Å; R746-D817 IonicContact CZ-OD1 3.41Å; R746-D817 IonicContact CZ-OD2 2.81Å; R746-D817 IonicContact NE-OD1 2.79Å; R746-D817 IonicContact NE-OD2 2.69Å; R746-D817 PolarHBondContact NE-OD2 3.29Å; R746-D817 IonicContact NH2-OD1 3.25Å; R746-D817 PolarHBondContact NH2-OD1 3.22Å; R746-D817 IonicContact NH2-OD2 3.14Å; R746-D817 PolarHBondContact NH2-OD2 2.95Å; L747-D817 HydrophobicContact CD2-CB 3.92Å; L747-D817 HydrophobicContact CG-CB 4.45Å; L750-D817 HydrophobicContact CD1-CB 4.31Å; H815-D817 VanDerWaalsContact C-OD1 3.32Å; H815-D817 PolarHBondContact O-N 2.79Å; D817-L820 PolarHBondContact O-N 3.38Å; D817-I821 VanDerWaalsContact O-CD1 3.29Å; D817-I821 WeakPolarHBondContact O-CD1 3.41Å; D817-I821 VanDerWaalsContact O-CG1 3.24Å; D817-I821 WeakPolarHBondContact O-CG1 3.33Å; D817-I821 PolarHBondContact O-N 3.25Å; D817-I821 VanDerWaalsContact O-N 3.11Å |
| 818 | L | 92.7 | Very high | 89.4 | Confident | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -69.8 | -40.9 | 178.7 | -59.8 | -178.5 | 0 | 0 | 0 | 112 | L764 F765 S768 H815 F816 L820 I821 W822 | L764-L818 HydrophobicContact CB-CD2 3.95Å; L764-L818 HydrophobicContact CD1-CD2 4.21Å; F765-L818 HydrophobicContact CE1-CB 4.05Å; F765-L818 HydrophobicContact CE2-CB 4.3Å; F765-L818 HydrophobicContact CZ-CB 3.87Å; F765-L818 WeakPolarHBondContact CZ-O 3.37Å; S768-L818 WeakPolarHBondContact OG-CD1 3.36Å; H815-L818 PolarHBondContact O-N 2.72Å; H815-L818 VanDerWaalsContact O-N 3.08Å; F816-L818 VanDerWaalsContact C-N 3.33Å; F816-L818 PolarHBondContact O-N 3.34Å; L818-L820 VanDerWaalsContact C-N 3.34Å; L818-I821 PolarHBondContact O-N 3.2Å; L818-W822 PolarHBondContact O-N 3.02Å |
| 819 | I | 94.6 | Very high | 89 | Confident | 5 Ų | 5 | 14.3 Ų | 14.3 | 3% | 0.026 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 177 | -61.4 | 171.1 | 0 | 0 | 0 | 110.1 | F729 L793 T812 H815 F816 W822 I823 Y854 | F729-I819 HydrophobicContact CE2-CD1 4.41Å; L793-I819 HydrophobicContact CD1-CG2 4.16Å; L793-I819 HydrophobicContact CD2-CD1 4.35Å; T812-I819 HydrophobicContact CG2-CD1 4.4Å; H815-I819 PolarHBondContact O-N 2.73Å; F816-I819 PolarHBondContact O-N 3.35Å; I819-W822 WeakPolarHBondContact O-CB 3.42Å; I819-W822 PolarHBondContact O-N 2.9Å; I819-I823 HydrophobicContact CG2-CD1 3.98Å; I819-I823 HydrophobicContact CG2-CG1 4.42Å; I819-I823 WeakPolarHBondContact O-CG1 3.13Å; I819-I823 PolarHBondContact O-N 3.47Å; I819-Y854 HydrophobicContact CG2-CE1 3.66Å |
| 820 | L | 92.8 | Very high | 88.1 | Confident | 3 Ų | 3 | 16.1 Ų | 16.1 | 2% | 0.016 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63 | -43.3 | 177.2 | -78.9 | -180 | 0 | 0 | 0 | 112.6 | F816 D817 L818 W822 I823 E824 L855 E873 I876 I877 | F816-L820 HydrophobicContact CD1-CD1 3.59Å; F816-L820 HydrophobicContact CD1-CG 3.96Å; F816-L820 HydrophobicContact CD2-CG 4.42Å; F816-L820 HydrophobicContact CE1-CD1 3.37Å; F816-L820 HydrophobicContact CE1-CD2 3.99Å; F816-L820 HydrophobicContact CE1-CG 3.69Å; F816-L820 HydrophobicContact CE2-CD2 4.2Å; F816-L820 HydrophobicContact CE2-CG 4.14Å; F816-L820 HydrophobicContact CG-CD1 4.39Å; F816-L820 HydrophobicContact CG-CG 4.33Å; F816-L820 HydrophobicContact CZ-CD1 3.98Å; F816-L820 HydrophobicContact CZ-CD2 3.69Å; F816-L820 HydrophobicContact CZ-CG 3.78Å; F816-L820 WeakPolarHBondContact O-CB 3.3Å; F816-L820 VanDerWaalsContact O-CG 3.3Å; F816-L820 WeakPolarHBondContact O-CG 3.38Å; F816-L820 PolarHBondContact O-N 2.99Å; D817-L820 PolarHBondContact O-N 3.38Å; L818-L820 VanDerWaalsContact C-N 3.34Å; L820-W822 VanDerWaalsContact C-N 3.27Å; L820-W822 PolarHBondContact O-N 3.18Å; L820-I823 PolarHBondContact O-N 2.91Å; L820-E824 WeakPolarHBondContact O-CB 3.49Å; L820-E824 PolarHBondContact O-N 3.32Å; L820-L855 HydrophobicContact CD2-CD2 3.68Å; L820-E873 HydrophobicContact CD1-CB 3.6Å; L820-E873 HydrophobicContact CD1-CG 3.87Å; L820-I876 HydrophobicContact CB-CB 4.4Å; L820-I876 HydrophobicContact CB-CG2 3.75Å; L820-I877 HydrophobicContact CD1-CD1 4.28Å; L820-I877 HydrophobicContact CD1-CG1 4.29Å; L820-I877 HydrophobicContact CD2-CD1 3.92Å; L820-I877 HydrophobicContact CD2-CG1 3.59Å |
| 821 | I | 89.6 | Confident | 87.1 | Confident | 12 Ų | 12 | 15 Ų | 15 | 6% | 0.062 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.2 | -37.8 | 175.4 | -64.9 | 157 | 0 | 0 | 0 | 110.6 | L750 I756 L761 D817 L818 E824 E825 I876 | L750-I821 HydrophobicContact CD1-CD1 3.8Å; L750-I821 HydrophobicContact CD2-CD1 3.58Å; L750-I821 HydrophobicContact CG-CD1 4.35Å; I756-I821 HydrophobicContact CD1-CD1 3.95Å; L761-I821 HydrophobicContact CD1-CB 4.2Å; L761-I821 HydrophobicContact CD1-CG2 3.76Å; L761-I821 HydrophobicContact CD2-CG2 4.21Å; D817-I821 VanDerWaalsContact O-CD1 3.29Å; D817-I821 WeakPolarHBondContact O-CD1 3.41Å; D817-I821 VanDerWaalsContact O-CG1 3.24Å; D817-I821 WeakPolarHBondContact O-CG1 3.33Å; D817-I821 PolarHBondContact O-N 3.25Å; D817-I821 VanDerWaalsContact O-N 3.11Å; L818-I821 PolarHBondContact O-N 3.2Å; I821-E824 PolarHBondContact O-N 3Å; I821-E825 PolarHBondContact O-N 3.43Å; I821-I876 HydrophobicContact CG1-CD1 4.04Å |
| 822 | W | 92.8 | Very high | 85.7 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.1 | -43.1 | 174.4 | -178.1 | 88.4 | 0 | 0 | 0 | 112 | L761 F765 L778 H786 L790 L818 I819 L820 E824 E825 Y826 | L761-W822 HydrophobicContact CD2-CB 4.24Å; F765-W822 HydrophobicContact CE2-CB 4.17Å; F765-W822 HydrophobicContact CZ-CB 4.1Å; L778-W822 HydrophobicContact CB-CZ2 4.18Å; L778-W822 HydrophobicContact CD2-CD2 3.53Å; L778-W822 VanDerWaalsContact CD2-CE2 3.42Å; L778-W822 HydrophobicContact CD2-CE3 3.76Å; L778-W822 HydrophobicContact CD2-CG 4.17Å; L778-W822 HydrophobicContact CD2-CH2 3.81Å; L778-W822 HydrophobicContact CD2-CZ2 3.58Å; L778-W822 HydrophobicContact CD2-CZ3 3.89Å; L778-W822 HydrophobicContact CG-CZ2 4.47Å; L778-W822 VanDerWaalsContact O-CE2 3.3Å; L778-W822 VanDerWaalsContact O-CZ2 3.24Å; L778-W822 WeakPolarHBondContact O-CZ2 3.44Å; L778-W822 PolarHBondContact O-NE1 3.28Å; H786-W822 HydrophobicContact CB-CH2 4.31Å; H786-W822 HydrophobicContact CB-CZ2 4.46Å; H786-W822 AromaticContact ND1-CZ2 3.64Å; L790-W822 HydrophobicContact CD2-CZ3 4.04Å; L790-W822 HydrophobicContact CG-CH2 4.43Å; L790-W822 HydrophobicContact CG-CZ3 4.28Å; L818-W822 PolarHBondContact O-N 3.02Å; I819-W822 WeakPolarHBondContact O-CB 3.42Å; I819-W822 PolarHBondContact O-N 2.9Å; L820-W822 VanDerWaalsContact C-N 3.27Å; L820-W822 PolarHBondContact O-N 3.18Å; W822-E824 VanDerWaalsContact C-N 3.34Å; W822-E824 PolarHBondContact O-N 3.37Å; W822-E825 PolarHBondContact O-N 3.4Å; W822-Y826 AromaticContact CD1-CD2 3.44Å; W822-Y826 VanDerWaalsContact CD1-CD2 3.44Å; W822-Y826 AromaticContact CD1-CE2 3.86Å; W822-Y826 HydrophobicContact CD2-CD2 4.45Å; W822-Y826 HydrophobicContact CG-CD2 4.08Å; W822-Y826 HydrophobicContact CZ2-CG 4.42Å; W822-Y826 AromaticContact NE1-CD2 3.41Å; W822-Y826 AromaticContact NE1-CE2 3.97Å; W822-Y826 AromaticContact NE1-CG 3.64Å; W822-Y826 WeakPolarHBondContact O-CB 3.18Å; W822-Y826 PolarHBondContact O-N 3.22Å |
| 823 | I | 91.7 | Very high | 84.4 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 174.6 | -69.1 | 171.2 | 0 | 0 | 0 | 110.5 | I819 L820 E825 C827 F828 A851 Y854 L855 | I819-I823 HydrophobicContact CG2-CD1 3.98Å; I819-I823 HydrophobicContact CG2-CG1 4.42Å; I819-I823 WeakPolarHBondContact O-CG1 3.13Å; I819-I823 PolarHBondContact O-N 3.47Å; L820-I823 PolarHBondContact O-N 2.91Å; I823-E825 PolarHBondContact O-N 3.49Å; I823-C827 HydrophobicContact CG2-CB 4.05Å; I823-C827 WeakPolarHBondContact O-CA 3.43Å; I823-C827 WeakPolarHBondContact O-CB 3.48Å; I823-C827 PolarHBondContact O-N 3.44Å; I823-F828 HydrophobicContact CG2-CD2 3.83Å; I823-F828 HydrophobicContact CG2-CE2 3.59Å; I823-F828 PolarHBondContact O-N 3.45Å; I823-A851 HydrophobicContact CG2-CB 4.31Å; I823-Y854 HydrophobicContact CD1-CD1 3.76Å; I823-Y854 HydrophobicContact CD1-CE1 3.96Å; I823-L855 HydrophobicContact CD1-CD2 4.04Å; I823-L855 HydrophobicContact CD1-CG 4.35Å |
| 824 | E | 86.1 | Confident | 82.6 | Confident | 65 Ų | 65 | 22.9 Ų | 22.9 | 30% | 0.304 | 11% | 0.111 | S | C | . | . | I | π-helix | trans | -55.7 | -50.5 | 174.4 | -178 | 177.7 | -162.8 | 0 | 0 | 111.8 | L820 I821 W822 F828 G829 I876 P880 | L820-E824 WeakPolarHBondContact O-CB 3.49Å; L820-E824 PolarHBondContact O-N 3.32Å; I821-E824 PolarHBondContact O-N 3Å; W822-E824 VanDerWaalsContact C-N 3.34Å; W822-E824 PolarHBondContact O-N 3.37Å; E824-F828 CarbonylContact O-C 3.49Å; E824-F828 WeakPolarHBondContact O-CB 3.38Å; E824-G829 WeakPolarHBondContact O-CA 3.23Å; E824-G829 PolarHBondContact O-N 3.15Å; E824-I876 HydrophobicContact CB-CG2 4Å; E824-P880 HydrophobicContact CB-CG 4.5Å; E824-P880 HydrophobicContact CG-CG 3.78Å |
| 825 | E | 84.3 | Confident | 80.9 | Confident | 71 Ų | 71 | 29.6 Ų | 29.6 | 33% | 0.332 | 15% | 0.147 | S | C | . | . | I | π-helix | trans | -78.8 | -40.9 | -174.9 | -177.5 | 63.8 | -166.7 | 0 | 0 | 113.4 | I821 W822 I823 G829 | I821-E825 PolarHBondContact O-N 3.43Å; W822-E825 PolarHBondContact O-N 3.4Å; I823-E825 PolarHBondContact O-N 3.49Å; E825-G829 VanDerWaalsContact O-CA 3.24Å; E825-G829 WeakPolarHBondContact O-CA 3.32Å |
| 826 | Y | 86.7 | Confident | 79.4 | Confident | 10 Ų | 10 | 30.8 Ų | 30.8 | 4% | 0.039 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -107.2 | -6.5 | -170.1 | -69.1 | -92.3 | 0 | 0 | 0 | 114.8 | K758 L761 F779 H786 W822 Y830 | K758-Y826 WeakPolarHBondContact CD-OH 3.27Å; K758-Y826 WeakPolarHBondContact CE-OH 3.42Å; K758-Y826 WeakPolarHBondContact CG-OH 3.35Å; L761-Y826 HydrophobicContact CD2-CE2 4.27Å; F779-Y826 HydrophobicContact CD1-CE2 4.16Å; F779-Y826 AromaticContact CD1-CZ 3.88Å; F779-Y826 AromaticContact CE1-CE2 3.98Å; F779-Y826 HydrophobicContact CE1-CE2 3.98Å; H786-Y826 AromaticContact CE1-CD1 3.8Å; W822-Y826 AromaticContact CD1-CD2 3.44Å; W822-Y826 VanDerWaalsContact CD1-CD2 3.44Å; W822-Y826 AromaticContact CD1-CE2 3.86Å; W822-Y826 HydrophobicContact CD2-CD2 4.45Å; W822-Y826 HydrophobicContact CG-CD2 4.08Å; W822-Y826 HydrophobicContact CZ2-CG 4.42Å; W822-Y826 AromaticContact NE1-CD2 3.41Å; W822-Y826 AromaticContact NE1-CE2 3.97Å; W822-Y826 AromaticContact NE1-CG 3.64Å; W822-Y826 WeakPolarHBondContact O-CB 3.18Å; W822-Y826 PolarHBondContact O-N 3.22Å; Y826-Y830 HydrophobicContact CD1-CE2 4.09Å; Y826-Y830 WeakPolarHBondContact O-CD2 3.34Å; Y826-Y830 VanDerWaalsContact O-CE2 3.24Å; Y826-Y830 WeakPolarHBondContact O-CE2 3.39Å |
| 827 | C | 86.1 | Confident | 77.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -113.2 | -59.2 | 170.7 | -55.8 | 0 | 0 | 0 | 0 | 109.3 | I823 V847 A851 | I823-C827 HydrophobicContact CG2-CB 4.05Å; I823-C827 WeakPolarHBondContact O-CA 3.43Å; I823-C827 WeakPolarHBondContact O-CB 3.48Å; I823-C827 PolarHBondContact O-N 3.44Å; C827-V847 HydrophobicContact CB-CG1 4.34Å; C827-A851 HydrophobicContact CB-CB 3.91Å |
| 828 | F | 79.1 | Confident | 76.3 | Confident | 11 Ų | 11 | 43.9 Ų | 43.9 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -71.8 | -37.2 | 176.8 | -63.9 | -65.8 | 0 | 0 | 0 | 112.1 | I823 E824 Y830 W831 L832 L848 F852 P880 L881 | I823-F828 HydrophobicContact CG2-CD2 3.83Å; I823-F828 HydrophobicContact CG2-CE2 3.59Å; I823-F828 PolarHBondContact O-N 3.45Å; E824-F828 CarbonylContact O-C 3.49Å; E824-F828 WeakPolarHBondContact O-CB 3.38Å; F828-Y830 PolarHBondContact O-N 3.47Å; F828-W831 CarbonylContact O-C 3.6Å; F828-W831 WeakPolarHBondContact O-CA 3.45Å; F828-W831 VanDerWaalsContact O-CB 3.29Å; F828-W831 WeakPolarHBondContact O-CB 3.38Å; F828-W831 PolarHBondContact O-N 3.08Å; F828-W831 VanDerWaalsContact O-N 3.1Å; F828-L832 HydrophobicContact CB-CD1 4.22Å; F828-L832 WeakPolarHBondContact O-CB 2.82Å; F828-L832 WeakPolarHBondContact O-CD1 3.46Å; F828-L832 WeakPolarHBondContact O-CG 2.96Å; F828-L832 PolarHBondContact O-N 3.38Å; F828-L848 HydrophobicContact CD1-CD1 3.57Å; F828-L848 HydrophobicContact CE1-CD1 3.61Å; F828-L848 HydrophobicContact CG-CD1 4.38Å; F828-L848 HydrophobicContact CZ-CD1 4.46Å; F828-F852 HydrophobicContact CE1-CE1 4.34Å; F828-F852 AromaticContact CE1-CZ 3.98Å; F828-F852 HydrophobicContact CE1-CZ 3.98Å; F828-F852 HydrophobicContact CZ-CE1 4.26Å; F828-F852 HydrophobicContact CZ-CZ 4.36Å; F828-P880 HydrophobicContact CB-CB 3.73Å; F828-P880 HydrophobicContact CB-CG 4.48Å; F828-P880 HydrophobicContact CD1-CB 4.13Å; F828-P880 HydrophobicContact CD2-CB 3.91Å; F828-P880 HydrophobicContact CD2-CG 4.26Å; F828-P880 HydrophobicContact CG-CB 3.67Å; F828-P880 HydrophobicContact CG-CG 4.44Å; F828-L881 HydrophobicContact CE1-CD2 3.58Å; F828-L881 HydrophobicContact CE1-CG 4.28Å; F828-L881 HydrophobicContact CZ-CD2 3.87Å; F828-L881 HydrophobicContact CZ-CG 4.23Å |
| 829 | G | 73 | Confident | 75 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.4 | -36.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | E824 E825 L832 K833 | E824-G829 WeakPolarHBondContact O-CA 3.23Å; E824-G829 PolarHBondContact O-N 3.15Å; E825-G829 VanDerWaalsContact O-CA 3.24Å; E825-G829 WeakPolarHBondContact O-CA 3.32Å; G829-L832 PolarHBondContact O-N 3.37Å; G829-K833 WeakPolarHBondContact O-CG 3.37Å; G829-K833 PolarHBondContact O-N 3Å |
| 830 | Y | 68.8 | Low | 74 | Confident | 61 Ų | 61 | 50.5 Ų | 50.5 | 24% | 0.239 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59 | -56.3 | 167.1 | -72.7 | -60.2 | 0 | 0 | 0 | 109.1 | H786 Y826 F828 L832 K833 F836 | H786-Y830 AromaticContact NE2-CE2 3.78Å; Y826-Y830 HydrophobicContact CD1-CE2 4.09Å; Y826-Y830 WeakPolarHBondContact O-CD2 3.34Å; Y826-Y830 VanDerWaalsContact O-CE2 3.24Å; Y826-Y830 WeakPolarHBondContact O-CE2 3.39Å; F828-Y830 PolarHBondContact O-N 3.47Å; Y830-L832 PolarHBondContact O-N 3.1Å; Y830-L832 VanDerWaalsContact O-N 3.14Å; Y830-K833 PolarHBondContact O-N 3.27Å; Y830-K833 VanDerWaalsContact O-N 3.08Å; Y830-F836 VanDerWaalsContact O-CE1 3.3Å; Y830-F836 WeakPolarHBondContact O-CE1 3.43Å; Y830-F836 WeakPolarHBondContact O-CZ 3.5Å |
| 831 | W | 65 | Low | 73.1 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 2% | 0.023 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -50.8 | -38.9 | -180 | -162.8 | -90.5 | 0 | 0 | 0 | 113.3 | F828 Y841 C844 K845 L848 L886 S888 L889 I897 | F828-W831 CarbonylContact O-C 3.6Å; F828-W831 WeakPolarHBondContact O-CA 3.45Å; F828-W831 VanDerWaalsContact O-CB 3.29Å; F828-W831 WeakPolarHBondContact O-CB 3.38Å; F828-W831 PolarHBondContact O-N 3.08Å; F828-W831 VanDerWaalsContact O-N 3.1Å; W831-Y841 HydrophobicContact CH2-CD2 4.18Å; W831-Y841 AromaticContact CH2-CE2 3.45Å; W831-Y841 HydrophobicContact CH2-CE2 3.45Å; W831-Y841 VanDerWaalsContact CH2-CE2 3.45Å; W831-Y841 HydrophobicContact CZ2-CE2 4.17Å; W831-Y841 HydrophobicContact CZ3-CE2 4.16Å; W831-C844 HydrophobicContact CE3-CB 4.43Å; W831-K845 HydrophobicContact CH2-CB 4.36Å; W831-K845 HydrophobicContact CZ3-CB 3.88Å; W831-L848 HydrophobicContact CD2-CD2 3.59Å; W831-L848 HydrophobicContact CE3-CB 4.29Å; W831-L848 HydrophobicContact CE3-CD2 3.59Å; W831-L848 HydrophobicContact CG-CD2 3.97Å; W831-L848 HydrophobicContact CZ3-CD2 4.15Å; W831-L886 VanDerWaalsContact CD1-CD2 3.4Å; W831-L886 HydrophobicContact CG-CD2 4.4Å; W831-L886 WeakPolarHBondContact O-CD2 3.27Å; W831-S888 PolarHBondContact O-OG 3.25Å; W831-L889 HydrophobicContact CZ2-CD2 4.3Å; W831-I897 HydrophobicContact CE3-CD1 4.36Å; W831-I897 HydrophobicContact CH2-CD1 2.93Å; W831-I897 HydrophobicContact CH2-CG1 4.43Å; W831-I897 HydrophobicContact CZ2-CD1 3.07Å; W831-I897 HydrophobicContact CZ2-CG1 4.48Å; W831-I897 HydrophobicContact CZ3-CD1 3.63Å |
| 832 | L | 60.7 | Low | 72.6 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 32% | 0.319 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.5 | -33.4 | -179.4 | -76 | 163.2 | 0 | 0 | 0 | 114.7 | F828 G829 Y830 G834 P880 L886 | F828-L832 HydrophobicContact CB-CD1 4.22Å; F828-L832 WeakPolarHBondContact O-CB 2.82Å; F828-L832 WeakPolarHBondContact O-CD1 3.46Å; F828-L832 WeakPolarHBondContact O-CG 2.96Å; F828-L832 PolarHBondContact O-N 3.38Å; G829-L832 PolarHBondContact O-N 3.37Å; Y830-L832 PolarHBondContact O-N 3.1Å; Y830-L832 VanDerWaalsContact O-N 3.14Å; L832-G834 VanDerWaalsContact C-N 3.26Å; L832-G834 PolarHBondContact O-N 2.93Å; L832-P880 HydrophobicContact CD1-CB 4.39Å; L832-L886 VanDerWaalsContact CA-CD2 3.43Å; L832-L886 HydrophobicContact CB-CD2 4.31Å; L832-L886 HydrophobicContact CD2-CD1 4.42Å; L832-L886 HydrophobicContact CD2-CD2 3.66Å; L832-L886 HydrophobicContact CD2-CG 3.85Å; L832-L886 HydrophobicContact CG-CD2 4.08Å |
| 833 | K | 63.3 | Low | 72.2 | Confident | 138 Ų | 138 | 60.2 Ų | 60.2 | 60% | 0.6 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -68.9 | -22.7 | -178.2 | -75.2 | 171.7 | -175.2 | 167.6 | 0 | 113.4 | G829 Y830 D835 | G829-K833 WeakPolarHBondContact O-CG 3.37Å; G829-K833 PolarHBondContact O-N 3Å; Y830-K833 PolarHBondContact O-N 3.27Å; Y830-K833 VanDerWaalsContact O-N 3.08Å; K833-D835 PolarHBondContact O-N 2.75Å |
| 834 | G | 56.4 | Low | 71.6 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 19% | 0.186 | 30% | 0.3 | C | S | . | . | trans | 71.2 | -19.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117 | L832 F836 | L832-G834 VanDerWaalsContact C-N 3.26Å; L832-G834 PolarHBondContact O-N 2.93Å; G834-F836 PolarHBondContact O-N 2.76Å; G834-F836 VanDerWaalsContact O-N 3.14Å | ||
| 835 | D | 54.4 | Low | 71.5 | Confident | 142 Ų | 142 | 60.1 Ų | 60.1 | 76% | 0.759 | 30% | 0.298 | S | S | * | . | trans | -82 | 79.1 | 177.8 | -68 | -24.9 | 0 | 0 | 0 | 110.9 | K833 | K833-D835 PolarHBondContact O-N 2.75Š| ||
| 836 | F | 61.1 | Low | 71.6 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 13% | 0.132 | 30% | 0.299 | C | S | . | . | trans | -115.7 | 140.3 | 174.3 | -45 | -75 | 0 | 0 | 0 | 111.7 | Y830 G834 E840 C844 Y892 | Y830-F836 VanDerWaalsContact O-CE1 3.3Å; Y830-F836 WeakPolarHBondContact O-CE1 3.43Å; Y830-F836 WeakPolarHBondContact O-CZ 3.5Å; G834-F836 PolarHBondContact O-N 2.76Å; G834-F836 VanDerWaalsContact O-N 3.14Å; F836-E840 HydrophobicContact CB-CB 4.2Å; F836-C844 HydrophobicContact CE1-CB 4.37Å; F836-Y892 HydrophobicContact CD2-CE2 4.49Å | ||
| 837 | Q | 59.7 | Low | 71.8 | Confident | 139 Ų | 139 | 58.4 Ų | 58.4 | 65% | 0.65 | 30% | 0.298 | S | S | * | . | trans | -71.2 | 153.7 | 155.9 | -61.4 | -165.1 | -3.9 | 0 | 0 | 110 | S839 E840 Y841 | Q837-S839 PolarHBondContact O-N 2.87Å; Q837-E840 HydrophobicContact CB-CG 4.49Å; Q837-E840 PolarHBondContact N-OE2 3.48Å; Q837-E840 PolarHBondContact O-N 3.49Å; Q837-Y841 PolarHBondContact O-N 3.21Å | ||
| 838 | Q | 62.6 | Low | 71.8 | Confident | 137 Ų | 137 | 58.5 Ų | 58.5 | 64% | 0.64 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -52.7 | -32.8 | -178.1 | -164.6 | 89.3 | 30.9 | 0 | 0 | 113 | ||
| 839 | S | 66.7 | Low | 72.2 | Confident | 75 Ų | 75 | 59.7 Ų | 59.7 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.2 | -36.6 | 176.1 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | Q837 | Q837-S839 PolarHBondContact O-N 2.87Å |
| 840 | E | 72.4 | Confident | 73.1 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 33% | 0.327 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -75.3 | -29.9 | -179.6 | -64.4 | 174.6 | 143.6 | 0 | 0 | 111.9 | F836 Q837 H842 N843 C844 | F836-E840 HydrophobicContact CB-CB 4.2Å; Q837-E840 HydrophobicContact CB-CG 4.49Å; Q837-E840 PolarHBondContact N-OE2 3.48Å; Q837-E840 PolarHBondContact O-N 3.49Å; E840-H842 VanDerWaalsContact C-N 3.32Å; E840-H842 PolarHBondContact O-N 3.45Å; E840-N843 PolarHBondContact O-N 3.14Å; E840-C844 WeakPolarHBondContact O-CB 3.37Å; E840-C844 PolarHBondContact O-N 3.33Å |
| 841 | Y | 74.1 | Confident | 74.2 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 8% | 0.075 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55 | -45.7 | 176.2 | 171.7 | -100.8 | 0 | 0 | 0 | 112.3 | W831 Q837 N843 C844 K845 Y892 D894 | W831-Y841 HydrophobicContact CH2-CD2 4.18Å; W831-Y841 AromaticContact CH2-CE2 3.45Å; W831-Y841 HydrophobicContact CH2-CE2 3.45Å; W831-Y841 VanDerWaalsContact CH2-CE2 3.45Å; W831-Y841 HydrophobicContact CZ2-CE2 4.17Å; W831-Y841 HydrophobicContact CZ3-CE2 4.16Å; Q837-Y841 PolarHBondContact O-N 3.21Å; Y841-N843 PolarHBondContact O-N 3.5Å; Y841-C844 PolarHBondContact O-N 3.15Å; Y841-K845 HydrophobicContact CE1-CD 4.36Å; Y841-K845 VanDerWaalsContact O-CB 3.28Å; Y841-K845 WeakPolarHBondContact O-CB 3.3Å; Y841-K845 PolarHBondContact O-N 3.1Å; Y841-Y892 HydrophobicContact CD1-CD1 4.34Å; Y841-Y892 HydrophobicContact CD1-CE1 4.21Å; Y841-Y892 AromaticContact CD2-CD1 3.9Å; Y841-Y892 HydrophobicContact CD2-CD1 3.9Å; Y841-Y892 AromaticContact CD2-CD2 3.53Å; Y841-Y892 HydrophobicContact CD2-CD2 3.53Å; Y841-Y892 AromaticContact CD2-CE1 3.82Å; Y841-Y892 HydrophobicContact CD2-CE1 3.82Å; Y841-Y892 AromaticContact CD2-CE2 3.46Å; Y841-Y892 HydrophobicContact CD2-CE2 3.46Å; Y841-Y892 VanDerWaalsContact CD2-CE2 3.46Å; Y841-Y892 AromaticContact CD2-CG 3.77Å; Y841-Y892 HydrophobicContact CD2-CG 3.77Å; Y841-Y892 AromaticContact CD2-CZ 3.61Å; Y841-Y892 HydrophobicContact CE1-CD1 4.14Å; Y841-Y892 HydrophobicContact CE1-CE1 4.46Å; Y841-Y892 AromaticContact CE2-CD1 3.68Å; Y841-Y892 HydrophobicContact CE2-CD1 3.68Å; Y841-Y892 AromaticContact CE2-CD2 3.39Å; Y841-Y892 HydrophobicContact CE2-CD2 3.39Å; Y841-Y892 HydrophobicContact CE2-CE1 4.1Å; Y841-Y892 AromaticContact CE2-CE2 3.87Å; Y841-Y892 HydrophobicContact CE2-CE2 3.87Å; Y841-Y892 AromaticContact CE2-CG 3.3Å; Y841-Y892 HydrophobicContact CE2-CG 3.3Å; Y841-Y892 HydrophobicContact CG-CD1 4.22Å; Y841-Y892 AromaticContact CG-CE1 3.87Å; Y841-Y892 HydrophobicContact CG-CE1 3.87Å; Y841-Y892 HydrophobicContact CG-CE2 4.2Å; Y841-Y892 AromaticContact CG-CZ 3.86Å; Y841-Y892 AromaticContact CZ-CD1 3.8Å; Y841-Y892 AromaticContact CZ-CG 3.73Å; Y841-D894 PolarHBondContact OH-OD2 2.82Å |
| 842 | H | 79.6 | Confident | 75.4 | Confident | 123 Ų | 123 | 59.9 Ų | 59.9 | 57% | 0.569 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 179.1 | -80.4 | -73.7 | 0 | 0 | 0 | 112.3 | E840 K845 A846 | E840-H842 VanDerWaalsContact C-N 3.32Å; E840-H842 PolarHBondContact O-N 3.45Å; H842-K845 PolarHBondContact O-N 3.41Å; H842-A846 PolarHBondContact O-N 3.45Å |
| 843 | N | 83.8 | Confident | 76.9 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.8 | -43.5 | 178.4 | -66.6 | -20.7 | 0 | 0 | 0 | 111.7 | Y783 E840 Y841 K845 A846 V847 | Y783-N843 HydrophobicContact CD1-CB 4.19Å; Y783-N843 HydrophobicContact CD2-CB 3.66Å; Y783-N843 HydrophobicContact CE2-CB 4.17Å; Y783-N843 HydrophobicContact CG-CB 3.67Å; E840-N843 PolarHBondContact O-N 3.14Å; Y841-N843 PolarHBondContact O-N 3.5Å; N843-K845 VanDerWaalsContact C-N 3.33Å; N843-K845 PolarHBondContact O-N 3.38Å; N843-A846 PolarHBondContact O-N 3.06Å; N843-V847 WeakPolarHBondContact O-CG2 3.19Å; N843-V847 PolarHBondContact O-N 3.48Å |
| 844 | C | 80.4 | Confident | 78.3 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 176.7 | -171.2 | 0 | 0 | 0 | 0 | 111.4 | Y783 W831 F836 E840 Y841 A846 V847 L848 | Y783-C844 HydrophobicContact CE1-CB 4.37Å; W831-C844 HydrophobicContact CE3-CB 4.43Å; F836-C844 HydrophobicContact CE1-CB 4.37Å; E840-C844 WeakPolarHBondContact O-CB 3.37Å; E840-C844 PolarHBondContact O-N 3.33Å; Y841-C844 PolarHBondContact O-N 3.15Å; C844-A846 VanDerWaalsContact C-N 3.35Å; C844-A846 PolarHBondContact O-N 3.27Å; C844-V847 PolarHBondContact O-N 2.91Å; C844-L848 WeakPolarHBondContact O-CB 3.42Å; C844-L848 PolarHBondContact O-N 3.37Å |
| 845 | K | 83.4 | Confident | 80.1 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 27% | 0.265 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 173.9 | -179.5 | 176 | 174.8 | 169.9 | 0 | 112.2 | W831 Y841 H842 N843 L848 A849 D894 I897 | W831-K845 HydrophobicContact CH2-CB 4.36Å; W831-K845 HydrophobicContact CZ3-CB 3.88Å; Y841-K845 HydrophobicContact CE1-CD 4.36Å; Y841-K845 VanDerWaalsContact O-CB 3.28Å; Y841-K845 WeakPolarHBondContact O-CB 3.3Å; Y841-K845 PolarHBondContact O-N 3.1Å; H842-K845 PolarHBondContact O-N 3.41Å; N843-K845 VanDerWaalsContact C-N 3.33Å; N843-K845 PolarHBondContact O-N 3.38Å; K845-L848 PolarHBondContact O-N 2.92Å; K845-A849 VanDerWaalsContact O-CB 3.32Å; K845-A849 WeakPolarHBondContact O-CB 3.42Å; K845-A849 PolarHBondContact O-N 2.85Å; K845-D894 VanDerWaalsContact CD-OD2 3.3Å; K845-D894 WeakPolarHBondContact CD-OD2 3.47Å; K845-D894 WeakPolarHBondContact CE-OD2 3.48Å; K845-D894 IonicContact NZ-OD1 3.82Å; K845-D894 IonicContact NZ-OD2 3.02Å; K845-D894 PolarHBondContact NZ-OD2 3.25Å; K845-I897 HydrophobicContact CG-CD1 4.47Å |
| 846 | A | 87.4 | Confident | 81.7 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L787 H842 N843 C844 L848 A849 R850 | L787-A846 HydrophobicContact CD1-CB 4.44Å; H842-A846 PolarHBondContact O-N 3.45Å; N843-A846 PolarHBondContact O-N 3.06Å; C844-A846 VanDerWaalsContact C-N 3.35Å; C844-A846 PolarHBondContact O-N 3.27Å; A846-L848 VanDerWaalsContact C-N 3.34Å; A846-L848 PolarHBondContact O-N 3.04Å; A846-A849 PolarHBondContact O-N 3.02Å; A846-R850 WeakPolarHBondContact O-CB 3.13Å; A846-R850 PolarHBondContact O-N 2.92Å |
| 847 | V | 89.6 | Confident | 83 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 176.2 | 173.8 | 0 | 0 | 0 | 0 | 111 | Y783 H786 L787 L790 C827 N843 C844 R850 A851 | Y783-V847 HydrophobicContact CD1-CG2 4.13Å; H786-V847 HydrophobicContact CB-CG1 4.37Å; H786-V847 HydrophobicContact CB-CG2 4.36Å; L787-V847 HydrophobicContact CD2-CG2 4.1Å; L787-V847 HydrophobicContact CG-CG2 3.93Å; L790-V847 HydrophobicContact CD1-CG1 4.24Å; C827-V847 HydrophobicContact CB-CG1 4.34Å; N843-V847 WeakPolarHBondContact O-CG2 3.19Å; N843-V847 PolarHBondContact O-N 3.48Å; C844-V847 PolarHBondContact O-N 2.91Å; V847-R850 PolarHBondContact O-N 3.3Å; V847-A851 WeakPolarHBondContact O-CB 3.42Å; V847-A851 PolarHBondContact O-N 3.37Å |
| 848 | L | 87.2 | Confident | 84.5 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | -180 | -171.2 | 68.6 | 0 | 0 | 0 | 112.4 | F828 W831 C844 K845 A846 R850 A851 F852 I897 | F828-L848 HydrophobicContact CD1-CD1 3.57Å; F828-L848 HydrophobicContact CE1-CD1 3.61Å; F828-L848 HydrophobicContact CG-CD1 4.38Å; F828-L848 HydrophobicContact CZ-CD1 4.46Å; W831-L848 HydrophobicContact CD2-CD2 3.59Å; W831-L848 HydrophobicContact CE3-CB 4.29Å; W831-L848 HydrophobicContact CE3-CD2 3.59Å; W831-L848 HydrophobicContact CG-CD2 3.97Å; W831-L848 HydrophobicContact CZ3-CD2 4.15Å; C844-L848 WeakPolarHBondContact O-CB 3.42Å; C844-L848 PolarHBondContact O-N 3.37Å; K845-L848 PolarHBondContact O-N 2.92Å; A846-L848 VanDerWaalsContact C-N 3.34Å; A846-L848 PolarHBondContact O-N 3.04Å; L848-R850 VanDerWaalsContact C-N 3.31Å; L848-R850 PolarHBondContact O-N 2.93Å; L848-A851 WeakPolarHBondContact O-CB 3.31Å; L848-A851 PolarHBondContact O-N 3.49Å; L848-F852 HydrophobicContact CD1-CE2 4.15Å; L848-F852 HydrophobicContact CD2-CE2 4.03Å; L848-F852 HydrophobicContact CG-CD2 4.1Å; L848-F852 HydrophobicContact CG-CE2 3.71Å; L848-F852 WeakPolarHBondContact O-CD2 3.47Å; L848-F852 PolarHBondContact O-N 3.08Å; L848-I897 HydrophobicContact CD2-CD1 4.01Å; L848-I897 HydrophobicContact CD2-CG1 4.33Å; L848-I897 HydrophobicContact CD2-CG2 4.01Å |
| 849 | A | 87.1 | Confident | 85.8 | Confident | 37 Ų | 37 | 37.4 Ų | 37.4 | 31% | 0.306 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59 | -44.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | K845 A846 A851 F852 E853 | K845-A849 VanDerWaalsContact O-CB 3.32Å; K845-A849 WeakPolarHBondContact O-CB 3.42Å; K845-A849 PolarHBondContact O-N 2.85Å; A846-A849 PolarHBondContact O-N 3.02Å; A849-A851 VanDerWaalsContact C-N 3.34Å; A849-A851 PolarHBondContact O-N 3.26Å; A849-F852 WeakPolarHBondContact O-CB 3.33Å; A849-F852 PolarHBondContact O-N 3.05Å; A849-E853 WeakPolarHBondContact O-CG 3.47Å; A849-E853 PolarHBondContact O-N 3.48Å |
| 850 | R | 92 | Very high | 86.6 | Confident | 68 Ų | 68 | 35.2 Ų | 35.2 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.3 | -33.4 | 178.5 | -161.6 | 58.4 | 167.6 | 158.2 | 3.1 | 112.8 | L787 L790 D791 I794 A846 V847 L848 E853 Y854 | L787-R850 HydrophobicContact CD2-CB 3.87Å; L787-R850 HydrophobicContact CD2-CG 4.27Å; L790-R850 HydrophobicContact CB-CG 3.89Å; L790-R850 HydrophobicContact CD1-CB 4Å; L790-R850 HydrophobicContact CD1-CG 4.25Å; D791-R850 IonicContact OD1-CZ 2.79Å; D791-R850 IonicContact OD1-NE 3.32Å; D791-R850 PolarHBondContact OD1-NE 3.33Å; D791-R850 IonicContact OD1-NH2 3.13Å; D791-R850 PolarHBondContact OD1-NH2 3.05Å; I794-R850 HydrophobicContact CD1-CG 4.29Å; A846-R850 WeakPolarHBondContact O-CB 3.13Å; A846-R850 PolarHBondContact O-N 2.92Å; V847-R850 PolarHBondContact O-N 3.3Å; L848-R850 VanDerWaalsContact C-N 3.31Å; L848-R850 PolarHBondContact O-N 2.93Å; R850-E853 WeakPolarHBondContact CD-OE2 3.32Å; R850-E853 IonicContact CZ-OE2 3.04Å; R850-E853 IonicContact NE-OE2 2.75Å; R850-E853 IonicContact NH1-OE2 2.59Å; R850-E853 PolarHBondContact NH1-OE2 3.25Å; R850-E853 PolarHBondContact O-N 3.4Å; R850-Y854 PolarHBondContact O-N 3.31Å |
| 851 | A | 92.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64 | -40.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L790 I823 C827 V847 L848 A849 Y854 L855 | L790-A851 HydrophobicContact CD1-CB 4.21Å; L790-A851 HydrophobicContact CD2-CB 4.37Å; I823-A851 HydrophobicContact CG2-CB 4.31Å; C827-A851 HydrophobicContact CB-CB 3.91Å; V847-A851 WeakPolarHBondContact O-CB 3.42Å; V847-A851 PolarHBondContact O-N 3.37Å; L848-A851 WeakPolarHBondContact O-CB 3.31Å; L848-A851 PolarHBondContact O-N 3.49Å; A849-A851 VanDerWaalsContact C-N 3.34Å; A849-A851 PolarHBondContact O-N 3.26Å; A851-Y854 PolarHBondContact O-N 3.33Å; A851-L855 WeakPolarHBondContact O-CG 3.43Å; A851-L855 PolarHBondContact O-N 2.91Å |
| 852 | F | 90.2 | Very high | 87.7 | Confident | 10 Ų | 10 | 33 Ų | 33 | 4% | 0.044 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | 172.5 | -77.5 | -61 | 0 | 0 | 0 | 112.3 | F828 L848 A849 L855 T856 L881 I897 S904 | F828-F852 HydrophobicContact CE1-CE1 4.34Å; F828-F852 AromaticContact CE1-CZ 3.98Å; F828-F852 HydrophobicContact CE1-CZ 3.98Å; F828-F852 HydrophobicContact CZ-CE1 4.26Å; F828-F852 HydrophobicContact CZ-CZ 4.36Å; L848-F852 HydrophobicContact CD1-CE2 4.15Å; L848-F852 HydrophobicContact CD2-CE2 4.03Å; L848-F852 HydrophobicContact CG-CD2 4.1Å; L848-F852 HydrophobicContact CG-CE2 3.71Å; L848-F852 WeakPolarHBondContact O-CD2 3.47Å; L848-F852 PolarHBondContact O-N 3.08Å; A849-F852 WeakPolarHBondContact O-CB 3.33Å; A849-F852 PolarHBondContact O-N 3.05Å; F852-L855 PolarHBondContact O-N 3.39Å; F852-T856 WeakPolarHBondContact O-CB 3.29Å; F852-T856 PolarHBondContact O-N 3.28Å; F852-T856 PolarHBondContact O-OG1 2.91Å; F852-L881 HydrophobicContact CE1-CD2 3.68Å; F852-L881 HydrophobicContact CZ-CD2 3.58Å; F852-I897 HydrophobicContact CE2-CG2 4.44Å; F852-S904 VanDerWaalsContact CD1-OG 3.26Å; F852-S904 WeakPolarHBondContact CD1-OG 2.74Å; F852-S904 WeakPolarHBondContact CE1-OG 3.36Å |
| 853 | E | 90.8 | Very high | 87.6 | Confident | 96 Ų | 96 | 27.8 Ų | 27.8 | 45% | 0.449 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 175.7 | -70.7 | 169.6 | -162.6 | 0 | 0 | 111.9 | I794 A849 R850 T856 A857 | I794-E853 HydrophobicContact CD1-CB 4.41Å; A849-E853 WeakPolarHBondContact O-CG 3.47Å; A849-E853 PolarHBondContact O-N 3.48Å; R850-E853 WeakPolarHBondContact CD-OE2 3.32Å; R850-E853 IonicContact CZ-OE2 3.04Å; R850-E853 IonicContact NE-OE2 2.75Å; R850-E853 IonicContact NH1-OE2 2.59Å; R850-E853 PolarHBondContact NH1-OE2 3.25Å; R850-E853 PolarHBondContact O-N 3.4Å; E853-T856 PolarHBondContact O-N 2.94Å; E853-A857 WeakPolarHBondContact O-CB 3.34Å; E853-A857 PolarHBondContact O-N 3.45Å |
| 854 | Y | 94.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 173.1 | 172.6 | -102.2 | 0 | 0 | 0 | 112.2 | L793 I794 L797 F816 I819 I823 R850 A851 T856 A857 V858 | L793-Y854 HydrophobicContact CB-CD2 3.79Å; L793-Y854 HydrophobicContact CB-CE2 3.61Å; L793-Y854 HydrophobicContact CD1-CE2 4.45Å; L793-Y854 HydrophobicContact CG-CE2 4.5Å; I794-Y854 HydrophobicContact CG1-CD2 3.87Å; I794-Y854 HydrophobicContact CG1-CG 4.34Å; L797-Y854 HydrophobicContact CD1-CD2 4.01Å; L797-Y854 HydrophobicContact CD1-CE2 3.84Å; L797-Y854 HydrophobicContact CG-CE2 4.37Å; F816-Y854 HydrophobicContact CE2-CE1 4.26Å; I819-Y854 HydrophobicContact CG2-CE1 3.66Å; I823-Y854 HydrophobicContact CD1-CD1 3.76Å; I823-Y854 HydrophobicContact CD1-CE1 3.96Å; R850-Y854 PolarHBondContact O-N 3.31Å; A851-Y854 PolarHBondContact O-N 3.33Å; Y854-T856 VanDerWaalsContact C-N 3.27Å; Y854-T856 PolarHBondContact O-N 2.87Å; Y854-A857 PolarHBondContact O-N 3.09Å; Y854-V858 HydrophobicContact CD1-CG1 4.42Å; Y854-V858 HydrophobicContact CE1-CG1 4.06Å; Y854-V858 HydrophobicContact CE2-CB 4.32Å; Y854-V858 WeakPolarHBondContact O-CB 3.41Å; Y854-V858 VanDerWaalsContact O-CG1 3.27Å; Y854-V858 WeakPolarHBondContact O-CG1 3.28Å; Y854-V858 PolarHBondContact O-N 3.21Å |
| 855 | L | 93.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.5 | -41.1 | 177.7 | -72.9 | 175.7 | 0 | 0 | 0 | 111.4 | F816 L820 I823 A851 F852 I859 | F816-L855 HydrophobicContact CZ-CD2 4.2Å; L820-L855 HydrophobicContact CD2-CD2 3.68Å; I823-L855 HydrophobicContact CD1-CD2 4.04Å; I823-L855 HydrophobicContact CD1-CG 4.35Å; A851-L855 WeakPolarHBondContact O-CG 3.43Å; A851-L855 PolarHBondContact O-N 2.91Å; F852-L855 PolarHBondContact O-N 3.39Å; L855-I859 VanDerWaalsContact O-CB 3.26Å; L855-I859 WeakPolarHBondContact O-CB 3.44Å; L855-I859 WeakPolarHBondContact O-CD1 3.47Å; L855-I859 WeakPolarHBondContact O-CG1 3.01Å; L855-I859 PolarHBondContact O-N 3.26Å |
| 856 | T | 87.3 | Confident | 86.8 | Confident | 62 Ų | 62 | 30.5 Ų | 30.5 | 38% | 0.38 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.8 | -49 | 177.2 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | F852 E853 Y854 S860 L907 | F852-T856 WeakPolarHBondContact O-CB 3.29Å; F852-T856 PolarHBondContact O-N 3.28Å; F852-T856 PolarHBondContact O-OG1 2.91Å; E853-T856 PolarHBondContact O-N 2.94Å; Y854-T856 VanDerWaalsContact C-N 3.27Å; Y854-T856 PolarHBondContact O-N 2.87Å; T856-S860 VanDerWaalsContact O-CB 3.3Å; T856-S860 WeakPolarHBondContact O-CB 3.48Å; T856-S860 PolarHBondContact O-N 3.04Å; T856-S860 VanDerWaalsContact O-N 3.13Å; T856-S860 PolarHBondContact O-OG 3.19Å; T856-L907 VanDerWaalsContact CA-CD2 3.46Å; T856-L907 HydrophobicContact CG2-CD2 4.15Å |
| 857 | A | 88.7 | Confident | 86.5 | Confident | 30 Ų | 30 | 29.8 Ų | 29.8 | 25% | 0.248 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -48.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | L797 E853 Y854 S860 L861 | L797-A857 HydrophobicContact CD1-CB 3.92Å; E853-A857 WeakPolarHBondContact O-CB 3.34Å; E853-A857 PolarHBondContact O-N 3.45Å; Y854-A857 PolarHBondContact O-N 3.09Å; A857-S860 PolarHBondContact O-N 3.25Å; A857-L861 WeakPolarHBondContact O-CG 3.31Å; A857-L861 PolarHBondContact O-N 3.05Å; A857-L861 VanDerWaalsContact O-N 3.09Å |
| 858 | V | 92.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.5 | -40.7 | -175 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | L797 T812 F816 Y854 S860 L861 F862 | L797-V858 HydrophobicContact CD1-CB 3.88Å; L797-V858 HydrophobicContact CD1-CG2 4.39Å; L797-V858 HydrophobicContact CD2-CB 4.38Å; L797-V858 HydrophobicContact CD2-CG2 3.99Å; T812-V858 HydrophobicContact CG2-CG2 4.01Å; F816-V858 HydrophobicContact CD2-CG2 4.42Å; F816-V858 HydrophobicContact CE2-CG1 3.56Å; F816-V858 HydrophobicContact CE2-CG2 4.17Å; F816-V858 HydrophobicContact CZ-CG1 3.91Å; Y854-V858 HydrophobicContact CD1-CG1 4.42Å; Y854-V858 HydrophobicContact CE1-CG1 4.06Å; Y854-V858 HydrophobicContact CE2-CB 4.32Å; Y854-V858 WeakPolarHBondContact O-CB 3.41Å; Y854-V858 VanDerWaalsContact O-CG1 3.27Å; Y854-V858 WeakPolarHBondContact O-CG1 3.28Å; Y854-V858 PolarHBondContact O-N 3.21Å; V858-S860 VanDerWaalsContact C-N 3.35Å; V858-L861 PolarHBondContact O-N 3.35Å; V858-F862 HydrophobicContact CG2-CD1 4.45Å; V858-F862 HydrophobicContact CG2-CD2 4.45Å; V858-F862 HydrophobicContact CG2-CE1 3.84Å; V858-F862 HydrophobicContact CG2-CE2 3.83Å; V858-F862 HydrophobicContact CG2-CZ 3.48Å; V858-F862 VanDerWaalsContact CG2-CZ 3.48Å; V858-F862 VanDerWaalsContact O-CG 3.32Å; V858-F862 WeakPolarHBondContact O-CG 3.34Å; V858-F862 PolarHBondContact O-N 2.99Å |
| 859 | I | 88.3 | Confident | 86.3 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68 | -38.3 | 178.6 | -67 | 170.8 | 0 | 0 | 0 | 110.5 | L855 L861 F862 A863 I877 L907 V911 | L855-I859 VanDerWaalsContact O-CB 3.26Å; L855-I859 WeakPolarHBondContact O-CB 3.44Å; L855-I859 WeakPolarHBondContact O-CD1 3.47Å; L855-I859 WeakPolarHBondContact O-CG1 3.01Å; L855-I859 PolarHBondContact O-N 3.26Å; I859-L861 VanDerWaalsContact C-N 3.32Å; I859-L861 PolarHBondContact O-N 3.35Å; I859-F862 PolarHBondContact O-N 2.91Å; I859-A863 PolarHBondContact O-N 3.1Å; I859-I877 HydrophobicContact CD1-CD1 4.24Å; I859-L907 HydrophobicContact CB-CD2 3.77Å; I859-L907 HydrophobicContact CB-CG 4.11Å; I859-L907 HydrophobicContact CD1-CD2 4.31Å; I859-L907 HydrophobicContact CG2-CD1 4.43Å; I859-L907 HydrophobicContact CG2-CD2 3.92Å; I859-L907 HydrophobicContact CG2-CG 3.67Å; I859-V911 HydrophobicContact CG2-CB 4.36Å; I859-V911 HydrophobicContact CG2-CG1 3.81Å; I859-V911 HydrophobicContact CG2-CG2 3.58Å |
| 860 | S | 84.2 | Confident | 86.3 | Confident | 30 Ų | 30 | 37.2 Ų | 37.2 | 21% | 0.21 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 174.5 | -59 | 0 | 0 | 0 | 0 | 111.4 | T856 A857 V858 A863 Q864 | T856-S860 VanDerWaalsContact O-CB 3.3Å; T856-S860 WeakPolarHBondContact O-CB 3.48Å; T856-S860 PolarHBondContact O-N 3.04Å; T856-S860 VanDerWaalsContact O-N 3.13Å; T856-S860 PolarHBondContact O-OG 3.19Å; A857-S860 PolarHBondContact O-N 3.25Å; V858-S860 VanDerWaalsContact C-N 3.35Å; S860-A863 PolarHBondContact O-N 3.32Å; S860-Q864 VanDerWaalsContact O-CG 3.25Å; S860-Q864 WeakPolarHBondContact O-CG 2.95Å; S860-Q864 PolarHBondContact O-N 3.46Å |
| 861 | L | 82.3 | Confident | 86.1 | Confident | 41 Ų | 41 | 38.8 Ų | 38.8 | 22% | 0.215 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 174.9 | -75.2 | 167.8 | 0 | 0 | 0 | 112.3 | L797 L809 A857 V858 I859 Q864 N865 | L797-L861 HydrophobicContact CB-CD1 3.7Å; L797-L861 HydrophobicContact CD1-CD1 4.29Å; L797-L861 HydrophobicContact CD2-CD1 4.12Å; L797-L861 HydrophobicContact CG-CD1 4.25Å; L809-L861 HydrophobicContact CD1-CB 3.92Å; L809-L861 HydrophobicContact CD1-CD1 4.5Å; A857-L861 WeakPolarHBondContact O-CG 3.31Å; A857-L861 PolarHBondContact O-N 3.05Å; A857-L861 VanDerWaalsContact O-N 3.09Å; V858-L861 PolarHBondContact O-N 3.35Å; I859-L861 VanDerWaalsContact C-N 3.32Å; I859-L861 PolarHBondContact O-N 3.35Å; L861-Q864 PolarHBondContact O-N 3.06Å; L861-N865 PolarHBondContact O-N 3.23Å; L861-N865 VanDerWaalsContact O-N 3.13Å; L861-N865 PolarHBondContact O-ND2 2.93Å |
| 862 | F | 87.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | 173.9 | -69.8 | -12.9 | 0 | 0 | 0 | 112 | L809 T812 Y813 F816 V858 I859 Q864 N865 D866 L867 L869 V911 | L809-F862 HydrophobicContact CD1-CD1 3.88Å; L809-F862 HydrophobicContact CD1-CE1 3.76Å; L809-F862 HydrophobicContact CG-CD1 4.5Å; L809-F862 HydrophobicContact CG-CE1 4.47Å; T812-F862 HydrophobicContact CG2-CZ 4.45Å; Y813-F862 HydrophobicContact CD2-CD1 4.09Å; Y813-F862 HydrophobicContact CD2-CD2 4.09Å; Y813-F862 AromaticContact CD2-CE1 3.87Å; Y813-F862 HydrophobicContact CD2-CE1 3.87Å; Y813-F862 AromaticContact CD2-CE2 3.87Å; Y813-F862 HydrophobicContact CD2-CE2 3.87Å; Y813-F862 HydrophobicContact CD2-CG 4.21Å; Y813-F862 AromaticContact CD2-CZ 3.75Å; Y813-F862 HydrophobicContact CD2-CZ 3.75Å; Y813-F862 HydrophobicContact CG-CE1 4.23Å; Y813-F862 HydrophobicContact CG-CZ 4.3Å; F816-F862 HydrophobicContact CB-CE2 4.29Å; F816-F862 HydrophobicContact CB-CZ 4.27Å; F816-F862 AromaticContact CD1-CE2 3.71Å; F816-F862 HydrophobicContact CD1-CE2 3.71Å; F816-F862 HydrophobicContact CD1-CZ 4.49Å; F816-F862 AromaticContact CD2-CE2 3.88Å; F816-F862 HydrophobicContact CD2-CE2 3.88Å; F816-F862 HydrophobicContact CD2-CZ 4.08Å; F816-F862 AromaticContact CE1-CE2 3.89Å; F816-F862 HydrophobicContact CE1-CE2 3.89Å; F816-F862 HydrophobicContact CE2-CE2 4.09Å; F816-F862 AromaticContact CG-CE2 3.69Å; F816-F862 HydrophobicContact CG-CE2 3.69Å; F816-F862 HydrophobicContact CG-CZ 4.04Å; F816-F862 HydrophobicContact CZ-CE2 4.09Å; V858-F862 HydrophobicContact CG2-CD1 4.45Å; V858-F862 HydrophobicContact CG2-CD2 4.45Å; V858-F862 HydrophobicContact CG2-CE1 3.84Å; V858-F862 HydrophobicContact CG2-CE2 3.83Å; V858-F862 HydrophobicContact CG2-CZ 3.48Å; V858-F862 VanDerWaalsContact CG2-CZ 3.48Å; V858-F862 VanDerWaalsContact O-CG 3.32Å; V858-F862 WeakPolarHBondContact O-CG 3.34Å; V858-F862 PolarHBondContact O-N 2.99Å; I859-F862 PolarHBondContact O-N 2.91Å; F862-Q864 VanDerWaalsContact C-N 3.35Å; F862-Q864 PolarHBondContact O-N 3.2Å; F862-N865 CarbonylContact O-C 3.53Å; F862-N865 PolarHBondContact O-N 3.47Å; F862-N865 VanDerWaalsContact O-N 3.1Å; F862-D866 PolarHBondContact O-N 3.46Å; F862-D866 VanDerWaalsContact O-N 3.07Å; F862-L867 HydrophobicContact CB-CB 3.89Å; F862-L867 HydrophobicContact CD1-CB 4.21Å; F862-L867 HydrophobicContact CD1-CD1 3.77Å; F862-L867 HydrophobicContact CE1-CD1 4.29Å; F862-L867 HydrophobicContact CG-CB 4.13Å; F862-L867 PolarHBondContact O-N 3.29Å; F862-L869 HydrophobicContact CD2-CD2 4.05Å; F862-L869 HydrophobicContact CE2-CD2 4.28Å; F862-V911 HydrophobicContact CB-CG1 4.02Å |
| 863 | A | 77.1 | Confident | 85.9 | Confident | 14 Ų | 14 | 39.6 Ų | 39.6 | 12% | 0.116 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I859 S860 N865 D866 Q910 V911 | I859-A863 PolarHBondContact O-N 3.1Å; S860-A863 PolarHBondContact O-N 3.32Å; A863-N865 PolarHBondContact O-N 3.32Å; A863-D866 PolarHBondContact O-N 3.43Å; A863-Q910 HydrophobicContact CB-CB 3.72Å; A863-V911 HydrophobicContact CB-CG1 3.81Å |
| 864 | Q | 78.1 | Confident | 85.9 | Confident | 69 Ų | 69 | 35 Ų | 35 | 32% | 0.322 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.1 | -30.5 | 176.6 | -71 | 167.8 | 17.8 | 0 | 0 | 112.6 | S860 L861 F862 | S860-Q864 VanDerWaalsContact O-CG 3.25Å; S860-Q864 WeakPolarHBondContact O-CG 2.95Å; S860-Q864 PolarHBondContact O-N 3.46Å; L861-Q864 PolarHBondContact O-N 3.06Å; F862-Q864 VanDerWaalsContact C-N 3.35Å; F862-Q864 PolarHBondContact O-N 3.2Å |
| 865 | N | 77.9 | Confident | 85.5 | Confident | 53 Ų | 53 | 36.2 Ų | 36.2 | 28% | 0.283 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 17 | -176.5 | -67.9 | -97.6 | 0 | 0 | 0 | 114.1 | L809 L861 F862 A863 L867 | L809-N865 HydrophobicContact CD2-CB 3.87Å; L809-N865 WeakPolarHBondContact CD2-ND2 3.5Å; L861-N865 PolarHBondContact O-N 3.23Å; L861-N865 VanDerWaalsContact O-N 3.13Å; L861-N865 PolarHBondContact O-ND2 2.93Å; F862-N865 CarbonylContact O-C 3.53Å; F862-N865 PolarHBondContact O-N 3.47Å; F862-N865 VanDerWaalsContact O-N 3.1Å; A863-N865 PolarHBondContact O-N 3.32Å; N865-L867 HydrophobicContact CB-CD1 4.23Å; N865-L867 HydrophobicContact CB-CG 4.29Å; N865-L867 PolarHBondContact O-N 3.39Å; N865-L867 VanDerWaalsContact O-N 3.17Å |
| 866 | D | 74.2 | Confident | 85.1 | Confident | 78 Ų | 78 | 37 Ų | 37 | 42% | 0.417 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 20 | -179.3 | -67.3 | -63.5 | 0 | 0 | 0 | 116.2 | F862 A863 R868 R1268 | F862-D866 PolarHBondContact O-N 3.46Å; F862-D866 VanDerWaalsContact O-N 3.07Å; A863-D866 PolarHBondContact O-N 3.43Å; D866-R868 PolarHBondContact O-N 3.15Å; D866-R1268 IonicContact OD1-CZ 2.81Å; D866-R1268 IonicContact OD1-NE 3.55Å; D866-R1268 PolarHBondContact OD1-NE 3.28Å; D866-R1268 IonicContact OD1-NH2 3.62Å; D866-R1268 PolarHBondContact OD1-NH2 2.99Å; D866-R1268 VanDerWaalsContact OD2-CD 3.27Å; D866-R1268 WeakPolarHBondContact OD2-CD 3.3Å; D866-R1268 IonicContact OD2-CZ 3.85Å; D866-R1268 IonicContact OD2-NE 3.45Å; D866-R1268 PolarHBondContact OD2-NE 3.29Å; D866-R1268 IonicContact OD2-NH1 2.86Å; D866-R1268 PolarHBondContact OD2-NH1 3.39Å; D866-R1268 IonicContact OD2-NH2 2.74Å; D866-R1268 PolarHBondContact OD2-NH2 3.22Å; D866-R1268 VanDerWaalsContact OD2-NH2 3.13Å |
| 867 | L | 81 | Confident | 85.1 | Confident | 27 Ų | 27 | 34.2 Ų | 34.2 | 14% | 0.141 | 18% | 0.175 | C | C | . | . | trans | -84.8 | 114.6 | -180 | -63.7 | 172.3 | 0 | 0 | 0 | 108.9 | L809 I810 Y813 F862 N865 | L809-L867 HydrophobicContact CD2-CD1 4.37Å; L809-L867 HydrophobicContact CG-CD1 4.33Å; I810-L867 HydrophobicContact CD1-CD1 4.21Å; I810-L867 HydrophobicContact CD1-CD2 4.2Å; Y813-L867 HydrophobicContact CD1-CD1 4.45Å; Y813-L867 HydrophobicContact CD1-CD2 4Å; Y813-L867 HydrophobicContact CD2-CB 3.77Å; Y813-L867 HydrophobicContact CD2-CD1 4.05Å; Y813-L867 HydrophobicContact CD2-CD2 4.44Å; Y813-L867 HydrophobicContact CD2-CG 4.3Å; Y813-L867 HydrophobicContact CE1-CD2 3.99Å; Y813-L867 HydrophobicContact CE2-CB 3.68Å; Y813-L867 HydrophobicContact CE2-CD2 4.44Å; Y813-L867 HydrophobicContact CE2-CG 4.48Å; Y813-L867 HydrophobicContact CG-CB 4.34Å; Y813-L867 HydrophobicContact CG-CD1 3.9Å; Y813-L867 HydrophobicContact CG-CD2 4.22Å; Y813-L867 HydrophobicContact CG-CG 4.38Å; F862-L867 HydrophobicContact CB-CB 3.89Å; F862-L867 HydrophobicContact CD1-CB 4.21Å; F862-L867 HydrophobicContact CD1-CD1 3.77Å; F862-L867 HydrophobicContact CE1-CD1 4.29Å; F862-L867 HydrophobicContact CG-CB 4.13Å; F862-L867 PolarHBondContact O-N 3.29Å; N865-L867 HydrophobicContact CB-CD1 4.23Å; N865-L867 HydrophobicContact CB-CG 4.29Å; N865-L867 PolarHBondContact O-N 3.39Å; N865-L867 VanDerWaalsContact O-N 3.17Å | ||
| 868 | R | 85.4 | Confident | 84.8 | Confident | 161 Ų | 161 | 32.8 Ų | 32.8 | 61% | 0.608 | 16% | 0.163 | S | C | * | . | P | Polyproline II helix | trans | -92.5 | 145 | -178.2 | -66.9 | -168.9 | 177.3 | -176.9 | -0.7 | 111.7 | Y813 D866 V911 | Y813-R868 PolarHBondContact OH-O 3.45Å; D866-R868 PolarHBondContact O-N 3.15Å; R868-V911 WeakPolarHBondContact CA-O 3.48Å |
| 869 | L | 88.5 | Confident | 84.2 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -80.8 | 144.6 | 171.6 | -62.3 | -176.2 | 0 | 0 | 0 | 110.9 | F816 F862 E873 V874 I877 V911 Y912 | F816-L869 HydrophobicContact CD1-CD2 3.72Å; F816-L869 HydrophobicContact CE1-CD1 4.32Å; F816-L869 HydrophobicContact CE1-CD2 3.55Å; F862-L869 HydrophobicContact CD2-CD2 4.05Å; F862-L869 HydrophobicContact CE2-CD2 4.28Å; L869-E873 HydrophobicContact CB-CB 4.3Å; L869-E873 HydrophobicContact CD2-CB 4.41Å; L869-V874 HydrophobicContact CB-CG2 3.83Å; L869-V874 HydrophobicContact CD1-CG2 4.32Å; L869-I877 HydrophobicContact CD1-CD1 4.16Å; L869-V911 HydrophobicContact CB-CG2 4.4Å; L869-V911 HydrophobicContact CD1-CG2 3.61Å; L869-V911 HydrophobicContact CG-CB 4.15Å; L869-V911 HydrophobicContact CG-CG2 3.66Å; L869-V911 PolarHBondContact N-O 3.22Å; L869-Y912 WeakPolarHBondContact O-CD2 3.47Å |
| 870 | S | 87.4 | Confident | 83.5 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 21% | 0.21 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 158.5 | 167.2 | 66.9 | 0 | 0 | 0 | 0 | 110.9 | Q872 E873 V874 | S870-Q872 PolarHBondContact O-N 2.84Å; S870-Q872 VanDerWaalsContact O-N 3.11Å; S870-E873 VanDerWaalsContact CB-OE2 3.31Å; S870-E873 WeakPolarHBondContact CB-OE2 3.49Å; S870-E873 PolarHBondContact N-OE2 3.19Å; S870-E873 PolarHBondContact O-N 3.32Å; S870-E873 WeakPolarHBondContact OG-CG 3.48Å; S870-E873 PolarHBondContact OG-N 2.87Å; S870-E873 PolarHBondContact OG-OE2 2.91Å; S870-V874 WeakPolarHBondContact O-CG2 3.47Å; S870-V874 PolarHBondContact O-N 3.37Å |
| 871 | E | 87.6 | Confident | 83 | Confident | 101 Ų | 101 | 34.4 Ų | 34.4 | 47% | 0.472 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -53.7 | -32.4 | 173.3 | -174.3 | -171.1 | 158.3 | 0 | 0 | 112 | N875 M920 | E871-N875 WeakPolarHBondContact O-CB 3.41Å; E871-N875 PolarHBondContact O-N 2.88Å; E871-N875 PolarHBondContact O-ND2 3.43Å; E871-N875 VanDerWaalsContact O-ND2 3.07Å; E871-M920 HydrophobicContact CG-CE 3.69Å; E871-M920 HydrophobicContact CG-SD 4.27Å |
| 872 | Q | 85.6 | Confident | 82.5 | Confident | 26 Ų | 26 | 32.4 Ų | 32.4 | 12% | 0.121 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73 | -44.5 | -179.1 | -63.7 | -180 | -94.4 | 0 | 0 | 112.4 | L747 L750 K751 S870 V874 N875 I876 | L747-Q872 VanDerWaalsContact C-OE1 3.28Å; L747-Q872 HydrophobicContact CD2-CB 4.13Å; L747-Q872 VanDerWaalsContact O-CD 3.26Å; L747-Q872 PolarHBondContact O-NE2 3.03Å; L747-Q872 PolarHBondContact O-OE1 2.87Å; L750-Q872 VanDerWaalsContact C-NE2 3.26Å; L750-Q872 VanDerWaalsContact CB-NE2 3.35Å; K751-Q872 HydrophobicContact CG-CG 4.22Å; S870-Q872 PolarHBondContact O-N 2.84Å; S870-Q872 VanDerWaalsContact O-N 3.11Å; Q872-V874 VanDerWaalsContact C-N 3.29Å; Q872-V874 PolarHBondContact O-N 3.41Å; Q872-N875 WeakPolarHBondContact O-CB 3.3Å; Q872-N875 PolarHBondContact O-N 3.5Å; Q872-N875 VanDerWaalsContact O-N 3.14Å; Q872-I876 VanDerWaalsContact O-CG1 3.27Å; Q872-I876 WeakPolarHBondContact O-CG1 3.41Å; Q872-I876 PolarHBondContact O-N 2.9Å |
| 873 | E | 91.6 | Very high | 81.3 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 174.9 | -70.3 | 163.5 | 124.9 | 0 | 0 | 110.4 | K743 L747 L820 L869 S870 N875 I876 I877 | K743-E873 WeakPolarHBondContact CE-OE1 3.27Å; K743-E873 IonicContact NZ-OE1 3.81Å; K743-E873 PolarHBondContact NZ-OE1 3.05Å; K743-E873 IonicContact NZ-OE2 3.72Å; L747-E873 HydrophobicContact CD2-CG 4.05Å; L820-E873 HydrophobicContact CD1-CB 3.6Å; L820-E873 HydrophobicContact CD1-CG 3.87Å; L869-E873 HydrophobicContact CB-CB 4.3Å; L869-E873 HydrophobicContact CD2-CB 4.41Å; S870-E873 VanDerWaalsContact CB-OE2 3.31Å; S870-E873 WeakPolarHBondContact CB-OE2 3.49Å; S870-E873 PolarHBondContact N-OE2 3.19Å; S870-E873 PolarHBondContact O-N 3.32Å; S870-E873 WeakPolarHBondContact OG-CG 3.48Å; S870-E873 PolarHBondContact OG-N 2.87Å; S870-E873 PolarHBondContact OG-OE2 2.91Å; E873-N875 VanDerWaalsContact C-N 3.33Å; E873-N875 PolarHBondContact O-N 3.43Å; E873-I876 PolarHBondContact O-N 3.12Å; E873-I877 WeakPolarHBondContact O-CG1 3.46Å; E873-I877 PolarHBondContact O-N 2.96Å |
| 874 | V | 90.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.5 | -41 | 173.3 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | L869 S870 Q872 I877 L878 I908 Y912 M920 | L869-V874 HydrophobicContact CB-CG2 3.83Å; L869-V874 HydrophobicContact CD1-CG2 4.32Å; S870-V874 WeakPolarHBondContact O-CG2 3.47Å; S870-V874 PolarHBondContact O-N 3.37Å; Q872-V874 VanDerWaalsContact C-N 3.29Å; Q872-V874 PolarHBondContact O-N 3.41Å; V874-I877 PolarHBondContact O-N 3.5Å; V874-L878 HydrophobicContact CG1-CD1 3.56Å; V874-L878 HydrophobicContact CG1-CG 3.97Å; V874-L878 WeakPolarHBondContact O-CB 3.37Å; V874-L878 WeakPolarHBondContact O-CG 3.49Å; V874-L878 PolarHBondContact O-N 3.23Å; V874-I908 HydrophobicContact CG1-CG2 4.16Å; V874-I908 HydrophobicContact CG2-CG2 4.14Å; V874-Y912 HydrophobicContact CG1-CD1 4.45Å; V874-Y912 HydrophobicContact CG2-CD1 4.22Å; V874-Y912 HydrophobicContact CG2-CD2 3.63Å; V874-Y912 HydrophobicContact CG2-CE2 4.08Å; V874-Y912 HydrophobicContact CG2-CG 3.71Å; V874-M920 HydrophobicContact CG1-CE 4.19Å |
| 875 | N | 86.4 | Confident | 78.7 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 13% | 0.134 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 175.9 | -81.3 | -34.1 | 0 | 0 | 0 | 113.1 | E871 Q872 E873 I877 L878 I879 M920 Y924 | E871-N875 WeakPolarHBondContact O-CB 3.41Å; E871-N875 PolarHBondContact O-N 2.88Å; E871-N875 PolarHBondContact O-ND2 3.43Å; E871-N875 VanDerWaalsContact O-ND2 3.07Å; Q872-N875 WeakPolarHBondContact O-CB 3.3Å; Q872-N875 PolarHBondContact O-N 3.5Å; Q872-N875 VanDerWaalsContact O-N 3.14Å; E873-N875 VanDerWaalsContact C-N 3.33Å; E873-N875 PolarHBondContact O-N 3.43Å; N875-I877 PolarHBondContact O-N 2.84Å; N875-L878 PolarHBondContact O-N 2.87Å; N875-I879 HydrophobicContact CB-CD1 4Å; N875-I879 HydrophobicContact CB-CG1 4.5Å; N875-I879 VanDerWaalsContact O-CB 3.27Å; N875-I879 WeakPolarHBondContact O-CB 3.38Å; N875-I879 VanDerWaalsContact O-CG1 3.23Å; N875-I879 WeakPolarHBondContact O-CG1 3.28Å; N875-I879 PolarHBondContact O-N 3.43Å; N875-M920 VanDerWaalsContact CG-CE 3.45Å; N875-M920 WeakPolarHBondContact OD1-CE 3.47Å; N875-Y924 WeakPolarHBondContact OD1-CE2 3.45Å; N875-Y924 PolarHBondContact OD1-OH 3.07Å |
| 876 | I | 85.2 | Confident | 77.1 | Confident | 18 Ų | 18 | 34.1 Ų | 34.1 | 9% | 0.092 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -31.7 | 177.4 | -65.6 | 159.5 | 0 | 0 | 0 | 110.6 | L820 I821 E824 Q872 E873 P880 | L820-I876 HydrophobicContact CB-CB 4.4Å; L820-I876 HydrophobicContact CB-CG2 3.75Å; I821-I876 HydrophobicContact CG1-CD1 4.04Å; E824-I876 HydrophobicContact CB-CG2 4Å; Q872-I876 VanDerWaalsContact O-CG1 3.27Å; Q872-I876 WeakPolarHBondContact O-CG1 3.41Å; Q872-I876 PolarHBondContact O-N 2.9Å; E873-I876 PolarHBondContact O-N 3.12Å; I876-P880 WeakPolarHBondContact O-CD 3.5Å; I876-P880 VanDerWaalsContact O-CG 3.23Å; I876-P880 WeakPolarHBondContact O-CG 3.18Å |
| 877 | I | 86.5 | Confident | 75.5 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -79.5 | -49.5 | 174.1 | -59.3 | 164.7 | 0 | 0 | 0 | 111.2 | L820 I859 L869 E873 V874 N875 L881 I908 | L820-I877 HydrophobicContact CD1-CD1 4.28Å; L820-I877 HydrophobicContact CD1-CG1 4.29Å; L820-I877 HydrophobicContact CD2-CD1 3.92Å; L820-I877 HydrophobicContact CD2-CG1 3.59Å; I859-I877 HydrophobicContact CD1-CD1 4.24Å; L869-I877 HydrophobicContact CD1-CD1 4.16Å; E873-I877 WeakPolarHBondContact O-CG1 3.46Å; E873-I877 PolarHBondContact O-N 2.96Å; V874-I877 PolarHBondContact O-N 3.5Å; N875-I877 PolarHBondContact O-N 2.84Å; I877-L881 HydrophobicContact CG2-CD1 3.74Å; I877-L881 WeakPolarHBondContact O-CD1 3.45Å; I877-L881 WeakPolarHBondContact O-CG 3.37Å; I877-I908 HydrophobicContact CB-CD1 4.37Å; I877-I908 HydrophobicContact CG2-CD1 3.91Å |
| 878 | L | 83.8 | Confident | 73.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -74.3 | -36.3 | -171.6 | -71.3 | -176.1 | 0 | 0 | 0 | 113.7 | V874 N875 L881 L882 I905 I908 L917 M920 | V874-L878 HydrophobicContact CG1-CD1 3.56Å; V874-L878 HydrophobicContact CG1-CG 3.97Å; V874-L878 WeakPolarHBondContact O-CB 3.37Å; V874-L878 WeakPolarHBondContact O-CG 3.49Å; V874-L878 PolarHBondContact O-N 3.23Å; N875-L878 PolarHBondContact O-N 2.87Å; L878-L881 PolarHBondContact O-N 3.05Å; L878-L882 HydrophobicContact CB-CD1 4.22Å; L878-L882 HydrophobicContact CD2-CD1 4.23Å; L878-L882 VanDerWaalsContact O-CB 3.23Å; L878-L882 WeakPolarHBondContact O-CB 3.45Å; L878-L882 VanDerWaalsContact O-CG 3.29Å; L878-L882 WeakPolarHBondContact O-CG 3.33Å; L878-L882 PolarHBondContact O-N 3.31Å; L878-I905 HydrophobicContact CD2-CG1 3.81Å; L878-I908 HydrophobicContact CD2-CD1 3.75Å; L878-I908 HydrophobicContact CG-CD1 4.12Å; L878-L917 HydrophobicContact CD1-CD1 3.85Å; L878-M920 HydrophobicContact CD1-CB 4.46Å |
| 879 | I | 78.5 | Confident | 71.8 | Confident | 52 Ų | 52 | 27.8 Ų | 27.8 | 27% | 0.267 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -61.9 | -51.9 | -177.1 | -68.8 | 168.1 | 0 | 0 | 0 | 110.7 | N875 L881 L882 N883 Y924 | N875-I879 HydrophobicContact CB-CD1 4Å; N875-I879 HydrophobicContact CB-CG1 4.5Å; N875-I879 VanDerWaalsContact O-CB 3.27Å; N875-I879 WeakPolarHBondContact O-CB 3.38Å; N875-I879 VanDerWaalsContact O-CG1 3.23Å; N875-I879 WeakPolarHBondContact O-CG1 3.28Å; N875-I879 PolarHBondContact O-N 3.43Å; I879-L881 VanDerWaalsContact C-N 3.27Å; I879-L881 PolarHBondContact O-N 2.95Å; I879-L882 PolarHBondContact O-N 2.71Å; I879-N883 HydrophobicContact CG2-CB 3.94Å; I879-N883 WeakPolarHBondContact O-CA 3.18Å; I879-N883 WeakPolarHBondContact O-CB 2.91Å; I879-N883 PolarHBondContact O-N 2.82Å; I879-Y924 HydrophobicContact CD1-CE1 4.28Å; I879-Y924 WeakPolarHBondContact CD1-OH 3.48Å; I879-Y924 HydrophobicContact CG1-CD1 4.43Å; I879-Y924 HydrophobicContact CG1-CE1 3.55Å; I879-Y924 HydrophobicContact CG1-CE2 4.41Å; I879-Y924 WeakPolarHBondContact CG1-OH 3.34Å |
| 880 | P | 74.1 | Confident | 69.7 | Low | 8 Ų | 8 | 31.4 Ų | 31.4 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.6 | -34.7 | 177.7 | -23.5 | 35.7 | 0 | 0 | 0 | 112.9 | E824 F828 L832 I876 C884 | E824-P880 HydrophobicContact CB-CG 4.5Å; E824-P880 HydrophobicContact CG-CG 3.78Å; F828-P880 HydrophobicContact CB-CB 3.73Å; F828-P880 HydrophobicContact CB-CG 4.48Å; F828-P880 HydrophobicContact CD1-CB 4.13Å; F828-P880 HydrophobicContact CD2-CB 3.91Å; F828-P880 HydrophobicContact CD2-CG 4.26Å; F828-P880 HydrophobicContact CG-CB 3.67Å; F828-P880 HydrophobicContact CG-CG 4.44Å; L832-P880 HydrophobicContact CD1-CB 4.39Å; I876-P880 WeakPolarHBondContact O-CD 3.5Å; I876-P880 VanDerWaalsContact O-CG 3.23Å; I876-P880 WeakPolarHBondContact O-CG 3.18Å; P880-C884 PolarHBondContact O-SG 3.29Å |
| 881 | L | 75.1 | Confident | 67.8 | Low | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.7 | -35.3 | 177.9 | -69 | 176.7 | 0 | 0 | 0 | 113.5 | F828 F852 I877 L878 I879 C884 A901 M933 | F828-L881 HydrophobicContact CE1-CD2 3.58Å; F828-L881 HydrophobicContact CE1-CG 4.28Å; F828-L881 HydrophobicContact CZ-CD2 3.87Å; F828-L881 HydrophobicContact CZ-CG 4.23Å; F852-L881 HydrophobicContact CE1-CD2 3.68Å; F852-L881 HydrophobicContact CZ-CD2 3.58Å; I877-L881 HydrophobicContact CG2-CD1 3.74Å; I877-L881 WeakPolarHBondContact O-CD1 3.45Å; I877-L881 WeakPolarHBondContact O-CG 3.37Å; L878-L881 PolarHBondContact O-N 3.05Å; I879-L881 VanDerWaalsContact C-N 3.27Å; I879-L881 PolarHBondContact O-N 2.95Å; L881-C884 VanDerWaalsContact C-SG 3.52Å; L881-C884 PolarHBondContact O-SG 3.31Å; L881-A901 HydrophobicContact CD2-CB 4Å; L881-M933 WeakPolarHBondContact O-CE 3.37Å |
| 882 | L | 71.6 | Confident | 66.1 | Low | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -106.9 | -41.5 | -170.8 | -60.6 | -177.5 | 0 | 0 | 0 | 113.3 | L878 I879 C884 I905 L921 Y924 C928 M933 C937 | L878-L882 HydrophobicContact CB-CD1 4.22Å; L878-L882 HydrophobicContact CD2-CD1 4.23Å; L878-L882 VanDerWaalsContact O-CB 3.23Å; L878-L882 WeakPolarHBondContact O-CB 3.45Å; L878-L882 VanDerWaalsContact O-CG 3.29Å; L878-L882 WeakPolarHBondContact O-CG 3.33Å; L878-L882 PolarHBondContact O-N 3.31Å; I879-L882 PolarHBondContact O-N 2.71Å; L882-C884 PolarHBondContact O-N 3.2Å; L882-C884 VanDerWaalsContact O-N 3.08Å; L882-I905 HydrophobicContact CD2-CD1 3.8Å; L882-L921 HydrophobicContact CD1-CD2 3.83Å; L882-Y924 HydrophobicContact CD1-CD2 4.35Å; L882-Y924 HydrophobicContact CD1-CG 4.27Å; L882-C928 WeakPolarHBondContact O-CA 3.46Å; L882-C928 PolarHBondContact O-SG 3.27Å; L882-M933 HydrophobicContact CB-CG 4.48Å; L882-M933 HydrophobicContact CD2-CG 3.75Å; L882-M933 HydrophobicContact CD2-SD 3.56Å; L882-M933 VanDerWaalsContact CD2-SD 3.56Å; L882-C937 WeakPolarHBondContact CD2-SG 3.05Å |
| 883 | N | 62.2 | Low | 64.9 | Low | 54 Ų | 54 | 39 Ų | 39 | 29% | 0.289 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -78.5 | 15.2 | -177.7 | -164.1 | 23.3 | 0 | 0 | 0 | 113.3 | I879 Q885 | I879-N883 HydrophobicContact CG2-CB 3.94Å; I879-N883 WeakPolarHBondContact O-CA 3.18Å; I879-N883 WeakPolarHBondContact O-CB 2.91Å; I879-N883 PolarHBondContact O-N 2.82Å; N883-Q885 PolarHBondContact O-N 3.2Å |
| 884 | C | 51.3 | Low | 63.8 | Low | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | trans | -46.5 | 102.8 | -176 | -63.4 | 0 | 0 | 0 | 0 | 112.9 | P880 L881 L882 L886 S929 | P880-C884 PolarHBondContact O-SG 3.29Å; L881-C884 VanDerWaalsContact C-SG 3.52Å; L881-C884 PolarHBondContact O-SG 3.31Å; L882-C884 PolarHBondContact O-N 3.2Å; L882-C884 VanDerWaalsContact O-N 3.08Å; C884-L886 HydrophobicContact CB-CB 3.89Å; C884-L886 HydrophobicContact CB-CD1 3.37Å; C884-L886 HydrophobicContact CB-CG 3.52Å; C884-L886 PolarHBondContact O-N 3.27Å; C884-L886 WeakPolarHBondContact SG-CD1 3.47Å; C884-S929 WeakPolarHBondContact O-CB 3.36Å; C884-S929 PolarHBondContact O-OG 3.45Å | ||
| 885 | Q | 47.8 | Very low | 62.9 | Low | 109 Ų | 109 | 43.8 Ų | 43.8 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | trans | -72.1 | 24.7 | 157.6 | -72 | -177.3 | -26.7 | 0 | 0 | 111.2 | L552 N883 Q887 | L552-Q885 HydrophobicContact CD1-CG 4Å; N883-Q885 PolarHBondContact O-N 3.2Å; Q885-Q887 PolarHBondContact O-N 2.7Å | ||
| 886 | L | 45.3 | Very low | 62.2 | Low | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | trans | -71.3 | 92.2 | -166 | -70.7 | 171.1 | 0 | 0 | 0 | 111.1 | W831 L832 C884 S888 L889 T890 | W831-L886 VanDerWaalsContact CD1-CD2 3.4Å; W831-L886 HydrophobicContact CG-CD2 4.4Å; W831-L886 WeakPolarHBondContact O-CD2 3.27Å; L832-L886 VanDerWaalsContact CA-CD2 3.43Å; L832-L886 HydrophobicContact CB-CD2 4.31Å; L832-L886 HydrophobicContact CD2-CD1 4.42Å; L832-L886 HydrophobicContact CD2-CD2 3.66Å; L832-L886 HydrophobicContact CD2-CG 3.85Å; L832-L886 HydrophobicContact CG-CD2 4.08Å; C884-L886 HydrophobicContact CB-CB 3.89Å; C884-L886 HydrophobicContact CB-CD1 3.37Å; C884-L886 HydrophobicContact CB-CG 3.52Å; C884-L886 PolarHBondContact O-N 3.27Å; C884-L886 WeakPolarHBondContact SG-CD1 3.47Å; L886-S888 VanDerWaalsContact CD2-OG 3.24Å; L886-S888 WeakPolarHBondContact CD2-OG 3.07Å; L886-S888 PolarHBondContact O-N 2.8Å; L886-L889 HydrophobicContact CB-CB 3.87Å; L886-L889 HydrophobicContact CB-CD1 4.32Å; L886-L889 HydrophobicContact CB-CG 4.09Å; L886-L889 HydrophobicContact CD1-CB 4.33Å; L886-L889 HydrophobicContact CD1-CD1 3.35Å; L886-L889 HydrophobicContact CD1-CG 3.6Å; L886-L889 HydrophobicContact CG-CD1 4.43Å; L886-L889 HydrophobicContact CG-CG 4.42Å; L886-L889 PolarHBondContact O-N 3.3Å; L886-T890 PolarHBondContact O-N 3.49Å; L886-T890 PolarHBondContact O-OG1 3.34Å | ||
| 887 | Q | 39.3 | Very low | 61.6 | Low | 127 Ų | 127 | 46 Ų | 46 | 59% | 0.593 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -51.7 | -38.3 | 157.5 | -78.9 | -173.7 | -5.1 | 0 | 0 | 109.7 | Q885 L889 T890 V891 | Q885-Q887 PolarHBondContact O-N 2.7Å; Q887-L889 PolarHBondContact O-N 3.43Å; Q887-T890 CarbonylContact O-C 3.51Å; Q887-T890 WeakPolarHBondContact O-CA 3.48Å; Q887-T890 WeakPolarHBondContact O-CB 3.4Å; Q887-T890 PolarHBondContact O-N 3.02Å; Q887-T890 VanDerWaalsContact O-N 3.11Å; Q887-V891 WeakPolarHBondContact O-CB 3.45Å; Q887-V891 WeakPolarHBondContact O-CG2 3.2Å; Q887-V891 PolarHBondContact O-N 3.3Å |
| 888 | S | 45.3 | Very low | 60.9 | Low | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -43.5 | -179.7 | 57.2 | 0 | 0 | 0 | 0 | 114.9 | W831 L886 T890 V891 Y892 | W831-S888 PolarHBondContact O-OG 3.25Å; L886-S888 VanDerWaalsContact CD2-OG 3.24Å; L886-S888 WeakPolarHBondContact CD2-OG 3.07Å; L886-S888 PolarHBondContact O-N 2.8Å; S888-T890 VanDerWaalsContact C-N 3.26Å; S888-T890 PolarHBondContact O-N 3.25Å; S888-V891 PolarHBondContact O-N 3.42Å; S888-Y892 WeakPolarHBondContact O-CB 3.46Å; S888-Y892 VanDerWaalsContact O-CD2 3.24Å; S888-Y892 WeakPolarHBondContact O-CD2 3.39Å; S888-Y892 PolarHBondContact O-N 2.78Å |
| 889 | L | 44.2 | Very low | 60.6 | Low | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.3 | -33.1 | 173.7 | -82 | -177.6 | 0 | 0 | 0 | 111.8 | W831 L886 Q887 V891 K893 I897 Y898 M933 | W831-L889 HydrophobicContact CZ2-CD2 4.3Å; L886-L889 HydrophobicContact CB-CB 3.87Å; L886-L889 HydrophobicContact CB-CD1 4.32Å; L886-L889 HydrophobicContact CB-CG 4.09Å; L886-L889 HydrophobicContact CD1-CB 4.33Å; L886-L889 HydrophobicContact CD1-CD1 3.35Å; L886-L889 HydrophobicContact CD1-CG 3.6Å; L886-L889 HydrophobicContact CG-CD1 4.43Å; L886-L889 HydrophobicContact CG-CG 4.42Å; L886-L889 PolarHBondContact O-N 3.3Å; Q887-L889 PolarHBondContact O-N 3.43Å; L889-V891 VanDerWaalsContact C-N 3.34Å; L889-K893 VanDerWaalsContact O-CA 3.31Å; L889-K893 WeakPolarHBondContact O-CA 3.03Å; L889-K893 PolarHBondContact O-N 3.31Å; L889-I897 HydrophobicContact CD2-CB 4.49Å; L889-I897 HydrophobicContact CD2-CG2 4.11Å; L889-Y898 HydrophobicContact CD1-CE1 3.96Å; L889-Y898 HydrophobicContact CD2-CE2 4.18Å; L889-M933 HydrophobicContact CD1-CE 4.41Å |
| 890 | T | 45.4 | Very low | 60.5 | Low | 84 Ų | 84 | 52.6 Ų | 52.6 | 52% | 0.515 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 175.5 | -44.6 | 0 | 0 | 0 | 0 | 111.2 | L886 Q887 S888 | L886-T890 PolarHBondContact O-N 3.49Å; L886-T890 PolarHBondContact O-OG1 3.34Å; Q887-T890 CarbonylContact O-C 3.51Å; Q887-T890 WeakPolarHBondContact O-CA 3.48Å; Q887-T890 WeakPolarHBondContact O-CB 3.4Å; Q887-T890 PolarHBondContact O-N 3.02Å; Q887-T890 VanDerWaalsContact O-N 3.11Å; S888-T890 VanDerWaalsContact C-N 3.26Å; S888-T890 PolarHBondContact O-N 3.25Å |
| 891 | V | 45.8 | Very low | 60.4 | Low | 102 Ų | 102 | 52.3 Ų | 52.3 | 62% | 0.618 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -75.3 | -49.7 | 179.6 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | Q887 S888 L889 | Q887-V891 WeakPolarHBondContact O-CB 3.45Å; Q887-V891 WeakPolarHBondContact O-CG2 3.2Å; Q887-V891 PolarHBondContact O-N 3.3Å; S888-V891 PolarHBondContact O-N 3.42Å; L889-V891 VanDerWaalsContact C-N 3.34Å |
| 892 | Y | 52 | Low | 60.4 | Low | 56 Ų | 56 | 52.8 Ų | 52.8 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -95.1 | -20.5 | -171.7 | -64.8 | -73.7 | 0 | 0 | 0 | 114.4 | F836 Y841 S888 D894 | F836-Y892 HydrophobicContact CD2-CE2 4.49Å; Y841-Y892 HydrophobicContact CD1-CD1 4.34Å; Y841-Y892 HydrophobicContact CD1-CE1 4.21Å; Y841-Y892 AromaticContact CD2-CD1 3.9Å; Y841-Y892 HydrophobicContact CD2-CD1 3.9Å; Y841-Y892 AromaticContact CD2-CD2 3.53Å; Y841-Y892 HydrophobicContact CD2-CD2 3.53Å; Y841-Y892 AromaticContact CD2-CE1 3.82Å; Y841-Y892 HydrophobicContact CD2-CE1 3.82Å; Y841-Y892 AromaticContact CD2-CE2 3.46Å; Y841-Y892 HydrophobicContact CD2-CE2 3.46Å; Y841-Y892 VanDerWaalsContact CD2-CE2 3.46Å; Y841-Y892 AromaticContact CD2-CG 3.77Å; Y841-Y892 HydrophobicContact CD2-CG 3.77Å; Y841-Y892 AromaticContact CD2-CZ 3.61Å; Y841-Y892 HydrophobicContact CE1-CD1 4.14Å; Y841-Y892 HydrophobicContact CE1-CE1 4.46Å; Y841-Y892 AromaticContact CE2-CD1 3.68Å; Y841-Y892 HydrophobicContact CE2-CD1 3.68Å; Y841-Y892 AromaticContact CE2-CD2 3.39Å; Y841-Y892 HydrophobicContact CE2-CD2 3.39Å; Y841-Y892 HydrophobicContact CE2-CE1 4.1Å; Y841-Y892 AromaticContact CE2-CE2 3.87Å; Y841-Y892 HydrophobicContact CE2-CE2 3.87Å; Y841-Y892 AromaticContact CE2-CG 3.3Å; Y841-Y892 HydrophobicContact CE2-CG 3.3Å; Y841-Y892 HydrophobicContact CG-CD1 4.22Å; Y841-Y892 AromaticContact CG-CE1 3.87Å; Y841-Y892 HydrophobicContact CG-CE1 3.87Å; Y841-Y892 HydrophobicContact CG-CE2 4.2Å; Y841-Y892 AromaticContact CG-CZ 3.86Å; Y841-Y892 AromaticContact CZ-CD1 3.8Å; Y841-Y892 AromaticContact CZ-CG 3.73Å; S888-Y892 WeakPolarHBondContact O-CB 3.46Å; S888-Y892 VanDerWaalsContact O-CD2 3.24Å; S888-Y892 WeakPolarHBondContact O-CD2 3.39Å; S888-Y892 PolarHBondContact O-N 2.78Å; Y892-D894 PolarHBondContact O-N 2.85Å |
| 893 | K | 61.4 | Low | 60.7 | Low | 158 Ų | 158 | 55.7 Ų | 55.7 | 69% | 0.687 | 29% | 0.287 | S | S | * | . | trans | 44.6 | 38.2 | 179.2 | -64 | -177.1 | 178.7 | 176.5 | 0 | 114.3 | L889 S895 | L889-K893 VanDerWaalsContact O-CA 3.31Å; L889-K893 WeakPolarHBondContact O-CA 3.03Å; L889-K893 PolarHBondContact O-N 3.31Å; K893-S895 PolarHBondContact O-N 2.79Å; K893-S895 VanDerWaalsContact O-N 3.12Å | ||
| 894 | D | 69 | Low | 61.6 | Low | 14 Ų | 14 | 53.4 Ų | 53.4 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | trans | -69.5 | 110.2 | -171.9 | -166.9 | -27 | 0 | 0 | 0 | 111.7 | Y841 K845 Y892 V896 I897 Y898 | Y841-D894 PolarHBondContact OH-OD2 2.82Å; K845-D894 VanDerWaalsContact CD-OD2 3.3Å; K845-D894 WeakPolarHBondContact CD-OD2 3.47Å; K845-D894 WeakPolarHBondContact CE-OD2 3.48Å; K845-D894 IonicContact NZ-OD1 3.82Å; K845-D894 IonicContact NZ-OD2 3.02Å; K845-D894 PolarHBondContact NZ-OD2 3.25Å; Y892-D894 PolarHBondContact O-N 2.85Å; D894-V896 PolarHBondContact O-N 3.14Å; D894-V896 WeakPolarHBondContact OD1-CB 3.23Å; D894-V896 PolarHBondContact OD1-N 2.9Å; D894-I897 HydrophobicContact CB-CD1 4.06Å; D894-I897 HydrophobicContact CB-CG1 4.35Å; D894-I897 PolarHBondContact O-N 3.05Å; D894-Y898 VanDerWaalsContact O-CD2 3.24Å; D894-Y898 WeakPolarHBondContact O-CD2 3.31Å; D894-Y898 PolarHBondContact O-N 3.35Å | ||
| 895 | S | 70.5 | Confident | 62.9 | Low | 89 Ų | 89 | 53.2 Ų | 53.2 | 62% | 0.622 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.3 | -28.4 | -177.8 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | K893 I897 R899 | K893-S895 PolarHBondContact O-N 2.79Å; K893-S895 VanDerWaalsContact O-N 3.12Å; S895-I897 VanDerWaalsContact C-N 3.35Å; S895-R899 WeakPolarHBondContact O-CB 3.46Å; S895-R899 PolarHBondContact O-N 2.9Å |
| 896 | V | 71.6 | Confident | 64.4 | Low | 75 Ų | 75 | 52.5 Ų | 52.5 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | -178.7 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | D894 R899 S900 | D894-V896 PolarHBondContact O-N 3.14Å; D894-V896 WeakPolarHBondContact OD1-CB 3.23Å; D894-V896 PolarHBondContact OD1-N 2.9Å; V896-R899 WeakPolarHBondContact O-CA 3.41Å; V896-R899 VanDerWaalsContact O-CB 3.32Å; V896-R899 WeakPolarHBondContact O-CB 3.38Å; V896-R899 PolarHBondContact O-N 3.47Å; V896-R899 VanDerWaalsContact O-N 3.12Å; V896-S900 PolarHBondContact O-N 3.03Å; V896-S900 PolarHBondContact O-OG 3.08Å; V896-S900 VanDerWaalsContact O-OG 3.12Å |
| 897 | I | 72.7 | Confident | 66 | Low | 14 Ų | 14 | 52.9 Ų | 52.9 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.2 | -40.5 | -177.4 | -63.9 | 172.9 | 0 | 0 | 0 | 111.1 | W831 K845 L848 F852 L889 D894 S895 R899 S900 A901 | W831-I897 HydrophobicContact CE3-CD1 4.36Å; W831-I897 HydrophobicContact CH2-CD1 2.93Å; W831-I897 HydrophobicContact CH2-CG1 4.43Å; W831-I897 HydrophobicContact CZ2-CD1 3.07Å; W831-I897 HydrophobicContact CZ2-CG1 4.48Å; W831-I897 HydrophobicContact CZ3-CD1 3.63Å; K845-I897 HydrophobicContact CG-CD1 4.47Å; L848-I897 HydrophobicContact CD2-CD1 4.01Å; L848-I897 HydrophobicContact CD2-CG1 4.33Å; L848-I897 HydrophobicContact CD2-CG2 4.01Å; F852-I897 HydrophobicContact CE2-CG2 4.44Å; L889-I897 HydrophobicContact CD2-CB 4.49Å; L889-I897 HydrophobicContact CD2-CG2 4.11Å; D894-I897 HydrophobicContact CB-CD1 4.06Å; D894-I897 HydrophobicContact CB-CG1 4.35Å; D894-I897 PolarHBondContact O-N 3.05Å; S895-I897 VanDerWaalsContact C-N 3.35Å; I897-R899 PolarHBondContact O-N 3.07Å; I897-S900 PolarHBondContact O-N 2.87Å; I897-A901 WeakPolarHBondContact O-CB 3.48Å; I897-A901 PolarHBondContact O-N 3.11Å |
| 898 | Y | 73 | Confident | 68 | Low | 25 Ų | 25 | 46.9 Ų | 46.9 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -34.6 | 171.1 | -75.9 | -64.2 | 0 | 0 | 0 | 112.2 | L889 D894 S902 R932 M933 I936 | L889-Y898 HydrophobicContact CD1-CE1 3.96Å; L889-Y898 HydrophobicContact CD2-CE2 4.18Å; D894-Y898 VanDerWaalsContact O-CD2 3.24Å; D894-Y898 WeakPolarHBondContact O-CD2 3.31Å; D894-Y898 PolarHBondContact O-N 3.35Å; Y898-S902 PolarHBondContact O-N 2.92Å; Y898-R932 HydrophobicContact CD1-CB 4.47Å; Y898-R932 HydrophobicContact CD1-CG 3.68Å; Y898-R932 HydrophobicContact CD2-CG 4.29Å; Y898-R932 HydrophobicContact CE1-CB 3.84Å; Y898-R932 HydrophobicContact CE1-CG 3.52Å; Y898-R932 HydrophobicContact CE2-CG 4.16Å; Y898-R932 HydrophobicContact CG-CG 4.06Å; Y898-M933 HydrophobicContact CD1-CE 4.15Å; Y898-M933 HydrophobicContact CE1-CE 4.08Å; Y898-I936 HydrophobicContact CD1-CD1 3.67Å; Y898-I936 HydrophobicContact CG-CD1 4.34Å |
| 899 | R | 75.6 | Confident | 69.6 | Low | 142 Ų | 142 | 48.3 Ų | 48.3 | 54% | 0.536 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.1 | -50.8 | 175.4 | -170.9 | 72.9 | -168.3 | 112.7 | 9.1 | 110.7 | S895 V896 I897 A901 S902 D903 | S895-R899 WeakPolarHBondContact O-CB 3.46Å; S895-R899 PolarHBondContact O-N 2.9Å; V896-R899 WeakPolarHBondContact O-CA 3.41Å; V896-R899 VanDerWaalsContact O-CB 3.32Å; V896-R899 WeakPolarHBondContact O-CB 3.38Å; V896-R899 PolarHBondContact O-N 3.47Å; V896-R899 VanDerWaalsContact O-N 3.12Å; I897-R899 PolarHBondContact O-N 3.07Å; R899-A901 VanDerWaalsContact C-N 3.27Å; R899-A901 PolarHBondContact O-N 3.12Å; R899-S902 PolarHBondContact NH1-OG 3.04Å; R899-S902 PolarHBondContact O-N 2.91Å; R899-S902 VanDerWaalsContact O-N 3.11Å; R899-D903 IonicContact CZ-OD1 3.69Å; R899-D903 IonicContact CZ-OD2 3.67Å; R899-D903 IonicContact NE-OD1 2.73Å; R899-D903 IonicContact NE-OD2 2.76Å; R899-D903 IonicContact NH1-OD1 2.85Å; R899-D903 PolarHBondContact NH1-OD1 3.18Å; R899-D903 IonicContact NH2-OD1 2.7Å; R899-D903 PolarHBondContact NH2-OD1 3.07Å; R899-D903 IonicContact NH2-OD2 3.32Å; R899-D903 VanDerWaalsContact O-CG 3.28Å; R899-D903 PolarHBondContact O-N 3.03Å |
| 900 | S | 77 | Confident | 71.1 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.7 | -36 | 177.1 | -56.1 | 0 | 0 | 0 | 0 | 113 | V896 I897 D903 S904 | V896-S900 PolarHBondContact O-N 3.03Å; V896-S900 PolarHBondContact O-OG 3.08Å; V896-S900 VanDerWaalsContact O-OG 3.12Å; I897-S900 PolarHBondContact O-N 2.87Å; S900-D903 PolarHBondContact O-N 2.55Å; S900-S904 WeakPolarHBondContact O-CB 3.46Å; S900-S904 PolarHBondContact O-N 3.29Å; S900-S904 PolarHBondContact O-OG 2.99Å |
| 901 | A | 72.4 | Confident | 72.7 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.9 | -46.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L881 I897 R899 S904 I905 | L881-A901 HydrophobicContact CD2-CB 4Å; I897-A901 WeakPolarHBondContact O-CB 3.48Å; I897-A901 PolarHBondContact O-N 3.11Å; R899-A901 VanDerWaalsContact C-N 3.27Å; R899-A901 PolarHBondContact O-N 3.12Å; A901-S904 PolarHBondContact O-N 3.07Å; A901-I905 WeakPolarHBondContact O-CG1 3.3Å; A901-I905 PolarHBondContact O-N 2.75Å |
| 902 | S | 75.2 | Confident | 74.5 | Confident | 16 Ų | 16 | 44 Ų | 44 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 174.4 | 166.5 | 0 | 0 | 0 | 0 | 111.3 | Y898 R899 S904 I905 H906 E940 | Y898-S902 PolarHBondContact O-N 2.92Å; R899-S902 PolarHBondContact NH1-OG 3.04Å; R899-S902 PolarHBondContact O-N 2.91Å; R899-S902 VanDerWaalsContact O-N 3.11Å; S902-S904 VanDerWaalsContact C-N 3.3Å; S902-S904 PolarHBondContact O-N 3.28Å; S902-I905 PolarHBondContact O-N 3.1Å; S902-H906 PolarHBondContact O-N 3.24Å; S902-E940 PolarHBondContact OG-OE1 3.21Å |
| 903 | D | 78.3 | Confident | 75.5 | Confident | 62 Ų | 62 | 43 Ų | 43 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 178.7 | -64.2 | -26.1 | 0 | 0 | 0 | 111.7 | R899 S900 H906 L907 | R899-D903 IonicContact CZ-OD1 3.69Å; R899-D903 IonicContact CZ-OD2 3.67Å; R899-D903 IonicContact NE-OD1 2.73Å; R899-D903 IonicContact NE-OD2 2.76Å; R899-D903 IonicContact NH1-OD1 2.85Å; R899-D903 PolarHBondContact NH1-OD1 3.18Å; R899-D903 IonicContact NH2-OD1 2.7Å; R899-D903 PolarHBondContact NH2-OD1 3.07Å; R899-D903 IonicContact NH2-OD2 3.32Å; R899-D903 VanDerWaalsContact O-CG 3.28Å; R899-D903 PolarHBondContact O-N 3.03Å; S900-D903 PolarHBondContact O-N 2.55Å; D903-H906 WeakPolarHBondContact O-CB 3.26Å; D903-H906 PolarHBondContact O-N 2.9Å; D903-L907 VanDerWaalsContact O-CB 3.32Å; D903-L907 WeakPolarHBondContact O-CB 3.49Å; D903-L907 PolarHBondContact O-N 2.78Å |
| 904 | S | 80.1 | Confident | 75.9 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.8 | -43.2 | 174.4 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | F852 S900 A901 S902 H906 L907 I908 | F852-S904 VanDerWaalsContact CD1-OG 3.26Å; F852-S904 WeakPolarHBondContact CD1-OG 2.74Å; F852-S904 WeakPolarHBondContact CE1-OG 3.36Å; S900-S904 WeakPolarHBondContact O-CB 3.46Å; S900-S904 PolarHBondContact O-N 3.29Å; S900-S904 PolarHBondContact O-OG 2.99Å; A901-S904 PolarHBondContact O-N 3.07Å; S902-S904 VanDerWaalsContact C-N 3.3Å; S902-S904 PolarHBondContact O-N 3.28Å; S904-H906 VanDerWaalsContact C-N 3.29Å; S904-H906 PolarHBondContact O-N 2.99Å; S904-L907 PolarHBondContact O-N 3Å; S904-I908 WeakPolarHBondContact O-CG1 3.29Å; S904-I908 PolarHBondContact O-N 3.32Å |
| 905 | I | 78.4 | Confident | 76 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -39.7 | 175.4 | -65.1 | 163.1 | 0 | 0 | 0 | 110.5 | L878 L882 A901 S902 L921 I936 E940 | L878-I905 HydrophobicContact CD2-CG1 3.81Å; L882-I905 HydrophobicContact CD2-CD1 3.8Å; A901-I905 WeakPolarHBondContact O-CG1 3.3Å; A901-I905 PolarHBondContact O-N 2.75Å; S902-I905 PolarHBondContact O-N 3.1Å; I905-L921 HydrophobicContact CG2-CD1 4.09Å; I905-L921 HydrophobicContact CG2-CD2 3.92Å; I905-I936 HydrophobicContact CD1-CG2 3.98Å; I905-E940 HydrophobicContact CB-CG 4.23Å; I905-E940 HydrophobicContact CG2-CB 4.02Å; I905-E940 HydrophobicContact CG2-CG 3.75Å |
| 906 | H | 79.1 | Confident | 76.4 | Confident | 93 Ų | 93 | 39.1 Ų | 39.1 | 43% | 0.431 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 175.1 | -169.6 | 77 | 0 | 0 | 0 | 111.4 | S902 D903 S904 I908 R909 | S902-H906 PolarHBondContact O-N 3.24Å; D903-H906 WeakPolarHBondContact O-CB 3.26Å; D903-H906 PolarHBondContact O-N 2.9Å; S904-H906 VanDerWaalsContact C-N 3.29Å; S904-H906 PolarHBondContact O-N 2.99Å; H906-I908 PolarHBondContact O-N 3.11Å; H906-R909 PolarHBondContact ND1-NH1 2.88Å; H906-R909 WeakPolarHBondContact O-CB 3.35Å; H906-R909 WeakPolarHBondContact O-CD 3.44Å; H906-R909 WeakPolarHBondContact O-CG 3.41Å; H906-R909 PolarHBondContact O-N 3.47Å |
| 907 | L | 79.5 | Confident | 77 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.5 | -36.3 | -178.2 | -171.4 | 67.6 | 0 | 0 | 0 | 113.4 | T856 I859 D903 S904 R909 Q910 | T856-L907 VanDerWaalsContact CA-CD2 3.46Å; T856-L907 HydrophobicContact CG2-CD2 4.15Å; I859-L907 HydrophobicContact CB-CD2 3.77Å; I859-L907 HydrophobicContact CB-CG 4.11Å; I859-L907 HydrophobicContact CD1-CD2 4.31Å; I859-L907 HydrophobicContact CG2-CD1 4.43Å; I859-L907 HydrophobicContact CG2-CD2 3.92Å; I859-L907 HydrophobicContact CG2-CG 3.67Å; D903-L907 VanDerWaalsContact O-CB 3.32Å; D903-L907 WeakPolarHBondContact O-CB 3.49Å; D903-L907 PolarHBondContact O-N 2.78Å; S904-L907 PolarHBondContact O-N 3Å; L907-R909 PolarHBondContact O-N 3.26Å; L907-Q910 WeakPolarHBondContact O-CB 3.32Å; L907-Q910 PolarHBondContact O-N 3.07Å |
| 908 | I | 82.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.6 | -28.8 | 177.9 | -74.5 | 165.4 | 0 | 0 | 0 | 112.3 | V874 I877 L878 S904 H906 Q910 V911 Y912 L917 | V874-I908 HydrophobicContact CG1-CG2 4.16Å; V874-I908 HydrophobicContact CG2-CG2 4.14Å; I877-I908 HydrophobicContact CB-CD1 4.37Å; I877-I908 HydrophobicContact CG2-CD1 3.91Å; L878-I908 HydrophobicContact CD2-CD1 3.75Å; L878-I908 HydrophobicContact CG-CD1 4.12Å; S904-I908 WeakPolarHBondContact O-CG1 3.29Å; S904-I908 PolarHBondContact O-N 3.32Å; H906-I908 PolarHBondContact O-N 3.11Å; I908-Q910 PolarHBondContact O-N 3.37Å; I908-Q910 VanDerWaalsContact O-N 3.15Å; I908-V911 CarbonylContact O-C 3.48Å; I908-V911 WeakPolarHBondContact O-CG2 3.47Å; I908-V911 PolarHBondContact O-N 3.21Å; I908-Y912 WeakPolarHBondContact O-CB 3.29Å; I908-Y912 PolarHBondContact O-N 3.32Å; I908-L917 HydrophobicContact CG2-CD1 3.96Å; I908-L917 HydrophobicContact CG2-CD2 4.26Å |
| 909 | R | 78.1 | Confident | 78.2 | Confident | 32 Ų | 32 | 34.6 Ų | 34.6 | 12% | 0.121 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.7 | 178.6 | -62.6 | 169.6 | -173.7 | -175.5 | 0.7 | 113.6 | H906 L907 V911 L917 E940 S943 L944 | H906-R909 PolarHBondContact ND1-NH1 2.88Å; H906-R909 WeakPolarHBondContact O-CB 3.35Å; H906-R909 WeakPolarHBondContact O-CD 3.44Å; H906-R909 WeakPolarHBondContact O-CG 3.41Å; H906-R909 PolarHBondContact O-N 3.47Å; L907-R909 PolarHBondContact O-N 3.26Å; R909-V911 VanDerWaalsContact C-N 3.26Å; R909-V911 PolarHBondContact O-N 3.39Å; R909-L917 HydrophobicContact CG-CD2 3.48Å; R909-L917 VanDerWaalsContact CG-CD2 3.48Å; R909-E940 IonicContact CZ-OE2 2.92Å; R909-E940 IonicContact NH1-OE2 3.72Å; R909-E940 PolarHBondContact NH2-O 3.31Å; R909-E940 VanDerWaalsContact NH2-O 3.08Å; R909-E940 IonicContact NH2-OE2 3.71Å; R909-E940 PolarHBondContact NH2-OE2 2.95Å; R909-S943 VanDerWaalsContact CZ-OG 3.27Å; R909-S943 PolarHBondContact NH1-OG 3.1Å; R909-S943 PolarHBondContact NH2-OG 3.49Å; R909-L944 HydrophobicContact CG-CD2 4.04Å; R909-L944 VanDerWaalsContact CZ-CD2 3.47Å; R909-L944 VanDerWaalsContact CZ-CG 3.41Å; R909-L944 VanDerWaalsContact NE-CD2 3.29Å |
| 910 | Q | 76.1 | Confident | 78.7 | Confident | 79 Ų | 79 | 28.3 Ų | 28.3 | 37% | 0.369 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -20.5 | -179.2 | -58.4 | -176.6 | 9.2 | 0 | 0 | 112.3 | A863 L907 I908 | A863-Q910 HydrophobicContact CB-CB 3.72Å; L907-Q910 WeakPolarHBondContact O-CB 3.32Å; L907-Q910 PolarHBondContact O-N 3.07Å; I908-Q910 PolarHBondContact O-N 3.37Å; I908-Q910 VanDerWaalsContact O-N 3.15Å |
| 911 | V | 79.4 | Confident | 79.2 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125 | 1.1 | -174.6 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | I859 F862 A863 R868 L869 I908 R909 | I859-V911 HydrophobicContact CG2-CB 4.36Å; I859-V911 HydrophobicContact CG2-CG1 3.81Å; I859-V911 HydrophobicContact CG2-CG2 3.58Å; F862-V911 HydrophobicContact CB-CG1 4.02Å; A863-V911 HydrophobicContact CB-CG1 3.81Å; R868-V911 WeakPolarHBondContact CA-O 3.48Å; L869-V911 HydrophobicContact CB-CG2 4.4Å; L869-V911 HydrophobicContact CD1-CG2 3.61Å; L869-V911 HydrophobicContact CG-CB 4.15Å; L869-V911 HydrophobicContact CG-CG2 3.66Å; L869-V911 PolarHBondContact N-O 3.22Å; I908-V911 CarbonylContact O-C 3.48Å; I908-V911 WeakPolarHBondContact O-CG2 3.47Å; I908-V911 PolarHBondContact O-N 3.21Å; R909-V911 VanDerWaalsContact C-N 3.26Å; R909-V911 PolarHBondContact O-N 3.39Å |
| 912 | Y | 82.9 | Confident | 79.9 | Confident | 16 Ų | 16 | 26.9 Ų | 26.9 | 6% | 0.063 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -142.4 | 141.6 | -179.1 | -165.2 | -108.8 | 0 | 0 | 0 | 112 | L869 V874 I908 L916 L917 | L869-Y912 WeakPolarHBondContact O-CD2 3.47Å; V874-Y912 HydrophobicContact CG1-CD1 4.45Å; V874-Y912 HydrophobicContact CG2-CD1 4.22Å; V874-Y912 HydrophobicContact CG2-CD2 3.63Å; V874-Y912 HydrophobicContact CG2-CE2 4.08Å; V874-Y912 HydrophobicContact CG2-CG 3.71Å; I908-Y912 WeakPolarHBondContact O-CB 3.29Å; I908-Y912 PolarHBondContact O-N 3.32Å; Y912-L916 HydrophobicContact CD1-CB 4.4Å; Y912-L916 HydrophobicContact CE1-CB 3.49Å; Y912-L916 VanDerWaalsContact CE1-CB 3.49Å; Y912-L917 HydrophobicContact CD1-CB 4.1Å |
| 913 | P | 73.8 | Confident | 80.3 | Confident | 37 Ų | 37 | 31 Ų | 31 | 24% | 0.24 | 16% | 0.161 | C | C | . | . | trans | -58.4 | 128.9 | -176.8 | -26.7 | 36.6 | 0 | 0 | 0 | 113.5 | S915 L916 L917 | P913-S915 VanDerWaalsContact C-N 3.33Å; P913-S915 PolarHBondContact O-N 3.33Å; P913-L916 HydrophobicContact CB-CB 4.37Å; P913-L916 HydrophobicContact CB-CD1 4.11Å; P913-L916 HydrophobicContact CB-CG 4.16Å; P913-L916 HydrophobicContact CG-CD1 4.03Å; P913-L916 PolarHBondContact O-N 3.02Å; P913-L917 PolarHBondContact O-N 3.34Å | ||
| 914 | P | 69.5 | Low | 80.4 | Confident | 56 Ų | 56 | 28.6 Ų | 28.6 | 36% | 0.364 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -57.5 | -38.1 | -178.3 | -29.6 | 36.1 | 0 | 0 | 0 | 114.9 | L917 M918 L944 | P914-L917 PolarHBondContact O-N 3.23Å; P914-M918 WeakPolarHBondContact O-CE 3.46Å; P914-M918 WeakPolarHBondContact O-CG 3.43Å; P914-M918 PolarHBondContact O-N 3.22Å; P914-L944 HydrophobicContact CB-CD2 4.18Å |
| 915 | S | 71.4 | Confident | 80.6 | Confident | 53 Ų | 53 | 28.4 Ų | 28.4 | 37% | 0.371 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61 | -49.1 | 178 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | P913 L917 M918 D919 | P913-S915 VanDerWaalsContact C-N 3.33Å; P913-S915 PolarHBondContact O-N 3.33Å; S915-L917 VanDerWaalsContact C-N 3.34Å; S915-L917 PolarHBondContact O-N 3.34Å; S915-M918 PolarHBondContact O-N 3.47Å; S915-D919 VanDerWaalsContact O-CG 3.31Å; S915-D919 PolarHBondContact O-N 3.48Å |
| 916 | L | 78.5 | Confident | 80.4 | Confident | 70 Ų | 70 | 33.2 Ų | 33.2 | 37% | 0.366 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.7 | -37 | 176.9 | -59.6 | -179.1 | 0 | 0 | 0 | 111.4 | Y912 P913 D919 M920 | Y912-L916 HydrophobicContact CD1-CB 4.4Å; Y912-L916 HydrophobicContact CE1-CB 3.49Å; Y912-L916 VanDerWaalsContact CE1-CB 3.49Å; P913-L916 HydrophobicContact CB-CB 4.37Å; P913-L916 HydrophobicContact CB-CD1 4.11Å; P913-L916 HydrophobicContact CB-CG 4.16Å; P913-L916 HydrophobicContact CG-CD1 4.03Å; P913-L916 PolarHBondContact O-N 3.02Å; L916-D919 PolarHBondContact O-N 2.96Å; L916-M920 WeakPolarHBondContact O-CB 3.38Å; L916-M920 WeakPolarHBondContact O-CG 3.34Å; L916-M920 PolarHBondContact O-N 3.16Å |
| 917 | L | 85.1 | Confident | 80 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 175 | -175.1 | 59.7 | 0 | 0 | 0 | 111.6 | L878 I908 R909 Y912 P913 P914 S915 D919 M920 L921 L944 | L878-L917 HydrophobicContact CD1-CD1 3.85Å; I908-L917 HydrophobicContact CG2-CD1 3.96Å; I908-L917 HydrophobicContact CG2-CD2 4.26Å; R909-L917 HydrophobicContact CG-CD2 3.48Å; R909-L917 VanDerWaalsContact CG-CD2 3.48Å; Y912-L917 HydrophobicContact CD1-CB 4.1Å; P913-L917 PolarHBondContact O-N 3.34Å; P914-L917 PolarHBondContact O-N 3.23Å; S915-L917 VanDerWaalsContact C-N 3.34Å; S915-L917 PolarHBondContact O-N 3.34Å; L917-D919 VanDerWaalsContact C-N 3.34Å; L917-D919 PolarHBondContact O-N 3.49Å; L917-M920 PolarHBondContact O-N 2.89Å; L917-L921 HydrophobicContact CD1-CG 4.34Å; L917-L921 HydrophobicContact CG-CD1 4.15Å; L917-L921 HydrophobicContact CG-CG 4.33Å; L917-L921 WeakPolarHBondContact O-CB 3.48Å; L917-L921 VanDerWaalsContact O-CG 3.3Å; L917-L921 WeakPolarHBondContact O-CG 3.47Å; L917-L921 PolarHBondContact O-N 3.25Å; L917-L944 HydrophobicContact CD2-CD1 4.14Å; L917-L944 HydrophobicContact CG-CD1 4.34Å |
| 918 | M | 84.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 177.1 | -77.1 | -175.9 | -76.1 | 0 | 0 | 111.8 | P914 S915 M920 L921 V922 L941 L944 I945 S948 G953 F954 | P914-M918 WeakPolarHBondContact O-CE 3.46Å; P914-M918 WeakPolarHBondContact O-CG 3.43Å; P914-M918 PolarHBondContact O-N 3.22Å; S915-M918 PolarHBondContact O-N 3.47Å; M918-M920 VanDerWaalsContact C-N 3.29Å; M918-M920 PolarHBondContact O-N 3.28Å; M918-L921 PolarHBondContact O-N 3.49Å; M918-V922 WeakPolarHBondContact O-CG2 3.3Å; M918-V922 PolarHBondContact O-N 3Å; M918-L941 HydrophobicContact CB-CD2 3.83Å; M918-L941 HydrophobicContact CG-CD2 3.8Å; M918-L944 HydrophobicContact CE-CB 4.44Å; M918-L944 HydrophobicContact CG-CB 3.54Å; M918-L944 HydrophobicContact CG-CD1 3.55Å; M918-L944 HydrophobicContact CG-CG 4.12Å; M918-L944 HydrophobicContact SD-CB 3.5Å; M918-L944 WeakPolarHBondContact SD-CB 3.15Å; M918-I945 HydrophobicContact SD-CG1 4.34Å; M918-S948 VanDerWaalsContact CE-CB 3.41Å; M918-G953 WeakPolarHBondContact CE-O 2.93Å; M918-F954 HydrophobicContact CB-CD1 3.98Å; M918-F954 HydrophobicContact CB-CE1 3.86Å; M918-F954 HydrophobicContact CG-CE1 4.48Å; M918-F954 HydrophobicContact SD-CE1 4.41Å |
| 919 | D | 85.2 | Confident | 78.9 | Confident | 18 Ų | 18 | 35.1 Ų | 35.1 | 10% | 0.096 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -41.1 | 177.2 | -62.4 | -29.9 | 0 | 0 | 0 | 111.8 | S915 L916 L917 V922 K923 T955 H959 | S915-D919 VanDerWaalsContact O-CG 3.31Å; S915-D919 PolarHBondContact O-N 3.48Å; L916-D919 PolarHBondContact O-N 2.96Å; L917-D919 VanDerWaalsContact C-N 3.34Å; L917-D919 PolarHBondContact O-N 3.49Å; D919-V922 PolarHBondContact O-N 3.37Å; D919-K923 WeakPolarHBondContact O-CB 3.37Å; D919-K923 PolarHBondContact O-N 3.47Å; D919-T955 PolarHBondContact OD1-N 3.48Å; D919-T955 PolarHBondContact OD1-OG1 3.3Å; D919-T955 VanDerWaalsContact OD2-CB 3.23Å; D919-T955 WeakPolarHBondContact OD2-CB 3.46Å; D919-T955 WeakPolarHBondContact OD2-CG2 3.28Å; D919-T955 PolarHBondContact OD2-OG1 3.12Å; D919-H959 IonicContact OD1-CE1 2.72Å; D919-H959 PolarHBondContact OD1-CE1 3.26Å; D919-H959 IonicContact OD1-ND1 2.71Å; D919-H959 PolarHBondContact OD1-ND1 2.95Å |
| 920 | M | 85.2 | Confident | 78.5 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66 | -44.9 | 177.1 | -66.7 | -89.9 | -88.8 | 0 | 0 | 111.4 | E871 V874 N875 L878 L916 L917 M918 V922 K923 Y924 | E871-M920 HydrophobicContact CG-CE 3.69Å; E871-M920 HydrophobicContact CG-SD 4.27Å; V874-M920 HydrophobicContact CG1-CE 4.19Å; N875-M920 VanDerWaalsContact CG-CE 3.45Å; N875-M920 WeakPolarHBondContact OD1-CE 3.47Å; L878-M920 HydrophobicContact CD1-CB 4.46Å; L916-M920 WeakPolarHBondContact O-CB 3.38Å; L916-M920 WeakPolarHBondContact O-CG 3.34Å; L916-M920 PolarHBondContact O-N 3.16Å; L917-M920 PolarHBondContact O-N 2.89Å; M918-M920 VanDerWaalsContact C-N 3.29Å; M918-M920 PolarHBondContact O-N 3.28Å; M920-V922 PolarHBondContact O-N 3.24Å; M920-K923 WeakPolarHBondContact O-CB 3.49Å; M920-K923 PolarHBondContact O-N 3.45Å; M920-Y924 HydrophobicContact CB-CD2 4.45Å; M920-Y924 HydrophobicContact CB-CE2 4.45Å; M920-Y924 HydrophobicContact CE-CE2 4.42Å; M920-Y924 WeakPolarHBondContact O-CD2 3.45Å; M920-Y924 PolarHBondContact O-N 3.14Å; M920-Y924 HydrophobicContact SD-CE2 4.26Å |
| 921 | L | 88.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 176.5 | -71.9 | 176 | 0 | 0 | 0 | 111.7 | L882 I905 L917 M918 Y924 M925 E940 L941 L944 | L882-L921 HydrophobicContact CD1-CD2 3.83Å; I905-L921 HydrophobicContact CG2-CD1 4.09Å; I905-L921 HydrophobicContact CG2-CD2 3.92Å; L917-L921 HydrophobicContact CD1-CG 4.34Å; L917-L921 HydrophobicContact CG-CD1 4.15Å; L917-L921 HydrophobicContact CG-CG 4.33Å; L917-L921 WeakPolarHBondContact O-CB 3.48Å; L917-L921 VanDerWaalsContact O-CG 3.3Å; L917-L921 WeakPolarHBondContact O-CG 3.47Å; L917-L921 PolarHBondContact O-N 3.25Å; M918-L921 PolarHBondContact O-N 3.49Å; L921-Y924 PolarHBondContact O-N 3.14Å; L921-M925 WeakPolarHBondContact O-CB 3.49Å; L921-M925 PolarHBondContact O-N 3.08Å; L921-E940 HydrophobicContact CD1-CB 4.15Å; L921-L941 HydrophobicContact CB-CD2 3.93Å; L921-L941 HydrophobicContact CB-CG 4.13Å; L921-L941 HydrophobicContact CD1-CD2 4.21Å; L921-L941 HydrophobicContact CD1-CG 4.39Å; L921-L944 HydrophobicContact CD1-CD1 3.89Å |
| 922 | V | 88.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 176 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | M918 D919 M920 L941 F954 H959 L962 I963 | M918-V922 WeakPolarHBondContact O-CG2 3.3Å; M918-V922 PolarHBondContact O-N 3Å; D919-V922 PolarHBondContact O-N 3.37Å; M920-V922 PolarHBondContact O-N 3.24Å; V922-L941 HydrophobicContact CG2-CD1 3.58Å; V922-L941 HydrophobicContact CG2-CD2 4Å; V922-L941 HydrophobicContact CG2-CG 4.45Å; V922-F954 HydrophobicContact CG2-CD1 4.25Å; V922-F954 HydrophobicContact CG2-CE1 3.67Å; V922-F954 HydrophobicContact CG2-CZ 4.37Å; V922-H959 HydrophobicContact CB-CB 4.44Å; V922-H959 HydrophobicContact CG1-CB 4Å; V922-H959 HydrophobicContact CG2-CB 4.2Å; V922-L962 HydrophobicContact CG1-CB 3.77Å; V922-L962 HydrophobicContact CG1-CD1 3.65Å; V922-L962 HydrophobicContact CG1-CG 4.35Å; V922-I963 HydrophobicContact CG2-CD1 4.19Å; V922-I963 HydrophobicContact CG2-CG1 4.3Å |
| 923 | K | 82.4 | Confident | 78.6 | Confident | 103 Ų | 103 | 35.3 Ų | 35.3 | 45% | 0.448 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.1 | -45.6 | 176.9 | -178.6 | -175.6 | 174.6 | -168.8 | 0 | 111.8 | D919 M920 | D919-K923 WeakPolarHBondContact O-CB 3.37Å; D919-K923 PolarHBondContact O-N 3.47Å; M920-K923 WeakPolarHBondContact O-CB 3.49Å; M920-K923 PolarHBondContact O-N 3.45Å |
| 924 | Y | 80.1 | Confident | 79.3 | Confident | 11 Ų | 11 | 35.6 Ų | 35.6 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -78.3 | -28.7 | -178.7 | -72.1 | -58.1 | 0 | 0 | 0 | 113.9 | N875 I879 L882 M920 L921 H926 Q927 C928 | N875-Y924 WeakPolarHBondContact OD1-CE2 3.45Å; N875-Y924 PolarHBondContact OD1-OH 3.07Å; I879-Y924 HydrophobicContact CD1-CE1 4.28Å; I879-Y924 WeakPolarHBondContact CD1-OH 3.48Å; I879-Y924 HydrophobicContact CG1-CD1 4.43Å; I879-Y924 HydrophobicContact CG1-CE1 3.55Å; I879-Y924 HydrophobicContact CG1-CE2 4.41Å; I879-Y924 WeakPolarHBondContact CG1-OH 3.34Å; L882-Y924 HydrophobicContact CD1-CD2 4.35Å; L882-Y924 HydrophobicContact CD1-CG 4.27Å; M920-Y924 HydrophobicContact CB-CD2 4.45Å; M920-Y924 HydrophobicContact CB-CE2 4.45Å; M920-Y924 HydrophobicContact CE-CE2 4.42Å; M920-Y924 WeakPolarHBondContact O-CD2 3.45Å; M920-Y924 PolarHBondContact O-N 3.14Å; M920-Y924 HydrophobicContact SD-CE2 4.26Å; L921-Y924 PolarHBondContact O-N 3.14Å; Y924-H926 PolarHBondContact O-N 2.89Å; Y924-Q927 WeakPolarHBondContact O-CA 3.25Å; Y924-Q927 WeakPolarHBondContact O-CB 3.41Å; Y924-Q927 PolarHBondContact O-N 3Å; Y924-C928 PolarHBondContact O-N 3.45Å; Y924-C928 PolarHBondContact O-SG 3.05Å |
| 925 | M | 84.2 | Confident | 80.1 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -52.9 | -38.7 | 175.3 | 177.5 | -173.8 | 67.1 | 0 | 0 | 112.2 | L921 Q927 C928 R934 C937 L938 I963 Q966 | L921-M925 WeakPolarHBondContact O-CB 3.49Å; L921-M925 PolarHBondContact O-N 3.08Å; M925-Q927 VanDerWaalsContact C-N 3.28Å; M925-Q927 PolarHBondContact O-N 3.35Å; M925-C928 WeakPolarHBondContact O-CB 3.4Å; M925-C928 PolarHBondContact O-N 2.94Å; M925-R934 HydrophobicContact CG-CB 4.45Å; M925-R934 HydrophobicContact CG-CG 4.44Å; M925-R934 WeakPolarHBondContact O-CG 3.47Å; M925-C937 HydrophobicContact CB-CB 3.99Å; M925-C937 HydrophobicContact CG-CB 4.19Å; M925-L938 HydrophobicContact SD-CD1 4.25Å; M925-L938 HydrophobicContact SD-CD2 3.42Å; M925-L938 WeakPolarHBondContact SD-CD2 3.48Å; M925-L938 HydrophobicContact SD-CG 3.6Å; M925-L938 VanDerWaalsContact SD-CG 3.6Å; M925-I963 HydrophobicContact CE-CG1 4.31Å; M925-Q966 HydrophobicContact CE-CG 3.64Å; M925-Q966 HydrophobicContact SD-CG 3.73Å |
| 926 | H | 75.1 | Confident | 80.6 | Confident | 102 Ų | 102 | 32.3 Ų | 32.3 | 47% | 0.472 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -17.1 | 178.8 | -130.5 | 85.3 | 0 | 0 | 0 | 113.8 | Y924 Q965 Q966 | Y924-H926 PolarHBondContact O-N 2.89Å; H926-Q965 PolarHBondContact CE1-OE1 3.43Å; H926-Q966 PolarHBondContact ND1-NE2 3.37Å |
| 927 | Q | 70.8 | Confident | 80.9 | Confident | 87 Ų | 87 | 29 Ų | 29 | 41% | 0.407 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -18.9 | 177.8 | -58.9 | 179 | 2.9 | 0 | 0 | 112 | Y924 M925 S929 | Y924-Q927 WeakPolarHBondContact O-CA 3.25Å; Y924-Q927 WeakPolarHBondContact O-CB 3.41Å; Y924-Q927 PolarHBondContact O-N 3Å; M925-Q927 VanDerWaalsContact C-N 3.28Å; M925-Q927 PolarHBondContact O-N 3.35Å; Q927-S929 PolarHBondContact O-N 3.49Å |
| 928 | C | 73.5 | Confident | 81.2 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.027 | 14% | 0.14 | C | C | . | . | trans | -59.2 | 120.4 | 178.1 | -66.7 | 0 | 0 | 0 | 0 | 111.5 | L882 Y924 M925 M933 R934 | L882-C928 WeakPolarHBondContact O-CA 3.46Å; L882-C928 PolarHBondContact O-SG 3.27Å; Y924-C928 PolarHBondContact O-N 3.45Å; Y924-C928 PolarHBondContact O-SG 3.05Å; M925-C928 WeakPolarHBondContact O-CB 3.4Å; M925-C928 PolarHBondContact O-N 2.94Å; C928-M933 HydrophobicContact CB-CB 4.28Å; C928-M933 HydrophobicContact CB-CG 4.47Å; C928-R934 HydrophobicContact CB-CG 3.55Å; C928-R934 PolarHBondContact O-NH1 2.84Å | ||
| 929 | S | 64.6 | Low | 81.2 | Confident | 56 Ų | 56 | 31.7 Ų | 31.7 | 39% | 0.392 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -72.4 | -36 | 178 | 77.2 | 0 | 0 | 0 | 0 | 112.4 | C884 Q927 | C884-S929 WeakPolarHBondContact O-CB 3.36Å; C884-S929 PolarHBondContact O-OG 3.45Å; Q927-S929 PolarHBondContact O-N 3.49Å |
| 930 | T | 69.9 | Low | 81.1 | Confident | 16 Ų | 16 | 31.5 Ų | 31.5 | 10% | 0.098 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -94.9 | 136.6 | -175 | 69 | 0 | 0 | 0 | 0 | 112.1 | R932 M933 R934 | T930-R932 PolarHBondContact O-N 2.73Å; T930-M933 PolarHBondContact O-N 3.38Å; T930-M933 WeakPolarHBondContact OG1-CB 3.34Å; T930-M933 PolarHBondContact OG1-N 2.9Å; T930-R934 PolarHBondContact O-N 3.23Å |
| 931 | A | 80.8 | Confident | 81.1 | Confident | 22 Ų | 22 | 31 Ų | 31 | 18% | 0.182 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.9 | -37.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M933 R934 Q935 D971 V974 | A931-M933 VanDerWaalsContact C-N 3.3Å; A931-M933 PolarHBondContact O-N 2.92Å; A931-R934 PolarHBondContact O-N 3.19Å; A931-Q935 WeakPolarHBondContact O-CB 3.3Å; A931-Q935 PolarHBondContact O-N 3.13Å; A931-D971 HydrophobicContact CB-CB 3.49Å; A931-D971 VanDerWaalsContact CB-CB 3.49Å; A931-V974 HydrophobicContact CB-CG2 3.84Å; A931-V974 WeakPolarHBondContact O-CG2 3.36Å |
| 932 | R | 81 | Confident | 80.9 | Confident | 93 Ų | 93 | 33 Ų | 33 | 35% | 0.351 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.7 | -36.9 | 179 | -172.1 | 61.6 | -178.1 | 158.1 | 10.1 | 112.7 | Y898 T930 Q935 I936 | Y898-R932 HydrophobicContact CD1-CB 4.47Å; Y898-R932 HydrophobicContact CD1-CG 3.68Å; Y898-R932 HydrophobicContact CD2-CG 4.29Å; Y898-R932 HydrophobicContact CE1-CB 3.84Å; Y898-R932 HydrophobicContact CE1-CG 3.52Å; Y898-R932 HydrophobicContact CE2-CG 4.16Å; Y898-R932 HydrophobicContact CG-CG 4.06Å; T930-R932 PolarHBondContact O-N 2.73Å; R932-Q935 VanDerWaalsContact NH1-CD 3.32Å; R932-Q935 WeakPolarHBondContact O-CB 3.19Å; R932-Q935 PolarHBondContact O-N 3.5Å; R932-I936 HydrophobicContact CG-CD1 4.47Å; R932-I936 WeakPolarHBondContact O-CG1 3.42Å; R932-I936 PolarHBondContact O-N 3.44Å |
| 933 | M | 78.9 | Confident | 80.2 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -75.1 | -39.1 | 178.1 | -163.2 | 59.7 | 69.3 | 0 | 0 | 112 | L881 L882 L889 Y898 C928 T930 A931 Q935 I936 C937 | L881-M933 WeakPolarHBondContact O-CE 3.37Å; L882-M933 HydrophobicContact CB-CG 4.48Å; L882-M933 HydrophobicContact CD2-CG 3.75Å; L882-M933 HydrophobicContact CD2-SD 3.56Å; L882-M933 VanDerWaalsContact CD2-SD 3.56Å; L889-M933 HydrophobicContact CD1-CE 4.41Å; Y898-M933 HydrophobicContact CD1-CE 4.15Å; Y898-M933 HydrophobicContact CE1-CE 4.08Å; C928-M933 HydrophobicContact CB-CB 4.28Å; C928-M933 HydrophobicContact CB-CG 4.47Å; T930-M933 PolarHBondContact O-N 3.38Å; T930-M933 WeakPolarHBondContact OG1-CB 3.34Å; T930-M933 PolarHBondContact OG1-N 2.9Å; A931-M933 VanDerWaalsContact C-N 3.3Å; A931-M933 PolarHBondContact O-N 2.92Å; M933-Q935 PolarHBondContact O-N 3.18Å; M933-I936 PolarHBondContact O-N 3.45Å; M933-I936 VanDerWaalsContact O-N 3.15Å; M933-I936 HydrophobicContact SD-CB 4.39Å; M933-I936 HydrophobicContact SD-CD1 4.14Å; M933-C937 PolarHBondContact O-N 3Å; M933-C937 PolarHBondContact O-SG 3.46Å |
| 934 | R | 87.5 | Confident | 79.7 | Confident | 44 Ų | 44 | 29.5 Ų | 29.5 | 17% | 0.166 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.8 | -43 | 169.3 | -68.3 | -162.6 | -66.8 | -97.1 | 4.1 | 111.4 | M925 C928 T930 A931 C937 L938 D969 V974 | M925-R934 HydrophobicContact CG-CB 4.45Å; M925-R934 HydrophobicContact CG-CG 4.44Å; M925-R934 WeakPolarHBondContact O-CG 3.47Å; C928-R934 HydrophobicContact CB-CG 3.55Å; C928-R934 PolarHBondContact O-NH1 2.84Å; T930-R934 PolarHBondContact O-N 3.23Å; A931-R934 PolarHBondContact O-N 3.19Å; R934-C937 PolarHBondContact O-N 3.19Å; R934-L938 WeakPolarHBondContact O-CG 3.34Å; R934-L938 PolarHBondContact O-N 3.37Å; R934-D969 IonicContact CZ-OD2 3.5Å; R934-D969 IonicContact NE-OD2 3.71Å; R934-D969 PolarHBondContact NE-OD2 2.84Å; R934-D969 IonicContact NH2-OD1 2.78Å; R934-D969 PolarHBondContact NH2-OD1 3.01Å; R934-D969 IonicContact NH2-OD2 3.84Å; R934-D969 PolarHBondContact NH2-OD2 3.49Å; R934-V974 HydrophobicContact CB-CG1 4.28Å; R934-V974 HydrophobicContact CB-CG2 4.04Å |
| 935 | Q | 86.9 | Confident | 79.3 | Confident | 33 Ų | 33 | 29.2 Ų | 29.2 | 15% | 0.154 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 175.3 | -175.2 | 177 | 13.6 | 0 | 0 | 112 | A931 R932 M933 C937 L938 D939 V974 S977 | A931-Q935 WeakPolarHBondContact O-CB 3.3Å; A931-Q935 PolarHBondContact O-N 3.13Å; R932-Q935 VanDerWaalsContact NH1-CD 3.32Å; R932-Q935 WeakPolarHBondContact O-CB 3.19Å; R932-Q935 PolarHBondContact O-N 3.5Å; M933-Q935 PolarHBondContact O-N 3.18Å; Q935-C937 PolarHBondContact O-N 3.02Å; Q935-L938 PolarHBondContact O-N 3.41Å; Q935-L938 VanDerWaalsContact O-N 3.15Å; Q935-D939 WeakPolarHBondContact O-CB 3.34Å; Q935-D939 PolarHBondContact O-N 3.48Å; Q935-V974 HydrophobicContact CB-CG2 4.26Å; Q935-S977 WeakPolarHBondContact CG-OG 3.31Å; Q935-S977 PolarHBondContact NE2-OG 3Å |
| 936 | I | 82.3 | Confident | 78.2 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.4 | -46.2 | 177 | -69.4 | 164.3 | 0 | 0 | 0 | 110.7 | Y898 I905 R932 M933 L938 D939 E940 | Y898-I936 HydrophobicContact CD1-CD1 3.67Å; Y898-I936 HydrophobicContact CG-CD1 4.34Å; I905-I936 HydrophobicContact CD1-CG2 3.98Å; R932-I936 HydrophobicContact CG-CD1 4.47Å; R932-I936 WeakPolarHBondContact O-CG1 3.42Å; R932-I936 PolarHBondContact O-N 3.44Å; M933-I936 PolarHBondContact O-N 3.45Å; M933-I936 VanDerWaalsContact O-N 3.15Å; M933-I936 HydrophobicContact SD-CB 4.39Å; M933-I936 HydrophobicContact SD-CD1 4.14Å; I936-L938 VanDerWaalsContact C-N 3.28Å; I936-L938 PolarHBondContact O-N 3.42Å; I936-D939 PolarHBondContact O-N 3.1Å; I936-E940 HydrophobicContact CG2-CG 4.24Å; I936-E940 WeakPolarHBondContact O-CB 3.17Å; I936-E940 VanDerWaalsContact O-CG 3.31Å; I936-E940 WeakPolarHBondContact O-CG 3.29Å; I936-E940 PolarHBondContact O-N 3.33Å |
| 937 | C | 85.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.4 | -44.8 | 174.9 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | L882 M925 M933 R934 Q935 E940 L941 | L882-C937 WeakPolarHBondContact CD2-SG 3.05Å; M925-C937 HydrophobicContact CB-CB 3.99Å; M925-C937 HydrophobicContact CG-CB 4.19Å; M933-C937 PolarHBondContact O-N 3Å; M933-C937 PolarHBondContact O-SG 3.46Å; R934-C937 PolarHBondContact O-N 3.19Å; Q935-C937 PolarHBondContact O-N 3.02Å; C937-E940 PolarHBondContact O-N 3.27Å; C937-L941 WeakPolarHBondContact O-CB 3.45Å; C937-L941 WeakPolarHBondContact O-CG 3.23Å; C937-L941 PolarHBondContact O-N 3.11Å |
| 938 | L | 89.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.6 | -40.3 | 179.7 | -73.2 | 165.4 | 0 | 0 | 0 | 112.9 | M925 R934 Q935 I936 E940 L941 L942 I963 Q966 V974 A978 | M925-L938 HydrophobicContact SD-CD1 4.25Å; M925-L938 HydrophobicContact SD-CD2 3.42Å; M925-L938 WeakPolarHBondContact SD-CD2 3.48Å; M925-L938 HydrophobicContact SD-CG 3.6Å; M925-L938 VanDerWaalsContact SD-CG 3.6Å; R934-L938 WeakPolarHBondContact O-CG 3.34Å; R934-L938 PolarHBondContact O-N 3.37Å; Q935-L938 PolarHBondContact O-N 3.41Å; Q935-L938 VanDerWaalsContact O-N 3.15Å; I936-L938 VanDerWaalsContact C-N 3.28Å; I936-L938 PolarHBondContact O-N 3.42Å; L938-E940 VanDerWaalsContact C-N 3.35Å; L938-L941 PolarHBondContact O-N 3.32Å; L938-L942 VanDerWaalsContact O-CB 3.26Å; L938-L942 WeakPolarHBondContact O-CB 3.31Å; L938-L942 PolarHBondContact O-N 3.2Å; L938-I963 HydrophobicContact CD2-CG1 4.5Å; L938-I963 HydrophobicContact CD2-CG2 3.93Å; L938-Q966 HydrophobicContact CD1-CB 4.24Å; L938-Q966 HydrophobicContact CD1-CG 4.33Å; L938-Q966 HydrophobicContact CD2-CG 4.47Å; L938-V974 HydrophobicContact CD1-CG1 3.77Å; L938-A978 HydrophobicContact CD1-CB 3.9Å; L938-A978 HydrophobicContact CD2-CB 4.25Å |
| 939 | D | 85 | Confident | 74.9 | Confident | 57 Ų | 57 | 32.4 Ų | 32.4 | 31% | 0.305 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 176.2 | -72.5 | -24.9 | 0 | 0 | 0 | 110.8 | Q935 I936 L942 S943 S977 | Q935-D939 WeakPolarHBondContact O-CB 3.34Å; Q935-D939 PolarHBondContact O-N 3.48Å; I936-D939 PolarHBondContact O-N 3.1Å; D939-L942 WeakPolarHBondContact O-CB 3.24Å; D939-L942 PolarHBondContact O-N 2.84Å; D939-S943 PolarHBondContact O-N 3.45Å; D939-S943 VanDerWaalsContact O-N 3.1Å; D939-S977 WeakPolarHBondContact OD1-CB 3.45Å; D939-S977 PolarHBondContact OD1-OG 3.14Å |
| 940 | E | 83.4 | Confident | 74.2 | Confident | 15 Ų | 15 | 31.9 Ų | 31.9 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.8 | -42.9 | 175 | -67.4 | -57.5 | 160.5 | 0 | 0 | 111.4 | S902 I905 R909 L921 I936 C937 L938 L942 S943 L944 | S902-E940 PolarHBondContact OG-OE1 3.21Å; I905-E940 HydrophobicContact CB-CG 4.23Å; I905-E940 HydrophobicContact CG2-CB 4.02Å; I905-E940 HydrophobicContact CG2-CG 3.75Å; R909-E940 IonicContact CZ-OE2 2.92Å; R909-E940 IonicContact NH1-OE2 3.72Å; R909-E940 PolarHBondContact NH2-O 3.31Å; R909-E940 VanDerWaalsContact NH2-O 3.08Å; R909-E940 IonicContact NH2-OE2 3.71Å; R909-E940 PolarHBondContact NH2-OE2 2.95Å; L921-E940 HydrophobicContact CD1-CB 4.15Å; I936-E940 HydrophobicContact CG2-CG 4.24Å; I936-E940 WeakPolarHBondContact O-CB 3.17Å; I936-E940 VanDerWaalsContact O-CG 3.31Å; I936-E940 WeakPolarHBondContact O-CG 3.29Å; I936-E940 PolarHBondContact O-N 3.33Å; C937-E940 PolarHBondContact O-N 3.27Å; L938-E940 VanDerWaalsContact C-N 3.35Å; E940-L942 VanDerWaalsContact C-N 3.34Å; E940-L942 PolarHBondContact O-N 2.83Å; E940-S943 PolarHBondContact O-N 2.94Å; E940-S943 VanDerWaalsContact O-N 3.09Å; E940-S943 PolarHBondContact O-OG 3.33Å; E940-L944 WeakPolarHBondContact O-CG 3.42Å; E940-L944 PolarHBondContact O-N 3.4Å |
| 941 | L | 85.7 | Confident | 72.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 172.3 | -75.3 | 172.3 | 0 | 0 | 0 | 111.9 | M918 L921 V922 C937 L938 S943 L944 I945 F954 I963 | M918-L941 HydrophobicContact CB-CD2 3.83Å; M918-L941 HydrophobicContact CG-CD2 3.8Å; L921-L941 HydrophobicContact CB-CD2 3.93Å; L921-L941 HydrophobicContact CB-CG 4.13Å; L921-L941 HydrophobicContact CD1-CD2 4.21Å; L921-L941 HydrophobicContact CD1-CG 4.39Å; V922-L941 HydrophobicContact CG2-CD1 3.58Å; V922-L941 HydrophobicContact CG2-CD2 4Å; V922-L941 HydrophobicContact CG2-CG 4.45Å; C937-L941 WeakPolarHBondContact O-CB 3.45Å; C937-L941 WeakPolarHBondContact O-CG 3.23Å; C937-L941 PolarHBondContact O-N 3.11Å; L938-L941 PolarHBondContact O-N 3.32Å; L941-S943 PolarHBondContact O-N 3.38Å; L941-L944 PolarHBondContact O-N 3.27Å; L941-I945 WeakPolarHBondContact O-CG1 2.99Å; L941-I945 PolarHBondContact O-N 2.91Å; L941-F954 HydrophobicContact CD2-CE1 3.97Å; L941-F954 HydrophobicContact CD2-CZ 4.47Å; L941-I963 HydrophobicContact CD1-CD1 4.22Å; L941-I963 HydrophobicContact CD1-CG1 4.38Å |
| 942 | L | 83.5 | Confident | 71.5 | Confident | 40 Ų | 40 | 36.4 Ų | 36.4 | 21% | 0.209 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56 | -37 | 175 | 170.9 | 65.7 | 0 | 0 | 0 | 111.5 | L938 D939 E940 P946 N980 C981 V984 | L938-L942 VanDerWaalsContact O-CB 3.26Å; L938-L942 WeakPolarHBondContact O-CB 3.31Å; L938-L942 PolarHBondContact O-N 3.2Å; D939-L942 WeakPolarHBondContact O-CB 3.24Å; D939-L942 PolarHBondContact O-N 2.84Å; E940-L942 VanDerWaalsContact C-N 3.34Å; E940-L942 PolarHBondContact O-N 2.83Å; L942-P946 WeakPolarHBondContact O-CD 3.34Å; L942-N980 HydrophobicContact CD1-CB 4.32Å; L942-N980 HydrophobicContact CD2-CB 3.9Å; L942-C981 HydrophobicContact CB-CB 4.37Å; L942-V984 HydrophobicContact CD1-CB 3.92Å; L942-V984 HydrophobicContact CD1-CG2 3.4Å; L942-V984 VanDerWaalsContact CD1-CG2 3.4Å |
| 943 | S | 73.6 | Confident | 70.3 | Confident | 29 Ų | 29 | 32.1 Ų | 32.1 | 20% | 0.203 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -77 | -22.8 | 176.1 | 79.2 | 0 | 0 | 0 | 0 | 113.9 | R909 D939 E940 L941 R947 | R909-S943 VanDerWaalsContact CZ-OG 3.27Å; R909-S943 PolarHBondContact NH1-OG 3.1Å; R909-S943 PolarHBondContact NH2-OG 3.49Å; D939-S943 PolarHBondContact O-N 3.45Å; D939-S943 VanDerWaalsContact O-N 3.1Å; E940-S943 PolarHBondContact O-N 2.94Å; E940-S943 VanDerWaalsContact O-N 3.09Å; E940-S943 PolarHBondContact O-OG 3.33Å; L941-S943 PolarHBondContact O-N 3.38Å; S943-R947 PolarHBondContact O-NH1 2.95Å |
| 944 | L | 71.2 | Confident | 69.8 | Low | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -88.6 | -35.3 | -179.5 | -74.8 | 169.3 | 0 | 0 | 0 | 113.6 | R909 P914 L917 M918 L921 E940 L941 R947 S948 | R909-L944 HydrophobicContact CG-CD2 4.04Å; R909-L944 VanDerWaalsContact CZ-CD2 3.47Å; R909-L944 VanDerWaalsContact CZ-CG 3.41Å; R909-L944 VanDerWaalsContact NE-CD2 3.29Å; P914-L944 HydrophobicContact CB-CD2 4.18Å; L917-L944 HydrophobicContact CD2-CD1 4.14Å; L917-L944 HydrophobicContact CG-CD1 4.34Å; M918-L944 HydrophobicContact CE-CB 4.44Å; M918-L944 HydrophobicContact CG-CB 3.54Å; M918-L944 HydrophobicContact CG-CD1 3.55Å; M918-L944 HydrophobicContact CG-CG 4.12Å; M918-L944 HydrophobicContact SD-CB 3.5Å; M918-L944 WeakPolarHBondContact SD-CB 3.15Å; L921-L944 HydrophobicContact CD1-CD1 3.89Å; E940-L944 WeakPolarHBondContact O-CG 3.42Å; E940-L944 PolarHBondContact O-N 3.4Å; L941-L944 PolarHBondContact O-N 3.27Å; L944-R947 CarbonylContact O-C 3.25Å; L944-R947 WeakPolarHBondContact O-CA 3.41Å; L944-R947 PolarHBondContact O-N 3.01Å; L944-S948 PolarHBondContact O-N 2.83Å |
| 945 | I | 72.6 | Confident | 68.7 | Low | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -56.1 | -43.7 | -177.4 | -71.1 | 164.4 | 0 | 0 | 0 | 112.8 | M918 L941 R947 S948 F954 C981 V984 F988 | M918-I945 HydrophobicContact SD-CG1 4.34Å; L941-I945 WeakPolarHBondContact O-CG1 2.99Å; L941-I945 PolarHBondContact O-N 2.91Å; I945-R947 PolarHBondContact O-N 3.13Å; I945-S948 PolarHBondContact O-N 2.87Å; I945-S948 PolarHBondContact O-OG 3.09Å; I945-F954 HydrophobicContact CD1-CE2 4.34Å; I945-F954 HydrophobicContact CD1-CZ 4.04Å; I945-F954 HydrophobicContact CG1-CE2 4.41Å; I945-F954 HydrophobicContact CG1-CZ 4.08Å; I945-C981 WeakPolarHBondContact CD1-SG 3.32Å; I945-V984 HydrophobicContact CB-CG1 4.39Å; I945-V984 HydrophobicContact CG2-CG1 3.9Å; I945-F988 HydrophobicContact CG2-CD2 4.18Å |
| 946 | P | 60.7 | Low | 67.8 | Low | 54 Ų | 54 | 35.4 Ų | 35.4 | 35% | 0.351 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -63.6 | -27.2 | 176.1 | -23.1 | 33.7 | 0 | 0 | 0 | 113.6 | L942 V984 F988 | L942-P946 WeakPolarHBondContact O-CD 3.34Å; P946-V984 HydrophobicContact CG-CG1 3.83Å; P946-F988 HydrophobicContact CB-CE2 4.12Å; P946-F988 HydrophobicContact CB-CZ 4.05Å; P946-F988 HydrophobicContact CG-CE2 4.3Å |
| 947 | R | 54.8 | Low | 67.1 | Low | 133 Ų | 133 | 41.3 Ų | 41.3 | 50% | 0.502 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -94.4 | -5.8 | -173.5 | -64.9 | 177.9 | 169.6 | 85.1 | 3 | 113.1 | S943 L944 I945 G949 | S943-R947 PolarHBondContact O-NH1 2.95Å; L944-R947 CarbonylContact O-C 3.25Å; L944-R947 WeakPolarHBondContact O-CA 3.41Å; L944-R947 PolarHBondContact O-N 3.01Å; I945-R947 PolarHBondContact O-N 3.13Å; R947-G949 PolarHBondContact O-N 3.18Å |
| 948 | S | 52.1 | Low | 66.6 | Low | 27 Ų | 27 | 46.4 Ų | 46.4 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -74.2 | -10.3 | -169.3 | 58.9 | 0 | 0 | 0 | 0 | 115 | M918 L944 I945 D950 G953 | M918-S948 VanDerWaalsContact CE-CB 3.41Å; L944-S948 PolarHBondContact O-N 2.83Å; I945-S948 PolarHBondContact O-N 2.87Å; I945-S948 PolarHBondContact O-OG 3.09Å; S948-D950 PolarHBondContact O-N 3.4Å; S948-D950 PolarHBondContact OG-O 3.28Å; S948-G953 WeakPolarHBondContact OG-CA 3.24Å |
| 949 | G | 43.9 | Very low | 66.4 | Low | 46 Ų | 46 | 47.4 Ų | 47.4 | 47% | 0.474 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 66.3 | -29.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | R947 K1165 | R947-G949 PolarHBondContact O-N 3.18Å; G949-K1165 WeakPolarHBondContact O-CE 3.19Å; G949-K1165 PolarHBondContact O-NZ 3.38Å |
| 950 | D | 48.2 | Very low | 66.4 | Low | 45 Ų | 45 | 44.9 Ų | 44.9 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -88.6 | 127.6 | 169.2 | -172.6 | -26.9 | 0 | 0 | 0 | 109.1 | S948 R952 G953 | S948-D950 PolarHBondContact O-N 3.4Å; S948-D950 PolarHBondContact OG-O 3.28Å; D950-R952 PolarHBondContact O-N 3.46Å; D950-R952 VanDerWaalsContact O-N 3.15Å; D950-R952 VanDerWaalsContact OD1-CB 3.27Å; D950-R952 WeakPolarHBondContact OD1-CB 3.39Å; D950-R952 PolarHBondContact OD1-N 3.23Å; D950-R952 IonicContact OD1-NE 3.54Å; D950-R952 PolarHBondContact OD1-NE 3.31Å; D950-R952 IonicContact OD2-CZ 2.57Å; D950-R952 IonicContact OD2-NE 3.07Å; D950-R952 PolarHBondContact OD2-NE 3.18Å; D950-R952 VanDerWaalsContact OD2-NE 3.14Å; D950-R952 IonicContact OD2-NH2 3Å; D950-R952 PolarHBondContact OD2-NH2 2.96Å; D950-G953 WeakPolarHBondContact O-CA 3.27Å; D950-G953 PolarHBondContact O-N 3.49Å |
| 951 | P | 44.3 | Very low | 66.6 | Low | 41 Ų | 41 | 48.4 Ų | 48.4 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.9 | 174.1 | 25.5 | -34.3 | 0 | 0 | 0 | 113.4 | F988 L989 | P951-F988 HydrophobicContact CB-CB 4.27Å; P951-L989 HydrophobicContact CB-CD2 4.12Å; P951-L989 WeakPolarHBondContact O-CG 3.09Å |
| 952 | R | 50.3 | Low | 66.5 | Low | 93 Ų | 93 | 50.5 Ų | 50.5 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -31.4 | 170.8 | -60.8 | 172.3 | -64.7 | -175.4 | 3.9 | 112.1 | D950 F954 L989 | D950-R952 PolarHBondContact O-N 3.46Å; D950-R952 VanDerWaalsContact O-N 3.15Å; D950-R952 VanDerWaalsContact OD1-CB 3.27Å; D950-R952 WeakPolarHBondContact OD1-CB 3.39Å; D950-R952 PolarHBondContact OD1-N 3.23Å; D950-R952 IonicContact OD1-NE 3.54Å; D950-R952 PolarHBondContact OD1-NE 3.31Å; D950-R952 IonicContact OD2-CZ 2.57Å; D950-R952 IonicContact OD2-NE 3.07Å; D950-R952 PolarHBondContact OD2-NE 3.18Å; D950-R952 VanDerWaalsContact OD2-NE 3.14Å; D950-R952 IonicContact OD2-NH2 3Å; D950-R952 PolarHBondContact OD2-NH2 2.96Å; R952-F954 WeakPolarHBondContact O-CD2 3.29Å; R952-F954 WeakPolarHBondContact O-CE2 3.23Å; R952-F954 PolarHBondContact O-N 2.83Å; R952-L989 HydrophobicContact CG-CD2 3.9Å |
| 953 | G | 55.7 | Low | 66.8 | Low | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | trans | 64 | -1.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | M918 S948 D950 | M918-G953 WeakPolarHBondContact CE-O 2.93Å; S948-G953 WeakPolarHBondContact OG-CA 3.24Å; D950-G953 WeakPolarHBondContact O-CA 3.27Å; D950-G953 PolarHBondContact O-N 3.49Å | ||
| 954 | F | 68 | Low | 67.6 | Low | 9 Ų | 9 | 47.5 Ų | 47.5 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -131.2 | 148.7 | -173.2 | -61 | -68.9 | 0 | 0 | 0 | 110.7 | M918 V922 L941 I945 R952 S956 H959 L960 I963 | M918-F954 HydrophobicContact CB-CD1 3.98Å; M918-F954 HydrophobicContact CB-CE1 3.86Å; M918-F954 HydrophobicContact CG-CE1 4.48Å; M918-F954 HydrophobicContact SD-CE1 4.41Å; V922-F954 HydrophobicContact CG2-CD1 4.25Å; V922-F954 HydrophobicContact CG2-CE1 3.67Å; V922-F954 HydrophobicContact CG2-CZ 4.37Å; L941-F954 HydrophobicContact CD2-CE1 3.97Å; L941-F954 HydrophobicContact CD2-CZ 4.47Å; I945-F954 HydrophobicContact CD1-CE2 4.34Å; I945-F954 HydrophobicContact CD1-CZ 4.04Å; I945-F954 HydrophobicContact CG1-CE2 4.41Å; I945-F954 HydrophobicContact CG1-CZ 4.08Å; R952-F954 WeakPolarHBondContact O-CD2 3.29Å; R952-F954 WeakPolarHBondContact O-CE2 3.23Å; R952-F954 PolarHBondContact O-N 2.83Å; F954-S956 VanDerWaalsContact C-N 3.27Å; F954-H959 HydrophobicContact CB-CB 3.78Å; F954-H959 HydrophobicContact CD1-CB 3.61Å; F954-H959 AromaticContact CD1-ND1 3.76Å; F954-H959 HydrophobicContact CD2-CB 3.9Å; F954-H959 HydrophobicContact CE1-CB 4.19Å; F954-H959 HydrophobicContact CE2-CB 4.5Å; F954-H959 HydrophobicContact CG-CB 3.47Å; F954-H959 VanDerWaalsContact CG-CB 3.47Å; F954-H959 AromaticContact CG-ND1 3.93Å; F954-L960 HydrophobicContact CD2-CD2 4.33Å; F954-L960 HydrophobicContact CD2-CG 3.94Å; F954-L960 HydrophobicContact CE2-CD2 3.78Å; F954-L960 HydrophobicContact CE2-CG 3.89Å; F954-I963 HydrophobicContact CE1-CD1 4.2Å; F954-I963 HydrophobicContact CE2-CD1 3.87Å; F954-I963 HydrophobicContact CZ-CD1 3.4Å |
| 955 | T | 65.4 | Low | 68.4 | Low | 100 Ų | 100 | 51.7 Ų | 51.7 | 61% | 0.613 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -76.3 | -19.7 | 173.4 | 68.4 | 0 | 0 | 0 | 0 | 112.5 | D919 | D919-T955 PolarHBondContact OD1-N 3.48Å; D919-T955 PolarHBondContact OD1-OG1 3.3Å; D919-T955 VanDerWaalsContact OD2-CB 3.23Å; D919-T955 WeakPolarHBondContact OD2-CB 3.46Å; D919-T955 WeakPolarHBondContact OD2-CG2 3.28Å; D919-T955 PolarHBondContact OD2-OG1 3.12Å |
| 956 | S | 68.6 | Low | 69.2 | Low | 40 Ų | 40 | 52 Ų | 52 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -116.9 | 131.8 | -179.2 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | F954 L958 H959 | F954-S956 VanDerWaalsContact C-N 3.27Å; S956-L958 PolarHBondContact O-N 3.13Å; S956-L958 VanDerWaalsContact O-N 3.11Å; S956-L958 PolarHBondContact OG-N 2.89Å; S956-H959 VanDerWaalsContact CB-CE1 3.41Å; S956-H959 WeakPolarHBondContact CB-CE1 3.42Å; S956-H959 PolarHBondContact O-N 3.42Å |
| 957 | E | 67.8 | Low | 70.5 | Confident | 130 Ų | 130 | 49.5 Ų | 49.5 | 61% | 0.607 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.9 | 174.3 | -62.9 | 178.5 | 179.8 | 0 | 0 | 112.9 | H959 | E957-H959 VanDerWaalsContact C-N 3.33Å; E957-H959 PolarHBondContact O-N 3.18Å |
| 958 | L | 75.1 | Confident | 72 | Confident | 107 Ų | 107 | 45.3 Ų | 45.3 | 56% | 0.56 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -76.3 | -16.9 | -179.3 | -65.5 | 170.8 | 0 | 0 | 0 | 113.5 | S956 K961 L962 | S956-L958 PolarHBondContact O-N 3.13Å; S956-L958 VanDerWaalsContact O-N 3.11Å; S956-L958 PolarHBondContact OG-N 2.89Å; L958-K961 WeakPolarHBondContact O-CB 3.37Å; L958-K961 PolarHBondContact O-N 3.23Å; L958-L962 WeakPolarHBondContact O-CG 3.33Å; L958-L962 PolarHBondContact O-N 3.18Å |
| 959 | H | 84.8 | Confident | 73.7 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 10% | 0.102 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.2 | -42 | -170.7 | -69.3 | 161.6 | 0 | 0 | 0 | 113.2 | D919 V922 F954 S956 E957 K961 L962 I963 | D919-H959 IonicContact OD1-CE1 2.72Å; D919-H959 PolarHBondContact OD1-CE1 3.26Å; D919-H959 IonicContact OD1-ND1 2.71Å; D919-H959 PolarHBondContact OD1-ND1 2.95Å; V922-H959 HydrophobicContact CB-CB 4.44Å; V922-H959 HydrophobicContact CG1-CB 4Å; V922-H959 HydrophobicContact CG2-CB 4.2Å; F954-H959 HydrophobicContact CB-CB 3.78Å; F954-H959 HydrophobicContact CD1-CB 3.61Å; F954-H959 AromaticContact CD1-ND1 3.76Å; F954-H959 HydrophobicContact CD2-CB 3.9Å; F954-H959 HydrophobicContact CE1-CB 4.19Å; F954-H959 HydrophobicContact CE2-CB 4.5Å; F954-H959 HydrophobicContact CG-CB 3.47Å; F954-H959 VanDerWaalsContact CG-CB 3.47Å; F954-H959 AromaticContact CG-ND1 3.93Å; S956-H959 VanDerWaalsContact CB-CE1 3.41Å; S956-H959 WeakPolarHBondContact CB-CE1 3.42Å; S956-H959 PolarHBondContact O-N 3.42Å; E957-H959 VanDerWaalsContact C-N 3.33Å; E957-H959 PolarHBondContact O-N 3.18Å; H959-K961 PolarHBondContact O-N 3.47Å; H959-L962 WeakPolarHBondContact O-CB 3.23Å; H959-L962 PolarHBondContact O-N 3.34Å; H959-I963 WeakPolarHBondContact O-CG1 3.48Å; H959-I963 PolarHBondContact O-N 3.08Å |
| 960 | L | 85 | Confident | 75.5 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61 | -35.4 | 173.4 | -78.1 | 169.7 | 0 | 0 | 0 | 112.3 | F954 I963 A964 A985 L989 H996 I997 | F954-L960 HydrophobicContact CD2-CD2 4.33Å; F954-L960 HydrophobicContact CD2-CG 3.94Å; F954-L960 HydrophobicContact CE2-CD2 3.78Å; F954-L960 HydrophobicContact CE2-CG 3.89Å; L960-I963 PolarHBondContact O-N 2.84Å; L960-A964 WeakPolarHBondContact O-CB 3.49Å; L960-A964 PolarHBondContact O-N 3.22Å; L960-A985 HydrophobicContact CD2-CB 3.59Å; L960-L989 HydrophobicContact CD1-CD1 3.39Å; L960-H996 HydrophobicContact CB-CB 4.49Å; L960-H996 HydrophobicContact CD1-CB 3.79Å; L960-I997 HydrophobicContact CB-CG2 4.06Å |
| 961 | K | 86.7 | Confident | 77.3 | Confident | 88 Ų | 88 | 47.2 Ų | 47.2 | 38% | 0.383 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 174 | -176.5 | 174.6 | -177.6 | -178 | 0 | 112.2 | L958 H959 A964 Q965 I997 | L958-K961 WeakPolarHBondContact O-CB 3.37Å; L958-K961 PolarHBondContact O-N 3.23Å; H959-K961 PolarHBondContact O-N 3.47Å; K961-A964 PolarHBondContact O-N 3.08Å; K961-Q965 VanDerWaalsContact O-CG 3.31Å; K961-Q965 WeakPolarHBondContact O-CG 3.44Å; K961-Q965 PolarHBondContact O-N 3.27Å; K961-I997 WeakPolarHBondContact CG-O 3.46Å |
| 962 | L | 85.6 | Confident | 79.3 | Confident | 45 Ų | 45 | 50 Ų | 50 | 24% | 0.236 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.3 | -35 | 175.4 | -69.1 | 175.7 | 0 | 0 | 0 | 112.4 | V922 L958 H959 Q966 | V922-L962 HydrophobicContact CG1-CB 3.77Å; V922-L962 HydrophobicContact CG1-CD1 3.65Å; V922-L962 HydrophobicContact CG1-CG 4.35Å; L958-L962 WeakPolarHBondContact O-CG 3.33Å; L958-L962 PolarHBondContact O-N 3.18Å; H959-L962 WeakPolarHBondContact O-CB 3.23Å; H959-L962 PolarHBondContact O-N 3.34Å; L962-Q966 PolarHBondContact O-NE2 3.09Å |
| 963 | I | 89.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 172 | -64 | 166.3 | 0 | 0 | 0 | 110.1 | V922 M925 L938 L941 F954 H959 L960 Q965 Q966 C981 L982 | V922-I963 HydrophobicContact CG2-CD1 4.19Å; V922-I963 HydrophobicContact CG2-CG1 4.3Å; M925-I963 HydrophobicContact CE-CG1 4.31Å; L938-I963 HydrophobicContact CD2-CG1 4.5Å; L938-I963 HydrophobicContact CD2-CG2 3.93Å; L941-I963 HydrophobicContact CD1-CD1 4.22Å; L941-I963 HydrophobicContact CD1-CG1 4.38Å; F954-I963 HydrophobicContact CE1-CD1 4.2Å; F954-I963 HydrophobicContact CE2-CD1 3.87Å; F954-I963 HydrophobicContact CZ-CD1 3.4Å; H959-I963 WeakPolarHBondContact O-CG1 3.48Å; H959-I963 PolarHBondContact O-N 3.08Å; L960-I963 PolarHBondContact O-N 2.84Å; I963-Q965 PolarHBondContact O-N 2.65Å; I963-Q966 VanDerWaalsContact O-CB 3.27Å; I963-Q966 WeakPolarHBondContact O-CB 3.49Å; I963-Q966 PolarHBondContact O-N 3.32Å; I963-C981 HydrophobicContact CG2-CB 4.24Å; I963-L982 HydrophobicContact CB-CD2 4.34Å; I963-L982 HydrophobicContact CG2-CD2 3.89Å; I963-L982 HydrophobicContact CG2-CG 3.9Å |
| 964 | A | 89.3 | Confident | 82.6 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.9 | -36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L960 K961 Q966 L967 L982 I997 L1000 | L960-A964 WeakPolarHBondContact O-CB 3.49Å; L960-A964 PolarHBondContact O-N 3.22Å; K961-A964 PolarHBondContact O-N 3.08Å; A964-Q966 PolarHBondContact O-N 2.76Å; A964-L967 WeakPolarHBondContact O-CB 3.37Å; A964-L967 WeakPolarHBondContact O-CG 3.09Å; A964-L967 PolarHBondContact O-N 3.39Å; A964-L967 VanDerWaalsContact O-N 3.12Å; A964-L982 HydrophobicContact CB-CD1 4.3Å; A964-L982 HydrophobicContact CB-CD2 4.22Å; A964-I997 HydrophobicContact CB-CB 4.26Å; A964-I997 HydrophobicContact CB-CG2 4.27Å; A964-L1000 HydrophobicContact CB-CD1 4.01Å; A964-L1000 HydrophobicContact CB-CD2 4.23Å; A964-L1000 HydrophobicContact CB-CG 4.39Å |
| 965 | Q | 87.6 | Confident | 83.6 | Confident | 90 Ų | 90 | 49.6 Ų | 49.6 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -61.9 | -23.3 | 174.7 | -74.3 | 170.1 | 0.8 | 0 | 0 | 113.5 | H926 K961 I963 L967 A968 | H926-Q965 PolarHBondContact CE1-OE1 3.43Å; K961-Q965 VanDerWaalsContact O-CG 3.31Å; K961-Q965 WeakPolarHBondContact O-CG 3.44Å; K961-Q965 PolarHBondContact O-N 3.27Å; I963-Q965 PolarHBondContact O-N 2.65Å; Q965-L967 PolarHBondContact O-N 3.18Å; Q965-A968 PolarHBondContact O-N 3.1Å |
| 966 | Q | 89.5 | Confident | 84.7 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -71.9 | -10.7 | 177 | -53.8 | -53.1 | -60.2 | 0 | 0 | 113.1 | M925 H926 L938 L962 I963 A964 A968 D969 V974 A978 | M925-Q966 HydrophobicContact CE-CG 3.64Å; M925-Q966 HydrophobicContact SD-CG 3.73Å; H926-Q966 PolarHBondContact ND1-NE2 3.37Å; L938-Q966 HydrophobicContact CD1-CB 4.24Å; L938-Q966 HydrophobicContact CD1-CG 4.33Å; L938-Q966 HydrophobicContact CD2-CG 4.47Å; L962-Q966 PolarHBondContact O-NE2 3.09Å; I963-Q966 VanDerWaalsContact O-CB 3.27Å; I963-Q966 WeakPolarHBondContact O-CB 3.49Å; I963-Q966 PolarHBondContact O-N 3.32Å; A964-Q966 PolarHBondContact O-N 2.76Å; Q966-A968 PolarHBondContact O-N 2.87Å; Q966-D969 VanDerWaalsContact O-CB 3.23Å; Q966-D969 WeakPolarHBondContact O-CB 2.83Å; Q966-D969 PolarHBondContact O-N 3.05Å; Q966-D969 VanDerWaalsContact O-N 3.15Å; Q966-V974 HydrophobicContact CB-CG1 4.15Å; Q966-A978 HydrophobicContact CB-CB 3.73Å |
| 967 | L | 88.9 | Confident | 85.7 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -65.6 | -21.4 | 170.4 | -66.5 | 176.4 | 0 | 0 | 0 | 112.6 | A964 Q965 D969 K975 A978 L979 L982 L1000 D1004 L1007 I1008 | A964-L967 WeakPolarHBondContact O-CB 3.37Å; A964-L967 WeakPolarHBondContact O-CG 3.09Å; A964-L967 PolarHBondContact O-N 3.39Å; A964-L967 VanDerWaalsContact O-N 3.12Å; Q965-L967 PolarHBondContact O-N 3.18Å; L967-D969 VanDerWaalsContact C-N 3.3Å; L967-K975 WeakPolarHBondContact O-CE 3.42Å; L967-K975 WeakPolarHBondContact O-CG 3.46Å; L967-A978 HydrophobicContact CD2-CB 4.22Å; L967-L979 HydrophobicContact CD2-CB 3.96Å; L967-L979 HydrophobicContact CD2-CD1 4.28Å; L967-L982 HydrophobicContact CD1-CD1 3.69Å; L967-L982 HydrophobicContact CD2-CD1 4.29Å; L967-L982 HydrophobicContact CG-CD1 3.97Å; L967-L1000 HydrophobicContact CD1-CD2 3.89Å; L967-D1004 HydrophobicContact CB-CB 4.38Å; L967-D1004 HydrophobicContact CD1-CB 4.08Å; L967-L1007 HydrophobicContact CD2-CD2 4.14Å; L967-I1008 HydrophobicContact CD1-CD1 3.81Å; L967-I1008 HydrophobicContact CD1-CG1 3.96Å |
| 968 | A | 85.2 | Confident | 86.9 | Confident | 45 Ų | 45 | 43 Ų | 43 | 37% | 0.372 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -83.3 | -0.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q965 Q966 | Q965-A968 PolarHBondContact O-N 3.1Å; Q966-A968 PolarHBondContact O-N 2.87Å |
| 969 | D | 88 | Confident | 87.6 | Confident | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.064 | 21% | 0.21 | C | C | . | . | trans | -63.4 | 145 | -178.1 | -159 | -62.1 | 0 | 0 | 0 | 111.8 | R934 Q966 L967 D971 V974 K975 | R934-D969 IonicContact CZ-OD2 3.5Å; R934-D969 IonicContact NE-OD2 3.71Å; R934-D969 PolarHBondContact NE-OD2 2.84Å; R934-D969 IonicContact NH2-OD1 2.78Å; R934-D969 PolarHBondContact NH2-OD1 3.01Å; R934-D969 IonicContact NH2-OD2 3.84Å; R934-D969 PolarHBondContact NH2-OD2 3.49Å; Q966-D969 VanDerWaalsContact O-CB 3.23Å; Q966-D969 WeakPolarHBondContact O-CB 2.83Å; Q966-D969 PolarHBondContact O-N 3.05Å; Q966-D969 VanDerWaalsContact O-N 3.15Å; L967-D969 VanDerWaalsContact C-N 3.3Å; D969-D971 VanDerWaalsContact C-N 3.28Å; D969-D971 PolarHBondContact O-N 3.41Å; D969-D971 PolarHBondContact OD1-N 2.83Å; D969-V974 HydrophobicContact CB-CB 4.02Å; D969-V974 HydrophobicContact CB-CG1 3.69Å; D969-K975 VanDerWaalsContact O-CD 3.28Å; D969-K975 WeakPolarHBondContact O-CD 3.46Å; D969-K975 WeakPolarHBondContact O-CE 3.48Å; D969-K975 PolarHBondContact O-NZ 3.23Å | ||
| 970 | S | 82.4 | Confident | 87.6 | Confident | 88 Ų | 88 | 39.7 Ų | 39.7 | 62% | 0.615 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -70.4 | -26.8 | 177.4 | 48.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 971 | D | 86.3 | Confident | 87.6 | Confident | 58 Ų | 58 | 39.5 Ų | 39.5 | 31% | 0.31 | 22% | 0.219 | S | C | . | . | trans | -81.1 | 128.5 | -179.7 | -173.3 | -90.3 | 0 | 0 | 0 | 112.7 | A931 D969 G973 V974 K975 | A931-D971 HydrophobicContact CB-CB 3.49Å; A931-D971 VanDerWaalsContact CB-CB 3.49Å; D969-D971 VanDerWaalsContact C-N 3.28Å; D969-D971 PolarHBondContact O-N 3.41Å; D969-D971 PolarHBondContact OD1-N 2.83Å; D971-G973 VanDerWaalsContact C-N 3.34Å; D971-G973 PolarHBondContact O-N 3.34Å; D971-G973 VanDerWaalsContact OD1-CA 3.26Å; D971-G973 WeakPolarHBondContact OD1-CA 3.48Å; D971-G973 PolarHBondContact OD1-N 3.43Å; D971-V974 HydrophobicContact CB-CB 4.29Å; D971-V974 HydrophobicContact CB-CG2 3.96Å; D971-V974 PolarHBondContact O-N 3.02Å; D971-V974 PolarHBondContact OD1-N 3.01Å; D971-K975 PolarHBondContact O-N 3.11Å; D971-K975 VanDerWaalsContact O-N 3.12Å | ||
| 972 | S | 85.7 | Confident | 87.7 | Confident | 98 Ų | 98 | 35.3 Ų | 35.3 | 69% | 0.685 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -67.9 | -30 | -178.9 | 65.2 | 0 | 0 | 0 | 0 | 113.7 | K976 | S972-K976 WeakPolarHBondContact O-CB 3.46Å; S972-K976 PolarHBondContact O-N 3.21Å |
| 973 | G | 84.6 | Confident | 87.6 | Confident | 14 Ų | 14 | 34 Ų | 34 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.6 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D971 K976 S977 | D971-G973 VanDerWaalsContact C-N 3.34Å; D971-G973 PolarHBondContact O-N 3.34Å; D971-G973 VanDerWaalsContact OD1-CA 3.26Å; D971-G973 WeakPolarHBondContact OD1-CA 3.48Å; D971-G973 PolarHBondContact OD1-N 3.43Å; G973-K976 PolarHBondContact O-N 3.09Å; G973-S977 WeakPolarHBondContact O-CB 3.46Å; G973-S977 PolarHBondContact O-N 2.87Å; G973-S977 PolarHBondContact O-OG 2.88Å |
| 974 | V | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -50.3 | 173.4 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | A931 R934 Q935 L938 Q966 D969 D971 K976 S977 A978 | A931-V974 HydrophobicContact CB-CG2 3.84Å; A931-V974 WeakPolarHBondContact O-CG2 3.36Å; R934-V974 HydrophobicContact CB-CG1 4.28Å; R934-V974 HydrophobicContact CB-CG2 4.04Å; Q935-V974 HydrophobicContact CB-CG2 4.26Å; L938-V974 HydrophobicContact CD1-CG1 3.77Å; Q966-V974 HydrophobicContact CB-CG1 4.15Å; D969-V974 HydrophobicContact CB-CB 4.02Å; D969-V974 HydrophobicContact CB-CG1 3.69Å; D971-V974 HydrophobicContact CB-CB 4.29Å; D971-V974 HydrophobicContact CB-CG2 3.96Å; D971-V974 PolarHBondContact O-N 3.02Å; D971-V974 PolarHBondContact OD1-N 3.01Å; V974-K976 VanDerWaalsContact C-N 3.34Å; V974-K976 PolarHBondContact O-N 3.15Å; V974-S977 PolarHBondContact O-N 3.48Å; V974-A978 WeakPolarHBondContact O-CB 3.46Å; V974-A978 PolarHBondContact O-N 3.42Å |
| 975 | K | 90.9 | Very high | 86.4 | Confident | 82 Ų | 82 | 35.2 Ų | 35.2 | 36% | 0.357 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -53.5 | -48.6 | 176.4 | -80.7 | 173.8 | 155.8 | 143.4 | 0 | 112.5 | L967 D969 D971 S977 L979 | L967-K975 WeakPolarHBondContact O-CE 3.42Å; L967-K975 WeakPolarHBondContact O-CG 3.46Å; D969-K975 VanDerWaalsContact O-CD 3.28Å; D969-K975 WeakPolarHBondContact O-CD 3.46Å; D969-K975 WeakPolarHBondContact O-CE 3.48Å; D969-K975 PolarHBondContact O-NZ 3.23Å; D971-K975 PolarHBondContact O-N 3.11Å; D971-K975 VanDerWaalsContact O-N 3.12Å; K975-S977 PolarHBondContact O-N 3.35Å; K975-L979 VanDerWaalsContact O-CB 3.27Å; K975-L979 WeakPolarHBondContact O-CB 3.17Å; K975-L979 PolarHBondContact O-N 2.85Å |
| 976 | K | 88.1 | Confident | 85.9 | Confident | 127 Ų | 127 | 34.3 Ų | 34.3 | 55% | 0.552 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -61.9 | -43 | 179.4 | -176.6 | 175.5 | -178.9 | 175.6 | 0 | 112 | S972 G973 V974 L979 N980 | S972-K976 WeakPolarHBondContact O-CB 3.46Å; S972-K976 PolarHBondContact O-N 3.21Å; G973-K976 PolarHBondContact O-N 3.09Å; V974-K976 VanDerWaalsContact C-N 3.34Å; V974-K976 PolarHBondContact O-N 3.15Å; K976-L979 PolarHBondContact O-N 3.36Å; K976-N980 VanDerWaalsContact O-CG 3.22Å; K976-N980 PolarHBondContact O-N 3.1Å; K976-N980 PolarHBondContact O-ND2 3.46Å |
| 977 | S | 89.8 | Confident | 85 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.9 | -38.2 | -176.9 | -47.7 | 0 | 0 | 0 | 0 | 111.3 | Q935 D939 G973 V974 K975 N980 C981 | Q935-S977 WeakPolarHBondContact CG-OG 3.31Å; Q935-S977 PolarHBondContact NE2-OG 3Å; D939-S977 WeakPolarHBondContact OD1-CB 3.45Å; D939-S977 PolarHBondContact OD1-OG 3.14Å; G973-S977 WeakPolarHBondContact O-CB 3.46Å; G973-S977 PolarHBondContact O-N 2.87Å; G973-S977 PolarHBondContact O-OG 2.88Å; V974-S977 PolarHBondContact O-N 3.48Å; K975-S977 PolarHBondContact O-N 3.35Å; S977-N980 PolarHBondContact O-N 3.14Å; S977-C981 VanDerWaalsContact O-CB 3.26Å; S977-C981 WeakPolarHBondContact O-CB 3.07Å; S977-C981 PolarHBondContact O-N 2.74Å |
| 978 | A | 91.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | L938 Q966 L967 V974 C981 L982 | L938-A978 HydrophobicContact CD1-CB 3.9Å; L938-A978 HydrophobicContact CD2-CB 4.25Å; Q966-A978 HydrophobicContact CB-CB 3.73Å; L967-A978 HydrophobicContact CD2-CB 4.22Å; V974-A978 WeakPolarHBondContact O-CB 3.46Å; V974-A978 PolarHBondContact O-N 3.42Å; A978-C981 WeakPolarHBondContact O-CB 3.41Å; A978-C981 PolarHBondContact O-N 2.9Å; A978-L982 WeakPolarHBondContact O-CB 3.43Å; A978-L982 VanDerWaalsContact O-CG 3.23Å; A978-L982 WeakPolarHBondContact O-CG 3.12Å; A978-L982 PolarHBondContact O-N 3.08Å |
| 979 | L | 89.5 | Confident | 82.9 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 177.8 | -173.6 | 59.1 | 0 | 0 | 0 | 112.1 | L967 K975 K976 C981 L982 C983 L1007 I1008 Y1011 | L967-L979 HydrophobicContact CD2-CB 3.96Å; L967-L979 HydrophobicContact CD2-CD1 4.28Å; K975-L979 VanDerWaalsContact O-CB 3.27Å; K975-L979 WeakPolarHBondContact O-CB 3.17Å; K975-L979 PolarHBondContact O-N 2.85Å; K976-L979 PolarHBondContact O-N 3.36Å; L979-C981 VanDerWaalsContact C-N 3.33Å; L979-C981 PolarHBondContact O-N 3.34Å; L979-L982 PolarHBondContact O-N 3.32Å; L979-C983 WeakPolarHBondContact O-CB 3.42Å; L979-C983 PolarHBondContact O-N 3.28Å; L979-C983 PolarHBondContact O-SG 2.96Å; L979-L1007 HydrophobicContact CD1-CD2 4.16Å; L979-L1007 HydrophobicContact CD2-CD2 3.8Å; L979-L1007 HydrophobicContact CD2-CG 4.19Å; L979-I1008 HydrophobicContact CD1-CB 4.41Å; L979-I1008 HydrophobicContact CD1-CG1 3.83Å; L979-Y1011 HydrophobicContact CD1-CG 4.46Å; L979-Y1011 HydrophobicContact CD2-CD1 3.64Å; L979-Y1011 HydrophobicContact CD2-CD2 3.35Å; L979-Y1011 HydrophobicContact CD2-CE1 3.72Å; L979-Y1011 HydrophobicContact CD2-CE2 3.42Å; L979-Y1011 VanDerWaalsContact CD2-CE2 3.42Å; L979-Y1011 HydrophobicContact CD2-CG 3.42Å; L979-Y1011 VanDerWaalsContact CD2-CG 3.42Å; L979-Y1011 HydrophobicContact CG-CD1 4.17Å; L979-Y1011 HydrophobicContact CG-CD2 4.37Å; L979-Y1011 HydrophobicContact CG-CG 4.03Å |
| 980 | N | 86.4 | Confident | 82.2 | Confident | 57 Ų | 57 | 41.2 Ų | 41.2 | 31% | 0.305 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.8 | -46.4 | 175.2 | -72.2 | -16.3 | 0 | 0 | 0 | 111.7 | L942 K976 S977 L982 C983 V984 | L942-N980 HydrophobicContact CD1-CB 4.32Å; L942-N980 HydrophobicContact CD2-CB 3.9Å; K976-N980 VanDerWaalsContact O-CG 3.22Å; K976-N980 PolarHBondContact O-N 3.1Å; K976-N980 PolarHBondContact O-ND2 3.46Å; S977-N980 PolarHBondContact O-N 3.14Å; N980-L982 PolarHBondContact O-N 3.48Å; N980-C983 PolarHBondContact O-N 2.77Å; N980-V984 WeakPolarHBondContact O-CG2 3.48Å; N980-V984 PolarHBondContact O-N 2.95Å |
| 981 | C | 84.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 177.9 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | L942 I945 I963 S977 A978 L979 V984 A985 | L942-C981 HydrophobicContact CB-CB 4.37Å; I945-C981 WeakPolarHBondContact CD1-SG 3.32Å; I963-C981 HydrophobicContact CG2-CB 4.24Å; S977-C981 VanDerWaalsContact O-CB 3.26Å; S977-C981 WeakPolarHBondContact O-CB 3.07Å; S977-C981 PolarHBondContact O-N 2.74Å; A978-C981 WeakPolarHBondContact O-CB 3.41Å; A978-C981 PolarHBondContact O-N 2.9Å; L979-C981 VanDerWaalsContact C-N 3.33Å; L979-C981 PolarHBondContact O-N 3.34Å; C981-V984 PolarHBondContact O-N 3.35Å; C981-A985 PolarHBondContact O-N 3.45Å |
| 982 | L | 87.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.1 | -38.1 | 176 | -68.6 | 166.8 | 0 | 0 | 0 | 113 | I963 A964 L967 A978 L979 N980 V984 A985 Y986 F993 I997 I1008 | I963-L982 HydrophobicContact CB-CD2 4.34Å; I963-L982 HydrophobicContact CG2-CD2 3.89Å; I963-L982 HydrophobicContact CG2-CG 3.9Å; A964-L982 HydrophobicContact CB-CD1 4.3Å; A964-L982 HydrophobicContact CB-CD2 4.22Å; L967-L982 HydrophobicContact CD1-CD1 3.69Å; L967-L982 HydrophobicContact CD2-CD1 4.29Å; L967-L982 HydrophobicContact CG-CD1 3.97Å; A978-L982 WeakPolarHBondContact O-CB 3.43Å; A978-L982 VanDerWaalsContact O-CG 3.23Å; A978-L982 WeakPolarHBondContact O-CG 3.12Å; A978-L982 PolarHBondContact O-N 3.08Å; L979-L982 PolarHBondContact O-N 3.32Å; N980-L982 PolarHBondContact O-N 3.48Å; L982-V984 VanDerWaalsContact C-N 3.35Å; L982-A985 PolarHBondContact O-N 3.41Å; L982-Y986 WeakPolarHBondContact O-CB 3.5Å; L982-Y986 PolarHBondContact O-N 3.47Å; L982-F993 HydrophobicContact CB-CE2 4.19Å; L982-F993 HydrophobicContact CB-CZ 4.01Å; L982-F993 HydrophobicContact CD2-CE2 3.98Å; L982-F993 HydrophobicContact CD2-CZ 4.07Å; L982-F993 WeakPolarHBondContact O-CE2 3.25Å; L982-I997 HydrophobicContact CD2-CG2 4.07Å; L982-I1008 HydrophobicContact CD1-CD1 4.25Å |
| 983 | C | 83.2 | Confident | 80.5 | Confident | 16 Ų | 16 | 36.5 Ų | 36.5 | 11% | 0.108 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -41 | 175.8 | -73.6 | 0 | 0 | 0 | 0 | 111.3 | L979 N980 Y986 K987 L1012 | L979-C983 WeakPolarHBondContact O-CB 3.42Å; L979-C983 PolarHBondContact O-N 3.28Å; L979-C983 PolarHBondContact O-SG 2.96Å; N980-C983 PolarHBondContact O-N 2.77Å; C983-Y986 PolarHBondContact O-N 3.33Å; C983-K987 WeakPolarHBondContact O-CG 3.47Å; C983-K987 PolarHBondContact O-N 3.48Å; C983-L1012 HydrophobicContact CB-CD2 4.46Å |
| 984 | V | 75.1 | Confident | 80.4 | Confident | 30 Ų | 30 | 39.3 Ų | 39.3 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -46.8 | 172.9 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | L942 I945 P946 N980 C981 L982 Y986 K987 F988 | L942-V984 HydrophobicContact CD1-CB 3.92Å; L942-V984 HydrophobicContact CD1-CG2 3.4Å; L942-V984 VanDerWaalsContact CD1-CG2 3.4Å; I945-V984 HydrophobicContact CB-CG1 4.39Å; I945-V984 HydrophobicContact CG2-CG1 3.9Å; P946-V984 HydrophobicContact CG-CG1 3.83Å; N980-V984 WeakPolarHBondContact O-CG2 3.48Å; N980-V984 PolarHBondContact O-N 2.95Å; C981-V984 PolarHBondContact O-N 3.35Å; L982-V984 VanDerWaalsContact C-N 3.35Å; V984-Y986 VanDerWaalsContact C-N 3.3Å; V984-Y986 PolarHBondContact O-N 3.22Å; V984-K987 WeakPolarHBondContact O-CB 3.47Å; V984-K987 PolarHBondContact O-N 3.32Å; V984-K987 VanDerWaalsContact O-N 3.13Å; V984-F988 HydrophobicContact CG1-CD2 4.02Å; V984-F988 HydrophobicContact CG1-CE2 3.73Å; V984-F988 WeakPolarHBondContact O-CD2 3.47Å; V984-F988 PolarHBondContact O-N 2.7Å |
| 985 | A | 79.2 | Confident | 79.8 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 2% | 0.017 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | L960 C981 L982 F988 L989 F993 | L960-A985 HydrophobicContact CD2-CB 3.59Å; C981-A985 PolarHBondContact O-N 3.45Å; L982-A985 PolarHBondContact O-N 3.41Å; A985-F988 PolarHBondContact O-N 2.89Å; A985-L989 WeakPolarHBondContact O-CB 3.42Å; A985-L989 PolarHBondContact O-N 3.45Å; A985-F993 HydrophobicContact CB-CD2 4.34Å; A985-F993 HydrophobicContact CB-CE2 4.26Å |
| 986 | Y | 77.2 | Confident | 78.9 | Confident | 71 Ų | 71 | 44 Ų | 44 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.9 | -42 | 175 | 178.9 | -96 | 0 | 0 | 0 | 111.8 | L982 C983 V984 F988 L989 G990 F993 W994 L1012 | L982-Y986 WeakPolarHBondContact O-CB 3.5Å; L982-Y986 PolarHBondContact O-N 3.47Å; C983-Y986 PolarHBondContact O-N 3.33Å; V984-Y986 VanDerWaalsContact C-N 3.3Å; V984-Y986 PolarHBondContact O-N 3.22Å; Y986-F988 PolarHBondContact O-N 2.93Å; Y986-L989 PolarHBondContact O-N 3.1Å; Y986-G990 WeakPolarHBondContact CE2-O 3.45Å; Y986-G990 WeakPolarHBondContact O-CA 3.45Å; Y986-G990 PolarHBondContact O-N 3.05Å; Y986-F993 HydrophobicContact CD2-CB 3.65Å; Y986-F993 AromaticContact CD2-CD1 3.45Å; Y986-F993 HydrophobicContact CD2-CD1 3.45Å; Y986-F993 VanDerWaalsContact CD2-CD1 3.45Å; Y986-F993 HydrophobicContact CD2-CD2 4.42Å; Y986-F993 HydrophobicContact CD2-CE1 4.12Å; Y986-F993 AromaticContact CD2-CG 3.61Å; Y986-F993 HydrophobicContact CD2-CG 3.61Å; Y986-F993 HydrophobicContact CE2-CB 4.38Å; Y986-F993 HydrophobicContact CE2-CD1 4.27Å; Y986-F993 HydrophobicContact CG-CD1 4.31Å; Y986-F993 HydrophobicContact CG-CG 4.3Å; Y986-W994 AromaticContact CE2-NE1 3.61Å; Y986-L1012 HydrophobicContact CD1-CD1 3.59Å; Y986-L1012 HydrophobicContact CD1-CD2 3.33Å; Y986-L1012 HydrophobicContact CD1-CG 4.08Å; Y986-L1012 HydrophobicContact CD2-CD1 4.01Å; Y986-L1012 HydrophobicContact CE1-CD1 3.64Å; Y986-L1012 HydrophobicContact CE1-CD2 3.89Å; Y986-L1012 HydrophobicContact CE1-CG 4.31Å; Y986-L1012 HydrophobicContact CE2-CD1 4.08Å; Y986-L1012 HydrophobicContact CG-CD1 3.77Å; Y986-L1012 HydrophobicContact CG-CD2 3.94Å |
| 987 | K | 69.8 | Low | 78.4 | Confident | 132 Ų | 132 | 38 Ų | 38 | 57% | 0.574 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -57.9 | -32.6 | 175.4 | -72.9 | 176.8 | 179.4 | -172.3 | 0 | 112.1 | C983 V984 | C983-K987 WeakPolarHBondContact O-CG 3.47Å; C983-K987 PolarHBondContact O-N 3.48Å; V984-K987 WeakPolarHBondContact O-CB 3.47Å; V984-K987 PolarHBondContact O-N 3.32Å; V984-K987 VanDerWaalsContact O-N 3.13Å |
| 988 | F | 66 | Low | 77.8 | Confident | 41 Ų | 41 | 39.4 Ų | 39.4 | 18% | 0.18 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -86.4 | -37.5 | 178.4 | -74 | -73.3 | 0 | 0 | 0 | 114.4 | I945 P946 P951 V984 A985 Y986 P1074 F1161 | I945-F988 HydrophobicContact CG2-CD2 4.18Å; P946-F988 HydrophobicContact CB-CE2 4.12Å; P946-F988 HydrophobicContact CB-CZ 4.05Å; P946-F988 HydrophobicContact CG-CE2 4.3Å; P951-F988 HydrophobicContact CB-CB 4.27Å; V984-F988 HydrophobicContact CG1-CD2 4.02Å; V984-F988 HydrophobicContact CG1-CE2 3.73Å; V984-F988 WeakPolarHBondContact O-CD2 3.47Å; V984-F988 PolarHBondContact O-N 2.7Å; A985-F988 PolarHBondContact O-N 2.89Å; Y986-F988 PolarHBondContact O-N 2.93Å; F988-P1074 HydrophobicContact CE1-CB 4.45Å; F988-P1074 HydrophobicContact CE1-CG 4.45Å; F988-F1161 HydrophobicContact CE1-CE2 4.36Å |
| 989 | L | 65.5 | Low | 77.1 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -92 | -18 | -175.9 | -71.1 | 167.1 | 0 | 0 | 0 | 113.8 | P951 R952 L960 A985 Y986 S991 L992 F993 | P951-L989 HydrophobicContact CB-CD2 4.12Å; P951-L989 WeakPolarHBondContact O-CG 3.09Å; R952-L989 HydrophobicContact CG-CD2 3.9Å; L960-L989 HydrophobicContact CD1-CD1 3.39Å; A985-L989 WeakPolarHBondContact O-CB 3.42Å; A985-L989 PolarHBondContact O-N 3.45Å; Y986-L989 PolarHBondContact O-N 3.1Å; L989-S991 PolarHBondContact O-N 2.73Å; L989-L992 HydrophobicContact CB-CB 4.44Å; L989-L992 WeakPolarHBondContact O-CB 3.47Å; L989-L992 PolarHBondContact O-N 3.16Å; L989-L992 VanDerWaalsContact O-N 3.09Å; L989-F993 HydrophobicContact CB-CB 3.92Å; L989-F993 HydrophobicContact CD1-CD2 4.5Å |
| 990 | G | 72.6 | Confident | 76.7 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | 53.4 | -125.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y986 L992 F993 | Y986-G990 WeakPolarHBondContact CE2-O 3.45Å; Y986-G990 WeakPolarHBondContact O-CA 3.45Å; Y986-G990 PolarHBondContact O-N 3.05Å; G990-L992 VanDerWaalsContact C-N 3.3Å; G990-L992 PolarHBondContact O-N 2.89Å; G990-F993 WeakPolarHBondContact O-CB 3.39Å; G990-F993 PolarHBondContact O-N 2.93Å |
| 991 | S | 71.1 | Confident | 76.3 | Confident | 97 Ų | 97 | 49.2 Ų | 49.2 | 68% | 0.678 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -66.8 | -27.4 | -179.7 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | L989 F993 W994 | L989-S991 PolarHBondContact O-N 2.73Å; S991-F993 PolarHBondContact O-N 2.92Å; S991-W994 PolarHBondContact O-N 3.33Å |
| 992 | L | 67.7 | Low | 76 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -65.4 | -23.1 | 178 | -67 | 174.3 | 0 | 0 | 0 | 112.1 | L989 G990 W994 Q995 H996 | L989-L992 HydrophobicContact CB-CB 4.44Å; L989-L992 WeakPolarHBondContact O-CB 3.47Å; L989-L992 PolarHBondContact O-N 3.16Å; L989-L992 VanDerWaalsContact O-N 3.09Å; G990-L992 VanDerWaalsContact C-N 3.3Å; G990-L992 PolarHBondContact O-N 2.89Å; L992-W994 VanDerWaalsContact C-N 3.25Å; L992-W994 PolarHBondContact O-N 2.69Å; L992-Q995 WeakPolarHBondContact O-CB 3.43Å; L992-Q995 PolarHBondContact O-N 3.25Å; L992-H996 PolarHBondContact O-N 3.38Å; L992-H996 PolarHBondContact O-ND1 2.57Å |
| 993 | F | 80 | Confident | 75.7 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -49.2 | -48.2 | 177 | 172.2 | -102 | 0 | 0 | 0 | 111.9 | L982 A985 Y986 L989 G990 S991 Q995 H996 I997 I1008 | L982-F993 HydrophobicContact CB-CE2 4.19Å; L982-F993 HydrophobicContact CB-CZ 4.01Å; L982-F993 HydrophobicContact CD2-CE2 3.98Å; L982-F993 HydrophobicContact CD2-CZ 4.07Å; L982-F993 WeakPolarHBondContact O-CE2 3.25Å; A985-F993 HydrophobicContact CB-CD2 4.34Å; A985-F993 HydrophobicContact CB-CE2 4.26Å; Y986-F993 HydrophobicContact CD2-CB 3.65Å; Y986-F993 AromaticContact CD2-CD1 3.45Å; Y986-F993 HydrophobicContact CD2-CD1 3.45Å; Y986-F993 VanDerWaalsContact CD2-CD1 3.45Å; Y986-F993 HydrophobicContact CD2-CD2 4.42Å; Y986-F993 HydrophobicContact CD2-CE1 4.12Å; Y986-F993 AromaticContact CD2-CG 3.61Å; Y986-F993 HydrophobicContact CD2-CG 3.61Å; Y986-F993 HydrophobicContact CE2-CB 4.38Å; Y986-F993 HydrophobicContact CE2-CD1 4.27Å; Y986-F993 HydrophobicContact CG-CD1 4.31Å; Y986-F993 HydrophobicContact CG-CG 4.3Å; L989-F993 HydrophobicContact CB-CB 3.92Å; L989-F993 HydrophobicContact CD1-CD2 4.5Å; G990-F993 WeakPolarHBondContact O-CB 3.39Å; G990-F993 PolarHBondContact O-N 2.93Å; S991-F993 PolarHBondContact O-N 2.92Å; F993-Q995 PolarHBondContact O-N 3Å; F993-H996 PolarHBondContact O-N 3.21Å; F993-I997 HydrophobicContact CD1-CD1 3.77Å; F993-I997 HydrophobicContact CD1-CG1 4.5Å; F993-I997 HydrophobicContact CD2-CG2 4.24Å; F993-I997 HydrophobicContact CE1-CD1 3.31Å; F993-I997 HydrophobicContact CE1-CG1 4.34Å; F993-I997 HydrophobicContact CE1-CG2 4.29Å; F993-I997 HydrophobicContact CE2-CG2 3.74Å; F993-I997 HydrophobicContact CZ-CD1 3.8Å; F993-I997 HydrophobicContact CZ-CG2 3.78Å; F993-I997 WeakPolarHBondContact O-CG1 3.5Å; F993-I997 PolarHBondContact O-N 2.97Å; F993-I997 VanDerWaalsContact O-N 3.12Å; F993-I1008 HydrophobicContact CE1-CG2 4.23Å; F993-I1008 HydrophobicContact CZ-CD1 4.46Å |
| 994 | W | 82.1 | Confident | 75.7 | Confident | 72 Ų | 72 | 61.1 Ų | 61.1 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.3 | -26.3 | -176.4 | -65.3 | 113.2 | 0 | 0 | 0 | 113.3 | Y986 S991 L992 I997 K1005 I1008 E1009 | Y986-W994 AromaticContact CE2-NE1 3.61Å; S991-W994 PolarHBondContact O-N 3.33Å; L992-W994 VanDerWaalsContact C-N 3.25Å; L992-W994 PolarHBondContact O-N 2.69Å; W994-I997 HydrophobicContact CD2-CD1 4.22Å; W994-I997 HydrophobicContact CE3-CD1 3.26Å; W994-I997 HydrophobicContact CE3-CG1 4.29Å; W994-I997 HydrophobicContact CZ3-CD1 3.49Å; W994-I997 VanDerWaalsContact CZ3-CD1 3.49Å; W994-K1005 HydrophobicContact CH2-CG 3.89Å; W994-K1005 HydrophobicContact CZ3-CD 4.37Å; W994-K1005 HydrophobicContact CZ3-CG 3.7Å; W994-I1008 HydrophobicContact CH2-CB 4.15Å; W994-I1008 HydrophobicContact CH2-CG2 3.83Å; W994-I1008 HydrophobicContact CZ2-CG2 4.37Å; W994-I1008 HydrophobicContact CZ3-CD1 4.46Å; W994-E1009 HydrophobicContact CH2-CG 4.14Å; W994-E1009 HydrophobicContact CZ2-CG 4.1Å |
| 995 | Q | 76.9 | Confident | 76.1 | Confident | 147 Ų | 147 | 63.2 Ų | 63.2 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -74 | -38.6 | 175.1 | -61 | -179.4 | 0.1 | 0 | 0 | 111.2 | L992 F993 | L992-Q995 WeakPolarHBondContact O-CB 3.43Å; L992-Q995 PolarHBondContact O-N 3.25Å; F993-Q995 PolarHBondContact O-N 3Å |
| 996 | H | 71.3 | Confident | 76.3 | Confident | 34 Ų | 34 | 67.8 Ų | 67.8 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -78.4 | -36.9 | -174.1 | -69.6 | 76.8 | 0 | 0 | 0 | 113.4 | L960 L992 F993 G998 | L960-H996 HydrophobicContact CB-CB 4.49Å; L960-H996 HydrophobicContact CD1-CB 3.79Å; L992-H996 PolarHBondContact O-N 3.38Å; L992-H996 PolarHBondContact O-ND1 2.57Å; F993-H996 PolarHBondContact O-N 3.21Å; H996-G998 PolarHBondContact O-N 3.16Å |
| 997 | I | 79.5 | Confident | 76.5 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72 | -21.4 | 174.8 | 59.3 | 176.8 | 0 | 0 | 0 | 112.5 | L960 K961 A964 L982 F993 W994 L1000 | L960-I997 HydrophobicContact CB-CG2 4.06Å; K961-I997 WeakPolarHBondContact CG-O 3.46Å; A964-I997 HydrophobicContact CB-CB 4.26Å; A964-I997 HydrophobicContact CB-CG2 4.27Å; L982-I997 HydrophobicContact CD2-CG2 4.07Å; F993-I997 HydrophobicContact CD1-CD1 3.77Å; F993-I997 HydrophobicContact CD1-CG1 4.5Å; F993-I997 HydrophobicContact CD2-CG2 4.24Å; F993-I997 HydrophobicContact CE1-CD1 3.31Å; F993-I997 HydrophobicContact CE1-CG1 4.34Å; F993-I997 HydrophobicContact CE1-CG2 4.29Å; F993-I997 HydrophobicContact CE2-CG2 3.74Å; F993-I997 HydrophobicContact CZ-CD1 3.8Å; F993-I997 HydrophobicContact CZ-CG2 3.78Å; F993-I997 WeakPolarHBondContact O-CG1 3.5Å; F993-I997 PolarHBondContact O-N 2.97Å; F993-I997 VanDerWaalsContact O-N 3.12Å; W994-I997 HydrophobicContact CD2-CD1 4.22Å; W994-I997 HydrophobicContact CE3-CD1 3.26Å; W994-I997 HydrophobicContact CE3-CG1 4.29Å; W994-I997 HydrophobicContact CZ3-CD1 3.49Å; W994-I997 VanDerWaalsContact CZ3-CD1 3.49Å; I997-L1000 HydrophobicContact CB-CD1 3.82Å; I997-L1000 HydrophobicContact CD1-CD1 3.6Å; I997-L1000 HydrophobicContact CG1-CD1 3.78Å |
| 998 | G | 76.7 | Confident | 77.2 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | trans | 67.5 | -154.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | H996 L1000 | H996-G998 PolarHBondContact O-N 3.16Å; G998-L1000 PolarHBondContact O-N 2.69Å | ||
| 999 | N | 77.2 | Confident | 78 | Confident | 165 Ų | 165 | 62.2 Ų | 62.2 | 88% | 0.882 | 33% | 0.333 | S | S | * | . | trans | -80 | 111.3 | -172.8 | -153.3 | 21.1 | 0 | 0 | 0 | 111.5 | ||||
| 1000 | L | 81 | Confident | 78.7 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 13% | 0.131 | 36% | 0.358 | C | S | . | . | trans | -96.4 | 155.9 | 172.7 | -89.4 | 89.8 | 0 | 0 | 0 | 112.2 | A964 L967 I997 G998 D1004 I1008 | A964-L1000 HydrophobicContact CB-CD1 4.01Å; A964-L1000 HydrophobicContact CB-CD2 4.23Å; A964-L1000 HydrophobicContact CB-CG 4.39Å; L967-L1000 HydrophobicContact CD1-CD2 3.89Å; I997-L1000 HydrophobicContact CB-CD1 3.82Å; I997-L1000 HydrophobicContact CD1-CD1 3.6Å; I997-L1000 HydrophobicContact CG1-CD1 3.78Å; G998-L1000 PolarHBondContact O-N 2.69Å; L1000-D1004 HydrophobicContact CD2-CB 3.7Å; L1000-I1008 HydrophobicContact CD2-CD1 3.91Å | ||
| 1001 | P | 78.2 | Confident | 78.7 | Confident | 78 Ų | 78 | 71 Ų | 71 | 51% | 0.506 | 36% | 0.362 | S | S | . | . | trans | -54.7 | 140.1 | 162.9 | -21.7 | 34.3 | 0 | 0 | 0 | 111.3 | N1003 D1004 K1005 | P1001-N1003 PolarHBondContact O-N 3.27Å; P1001-N1003 VanDerWaalsContact O-N 3.12Å; P1001-D1004 WeakPolarHBondContact CD-OD2 3.46Å; P1001-D1004 VanDerWaalsContact CG-OD2 3.27Å; P1001-D1004 WeakPolarHBondContact CG-OD2 3.47Å; P1001-D1004 PolarHBondContact O-N 3.29Å; P1001-K1005 PolarHBondContact O-N 3.09Å | ||
| 1002 | E | 78.3 | Confident | 78.8 | Confident | 109 Ų | 109 | 67.4 Ų | 67.4 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -54.9 | -35.4 | -176.2 | -172.8 | 64 | -166.1 | 0 | 0 | 113.2 | K1006 | E1002-K1006 HydrophobicContact CG-CD 4.42Å; E1002-K1006 WeakPolarHBondContact O-CB 3.31Å; E1002-K1006 VanDerWaalsContact O-CG 3.3Å; E1002-K1006 WeakPolarHBondContact O-CG 3.48Å; E1002-K1006 PolarHBondContact O-N 2.9Å; E1002-K1006 WeakPolarHBondContact OE1-CE 3.39Å |
| 1003 | N | 80.7 | Confident | 78.4 | Confident | 127 Ų | 127 | 68.6 Ų | 68.6 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.3 | -41.6 | 177.4 | -68.1 | -17.4 | 0 | 0 | 0 | 112.3 | P1001 K1006 L1007 | P1001-N1003 PolarHBondContact O-N 3.27Å; P1001-N1003 VanDerWaalsContact O-N 3.12Å; N1003-K1006 PolarHBondContact O-N 3.48Å; N1003-L1007 WeakPolarHBondContact O-CB 3.37Å; N1003-L1007 PolarHBondContact O-N 3.26Å |
| 1004 | D | 84.2 | Confident | 77.1 | Confident | 30 Ų | 30 | 71.4 Ų | 71.4 | 16% | 0.16 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -72.7 | -37.3 | -179.3 | -58.7 | -22.4 | 0 | 0 | 0 | 110.5 | L967 L1000 P1001 L1007 I1008 | L967-D1004 HydrophobicContact CB-CB 4.38Å; L967-D1004 HydrophobicContact CD1-CB 4.08Å; L1000-D1004 HydrophobicContact CD2-CB 3.7Å; P1001-D1004 WeakPolarHBondContact CD-OD2 3.46Å; P1001-D1004 VanDerWaalsContact CG-OD2 3.27Å; P1001-D1004 WeakPolarHBondContact CG-OD2 3.47Å; P1001-D1004 PolarHBondContact O-N 3.29Å; D1004-L1007 WeakPolarHBondContact O-CB 3.47Å; D1004-L1007 PolarHBondContact O-N 3.24Å; D1004-I1008 WeakPolarHBondContact O-CG1 3.44Å; D1004-I1008 PolarHBondContact O-N 3.45Å |
| 1005 | K | 83.9 | Confident | 75.1 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 32% | 0.317 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 171.9 | -173 | -179.6 | -178.6 | -155 | 0 | 111.2 | W994 P1001 L1007 I1008 E1009 | W994-K1005 HydrophobicContact CH2-CG 3.89Å; W994-K1005 HydrophobicContact CZ3-CD 4.37Å; W994-K1005 HydrophobicContact CZ3-CG 3.7Å; P1001-K1005 PolarHBondContact O-N 3.09Å; K1005-L1007 VanDerWaalsContact C-N 3.29Å; K1005-L1007 PolarHBondContact O-N 3.49Å; K1005-I1008 PolarHBondContact O-N 2.87Å; K1005-E1009 WeakPolarHBondContact CE-OE1 3.36Å; K1005-E1009 IonicContact NZ-OE1 3.68Å; K1005-E1009 WeakPolarHBondContact O-CG 3.48Å; K1005-E1009 PolarHBondContact O-N 2.94Å |
| 1006 | K | 82.1 | Confident | 73.1 | Confident | 98 Ų | 98 | 71 Ų | 71 | 43% | 0.426 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.3 | -37 | 174.7 | -76.7 | 175.7 | -179.5 | 178 | 0 | 112.4 | E1002 N1003 E1009 Q1010 | E1002-K1006 HydrophobicContact CG-CD 4.42Å; E1002-K1006 WeakPolarHBondContact O-CB 3.31Å; E1002-K1006 VanDerWaalsContact O-CG 3.3Å; E1002-K1006 WeakPolarHBondContact O-CG 3.48Å; E1002-K1006 PolarHBondContact O-N 2.9Å; E1002-K1006 WeakPolarHBondContact OE1-CE 3.39Å; N1003-K1006 PolarHBondContact O-N 3.48Å; K1006-E1009 PolarHBondContact O-N 3.43Å; K1006-Q1010 VanDerWaalsContact O-CB 3.25Å; K1006-Q1010 WeakPolarHBondContact O-CB 3.38Å; K1006-Q1010 WeakPolarHBondContact O-CG 3.49Å; K1006-Q1010 PolarHBondContact O-N 3.26Å |
| 1007 | L | 81.5 | Confident | 70.9 | Confident | 58 Ų | 58 | 73.4 Ų | 73.4 | 30% | 0.304 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 175.9 | -168 | 93.7 | 0 | 0 | 0 | 111 | L967 L979 N1003 D1004 K1005 Q1010 Y1011 | L967-L1007 HydrophobicContact CD2-CD2 4.14Å; L979-L1007 HydrophobicContact CD1-CD2 4.16Å; L979-L1007 HydrophobicContact CD2-CD2 3.8Å; L979-L1007 HydrophobicContact CD2-CG 4.19Å; N1003-L1007 WeakPolarHBondContact O-CB 3.37Å; N1003-L1007 PolarHBondContact O-N 3.26Å; D1004-L1007 WeakPolarHBondContact O-CB 3.47Å; D1004-L1007 PolarHBondContact O-N 3.24Å; K1005-L1007 VanDerWaalsContact C-N 3.29Å; K1005-L1007 PolarHBondContact O-N 3.49Å; L1007-Q1010 PolarHBondContact O-N 3.47Å; L1007-Y1011 WeakPolarHBondContact O-CD2 3.28Å; L1007-Y1011 PolarHBondContact O-N 2.85Å |
| 1008 | I | 84 | Confident | 68.4 | Low | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.1 | -50.7 | 174.4 | -63.3 | 166.2 | 0 | 0 | 0 | 109.8 | L967 L979 L982 F993 W994 L1000 D1004 K1005 Q1010 Y1011 L1012 | L967-I1008 HydrophobicContact CD1-CD1 3.81Å; L967-I1008 HydrophobicContact CD1-CG1 3.96Å; L979-I1008 HydrophobicContact CD1-CB 4.41Å; L979-I1008 HydrophobicContact CD1-CG1 3.83Å; L982-I1008 HydrophobicContact CD1-CD1 4.25Å; F993-I1008 HydrophobicContact CE1-CG2 4.23Å; F993-I1008 HydrophobicContact CZ-CD1 4.46Å; W994-I1008 HydrophobicContact CH2-CB 4.15Å; W994-I1008 HydrophobicContact CH2-CG2 3.83Å; W994-I1008 HydrophobicContact CZ2-CG2 4.37Å; W994-I1008 HydrophobicContact CZ3-CD1 4.46Å; L1000-I1008 HydrophobicContact CD2-CD1 3.91Å; D1004-I1008 WeakPolarHBondContact O-CG1 3.44Å; D1004-I1008 PolarHBondContact O-N 3.45Å; K1005-I1008 PolarHBondContact O-N 2.87Å; I1008-Q1010 VanDerWaalsContact C-N 3.34Å; I1008-Q1010 PolarHBondContact O-N 3.36Å; I1008-Y1011 PolarHBondContact O-N 3.45Å; I1008-Y1011 VanDerWaalsContact O-N 3.14Å; I1008-L1012 HydrophobicContact CG2-CD1 3.71Å; I1008-L1012 HydrophobicContact CG2-CG 4.18Å; I1008-L1012 WeakPolarHBondContact O-CB 3.37Å; I1008-L1012 VanDerWaalsContact O-CG 3.24Å; I1008-L1012 WeakPolarHBondContact O-CG 3.45Å; I1008-L1012 PolarHBondContact O-N 2.85Å |
| 1009 | E | 83.7 | Confident | 66.2 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 33% | 0.327 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 179.4 | -72.1 | 173.3 | 173.3 | 0 | 0 | 112.4 | W994 K1005 K1006 L1012 S1013 | W994-E1009 HydrophobicContact CH2-CG 4.14Å; W994-E1009 HydrophobicContact CZ2-CG 4.1Å; K1005-E1009 WeakPolarHBondContact CE-OE1 3.36Å; K1005-E1009 IonicContact NZ-OE1 3.68Å; K1005-E1009 WeakPolarHBondContact O-CG 3.48Å; K1005-E1009 PolarHBondContact O-N 2.94Å; K1006-E1009 PolarHBondContact O-N 3.43Å; E1009-L1012 PolarHBondContact O-N 3.43Å; E1009-S1013 VanDerWaalsContact O-CB 3.27Å; E1009-S1013 WeakPolarHBondContact O-CB 3.28Å; E1009-S1013 PolarHBondContact O-N 2.81Å; E1009-S1013 PolarHBondContact O-OG 3.15Å |
| 1010 | Q | 79.3 | Confident | 63.7 | Low | 124 Ų | 124 | 79.7 Ų | 79.7 | 58% | 0.579 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.3 | -39.1 | 174.8 | -77.8 | 176 | -7.4 | 0 | 0 | 111.9 | K1006 L1007 I1008 S1013 S1014 | K1006-Q1010 VanDerWaalsContact O-CB 3.25Å; K1006-Q1010 WeakPolarHBondContact O-CB 3.38Å; K1006-Q1010 WeakPolarHBondContact O-CG 3.49Å; K1006-Q1010 PolarHBondContact O-N 3.26Å; L1007-Q1010 PolarHBondContact O-N 3.47Å; I1008-Q1010 VanDerWaalsContact C-N 3.34Å; I1008-Q1010 PolarHBondContact O-N 3.36Å; Q1010-S1013 PolarHBondContact O-N 3.37Å; Q1010-S1014 VanDerWaalsContact O-CB 3.25Å; Q1010-S1014 WeakPolarHBondContact O-CB 3.41Å; Q1010-S1014 PolarHBondContact O-N 3.45Å; Q1010-S1014 PolarHBondContact O-OG 2.83Å |
| 1011 | Y | 72.8 | Confident | 60.9 | Low | 101 Ų | 101 | 85.7 Ų | 85.7 | 40% | 0.396 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.8 | -37.2 | 175.2 | -96.4 | -104.7 | 0 | 0 | 0 | 112.3 | L979 L1007 I1008 S1013 S1014 S1015 | L979-Y1011 HydrophobicContact CD1-CG 4.46Å; L979-Y1011 HydrophobicContact CD2-CD1 3.64Å; L979-Y1011 HydrophobicContact CD2-CD2 3.35Å; L979-Y1011 HydrophobicContact CD2-CE1 3.72Å; L979-Y1011 HydrophobicContact CD2-CE2 3.42Å; L979-Y1011 VanDerWaalsContact CD2-CE2 3.42Å; L979-Y1011 HydrophobicContact CD2-CG 3.42Å; L979-Y1011 VanDerWaalsContact CD2-CG 3.42Å; L979-Y1011 HydrophobicContact CG-CD1 4.17Å; L979-Y1011 HydrophobicContact CG-CD2 4.37Å; L979-Y1011 HydrophobicContact CG-CG 4.03Å; L1007-Y1011 WeakPolarHBondContact O-CD2 3.28Å; L1007-Y1011 PolarHBondContact O-N 2.85Å; I1008-Y1011 PolarHBondContact O-N 3.45Å; I1008-Y1011 VanDerWaalsContact O-N 3.14Å; Y1011-S1013 VanDerWaalsContact C-N 3.31Å; Y1011-S1014 VanDerWaalsContact CA-OG 3.3Å; Y1011-S1014 WeakPolarHBondContact CA-OG 3.24Å; Y1011-S1014 PolarHBondContact O-OG 3.17Å; Y1011-S1015 WeakPolarHBondContact O-CB 3.49Å; Y1011-S1015 PolarHBondContact O-N 3.36Å; Y1011-S1015 PolarHBondContact O-OG 3.38Å |
| 1012 | L | 73.3 | Confident | 58.3 | Low | 22 Ų | 22 | 87 Ų | 87 | 12% | 0.115 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -67.6 | -33 | 173.2 | -66.9 | 173.7 | 0 | 0 | 0 | 111.8 | C983 Y986 I1008 E1009 S1015 N1016 | C983-L1012 HydrophobicContact CB-CD2 4.46Å; Y986-L1012 HydrophobicContact CD1-CD1 3.59Å; Y986-L1012 HydrophobicContact CD1-CD2 3.33Å; Y986-L1012 HydrophobicContact CD1-CG 4.08Å; Y986-L1012 HydrophobicContact CD2-CD1 4.01Å; Y986-L1012 HydrophobicContact CE1-CD1 3.64Å; Y986-L1012 HydrophobicContact CE1-CD2 3.89Å; Y986-L1012 HydrophobicContact CE1-CG 4.31Å; Y986-L1012 HydrophobicContact CE2-CD1 4.08Å; Y986-L1012 HydrophobicContact CG-CD1 3.77Å; Y986-L1012 HydrophobicContact CG-CD2 3.94Å; I1008-L1012 HydrophobicContact CG2-CD1 3.71Å; I1008-L1012 HydrophobicContact CG2-CG 4.18Å; I1008-L1012 WeakPolarHBondContact O-CB 3.37Å; I1008-L1012 VanDerWaalsContact O-CG 3.24Å; I1008-L1012 WeakPolarHBondContact O-CG 3.45Å; I1008-L1012 PolarHBondContact O-N 2.85Å; E1009-L1012 PolarHBondContact O-N 3.43Å; L1012-S1015 WeakPolarHBondContact CA-OG 3.42Å; L1012-S1015 PolarHBondContact O-OG 2.94Å; L1012-N1016 PolarHBondContact O-N 3.24Å |
| 1013 | S | 59.5 | Low | 55.8 | Low | 73 Ų | 73 | 85.9 Ų | 85.9 | 51% | 0.51 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -80.8 | -36.1 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 112.6 | E1009 Q1010 Y1011 N1016 T1017 | E1009-S1013 VanDerWaalsContact O-CB 3.27Å; E1009-S1013 WeakPolarHBondContact O-CB 3.28Å; E1009-S1013 PolarHBondContact O-N 2.81Å; E1009-S1013 PolarHBondContact O-OG 3.15Å; Q1010-S1013 PolarHBondContact O-N 3.37Å; Y1011-S1013 VanDerWaalsContact C-N 3.31Å; S1013-N1016 CarbonylContact O-C 3.6Å; S1013-N1016 WeakPolarHBondContact O-CA 3.26Å; S1013-N1016 WeakPolarHBondContact O-CB 3.22Å; S1013-N1016 PolarHBondContact O-N 3.44Å; S1013-N1016 VanDerWaalsContact O-N 3.17Å; S1013-T1017 PolarHBondContact O-N 3.08Å; S1013-T1017 VanDerWaalsContact O-N 3.16Å; S1013-T1017 PolarHBondContact O-OG1 3.36Å; S1013-T1017 VanDerWaalsContact O-OG1 3.1Å |
| 1014 | S | 53.1 | Low | 53 | Low | 60 Ų | 60 | 84.6 Ų | 84.6 | 42% | 0.42 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.8 | -35 | 176.1 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | Q1010 Y1011 N1016 T1017 | Q1010-S1014 VanDerWaalsContact O-CB 3.25Å; Q1010-S1014 WeakPolarHBondContact O-CB 3.41Å; Q1010-S1014 PolarHBondContact O-N 3.45Å; Q1010-S1014 PolarHBondContact O-OG 2.83Å; Y1011-S1014 VanDerWaalsContact CA-OG 3.3Å; Y1011-S1014 WeakPolarHBondContact CA-OG 3.24Å; Y1011-S1014 PolarHBondContact O-OG 3.17Å; S1014-N1016 PolarHBondContact O-N 2.86Å; S1014-T1017 VanDerWaalsContact CA-OG1 3.27Å; S1014-T1017 WeakPolarHBondContact CA-OG1 3.49Å; S1014-T1017 CarbonylContact O-C 3.51Å; S1014-T1017 PolarHBondContact O-N 2.96Å; S1014-T1017 PolarHBondContact O-OG1 3.31Å |
| 1015 | S | 40.8 | Very low | 50.2 | Low | 73 Ų | 73 | 90.3 Ų | 90.3 | 51% | 0.51 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -14.5 | 167.5 | 53 | 0 | 0 | 0 | 0 | 113.6 | Y1011 L1012 | Y1011-S1015 WeakPolarHBondContact O-CB 3.49Å; Y1011-S1015 PolarHBondContact O-N 3.36Å; Y1011-S1015 PolarHBondContact O-OG 3.38Å; L1012-S1015 WeakPolarHBondContact CA-OG 3.42Å; L1012-S1015 PolarHBondContact O-OG 2.94Å |
| 1016 | N | 34.8 | Very low | 47.4 | Very low | 136 Ų | 136 | 93.6 Ų | 93.6 | 73% | 0.727 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -3.1 | 166.1 | -83.4 | -13 | 0 | 0 | 0 | 113.8 | L1012 S1013 S1014 | L1012-N1016 PolarHBondContact O-N 3.24Å; S1013-N1016 CarbonylContact O-C 3.6Å; S1013-N1016 WeakPolarHBondContact O-CA 3.26Å; S1013-N1016 WeakPolarHBondContact O-CB 3.22Å; S1013-N1016 PolarHBondContact O-N 3.44Å; S1013-N1016 VanDerWaalsContact O-N 3.17Å; S1014-N1016 PolarHBondContact O-N 2.86Å |
| 1017 | T | 25.3 | Very low | 44.8 | Very low | 85 Ų | 85 | 96 Ų | 96 | 52% | 0.521 | 54% | 0.535 | S | S | . | . | trans | -116.7 | 64 | 174.4 | 38.7 | 0 | 0 | 0 | 0 | 111 | S1013 S1014 P1019 | S1013-T1017 PolarHBondContact O-N 3.08Å; S1013-T1017 VanDerWaalsContact O-N 3.16Å; S1013-T1017 PolarHBondContact O-OG1 3.36Å; S1013-T1017 VanDerWaalsContact O-OG1 3.1Å; S1014-T1017 VanDerWaalsContact CA-OG1 3.27Å; S1014-T1017 WeakPolarHBondContact CA-OG1 3.49Å; S1014-T1017 CarbonylContact O-C 3.51Å; S1014-T1017 PolarHBondContact O-N 2.96Å; S1014-T1017 PolarHBondContact O-OG1 3.31Å; T1017-P1019 VanDerWaalsContact C-CD 3.41Å; T1017-P1019 HydrophobicContact CG2-CG 4.17Å | ||
| 1018 | D | 25.2 | Very low | 42.3 | Very low | 136 Ų | 136 | 101.3 Ų | 101.3 | 73% | 0.727 | 56% | 0.563 | S | S | * | * | -109.3 | 83.9 | 129.9 | -92.2 | -33 | 0 | 0 | 0 | 107.9 | T1020 | D1018-T1020 PolarHBondContact O-N 3.35Š| |||
| 1019 | P | 31.2 | Very low | 39.6 | Very low | 83 Ų | 83 | 110 Ų | 110 | 54% | 0.539 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | 13.2 | 172.7 | 3.8 | 18.6 | 0 | 0 | 0 | 112 | T1017 T1022 | T1017-P1019 VanDerWaalsContact C-CD 3.41Å; T1017-P1019 HydrophobicContact CG2-CG 4.17Å; P1019-T1022 PolarHBondContact O-N 3.21Å; P1019-T1022 PolarHBondContact O-OG1 3.06Å |
| 1020 | T | 24.4 | Very low | 36.6 | Very low | 112 Ų | 112 | 114 Ų | 114 | 69% | 0.687 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 10.5 | 178.3 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | D1018 T1022 | D1018-T1020 PolarHBondContact O-N 3.35Å; T1020-T1022 VanDerWaalsContact C-N 3.26Å |
| 1021 | L | 23.4 | Very low | 33.9 | Very low | 152 Ų | 152 | 113 Ų | 113 | 80% | 0.796 | 63% | 0.634 | S | S | * | * | trans | -100.5 | 47.2 | 150.1 | -62.5 | 175.7 | 0 | 0 | 0 | 109.3 | V1023 | L1021-V1023 PolarHBondContact O-N 3.32Š| ||
| 1022 | T | 22.1 | Very low | 31.6 | Very low | 106 Ų | 106 | 116.2 Ų | 116.2 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | trans | -63 | 92 | 149.3 | 23.9 | 0 | 0 | 0 | 0 | 105.6 | P1019 T1020 S1024 | P1019-T1022 PolarHBondContact O-N 3.21Å; P1019-T1022 PolarHBondContact O-OG1 3.06Å; T1020-T1022 VanDerWaalsContact C-N 3.26Å; T1022-S1024 PolarHBondContact O-N 3.04Å; T1022-S1024 PolarHBondContact O-OG 3.23Å; T1022-S1024 VanDerWaalsContact O-OG 3.1Å | ||
| 1023 | V | 26.3 | Very low | 29.2 | Very low | 85 Ų | 85 | 124.9 Ų | 124.9 | 52% | 0.515 | 69% | 0.691 | S | S | . | * | trans | -39.1 | 86.7 | 160.8 | 171.5 | 0 | 0 | 0 | 0 | 106.8 | L1021 N1025 F1027 | L1021-V1023 PolarHBondContact O-N 3.32Å; V1023-N1025 PolarHBondContact O-N 2.94Å; V1023-F1027 HydrophobicContact CG1-CD2 3.92Å; V1023-F1027 HydrophobicContact CG1-CE2 3.73Å | ||
| 1024 | S | 21.8 | Very low | 27.7 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | trans | -74.8 | 113.2 | 174.7 | 0.8 | 0 | 0 | 0 | 0 | 102.7 | T1022 N1026 | T1022-S1024 PolarHBondContact O-N 3.04Å; T1022-S1024 PolarHBondContact O-OG 3.23Å; T1022-S1024 VanDerWaalsContact O-OG 3.1Å; S1024-N1026 PolarHBondContact O-N 2.99Å | ||
| 1025 | N | 26.5 | Very low | 26.3 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -43.1 | 40.6 | -174.8 | -76.3 | -23.6 | 0 | 0 | 0 | 118.7 | V1023 | V1023-N1025 PolarHBondContact O-N 2.94Š|
| 1026 | N | 23.9 | Very low | 25.6 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | -122 | 51.4 | 175.5 | -67.9 | -9 | 0 | 0 | 0 | 109.8 | S1024 D1028 | S1024-N1026 PolarHBondContact O-N 2.99Å; N1026-D1028 PolarHBondContact O-N 3.39Å | ||
| 1027 | F | 27.7 | Very low | 25.2 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 66% | 0.658 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -75.1 | 5.6 | 172 | -101.8 | -88.8 | 0 | 0 | 0 | 113.6 | V1023 E1029 | V1023-F1027 HydrophobicContact CG1-CD2 3.92Å; V1023-F1027 HydrophobicContact CG1-CE2 3.73Å; F1027-E1029 VanDerWaalsContact C-N 3.34Å; F1027-E1029 PolarHBondContact O-N 3.27Å |
| 1028 | D | 29 | Very low | 25.1 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -84.3 | 1 | 178.4 | -77.9 | -20.5 | 0 | 0 | 0 | 114.4 | N1026 | N1026-D1028 PolarHBondContact O-N 3.39Š|
| 1029 | E | 26.8 | Very low | 24.9 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -133 | 33.4 | -178 | -128.3 | 178.5 | -167.4 | 0 | 0 | 115.9 | F1027 | F1027-E1029 VanDerWaalsContact C-N 3.34Å; F1027-E1029 PolarHBondContact O-N 3.27Å |
| 1030 | L | 22 | Very low | 24.6 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -112.3 | 37.9 | 164.1 | -80.8 | 165.3 | 0 | 0 | 0 | 112.5 | M1032 | L1030-M1032 PolarHBondContact O-N 3.23Š| ||
| 1031 | S | 22.8 | Very low | 24.6 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -65.7 | 110 | 155.4 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1032 | M | 23.6 | Very low | 24.5 | Very low | 167 Ų | 167 | 151.5 Ų | 151.5 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | trans | 54.3 | 74.1 | 144.1 | -66.2 | -83 | 157.8 | 0 | 0 | 116.7 | L1030 | L1030-M1032 PolarHBondContact O-N 3.23Š| ||
| 1033 | K | 24 | Very low | 24.6 | Very low | 204 Ų | 204 | 154 Ų | 154 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -135.1 | 111 | 143.8 | -73.2 | -167.8 | 178.1 | 175.4 | 0 | 110.1 | ||||
| 1034 | T | 27.5 | Very low | 24.5 | Very low | 125 Ų | 125 | 155.8 Ų | 155.8 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | trans | -55.7 | 130.6 | -178.8 | 41 | 0 | 0 | 0 | 0 | 111.4 | F1036 | T1034-F1036 VanDerWaalsContact C-N 3.34Å; T1034-F1036 PolarHBondContact O-N 3.19Å | ||
| 1035 | P | 24.2 | Very low | 24.6 | Very low | 128 Ų | 128 | 156.5 Ų | 156.5 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -80.1 | 79.4 | -177 | 31.7 | -32.7 | 0 | 0 | 0 | 110.4 | ||
| 1036 | F | 26 | Very low | 24.4 | Very low | 204 Ų | 204 | 155.4 Ų | 155.4 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -124.2 | 2.4 | 166.2 | -117.1 | -82.8 | 0 | 0 | 0 | 114.7 | T1034 | T1034-F1036 VanDerWaalsContact C-N 3.34Å; T1034-F1036 PolarHBondContact O-N 3.19Å | ||
| 1037 | E | 26.2 | Very low | 24.4 | Very low | 191 Ų | 191 | 156.5 Ų | 156.5 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -108.9 | 31.6 | -177.7 | -110.1 | -172.6 | 174.3 | 0 | 0 | 115.1 | ||||
| 1038 | F | 23 | Very low | 24.1 | Very low | 197 Ų | 197 | 155.4 Ų | 155.4 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -108.5 | 34.1 | 174.9 | -132.3 | -88.6 | 0 | 0 | 0 | 115.2 | ||||
| 1039 | C | 21.5 | Very low | 23.9 | Very low | 117 Ų | 117 | 151.8 Ų | 151.8 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -142.5 | 69.7 | 166.2 | -82.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1040 | I | 23.2 | Very low | 24 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 82% | 0.821 | 81% | 0.81 | S | S | * | * | trans | -175.3 | 89.3 | 146.2 | -78.8 | 135.3 | 0 | 0 | 0 | 105.6 | ||||
| 1041 | T | 24.4 | Very low | 24.1 | Very low | 127 Ų | 127 | 152.6 Ų | 152.6 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -129.2 | 118 | 153.6 | 43.2 | 0 | 0 | 0 | 0 | 107.9 | D1043 | T1041-D1043 PolarHBondContact O-N 2.81Š| ||
| 1042 | R | 22.7 | Very low | 24 | Very low | 220 Ų | 220 | 154.4 Ų | 154.4 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -96.3 | 80.8 | -160.6 | -168.2 | -175.1 | -172 | 160.9 | -0.7 | 107.2 | T1044 | R1042-T1044 PolarHBondContact O-N 3.42Å; R1042-T1044 VanDerWaalsContact O-N 3.12Å | ||
| 1043 | D | 22.9 | Very low | 24.1 | Very low | 159 Ų | 159 | 150 Ų | 150 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -82.7 | 94.1 | 173 | -84.2 | -23.4 | 0 | 0 | 0 | 110.6 | T1041 S1045 | T1041-D1043 PolarHBondContact O-N 2.81Å; D1043-S1045 PolarHBondContact O-N 3.08Å | ||
| 1044 | T | 24.4 | Very low | 23.9 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -58.5 | 105.1 | 163.6 | 36.8 | 0 | 0 | 0 | 0 | 111.3 | R1042 | R1042-T1044 PolarHBondContact O-N 3.42Å; R1042-T1044 VanDerWaalsContact O-N 3.12Å | ||
| 1045 | S | 25.3 | Very low | 23.8 | Very low | 113 Ų | 113 | 154.2 Ų | 154.2 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | trans | -145.7 | 99.1 | 151.9 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | D1043 I1047 | D1043-S1045 PolarHBondContact O-N 3.08Å; S1045-I1047 PolarHBondContact O-N 3.46Å | ||
| 1046 | V | 22 | Very low | 23.6 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | trans | -33.3 | 117.4 | 166 | 177.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1047 | I | 24 | Very low | 23.4 | Very low | 166 Ų | 166 | 155.8 Ų | 155.8 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | -143.8 | 105.5 | 133.8 | -60 | -171.9 | 0 | 0 | 0 | 107.9 | S1045 | S1045-I1047 PolarHBondContact O-N 3.46Š| ||
| 1048 | T | 21.3 | Very low | 23.3 | Very low | 127 Ų | 127 | 153.2 Ų | 153.2 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | trans | -69.5 | 126.7 | 171.2 | 35.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1049 | A | 23.5 | Very low | 23.3 | Very low | 91 Ų | 91 | 153.5 Ų | 153.5 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | trans | -155.3 | 125.9 | 146.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1050 | P | 30 | Very low | 23.4 | Very low | 116 Ų | 116 | 158 Ų | 158 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | -93.3 | 131.8 | -171.3 | 34.8 | -29.6 | 0 | 0 | 0 | 111.5 | ||||
| 1051 | Y | 23 | Very low | 23.4 | Very low | 238 Ų | 238 | 155.7 Ų | 155.7 | 93% | 0.933 | 82% | 0.821 | S | S | * | * | trans | -138.2 | 109.3 | 152.4 | -92.5 | -81.5 | 0 | 0 | 0 | 108.9 | ||||
| 1052 | T | 21 | Very low | 23.4 | Very low | 143 Ų | 143 | 159.8 Ų | 159.8 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | -67.3 | 130.3 | 169.3 | 45.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1053 | G | 25.2 | Very low | 23.3 | Very low | 74 Ų | 74 | 154.6 Ų | 154.6 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | -176.3 | 83.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y1055 | G1053-Y1055 PolarHBondContact O-N 2.98Š| ||
| 1054 | E | 21 | Very low | 23.3 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -55.1 | 119.5 | 166.8 | -68.2 | 172.6 | 138.4 | 0 | 0 | 109.5 | ||||
| 1055 | Y | 24.4 | Very low | 23.5 | Very low | 231 Ų | 231 | 150.6 Ų | 150.6 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -156.7 | 118.2 | 146.4 | -102.6 | -73.2 | 0 | 0 | 0 | 110.7 | G1053 | G1053-Y1055 PolarHBondContact O-N 2.98Š| ||
| 1056 | C | 20.6 | Very low | 23.6 | Very low | 122 Ų | 122 | 149.7 Ų | 149.7 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | 13.6 | 110.8 | 166.3 | -70.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1057 | R | 22.4 | Very low | 24 | Very low | 244 Ų | 244 | 150.3 Ų | 150.3 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -64.5 | 121 | 151.9 | -67.9 | 173.9 | 173.4 | 178.4 | -2.8 | 110.4 | ||||
| 1058 | T | 24.1 | Very low | 24.6 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | -160.6 | 53.5 | 134.6 | 44.8 | 0 | 0 | 0 | 0 | 108.7 | R1060 | T1058-R1060 PolarHBondContact O-N 3.03Š| ||
| 1059 | K | 23 | Very low | 25.5 | Very low | 203 Ų | 203 | 145 Ų | 145 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -72.1 | 84.9 | 159.7 | -75.3 | -175.9 | 179.2 | 177.3 | 0 | 107 | P1061 | K1059-P1061 WeakPolarHBondContact O-CD 3.24Å; K1059-P1061 VanDerWaalsContact O-N 3.13Å | ||
| 1060 | R | 22.8 | Very low | 26.6 | Very low | 211 Ų | 211 | 140.7 Ų | 140.7 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | trans | -58.3 | 111.6 | 155.4 | -103.1 | -176.4 | 175.9 | -169.5 | -6 | 104.7 | T1058 R1062 D1143 | T1058-R1060 PolarHBondContact O-N 3.03Å; R1060-R1062 PolarHBondContact O-N 3.03Å; R1060-D1143 IonicContact NH2-OD2 2.78Å | ||
| 1061 | P | 23.7 | Very low | 27.5 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -59.3 | 141.3 | 172.1 | -9.8 | 25.1 | 0 | 0 | 0 | 106.5 | K1059 S1063 | K1059-P1061 WeakPolarHBondContact O-CD 3.24Å; K1059-P1061 VanDerWaalsContact O-N 3.13Å; P1061-S1063 PolarHBondContact O-N 3.14Å | ||
| 1062 | R | 23.6 | Very low | 28.7 | Very low | 213 Ų | 213 | 125.4 Ų | 125.4 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | trans | -44.6 | 110.9 | 170.8 | -74 | 176.8 | 176.7 | 173.5 | -0.7 | 107.2 | R1060 P1064 | R1060-R1062 PolarHBondContact O-N 3.03Å; R1062-P1064 VanDerWaalsContact C-N 3.35Å; R1062-P1064 WeakPolarHBondContact O-CD 2.97Å | ||
| 1063 | S | 20.9 | Very low | 30.4 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 77% | 0.769 | 62% | 0.618 | S | S | * | * | trans | -56.5 | 110.3 | 154.9 | 24.6 | 0 | 0 | 0 | 0 | 103.8 | P1061 | P1061-S1063 PolarHBondContact O-N 3.14Š| ||
| 1064 | P | 23.9 | Very low | 31.6 | Very low | 87 Ų | 87 | 117 Ų | 117 | 57% | 0.565 | 59% | 0.59 | S | S | * | * | trans | -56.2 | 145.7 | 174.1 | -13.7 | 28.8 | 0 | 0 | 0 | 106.3 | R1062 | R1062-P1064 VanDerWaalsContact C-N 3.35Å; R1062-P1064 WeakPolarHBondContact O-CD 2.97Å | ||
| 1065 | P | 28.2 | Very low | 33 | Very low | 111 Ų | 111 | 111.1 Ų | 111.1 | 72% | 0.721 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -49.2 | 127.5 | 173.6 | 23.8 | -32 | 0 | 0 | 0 | 106 | L1067 | P1065-L1067 PolarHBondContact O-N 3.33Š|
| 1066 | P | 27.7 | Very low | 34.5 | Very low | 95 Ų | 95 | 103.8 Ų | 103.8 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | trans | -49.6 | 112.4 | -165.7 | 16.3 | -28.8 | 0 | 0 | 0 | 106.7 | H1068 | P1066-H1068 PolarHBondContact O-N 3.17Š| ||
| 1067 | L | 30.6 | Very low | 36.5 | Very low | 140 Ų | 140 | 98.8 Ų | 98.8 | 73% | 0.733 | 51% | 0.511 | S | S | * | . | trans | -68.5 | 68.1 | 169 | -80.7 | 163 | 0 | 0 | 0 | 104.3 | P1065 L1069 | P1065-L1067 PolarHBondContact O-N 3.33Å; L1067-L1069 HydrophobicContact CD2-CD1 4.43Å; L1067-L1069 PolarHBondContact O-N 3.07Å | ||
| 1068 | H | 35.7 | Very low | 38.2 | Very low | 61 Ų | 61 | 89.8 Ų | 89.8 | 28% | 0.282 | 48% | 0.481 | S | S | . | . | trans | -71.6 | 72.4 | 160.3 | -154.5 | -94.6 | 0 | 0 | 0 | 104.2 | P1066 S1070 Q1111 | P1066-H1068 PolarHBondContact O-N 3.17Å; H1068-S1070 PolarHBondContact O-N 3.49Å; H1068-Q1111 PolarHBondContact CE1-OE1 3.43Å | ||
| 1069 | L | 41 | Very low | 40.2 | Very low | 120 Ų | 120 | 86.9 Ų | 86.9 | 63% | 0.628 | 46% | 0.464 | S | S | * | . | trans | -64.4 | 76.5 | 153.8 | -82.8 | 151 | 0 | 0 | 0 | 103.8 | L1067 P1071 | L1067-L1069 HydrophobicContact CD2-CD1 4.43Å; L1067-L1069 PolarHBondContact O-N 3.07Å; L1069-P1071 WeakPolarHBondContact O-CD 3.41Å; L1069-P1071 VanDerWaalsContact O-N 3.14Å | ||
| 1070 | S | 46.3 | Very low | 42.2 | Very low | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.007 | 43% | 0.429 | C | S | . | . | trans | -49.8 | 124.8 | 168.6 | 174.5 | 0 | 0 | 0 | 0 | 106 | H1068 A1072 A1073 D1158 | H1068-S1070 PolarHBondContact O-N 3.49Å; S1070-A1072 PolarHBondContact O-N 3.17Å; S1070-A1072 PolarHBondContact OG-N 2.96Å; S1070-A1073 WeakPolarHBondContact O-CB 3.47Å; S1070-A1073 PolarHBondContact O-N 3.4Å; S1070-D1158 WeakPolarHBondContact CB-OD2 3.24Å; S1070-D1158 PolarHBondContact OG-OD2 3.29Å | ||
| 1071 | P | 48 | Very low | 44.2 | Very low | 31 Ų | 31 | 69.3 Ų | 69.3 | 20% | 0.201 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.5 | 177.7 | 13.5 | -18.5 | 0 | 0 | 0 | 111.4 | L1069 A1104 C1107 | L1069-P1071 WeakPolarHBondContact O-CD 3.41Å; L1069-P1071 VanDerWaalsContact O-N 3.14Å; P1071-A1104 HydrophobicContact CB-CB 4.43Å; P1071-A1104 WeakPolarHBondContact O-CB 3.35Å; P1071-C1107 HydrophobicContact CB-CB 4.29Å; P1071-C1107 HydrophobicContact CG-CB 3.57Å; P1071-C1107 WeakPolarHBondContact CG-SG 3.35Å |
| 1072 | A | 49.4 | Very low | 46.3 | Very low | 2 Ų | 2 | 67.7 Ų | 67.7 | 2% | 0.017 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 13.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1070 L1077 L1108 | S1070-A1072 PolarHBondContact O-N 3.17Å; S1070-A1072 PolarHBondContact OG-N 2.96Å; A1072-L1077 HydrophobicContact CB-CD1 3.93Å; A1072-L1077 HydrophobicContact CB-CD2 4.43Å; A1072-L1077 HydrophobicContact CB-CG 4.29Å; A1072-L1077 WeakPolarHBondContact O-CD1 2.96Å; A1072-L1077 WeakPolarHBondContact O-CG 3.32Å; A1072-L1108 HydrophobicContact CB-CB 3.61Å; A1072-L1108 HydrophobicContact CB-CD1 3.27Å; A1072-L1108 HydrophobicContact CB-CG 4.03Å |
| 1073 | A | 55.1 | Low | 48.6 | Very low | 13 Ų | 13 | 58.8 Ų | 58.8 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | trans | -54.3 | 142.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | S1070 S1075 L1076 L1077 | S1070-A1073 WeakPolarHBondContact O-CB 3.47Å; S1070-A1073 PolarHBondContact O-N 3.4Å; A1073-S1075 PolarHBondContact O-N 3.11Å; A1073-L1076 PolarHBondContact O-N 2.86Å; A1073-L1077 PolarHBondContact O-N 3Å; A1073-L1077 VanDerWaalsContact O-N 3.09Å | ||
| 1074 | P | 51.1 | Low | 50.9 | Low | 26 Ų | 26 | 55.2 Ų | 55.2 | 17% | 0.169 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.5 | -31.3 | -177.3 | -27.7 | 34.8 | 0 | 0 | 0 | 113.4 | F988 L1076 L1078 F1161 | F988-P1074 HydrophobicContact CE1-CB 4.45Å; F988-P1074 HydrophobicContact CE1-CG 4.45Å; P1074-L1076 PolarHBondContact O-N 3.29Å; P1074-L1078 WeakPolarHBondContact O-CB 3.29Å; P1074-L1078 PolarHBondContact O-N 2.71Å; P1074-F1161 HydrophobicContact CB-CD1 4.21Å; P1074-F1161 HydrophobicContact CB-CE1 3.6Å; P1074-F1161 HydrophobicContact CB-CE2 4.45Å; P1074-F1161 HydrophobicContact CB-CZ 3.73Å; P1074-F1161 HydrophobicContact CG-CD1 3.55Å; P1074-F1161 HydrophobicContact CG-CD2 4.02Å; P1074-F1161 HydrophobicContact CG-CE1 3.41Å; P1074-F1161 VanDerWaalsContact CG-CE1 3.41Å; P1074-F1161 HydrophobicContact CG-CE2 3.84Å; P1074-F1161 HydrophobicContact CG-CG 3.88Å; P1074-F1161 HydrophobicContact CG-CZ 3.56Å |
| 1075 | S | 50 | Low | 53 | Low | 64 Ų | 64 | 53.2 Ų | 53.2 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.2 | -23.3 | 176 | 51.3 | 0 | 0 | 0 | 0 | 114.6 | A1073 P1079 | A1073-S1075 PolarHBondContact O-N 3.11Å; S1075-P1079 VanDerWaalsContact O-CD 3.32Å; S1075-P1079 WeakPolarHBondContact O-CD 3.37Å; S1075-P1079 WeakPolarHBondContact O-CG 3.24Å |
| 1076 | L | 56.6 | Low | 55.1 | Low | 77 Ų | 77 | 50.4 Ų | 50.4 | 40% | 0.403 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -98.2 | -44.6 | 176.5 | -68.9 | 173.5 | 0 | 0 | 0 | 111.3 | A1073 P1074 P1079 L1080 | A1073-L1076 PolarHBondContact O-N 2.86Å; P1074-L1076 PolarHBondContact O-N 3.29Å; L1076-P1079 WeakPolarHBondContact O-CD 3.44Å; L1076-L1080 VanDerWaalsContact O-CG 3.28Å; L1076-L1080 WeakPolarHBondContact O-CG 3.45Å |
| 1077 | L | 61.5 | Low | 57.2 | Low | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.1 | -41.7 | -178.7 | -67 | -176.9 | 0 | 0 | 0 | 112.6 | A1072 A1073 L1080 I1081 L1101 A1104 | A1072-L1077 HydrophobicContact CB-CD1 3.93Å; A1072-L1077 HydrophobicContact CB-CD2 4.43Å; A1072-L1077 HydrophobicContact CB-CG 4.29Å; A1072-L1077 WeakPolarHBondContact O-CD1 2.96Å; A1072-L1077 WeakPolarHBondContact O-CG 3.32Å; A1073-L1077 PolarHBondContact O-N 3Å; A1073-L1077 VanDerWaalsContact O-N 3.09Å; L1077-L1080 PolarHBondContact O-N 3.46Å; L1077-L1080 VanDerWaalsContact O-N 3.14Å; L1077-I1081 HydrophobicContact CB-CD1 4.28Å; L1077-I1081 VanDerWaalsContact O-CG1 3.26Å; L1077-I1081 WeakPolarHBondContact O-CG1 3.42Å; L1077-I1081 PolarHBondContact O-N 2.72Å; L1077-L1101 HydrophobicContact CD2-CD2 4.5Å; L1077-L1101 HydrophobicContact CD2-CG 4.3Å; L1077-A1104 HydrophobicContact CD2-CB 3.94Å |
| 1078 | L | 59.9 | Low | 59.3 | Low | 56 Ų | 56 | 49.1 Ų | 49.1 | 29% | 0.293 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | -172.8 | -168.3 | 72 | 0 | 0 | 0 | 112.7 | P1074 L1080 T1082 F1169 L1177 | P1074-L1078 WeakPolarHBondContact O-CB 3.29Å; P1074-L1078 PolarHBondContact O-N 2.71Å; L1078-L1080 VanDerWaalsContact C-N 3.33Å; L1078-L1080 PolarHBondContact O-N 3.15Å; L1078-T1082 WeakPolarHBondContact O-CB 3.3Å; L1078-T1082 PolarHBondContact O-N 3.49Å; L1078-T1082 PolarHBondContact O-OG1 3.36Å; L1078-F1169 HydrophobicContact CD1-CE1 4.37Å; L1078-F1169 HydrophobicContact CD1-CZ 4.4Å; L1078-F1169 HydrophobicContact CD2-CZ 4.26Å; L1078-L1177 HydrophobicContact CD1-CD1 3.9Å; L1078-L1177 HydrophobicContact CD1-CD2 4.27Å |
| 1079 | P | 64.4 | Low | 61.1 | Low | 76 Ų | 76 | 49.2 Ų | 49.2 | 49% | 0.494 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 171.4 | -24.6 | 35 | 0 | 0 | 0 | 113.5 | S1075 L1076 T1082 A1083 | S1075-P1079 VanDerWaalsContact O-CD 3.32Å; S1075-P1079 WeakPolarHBondContact O-CD 3.37Å; S1075-P1079 WeakPolarHBondContact O-CG 3.24Å; L1076-P1079 WeakPolarHBondContact O-CD 3.44Å; P1079-T1082 PolarHBondContact O-N 2.98Å; P1079-A1083 VanDerWaalsContact O-CB 3.27Å; P1079-A1083 WeakPolarHBondContact O-CB 3.34Å; P1079-A1083 PolarHBondContact O-N 3.43Å |
| 1080 | L | 66.6 | Low | 62.9 | Low | 29 Ų | 29 | 45.9 Ų | 45.9 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.2 | -41.9 | 179.9 | -65.3 | 176.2 | 0 | 0 | 0 | 112.4 | L1076 L1077 L1078 T1082 A1083 R1084 Q1100 L1101 | L1076-L1080 VanDerWaalsContact O-CG 3.28Å; L1076-L1080 WeakPolarHBondContact O-CG 3.45Å; L1077-L1080 PolarHBondContact O-N 3.46Å; L1077-L1080 VanDerWaalsContact O-N 3.14Å; L1078-L1080 VanDerWaalsContact C-N 3.33Å; L1078-L1080 PolarHBondContact O-N 3.15Å; L1080-T1082 VanDerWaalsContact C-N 3.34Å; L1080-A1083 PolarHBondContact O-N 3.03Å; L1080-R1084 VanDerWaalsContact O-CB 3.29Å; L1080-R1084 WeakPolarHBondContact O-CB 3.46Å; L1080-R1084 PolarHBondContact O-N 3.11Å; L1080-Q1100 HydrophobicContact CD1-CB 3.91Å; L1080-Q1100 HydrophobicContact CD2-CB 3.93Å; L1080-L1101 HydrophobicContact CB-CB 4.37Å; L1080-L1101 HydrophobicContact CB-CD1 4.25Å; L1080-L1101 HydrophobicContact CB-CG 4.44Å |
| 1081 | I | 64.8 | Low | 64.7 | Low | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 173.2 | -64.4 | 159.9 | 0 | 0 | 0 | 109.3 | L1077 A1083 R1084 D1085 L1101 L1177 T1181 | L1077-I1081 HydrophobicContact CB-CD1 4.28Å; L1077-I1081 VanDerWaalsContact O-CG1 3.26Å; L1077-I1081 WeakPolarHBondContact O-CG1 3.42Å; L1077-I1081 PolarHBondContact O-N 2.72Å; I1081-A1083 VanDerWaalsContact C-N 3.32Å; I1081-A1083 PolarHBondContact O-N 3.44Å; I1081-R1084 PolarHBondContact O-N 2.96Å; I1081-D1085 WeakPolarHBondContact CG2-OD2 3.2Å; I1081-D1085 WeakPolarHBondContact O-CB 3.48Å; I1081-D1085 PolarHBondContact O-N 3.24Å; I1081-L1101 HydrophobicContact CB-CD1 4.38Å; I1081-L1101 HydrophobicContact CG1-CD1 3.48Å; I1081-L1101 VanDerWaalsContact CG1-CD1 3.48Å; I1081-L1177 HydrophobicContact CB-CD2 4.47Å; I1081-L1177 HydrophobicContact CD1-CD2 4.17Å; I1081-L1177 HydrophobicContact CG2-CD2 3.67Å; I1081-L1177 HydrophobicContact CG2-CG 4.19Å; I1081-T1181 HydrophobicContact CD1-CG2 3.62Å; I1081-T1181 HydrophobicContact CG1-CG2 4.05Å; I1081-T1181 HydrophobicContact CG2-CG2 4.15Å |
| 1082 | T | 66.8 | Low | 66.4 | Low | 78 Ų | 78 | 53.4 Ų | 53.4 | 48% | 0.479 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 178.6 | -52.3 | 0 | 0 | 0 | 0 | 111 | L1078 P1079 L1080 D1085 N1086 | L1078-T1082 WeakPolarHBondContact O-CB 3.3Å; L1078-T1082 PolarHBondContact O-N 3.49Å; L1078-T1082 PolarHBondContact O-OG1 3.36Å; P1079-T1082 PolarHBondContact O-N 2.98Å; L1080-T1082 VanDerWaalsContact C-N 3.34Å; T1082-D1085 PolarHBondContact O-N 3.28Å; T1082-N1086 WeakPolarHBondContact O-CB 3.44Å; T1082-N1086 PolarHBondContact O-N 2.98Å |
| 1083 | A | 71.1 | Confident | 67.9 | Low | 26 Ų | 26 | 57.1 Ų | 57.1 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1079 L1080 I1081 D1085 N1086 L1089 A1097 | P1079-A1083 VanDerWaalsContact O-CB 3.27Å; P1079-A1083 WeakPolarHBondContact O-CB 3.34Å; P1079-A1083 PolarHBondContact O-N 3.43Å; L1080-A1083 PolarHBondContact O-N 3.03Å; I1081-A1083 VanDerWaalsContact C-N 3.32Å; I1081-A1083 PolarHBondContact O-N 3.44Å; A1083-D1085 VanDerWaalsContact C-N 3.32Å; A1083-D1085 PolarHBondContact O-N 3.34Å; A1083-N1086 PolarHBondContact O-N 3.3Å; A1083-L1089 HydrophobicContact CB-CD1 3.89Å; A1083-L1089 WeakPolarHBondContact O-CD1 3.3Å; A1083-A1097 HydrophobicContact CB-CB 3.77Å |
| 1084 | R | 70.3 | Confident | 68.9 | Low | 34 Ų | 34 | 59.9 Ų | 59.9 | 13% | 0.128 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 174.9 | -174.5 | -163.2 | 70.7 | 167.8 | -5.7 | 111.5 | L1080 I1081 R1094 A1097 R1180 L1184 | L1080-R1084 VanDerWaalsContact O-CB 3.29Å; L1080-R1084 WeakPolarHBondContact O-CB 3.46Å; L1080-R1084 PolarHBondContact O-N 3.11Å; I1081-R1084 PolarHBondContact O-N 2.96Å; R1084-R1094 VanDerWaalsContact O-CD 3.26Å; R1084-R1094 WeakPolarHBondContact O-CD 3.5Å; R1084-A1097 HydrophobicContact CB-CB 4.3Å; R1084-R1180 PolarHBondContact NH1-O 3.03Å; R1084-R1180 PolarHBondContact NH2-O 3.33Å; R1084-L1184 VanDerWaalsContact NH1-CD2 3.26Å |
| 1085 | D | 66.9 | Low | 70.1 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -89.9 | -8.3 | -172.8 | -64.4 | -14.6 | 0 | 0 | 0 | 113.2 | I1081 T1082 A1083 P1087 | I1081-D1085 WeakPolarHBondContact CG2-OD2 3.2Å; I1081-D1085 WeakPolarHBondContact O-CB 3.48Å; I1081-D1085 PolarHBondContact O-N 3.24Å; T1082-D1085 PolarHBondContact O-N 3.28Å; A1083-D1085 VanDerWaalsContact C-N 3.32Å; A1083-D1085 PolarHBondContact O-N 3.34Å; D1085-P1087 WeakPolarHBondContact O-CD 3.27Å |
| 1086 | N | 74 | Confident | 71.5 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | trans | -77 | 111.9 | -177.8 | -178.3 | -1.1 | 0 | 0 | 0 | 111.4 | T1082 A1083 S1088 L1089 | T1082-N1086 WeakPolarHBondContact O-CB 3.44Å; T1082-N1086 PolarHBondContact O-N 2.98Å; A1083-N1086 PolarHBondContact O-N 3.3Å; N1086-S1088 PolarHBondContact ND2-OG 3.12Å; N1086-S1088 VanDerWaalsContact ND2-OG 3.08Å; N1086-S1088 PolarHBondContact O-N 3.14Å; N1086-S1088 VanDerWaalsContact O-N 3.15Å; N1086-S1088 WeakPolarHBondContact OD1-CB 3.07Å; N1086-S1088 PolarHBondContact OD1-N 3.38Å; N1086-S1088 PolarHBondContact OD1-OG 3.04Å; N1086-L1089 HydrophobicContact CB-CD1 4.1Å; N1086-L1089 HydrophobicContact CB-CG 4.32Å; N1086-L1089 PolarHBondContact O-N 2.75Å | ||
| 1087 | P | 71.4 | Confident | 72.4 | Confident | 110 Ų | 110 | 59 Ų | 59 | 71% | 0.714 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12.8 | -178.5 | 29.9 | -35.3 | 0 | 0 | 0 | 114.3 | D1085 | D1085-P1087 WeakPolarHBondContact O-CD 3.27Š|
| 1088 | S | 73.9 | Confident | 73 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 69% | 0.685 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -12.3 | 178.3 | 66.9 | 0 | 0 | 0 | 0 | 114.3 | N1086 | N1086-S1088 PolarHBondContact ND2-OG 3.12Å; N1086-S1088 VanDerWaalsContact ND2-OG 3.08Å; N1086-S1088 PolarHBondContact O-N 3.14Å; N1086-S1088 VanDerWaalsContact O-N 3.15Å; N1086-S1088 WeakPolarHBondContact OD1-CB 3.07Å; N1086-S1088 PolarHBondContact OD1-N 3.38Å; N1086-S1088 PolarHBondContact OD1-OG 3.04Å |
| 1089 | L | 74.9 | Confident | 73.7 | Confident | 63 Ų | 63 | 61.1 Ų | 61.1 | 33% | 0.33 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -84.1 | 157 | 175.3 | -71.6 | 174 | 0 | 0 | 0 | 111.4 | A1083 N1086 D1093 R1094 | A1083-L1089 HydrophobicContact CB-CD1 3.89Å; A1083-L1089 WeakPolarHBondContact O-CD1 3.3Å; N1086-L1089 HydrophobicContact CB-CD1 4.1Å; N1086-L1089 HydrophobicContact CB-CG 4.32Å; N1086-L1089 PolarHBondContact O-N 2.75Å; L1089-D1093 HydrophobicContact CB-CB 4.24Å; L1089-R1094 HydrophobicContact CB-CG 4.22Å |
| 1090 | S | 78.1 | Confident | 74.3 | Confident | 51 Ų | 51 | 62.3 Ų | 62.3 | 36% | 0.357 | 36% | 0.363 | S | S | . | . | trans | -65.8 | 152.7 | 176.1 | 75.5 | 0 | 0 | 0 | 0 | 110.7 | S1092 D1093 R1094 | S1090-S1092 PolarHBondContact O-N 3.22Å; S1090-S1092 PolarHBondContact OG-OG 3.32Å; S1090-D1093 WeakPolarHBondContact CB-OD2 3.42Å; S1090-D1093 PolarHBondContact N-OD2 3.05Å; S1090-D1093 PolarHBondContact O-N 3.02Å; S1090-D1093 PolarHBondContact OG-N 3.01Å; S1090-D1093 PolarHBondContact OG-OD2 3.17Å; S1090-R1094 PolarHBondContact O-N 3.27Å; S1090-R1094 VanDerWaalsContact O-N 3.09Å | ||
| 1091 | E | 83.9 | Confident | 74.4 | Confident | 110 Ų | 110 | 61.1 Ų | 61.1 | 51% | 0.514 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -56.5 | -37.5 | 177.3 | -175 | 61.6 | -169 | 0 | 0 | 111.9 | D1093 R1094 I1095 | E1091-D1093 PolarHBondContact O-N 3.16Å; E1091-R1094 PolarHBondContact O-N 2.91Å; E1091-R1094 IonicContact OE2-CZ 2.86Å; E1091-R1094 IonicContact OE2-NE 3.4Å; E1091-R1094 PolarHBondContact OE2-NE 2.77Å; E1091-R1094 VanDerWaalsContact OE2-NE 3.09Å; E1091-R1094 IonicContact OE2-NH2 3.77Å; E1091-R1094 PolarHBondContact OE2-NH2 3.49Å; E1091-I1095 HydrophobicContact CG-CD1 3.88Å; E1091-I1095 HydrophobicContact CG-CG1 4.48Å; E1091-I1095 VanDerWaalsContact O-CG1 3.26Å; E1091-I1095 WeakPolarHBondContact O-CG1 3.49Å; E1091-I1095 PolarHBondContact O-N 3.42Å |
| 1092 | S | 83.8 | Confident | 74.7 | Confident | 80 Ų | 80 | 63.4 Ų | 63.4 | 56% | 0.559 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.5 | -40.6 | 174.8 | 41.1 | 0 | 0 | 0 | 0 | 113.2 | S1090 I1095 A1096 | S1090-S1092 PolarHBondContact O-N 3.22Å; S1090-S1092 PolarHBondContact OG-OG 3.32Å; S1092-I1095 PolarHBondContact O-N 2.98Å; S1092-A1096 WeakPolarHBondContact O-CB 3.43Å; S1092-A1096 PolarHBondContact O-N 3.39Å |
| 1093 | D | 81.7 | Confident | 75 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 43% | 0.428 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 179.1 | -60.5 | -39.3 | 0 | 0 | 0 | 111.2 | L1089 S1090 E1091 A1096 A1097 | L1089-D1093 HydrophobicContact CB-CB 4.24Å; S1090-D1093 WeakPolarHBondContact CB-OD2 3.42Å; S1090-D1093 PolarHBondContact N-OD2 3.05Å; S1090-D1093 PolarHBondContact O-N 3.02Å; S1090-D1093 PolarHBondContact OG-N 3.01Å; S1090-D1093 PolarHBondContact OG-OD2 3.17Å; E1091-D1093 PolarHBondContact O-N 3.16Å; D1093-A1096 PolarHBondContact O-N 3.25Å; D1093-A1097 WeakPolarHBondContact O-CB 3.4Å; D1093-A1097 PolarHBondContact O-N 3.04Å |
| 1094 | R | 75.7 | Confident | 74.8 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 27% | 0.268 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 175.8 | -65.3 | -167 | -68.5 | -150.1 | -3.3 | 111.7 | R1084 L1089 S1090 E1091 A1097 S1098 | R1084-R1094 VanDerWaalsContact O-CD 3.26Å; R1084-R1094 WeakPolarHBondContact O-CD 3.5Å; L1089-R1094 HydrophobicContact CB-CG 4.22Å; S1090-R1094 PolarHBondContact O-N 3.27Å; S1090-R1094 VanDerWaalsContact O-N 3.09Å; E1091-R1094 PolarHBondContact O-N 2.91Å; E1091-R1094 IonicContact OE2-CZ 2.86Å; E1091-R1094 IonicContact OE2-NE 3.4Å; E1091-R1094 PolarHBondContact OE2-NE 2.77Å; E1091-R1094 VanDerWaalsContact OE2-NE 3.09Å; E1091-R1094 IonicContact OE2-NH2 3.77Å; E1091-R1094 PolarHBondContact OE2-NH2 3.49Å; R1094-A1097 PolarHBondContact O-N 3.3Å; R1094-S1098 WeakPolarHBondContact O-CB 3.32Å; R1094-S1098 PolarHBondContact O-N 3.26Å |
| 1095 | I | 76 | Confident | 74.7 | Confident | 100 Ų | 100 | 60.6 Ų | 60.6 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 175.8 | -68.7 | 168.4 | 0 | 0 | 0 | 110.5 | E1091 S1092 S1098 S1099 | E1091-I1095 HydrophobicContact CG-CD1 3.88Å; E1091-I1095 HydrophobicContact CG-CG1 4.48Å; E1091-I1095 VanDerWaalsContact O-CG1 3.26Å; E1091-I1095 WeakPolarHBondContact O-CG1 3.49Å; E1091-I1095 PolarHBondContact O-N 3.42Å; S1092-I1095 PolarHBondContact O-N 2.98Å; I1095-S1098 WeakPolarHBondContact O-CB 3.36Å; I1095-S1098 PolarHBondContact O-N 2.91Å; I1095-S1099 PolarHBondContact O-N 3.23Å |
| 1096 | A | 78.9 | Confident | 74.9 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1092 D1093 S1098 S1099 Q1100 | S1092-A1096 WeakPolarHBondContact O-CB 3.43Å; S1092-A1096 PolarHBondContact O-N 3.39Å; D1093-A1096 PolarHBondContact O-N 3.25Å; A1096-S1098 VanDerWaalsContact C-N 3.33Å; A1096-S1098 PolarHBondContact O-N 3.41Å; A1096-S1099 PolarHBondContact O-N 3.27Å; A1096-Q1100 WeakPolarHBondContact O-CG 3.22Å; A1096-Q1100 PolarHBondContact O-N 2.92Å |
| 1097 | A | 76.8 | Confident | 74.5 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1083 R1084 D1093 R1094 Q1100 L1101 | A1083-A1097 HydrophobicContact CB-CB 3.77Å; R1084-A1097 HydrophobicContact CB-CB 4.3Å; D1093-A1097 WeakPolarHBondContact O-CB 3.4Å; D1093-A1097 PolarHBondContact O-N 3.04Å; R1094-A1097 PolarHBondContact O-N 3.3Å; A1097-Q1100 PolarHBondContact O-N 3.2Å; A1097-L1101 WeakPolarHBondContact O-CB 3.49Å; A1097-L1101 PolarHBondContact O-N 2.89Å |
| 1098 | S | 73.9 | Confident | 74.3 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 175 | -165.4 | 0 | 0 | 0 | 0 | 112.1 | R1094 I1095 A1096 L1101 T1102 | R1094-S1098 WeakPolarHBondContact O-CB 3.32Å; R1094-S1098 PolarHBondContact O-N 3.26Å; I1095-S1098 WeakPolarHBondContact O-CB 3.36Å; I1095-S1098 PolarHBondContact O-N 2.91Å; A1096-S1098 VanDerWaalsContact C-N 3.33Å; A1096-S1098 PolarHBondContact O-N 3.41Å; S1098-L1101 WeakPolarHBondContact O-CB 3.45Å; S1098-L1101 PolarHBondContact O-N 2.87Å; S1098-T1102 PolarHBondContact O-N 3.38Å; S1098-T1102 PolarHBondContact O-OG1 3.37Å; S1098-T1102 VanDerWaalsContact O-OG1 3.07Å |
| 1099 | S | 74.9 | Confident | 74 | Confident | 76 Ų | 76 | 50.2 Ų | 50.2 | 53% | 0.531 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 178.3 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | I1095 A1096 L1101 T1102 A1103 | I1095-S1099 PolarHBondContact O-N 3.23Å; A1096-S1099 PolarHBondContact O-N 3.27Å; S1099-L1101 VanDerWaalsContact C-N 3.3Å; S1099-L1101 PolarHBondContact O-N 2.97Å; S1099-T1102 PolarHBondContact O-N 3.02Å; S1099-A1103 PolarHBondContact O-N 2.97Å |
| 1100 | Q | 75.6 | Confident | 73.5 | Confident | 102 Ų | 102 | 50.6 Ų | 50.6 | 48% | 0.477 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 175.1 | -71.5 | 176.4 | 6.1 | 0 | 0 | 111.9 | L1080 A1096 A1097 A1103 A1104 | L1080-Q1100 HydrophobicContact CD1-CB 3.91Å; L1080-Q1100 HydrophobicContact CD2-CB 3.93Å; A1096-Q1100 WeakPolarHBondContact O-CG 3.22Å; A1096-Q1100 PolarHBondContact O-N 2.92Å; A1097-Q1100 PolarHBondContact O-N 3.2Å; Q1100-A1103 PolarHBondContact O-N 2.91Å; Q1100-A1104 WeakPolarHBondContact O-CB 3.4Å; Q1100-A1104 PolarHBondContact O-N 3.11Å |
| 1101 | L | 69.2 | Low | 72.9 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 176.4 | -156.4 | 163.7 | 0 | 0 | 0 | 110.9 | L1077 L1080 I1081 A1097 S1098 S1099 A1103 A1104 L1105 L1184 | L1077-L1101 HydrophobicContact CD2-CD2 4.5Å; L1077-L1101 HydrophobicContact CD2-CG 4.3Å; L1080-L1101 HydrophobicContact CB-CB 4.37Å; L1080-L1101 HydrophobicContact CB-CD1 4.25Å; L1080-L1101 HydrophobicContact CB-CG 4.44Å; I1081-L1101 HydrophobicContact CB-CD1 4.38Å; I1081-L1101 HydrophobicContact CG1-CD1 3.48Å; I1081-L1101 VanDerWaalsContact CG1-CD1 3.48Å; A1097-L1101 WeakPolarHBondContact O-CB 3.49Å; A1097-L1101 PolarHBondContact O-N 2.89Å; S1098-L1101 WeakPolarHBondContact O-CB 3.45Å; S1098-L1101 PolarHBondContact O-N 2.87Å; S1099-L1101 VanDerWaalsContact C-N 3.3Å; S1099-L1101 PolarHBondContact O-N 2.97Å; L1101-A1103 PolarHBondContact O-N 3.36Å; L1101-A1104 PolarHBondContact O-N 2.91Å; L1101-L1105 HydrophobicContact CD2-CD1 3.45Å; L1101-L1105 VanDerWaalsContact CD2-CD1 3.45Å; L1101-L1105 HydrophobicContact CD2-CG 3.93Å; L1101-L1105 WeakPolarHBondContact O-CG 3.39Å; L1101-L1105 PolarHBondContact O-N 3.38Å; L1101-L1184 HydrophobicContact CD1-CD1 3.72Å; L1101-L1184 HydrophobicContact CD2-CD1 3.44Å; L1101-L1184 VanDerWaalsContact CD2-CD1 3.44Å; L1101-L1184 HydrophobicContact CD2-CD2 4.16Å; L1101-L1184 HydrophobicContact CD2-CG 4.24Å; L1101-L1184 HydrophobicContact CG-CD1 4.25Å |
| 1102 | T | 70.6 | Confident | 71.9 | Confident | 64 Ų | 64 | 44.1 Ų | 44.1 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 173.1 | -57 | 0 | 0 | 0 | 0 | 111.8 | S1098 S1099 L1105 S1106 F1188 | S1098-T1102 PolarHBondContact O-N 3.38Å; S1098-T1102 PolarHBondContact O-OG1 3.37Å; S1098-T1102 VanDerWaalsContact O-OG1 3.07Å; S1099-T1102 PolarHBondContact O-N 3.02Å; T1102-L1105 PolarHBondContact O-N 3.1Å; T1102-S1106 WeakPolarHBondContact O-CB 3.45Å; T1102-S1106 PolarHBondContact O-N 3.31Å; T1102-F1188 HydrophobicContact CG2-CE2 4.47Å; T1102-F1188 HydrophobicContact CG2-CZ 3.76Å; T1102-F1188 WeakPolarHBondContact O-CZ 3.46Å |
| 1103 | A | 73.2 | Confident | 70.7 | Confident | 60 Ų | 60 | 40.7 Ų | 40.7 | 50% | 0.496 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1099 Q1100 L1101 S1106 C1107 | S1099-A1103 PolarHBondContact O-N 2.97Å; Q1100-A1103 PolarHBondContact O-N 2.91Å; L1101-A1103 PolarHBondContact O-N 3.36Å; A1103-S1106 PolarHBondContact O-N 3.49Å; A1103-C1107 WeakPolarHBondContact O-CB 3.47Å; A1103-C1107 PolarHBondContact O-N 3.32Å |
| 1104 | A | 67.3 | Low | 69.5 | Low | 10 Ų | 10 | 37.2 Ų | 37.2 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1071 L1077 Q1100 L1101 C1107 L1108 | P1071-A1104 HydrophobicContact CB-CB 4.43Å; P1071-A1104 WeakPolarHBondContact O-CB 3.35Å; L1077-A1104 HydrophobicContact CD2-CB 3.94Å; Q1100-A1104 WeakPolarHBondContact O-CB 3.4Å; Q1100-A1104 PolarHBondContact O-N 3.11Å; L1101-A1104 PolarHBondContact O-N 2.91Å; A1104-C1107 PolarHBondContact O-N 2.91Å; A1104-L1108 PolarHBondContact O-N 3.01Å |
| 1105 | L | 69.1 | Low | 67.6 | Low | 10 Ų | 10 | 41.7 Ų | 41.7 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -42.2 | 175.9 | -73.2 | 175 | 0 | 0 | 0 | 111.8 | L1101 T1102 C1107 L1108 V1109 L1184 L1185 F1188 | L1101-L1105 HydrophobicContact CD2-CD1 3.45Å; L1101-L1105 VanDerWaalsContact CD2-CD1 3.45Å; L1101-L1105 HydrophobicContact CD2-CG 3.93Å; L1101-L1105 WeakPolarHBondContact O-CG 3.39Å; L1101-L1105 PolarHBondContact O-N 3.38Å; T1102-L1105 PolarHBondContact O-N 3.1Å; L1105-C1107 VanDerWaalsContact C-N 3.31Å; L1105-C1107 PolarHBondContact O-N 2.93Å; L1105-L1108 PolarHBondContact O-N 3.1Å; L1105-V1109 VanDerWaalsContact O-CG2 3.3Å; L1105-V1109 WeakPolarHBondContact O-CG2 3.44Å; L1105-V1109 PolarHBondContact O-N 3.45Å; L1105-L1184 HydrophobicContact CD1-CB 4.1Å; L1105-L1185 HydrophobicContact CD1-CD2 4.47Å; L1105-L1185 HydrophobicContact CD2-CD2 4.24Å; L1105-F1188 HydrophobicContact CB-CD1 4.49Å; L1105-F1188 HydrophobicContact CB-CD2 4.21Å; L1105-F1188 HydrophobicContact CB-CE1 4.09Å; L1105-F1188 HydrophobicContact CB-CE2 3.78Å; L1105-F1188 HydrophobicContact CB-CZ 3.7Å; L1105-F1188 HydrophobicContact CD1-CD2 4.2Å; L1105-F1188 HydrophobicContact CD1-CE2 3.84Å; L1105-F1188 HydrophobicContact CG-CE2 4.49Å |
| 1106 | S | 69.1 | Low | 65.6 | Low | 37 Ų | 37 | 42.2 Ų | 42.2 | 26% | 0.259 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.3 | -47.9 | 174.9 | -168 | 0 | 0 | 0 | 0 | 111.1 | T1102 A1103 L1108 V1109 D1110 | T1102-S1106 WeakPolarHBondContact O-CB 3.45Å; T1102-S1106 PolarHBondContact O-N 3.31Å; A1103-S1106 PolarHBondContact O-N 3.49Å; S1106-L1108 PolarHBondContact O-N 2.78Å; S1106-V1109 PolarHBondContact O-N 3.43Å; S1106-V1109 VanDerWaalsContact O-N 3.14Å; S1106-D1110 VanDerWaalsContact O-CG 3.22Å; S1106-D1110 PolarHBondContact O-N 3.47Å |
| 1107 | C | 67.1 | Low | 63.2 | Low | 42 Ų | 42 | 44.4 Ų | 44.4 | 28% | 0.284 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | -179.6 | -171 | 0 | 0 | 0 | 0 | 112.5 | P1071 A1103 A1104 L1105 V1109 D1110 Q1111 | P1071-C1107 HydrophobicContact CB-CB 4.29Å; P1071-C1107 HydrophobicContact CG-CB 3.57Å; P1071-C1107 WeakPolarHBondContact CG-SG 3.35Å; A1103-C1107 WeakPolarHBondContact O-CB 3.47Å; A1103-C1107 PolarHBondContact O-N 3.32Å; A1104-C1107 PolarHBondContact O-N 2.91Å; L1105-C1107 VanDerWaalsContact C-N 3.31Å; L1105-C1107 PolarHBondContact O-N 2.93Å; C1107-V1109 VanDerWaalsContact C-N 3.31Å; C1107-V1109 PolarHBondContact O-N 3.24Å; C1107-D1110 PolarHBondContact O-N 3.17Å; C1107-Q1111 WeakPolarHBondContact O-CB 3.29Å; C1107-Q1111 VanDerWaalsContact O-CG 3.26Å; C1107-Q1111 WeakPolarHBondContact O-CG 3.27Å; C1107-Q1111 PolarHBondContact O-N 3.03Å |
| 1108 | L | 66.6 | Low | 60.8 | Low | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 172.1 | 174.5 | 147.7 | 0 | 0 | 0 | 111.6 | A1072 A1104 L1105 S1106 Q1111 L1112 D1158 L1159 | A1072-L1108 HydrophobicContact CB-CB 3.61Å; A1072-L1108 HydrophobicContact CB-CD1 3.27Å; A1072-L1108 HydrophobicContact CB-CG 4.03Å; A1104-L1108 PolarHBondContact O-N 3.01Å; L1105-L1108 PolarHBondContact O-N 3.1Å; S1106-L1108 PolarHBondContact O-N 2.78Å; L1108-Q1111 PolarHBondContact O-N 3.41Å; L1108-L1112 PolarHBondContact O-N 2.82Å; L1108-D1158 HydrophobicContact CD1-CB 3.46Å; L1108-D1158 VanDerWaalsContact CD1-CB 3.46Å; L1108-L1159 HydrophobicContact CD2-CB 4.14Å; L1108-L1159 HydrophobicContact CD2-CD1 3.48Å; L1108-L1159 VanDerWaalsContact CD2-CD1 3.48Å; L1108-L1159 HydrophobicContact CD2-CG 4.31Å |
| 1109 | V | 66.8 | Low | 58.7 | Low | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 178.7 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | L1105 S1106 C1107 Q1111 L1112 F1188 Q1191 I1192 Q1195 | L1105-V1109 VanDerWaalsContact O-CG2 3.3Å; L1105-V1109 WeakPolarHBondContact O-CG2 3.44Å; L1105-V1109 PolarHBondContact O-N 3.45Å; S1106-V1109 PolarHBondContact O-N 3.43Å; S1106-V1109 VanDerWaalsContact O-N 3.14Å; C1107-V1109 VanDerWaalsContact C-N 3.31Å; C1107-V1109 PolarHBondContact O-N 3.24Å; V1109-Q1111 VanDerWaalsContact C-N 3.28Å; V1109-Q1111 PolarHBondContact O-N 3.33Å; V1109-L1112 WeakPolarHBondContact O-CB 3.43Å; V1109-L1112 PolarHBondContact O-N 3.25Å; V1109-F1188 HydrophobicContact CG2-CB 4.25Å; V1109-F1188 HydrophobicContact CG2-CD1 4.19Å; V1109-Q1191 HydrophobicContact CG1-CB 3.5Å; V1109-Q1191 VanDerWaalsContact CG1-CB 3.5Å; V1109-I1192 HydrophobicContact CG1-CG1 4.28Å; V1109-I1192 HydrophobicContact CG2-CD1 4.32Å; V1109-I1192 HydrophobicContact CG2-CG1 3.71Å; V1109-Q1195 HydrophobicContact CG1-CG 4.04Å; V1109-Q1195 WeakPolarHBondContact O-CG 3.43Å |
| 1110 | D | 65.4 | Low | 56.5 | Low | 71 Ų | 71 | 62.2 Ų | 62.2 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.6 | -36.1 | 175.4 | -65 | -30.6 | 0 | 0 | 0 | 112 | S1106 C1107 L1112 G1113 | S1106-D1110 VanDerWaalsContact O-CG 3.22Å; S1106-D1110 PolarHBondContact O-N 3.47Å; C1107-D1110 PolarHBondContact O-N 3.17Å; D1110-L1112 PolarHBondContact O-N 3.18Å; D1110-G1113 WeakPolarHBondContact O-CA 3.27Å; D1110-G1113 PolarHBondContact O-N 3.23Å |
| 1111 | Q | 64.7 | Low | 54.3 | Low | 25 Ų | 25 | 63.3 Ų | 63.3 | 12% | 0.117 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.3 | -30 | 177.5 | -76.9 | 176 | -10.2 | 0 | 0 | 114.1 | H1068 C1107 L1108 V1109 G1113 G1114 I1151 A1155 | H1068-Q1111 PolarHBondContact CE1-OE1 3.43Å; C1107-Q1111 WeakPolarHBondContact O-CB 3.29Å; C1107-Q1111 VanDerWaalsContact O-CG 3.26Å; C1107-Q1111 WeakPolarHBondContact O-CG 3.27Å; C1107-Q1111 PolarHBondContact O-N 3.03Å; L1108-Q1111 PolarHBondContact O-N 3.41Å; V1109-Q1111 VanDerWaalsContact C-N 3.28Å; V1109-Q1111 PolarHBondContact O-N 3.33Å; Q1111-G1113 PolarHBondContact O-N 2.99Å; Q1111-G1114 PolarHBondContact O-N 3.13Å; Q1111-I1151 HydrophobicContact CB-CG2 4.15Å; Q1111-I1151 HydrophobicContact CG-CG2 4.29Å; Q1111-A1155 HydrophobicContact CB-CB 4.1Å |
| 1112 | L | 64 | Low | 52.2 | Low | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.3 | -29.9 | 170.5 | -65.9 | 163.6 | 0 | 0 | 0 | 111.3 | L1108 V1109 D1110 A1155 L1156 L1159 Q1195 | L1108-L1112 PolarHBondContact O-N 2.82Å; V1109-L1112 WeakPolarHBondContact O-CB 3.43Å; V1109-L1112 PolarHBondContact O-N 3.25Å; D1110-L1112 PolarHBondContact O-N 3.18Å; L1112-A1155 HydrophobicContact CD2-CB 3.85Å; L1112-A1155 HydrophobicContact CG-CB 4.19Å; L1112-L1156 HydrophobicContact CD2-CD2 3.98Å; L1112-L1156 HydrophobicContact CD2-CG 4.26Å; L1112-L1159 HydrophobicContact CD1-CD1 3.64Å; L1112-Q1195 HydrophobicContact CB-CB 3.68Å; L1112-Q1195 HydrophobicContact CB-CG 4.43Å; L1112-Q1195 HydrophobicContact CD1-CB 4.35Å |
| 1113 | G | 59.1 | Low | 50.2 | Low | 8 Ų | 8 | 76 Ų | 76 | 8% | 0.082 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -9.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D1110 Q1111 R1202 | D1110-G1113 WeakPolarHBondContact O-CA 3.27Å; D1110-G1113 PolarHBondContact O-N 3.23Å; Q1111-G1113 PolarHBondContact O-N 2.99Å; G1113-R1202 PolarHBondContact O-NH1 3.27Å; G1113-R1202 PolarHBondContact O-NH2 3.43Å |
| 1114 | G | 56.4 | Low | 48.1 | Very low | 6 Ų | 6 | 82.3 Ų | 82.3 | 6% | 0.062 | 44% | 0.439 | C | S | . | . | trans | 51.2 | 112.9 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q1111 V1116 R1202 | Q1111-G1114 PolarHBondContact O-N 3.13Å; G1114-V1116 PolarHBondContact O-N 3.26Å; G1114-R1202 PolarHBondContact O-NH1 2.93Å | ||
| 1115 | F | 35.3 | Very low | 46.4 | Very low | 166 Ų | 166 | 89.5 Ų | 89.5 | 73% | 0.728 | 48% | 0.476 | S | S | * | . | trans | -51.8 | 117.9 | 177 | -84.7 | -92.8 | 0 | 0 | 0 | 112.2 | ||||
| 1116 | V | 34.4 | Very low | 44.3 | Very low | 110 Ų | 110 | 100.4 Ų | 100.4 | 67% | 0.667 | 52% | 0.517 | S | S | * | . | trans | -131 | 116.6 | 154.6 | -179.4 | 0 | 0 | 0 | 0 | 105.1 | G1114 | G1114-V1116 PolarHBondContact O-N 3.26Š| ||
| 1117 | S | 27.4 | Very low | 42.4 | Very low | 91 Ų | 91 | 102.8 Ų | 102.8 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | trans | -63.4 | 129.8 | 172.8 | -32 | 0 | 0 | 0 | 0 | 108.5 | D1119 | S1117-D1119 PolarHBondContact O-N 3.37Š| ||
| 1118 | D | 27.6 | Very low | 40.8 | Very low | 150 Ų | 150 | 107 Ų | 107 | 80% | 0.802 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -66.9 | 26.8 | 178 | -80.6 | -35.4 | 0 | 0 | 0 | 114.4 | E1120 | D1118-E1120 VanDerWaalsContact C-N 3.32Å; D1118-E1120 PolarHBondContact O-N 2.83Å |
| 1119 | D | 29.1 | Very low | 38.9 | Very low | 150 Ų | 150 | 112.1 Ų | 112.1 | 80% | 0.802 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 9.1 | -173.8 | -77.6 | -26.5 | 0 | 0 | 0 | 114.5 | S1117 | S1117-D1119 PolarHBondContact O-N 3.37Š|
| 1120 | E | 28.1 | Very low | 37 | Very low | 193 Ų | 193 | 118.1 Ų | 118.1 | 90% | 0.902 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 6.5 | 174.7 | -83.3 | -169.7 | 164.1 | 0 | 0 | 115.3 | D1118 | D1118-E1120 VanDerWaalsContact C-N 3.32Å; D1118-E1120 PolarHBondContact O-N 2.83Å |
| 1121 | V | 28.8 | Very low | 35 | Very low | 126 Ų | 126 | 123 Ų | 123 | 76% | 0.764 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -103.7 | 15.7 | -176.1 | -166.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1122 | Q | 26.8 | Very low | 33.3 | Very low | 182 Ų | 182 | 128.7 Ų | 128.7 | 85% | 0.85 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -128.6 | 67.9 | 175.3 | -68.1 | -168 | 4.1 | 0 | 0 | 113.5 | ||
| 1123 | D | 28.3 | Very low | 31.3 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 73% | 0.726 | S | S | * | * | trans | -156.1 | 38 | 152.9 | -118.8 | -14.6 | 0 | 0 | 0 | 114.7 | N1125 | D1123-N1125 VanDerWaalsContact C-N 3.28Å; D1123-N1125 PolarHBondContact O-N 2.85Å | ||
| 1124 | E | 29.2 | Very low | 29.7 | Very low | 193 Ų | 193 | 141.8 Ų | 141.8 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -87.8 | 59.2 | 164.4 | -77.3 | -157.3 | 155.2 | 0 | 0 | 111.5 | ||||
| 1125 | N | 30.4 | Very low | 28.1 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -149.1 | 46.3 | 169.4 | -92.8 | -39 | 0 | 0 | 0 | 113.2 | D1123 | D1123-N1125 VanDerWaalsContact C-N 3.28Å; D1123-N1125 PolarHBondContact O-N 2.85Å | ||
| 1126 | R | 26.2 | Very low | 27.6 | Very low | 239 Ų | 239 | 147.4 Ų | 147.4 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -128.6 | 105.7 | 166.5 | -145.9 | 169.8 | -166.9 | 172.9 | 3.4 | 112.6 | ||||
| 1127 | A | 28.6 | Very low | 27.2 | Very low | 87 Ų | 87 | 150.1 Ų | 150.1 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | trans | -54.5 | 149.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1129 | A1127-S1129 PolarHBondContact O-N 3.18Š| ||
| 1128 | P | 34.2 | Very low | 27.2 | Very low | 129 Ų | 129 | 151 Ų | 151 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -84 | 109.1 | -164.5 | 33.1 | -31.5 | 0 | 0 | 0 | 110.6 | ||||
| 1129 | S | 26.4 | Very low | 27.1 | Very low | 113 Ų | 113 | 151 Ų | 151 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -97.7 | 106.4 | 163.7 | 57 | 0 | 0 | 0 | 0 | 109.5 | A1127 | A1127-S1129 PolarHBondContact O-N 3.18Š| ||
| 1130 | T | 25.9 | Very low | 27.2 | Very low | 128 Ų | 128 | 152.1 Ų | 152.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -44.4 | 124.7 | 160.9 | 39.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1131 | E | 25.1 | Very low | 27.4 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | 163.4 | 138.8 | 126 | -89.7 | 176.9 | 179.3 | 0 | 0 | 111.9 | |||||
| 1132 | N | 27.4 | Very low | 27.6 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 75.1 | 83.3 | 166 | -61.4 | -24.3 | 0 | 0 | 0 | 118.6 | H1134 | N1132-H1134 PolarHBondContact O-N 3.5Š| ||
| 1133 | C | 22.9 | Very low | 27.8 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | -56.4 | 94.1 | 160.3 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1134 | H | 25 | Very low | 28 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | trans | -107.6 | 104.7 | 149.6 | -81.1 | -48.2 | 0 | 0 | 0 | 107.2 | N1132 V1136 | N1132-H1134 PolarHBondContact O-N 3.5Å; H1134-V1136 VanDerWaalsContact C-N 3.33Å; H1134-V1136 PolarHBondContact O-N 2.85Å | ||
| 1135 | Q | 23.9 | Very low | 28.3 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -59.2 | 92 | 174.5 | -74.9 | 172.4 | -31.7 | 0 | 0 | 109.6 | ||||
| 1136 | V | 24.7 | Very low | 28.5 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | -84.6 | 105.5 | 158.2 | 178.7 | 0 | 0 | 0 | 0 | 105.2 | H1134 T1138 | H1134-V1136 VanDerWaalsContact C-N 3.33Å; H1134-V1136 PolarHBondContact O-N 2.85Å; V1136-T1138 PolarHBondContact O-N 3.14Å | ||
| 1137 | H | 24.8 | Very low | 28.9 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | -56.9 | 104.9 | 165.4 | -89.2 | -77.6 | 0 | 0 | 0 | 108 | D1139 | H1137-D1139 PolarHBondContact O-N 3.47Š| ||
| 1138 | T | 27.2 | Very low | 29.5 | Very low | 110 Ų | 110 | 128 Ų | 128 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | trans | -73.6 | 97.4 | 161 | 43.5 | 0 | 0 | 0 | 0 | 106.8 | V1136 E1140 | V1136-T1138 PolarHBondContact O-N 3.14Å; T1138-E1140 VanDerWaalsContact C-N 3.26Å; T1138-E1140 PolarHBondContact O-N 3.11Å | ||
| 1139 | D | 26 | Very low | 30.3 | Very low | 149 Ų | 149 | 123.3 Ų | 123.3 | 80% | 0.797 | 65% | 0.651 | S | S | * | * | trans | -61.2 | 92.6 | 161.1 | -88.4 | -30.7 | 0 | 0 | 0 | 107.4 | H1137 N1141 | H1137-D1139 PolarHBondContact O-N 3.47Å; D1139-N1141 VanDerWaalsContact C-N 3.32Å; D1139-N1141 PolarHBondContact O-N 2.91Å | ||
| 1140 | E | 30.3 | Very low | 31.4 | Very low | 173 Ų | 173 | 121.8 Ų | 121.8 | 81% | 0.808 | 63% | 0.634 | S | S | * | * | trans | -70 | 90.9 | 170.8 | -74.9 | -179.1 | 177.2 | 0 | 0 | 109.4 | T1138 E1142 | T1138-E1140 VanDerWaalsContact C-N 3.26Å; T1138-E1140 PolarHBondContact O-N 3.11Å; E1140-E1142 PolarHBondContact O-N 3.43Å | ||
| 1141 | N | 33.2 | Very low | 32.8 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 56% | 0.561 | 61% | 0.611 | S | S | * | * | trans | 27.6 | 76.5 | 150.2 | -62.8 | -11.3 | 0 | 0 | 0 | 117.9 | D1139 D1143 D1144 | D1139-N1141 VanDerWaalsContact C-N 3.32Å; D1139-N1141 PolarHBondContact O-N 2.91Å; N1141-D1143 PolarHBondContact O-N 3.4Å; N1141-D1144 HydrophobicContact CB-CB 4.45Å; N1141-D1144 WeakPolarHBondContact CB-OD2 3.39Å; N1141-D1144 PolarHBondContact ND2-OD2 3.21Å; N1141-D1144 VanDerWaalsContact ND2-OD2 3.12Å | ||
| 1142 | E | 32 | Very low | 34.4 | Very low | 174 Ų | 174 | 110.6 Ų | 110.6 | 81% | 0.813 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.6 | -25 | 158.8 | -76.3 | -169.8 | 146.9 | 0 | 0 | 112.6 | E1140 D1144 R1145 | E1140-E1142 PolarHBondContact O-N 3.43Å; E1142-D1144 PolarHBondContact O-N 2.89Å; E1142-R1145 PolarHBondContact O-N 3.44Å |
| 1143 | D | 31.4 | Very low | 35.8 | Very low | 105 Ų | 105 | 105.8 Ų | 105.8 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.1 | -37.3 | -177.8 | -85.8 | -18.3 | 0 | 0 | 0 | 112.1 | R1060 N1141 S1146 G1147 | R1060-D1143 IonicContact NH2-OD2 2.78Å; N1141-D1143 PolarHBondContact O-N 3.4Å; D1143-S1146 PolarHBondContact O-N 3.39Å; D1143-S1146 PolarHBondContact O-OG 3.02Å; D1143-G1147 PolarHBondContact O-N 3.35Å |
| 1144 | D | 32.7 | Very low | 37.3 | Very low | 110 Ų | 110 | 101.2 Ų | 101.2 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71 | -33.9 | -178.4 | -71.3 | -34.3 | 0 | 0 | 0 | 112.7 | N1141 E1142 S1146 G1147 F1148 | N1141-D1144 HydrophobicContact CB-CB 4.45Å; N1141-D1144 WeakPolarHBondContact CB-OD2 3.39Å; N1141-D1144 PolarHBondContact ND2-OD2 3.21Å; N1141-D1144 VanDerWaalsContact ND2-OD2 3.12Å; E1142-D1144 PolarHBondContact O-N 2.89Å; D1144-S1146 VanDerWaalsContact C-N 3.29Å; D1144-S1146 PolarHBondContact O-N 3.01Å; D1144-G1147 PolarHBondContact O-N 3.32Å; D1144-F1148 PolarHBondContact O-N 3.01Å; D1144-F1148 VanDerWaalsContact O-N 3.11Å |
| 1145 | R | 35.3 | Very low | 39.1 | Very low | 184 Ų | 184 | 93 Ų | 93 | 69% | 0.694 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.9 | -32.3 | 175.6 | -80.9 | -176.3 | -178.1 | 176.3 | 3.8 | 112.5 | E1142 N1149 | E1142-R1145 PolarHBondContact O-N 3.44Å; R1145-N1149 PolarHBondContact O-N 3.24Å; R1145-N1149 PolarHBondContact O-ND2 3.16Å; R1145-N1149 VanDerWaalsContact O-ND2 3.13Å |
| 1146 | S | 34.2 | Very low | 40.8 | Very low | 63 Ų | 63 | 85.1 Ų | 85.1 | 44% | 0.441 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.7 | -39.6 | 178.2 | 80.2 | 0 | 0 | 0 | 0 | 111.9 | D1143 D1144 N1149 N1150 | D1143-S1146 PolarHBondContact O-N 3.39Å; D1143-S1146 PolarHBondContact O-OG 3.02Å; D1144-S1146 VanDerWaalsContact C-N 3.29Å; D1144-S1146 PolarHBondContact O-N 3.01Å; S1146-N1149 PolarHBondContact O-N 3.43Å; S1146-N1150 PolarHBondContact O-N 3.34Å; S1146-N1150 PolarHBondContact O-ND2 3.11Å |
| 1147 | G | 35.3 | Very low | 42.3 | Very low | 32 Ų | 32 | 81.1 Ų | 81.1 | 33% | 0.33 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1143 D1144 N1149 N1150 I1151 | D1143-G1147 PolarHBondContact O-N 3.35Å; D1144-G1147 PolarHBondContact O-N 3.32Å; G1147-N1149 PolarHBondContact O-N 3.38Å; G1147-N1150 PolarHBondContact O-N 3.19Å; G1147-I1151 PolarHBondContact O-N 3.07Å; G1147-I1151 VanDerWaalsContact O-N 3.15Å |
| 1148 | F | 40.9 | Very low | 44 | Very low | 54 Ų | 54 | 74.3 Ų | 74.3 | 24% | 0.237 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -54.9 | -48.5 | 175.2 | -176.9 | -90.6 | 0 | 0 | 0 | 112.3 | D1144 N1150 I1151 V1152 | D1144-F1148 PolarHBondContact O-N 3.01Å; D1144-F1148 VanDerWaalsContact O-N 3.11Å; F1148-N1150 VanDerWaalsContact C-N 3.31Å; F1148-N1150 PolarHBondContact O-N 2.88Å; F1148-I1151 PolarHBondContact O-N 3.49Å; F1148-V1152 HydrophobicContact CD1-CG2 4.25Å; F1148-V1152 HydrophobicContact CE1-CG2 3.8Å; F1148-V1152 HydrophobicContact CE2-CG2 4.39Å; F1148-V1152 HydrophobicContact CZ-CG2 3.85Å; F1148-V1152 WeakPolarHBondContact O-CG2 3.19Å; F1148-V1152 PolarHBondContact O-N 3.01Å; F1148-V1152 VanDerWaalsContact O-N 3.11Å |
| 1149 | N | 51.8 | Low | 45.5 | Very low | 29 Ų | 29 | 69.2 Ų | 69.2 | 16% | 0.155 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63 | -35.7 | -179.1 | -74.9 | -35 | 0 | 0 | 0 | 112.8 | R1145 S1146 G1147 H1153 | R1145-N1149 PolarHBondContact O-N 3.24Å; R1145-N1149 PolarHBondContact O-ND2 3.16Å; R1145-N1149 VanDerWaalsContact O-ND2 3.13Å; S1146-N1149 PolarHBondContact O-N 3.43Å; G1147-N1149 PolarHBondContact O-N 3.38Å; N1149-H1153 WeakPolarHBondContact O-CB 3.27Å; N1149-H1153 PolarHBondContact O-N 3.42Å |
| 1150 | N | 50.3 | Low | 46.8 | Very low | 81 Ų | 81 | 64.8 Ų | 64.8 | 43% | 0.433 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.4 | -37.7 | -179.9 | -71.8 | -35.2 | 0 | 0 | 0 | 112.9 | S1146 G1147 F1148 G1154 | S1146-N1150 PolarHBondContact O-N 3.34Å; S1146-N1150 PolarHBondContact O-ND2 3.11Å; G1147-N1150 PolarHBondContact O-N 3.19Å; F1148-N1150 VanDerWaalsContact C-N 3.31Å; F1148-N1150 PolarHBondContact O-N 2.88Å; N1150-G1154 PolarHBondContact O-N 3.47Å |
| 1151 | I | 54.5 | Low | 47.9 | Very low | 58 Ų | 58 | 58.7 Ų | 58.7 | 30% | 0.297 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.6 | -51 | 176 | -69.8 | 163 | 0 | 0 | 0 | 109.7 | Q1111 G1147 F1148 H1153 G1154 A1155 | Q1111-I1151 HydrophobicContact CB-CG2 4.15Å; Q1111-I1151 HydrophobicContact CG-CG2 4.29Å; G1147-I1151 PolarHBondContact O-N 3.07Å; G1147-I1151 VanDerWaalsContact O-N 3.15Å; F1148-I1151 PolarHBondContact O-N 3.49Å; I1151-H1153 VanDerWaalsContact C-N 3.33Å; I1151-H1153 PolarHBondContact O-N 2.94Å; I1151-G1154 PolarHBondContact O-N 3.4Å; I1151-A1155 WeakPolarHBondContact O-CB 3.08Å; I1151-A1155 PolarHBondContact O-N 2.94Å |
| 1152 | V | 58.5 | Low | 48.9 | Very low | 9 Ų | 9 | 55.1 Ų | 55.1 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | 178.8 | 173.9 | 0 | 0 | 0 | 0 | 111 | F1148 A1155 L1156 L1199 | F1148-V1152 HydrophobicContact CD1-CG2 4.25Å; F1148-V1152 HydrophobicContact CE1-CG2 3.8Å; F1148-V1152 HydrophobicContact CE2-CG2 4.39Å; F1148-V1152 HydrophobicContact CZ-CG2 3.85Å; F1148-V1152 WeakPolarHBondContact O-CG2 3.19Å; F1148-V1152 PolarHBondContact O-N 3.01Å; F1148-V1152 VanDerWaalsContact O-N 3.11Å; V1152-A1155 PolarHBondContact O-N 3.36Å; V1152-L1156 HydrophobicContact CG1-CD1 4.06Å; V1152-L1156 HydrophobicContact CG1-CG 4.43Å; V1152-L1156 WeakPolarHBondContact O-CB 3.5Å; V1152-L1156 WeakPolarHBondContact O-CG 3.32Å; V1152-L1156 PolarHBondContact O-N 2.82Å; V1152-L1199 HydrophobicContact CG1-CD1 3.65Å; V1152-L1199 HydrophobicContact CG1-CD2 3.72Å; V1152-L1199 HydrophobicContact CG1-CG 4.36Å |
| 1153 | H | 56 | Low | 49.9 | Very low | 44 Ų | 44 | 47.2 Ų | 47.2 | 20% | 0.204 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 175.1 | -180 | 48 | 0 | 0 | 0 | 112.3 | N1149 I1151 L1156 I1157 I1214 | N1149-H1153 WeakPolarHBondContact O-CB 3.27Å; N1149-H1153 PolarHBondContact O-N 3.42Å; I1151-H1153 VanDerWaalsContact C-N 3.33Å; I1151-H1153 PolarHBondContact O-N 2.94Å; H1153-L1156 PolarHBondContact O-N 3.36Å; H1153-I1157 WeakPolarHBondContact CE1-CD1 3.31Å; H1153-I1157 VanDerWaalsContact NE2-CD1 3.35Å; H1153-I1157 WeakPolarHBondContact NE2-CD1 3.19Å; H1153-I1157 WeakPolarHBondContact O-CG1 3.47Å; H1153-I1157 PolarHBondContact O-N 3.47Å; H1153-I1214 HydrophobicContact CB-CD1 4.14Å; H1153-I1214 HydrophobicContact CB-CG2 3.92Å; H1153-I1214 WeakPolarHBondContact ND1-CG2 3.21Å |
| 1154 | G | 56.2 | Low | 50.5 | Low | 15 Ų | 15 | 46.9 Ų | 46.9 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -49.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1150 I1151 L1156 I1157 D1158 | N1150-G1154 PolarHBondContact O-N 3.47Å; I1151-G1154 PolarHBondContact O-N 3.4Å; G1154-L1156 PolarHBondContact O-N 3.47Å; G1154-I1157 PolarHBondContact O-N 2.92Å; G1154-D1158 WeakPolarHBondContact O-CB 3.47Å; G1154-D1158 PolarHBondContact O-N 3.4Å; G1154-D1158 VanDerWaalsContact O-OD2 3.04Å |
| 1155 | A | 61.1 | Low | 50.9 | Low | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1111 L1112 I1151 V1152 D1158 L1159 | Q1111-A1155 HydrophobicContact CB-CB 4.1Å; L1112-A1155 HydrophobicContact CD2-CB 3.85Å; L1112-A1155 HydrophobicContact CG-CB 4.19Å; I1151-A1155 WeakPolarHBondContact O-CB 3.08Å; I1151-A1155 PolarHBondContact O-N 2.94Å; V1152-A1155 PolarHBondContact O-N 3.36Å; A1155-D1158 PolarHBondContact O-N 3.04Å; A1155-L1159 WeakPolarHBondContact O-CB 3.49Å; A1155-L1159 PolarHBondContact O-N 3.06Å |
| 1156 | L | 60.6 | Low | 51.1 | Low | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 175.8 | -74.3 | 170 | 0 | 0 | 0 | 112.2 | L1112 V1152 H1153 G1154 L1159 E1160 L1196 L1199 F1215 L1222 | L1112-L1156 HydrophobicContact CD2-CD2 3.98Å; L1112-L1156 HydrophobicContact CD2-CG 4.26Å; V1152-L1156 HydrophobicContact CG1-CD1 4.06Å; V1152-L1156 HydrophobicContact CG1-CG 4.43Å; V1152-L1156 WeakPolarHBondContact O-CB 3.5Å; V1152-L1156 WeakPolarHBondContact O-CG 3.32Å; V1152-L1156 PolarHBondContact O-N 2.82Å; H1153-L1156 PolarHBondContact O-N 3.36Å; G1154-L1156 PolarHBondContact O-N 3.47Å; L1156-L1159 PolarHBondContact O-N 3.15Å; L1156-E1160 WeakPolarHBondContact O-CB 3.4Å; L1156-E1160 PolarHBondContact O-N 3.21Å; L1156-L1196 HydrophobicContact CD2-CD2 4.29Å; L1156-L1199 HydrophobicContact CD1-CD2 4.19Å; L1156-L1199 HydrophobicContact CD2-CD2 4.33Å; L1156-F1215 HydrophobicContact CD1-CD2 3.99Å; L1156-F1215 HydrophobicContact CD2-CD2 4.47Å; L1156-L1222 HydrophobicContact CD2-CD1 4.43Å |
| 1157 | I | 56.9 | Low | 51.1 | Low | 37 Ų | 37 | 35.7 Ų | 35.7 | 19% | 0.19 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -42.9 | 176.1 | -70.4 | 168.1 | 0 | 0 | 0 | 111.1 | H1153 G1154 L1159 E1160 F1161 | H1153-I1157 WeakPolarHBondContact CE1-CD1 3.31Å; H1153-I1157 VanDerWaalsContact NE2-CD1 3.35Å; H1153-I1157 WeakPolarHBondContact NE2-CD1 3.19Å; H1153-I1157 WeakPolarHBondContact O-CG1 3.47Å; H1153-I1157 PolarHBondContact O-N 3.47Å; G1154-I1157 PolarHBondContact O-N 2.92Å; I1157-L1159 VanDerWaalsContact C-N 3.33Å; I1157-E1160 WeakPolarHBondContact O-CB 3.38Å; I1157-E1160 PolarHBondContact O-N 3.45Å; I1157-F1161 PolarHBondContact O-N 2.88Å |
| 1158 | D | 59.7 | Low | 51 | Low | 24 Ų | 24 | 37.1 Ų | 37.1 | 13% | 0.128 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.2 | -35.8 | -179.2 | -67.9 | -40.1 | 0 | 0 | 0 | 111.3 | S1070 L1108 G1154 A1155 F1161 A1162 | S1070-D1158 WeakPolarHBondContact CB-OD2 3.24Å; S1070-D1158 PolarHBondContact OG-OD2 3.29Å; L1108-D1158 HydrophobicContact CD1-CB 3.46Å; L1108-D1158 VanDerWaalsContact CD1-CB 3.46Å; G1154-D1158 WeakPolarHBondContact O-CB 3.47Å; G1154-D1158 PolarHBondContact O-N 3.4Å; G1154-D1158 VanDerWaalsContact O-OD2 3.04Å; A1155-D1158 PolarHBondContact O-N 3.04Å; D1158-F1161 PolarHBondContact O-N 3.03Å; D1158-A1162 WeakPolarHBondContact O-CB 3.33Å; D1158-A1162 PolarHBondContact O-N 3.25Å |
| 1159 | L | 59.3 | Low | 50.5 | Low | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.2 | -47.2 | 173.7 | -166.6 | 122.4 | 0 | 0 | 0 | 110.4 | L1108 L1112 A1155 L1156 I1157 F1161 A1162 F1163 I1192 L1222 I1225 | L1108-L1159 HydrophobicContact CD2-CB 4.14Å; L1108-L1159 HydrophobicContact CD2-CD1 3.48Å; L1108-L1159 VanDerWaalsContact CD2-CD1 3.48Å; L1108-L1159 HydrophobicContact CD2-CG 4.31Å; L1112-L1159 HydrophobicContact CD1-CD1 3.64Å; A1155-L1159 WeakPolarHBondContact O-CB 3.49Å; A1155-L1159 PolarHBondContact O-N 3.06Å; L1156-L1159 PolarHBondContact O-N 3.15Å; I1157-L1159 VanDerWaalsContact C-N 3.33Å; L1159-F1161 VanDerWaalsContact C-N 3.29Å; L1159-F1161 PolarHBondContact O-N 3.21Å; L1159-A1162 PolarHBondContact O-N 3.22Å; L1159-F1163 HydrophobicContact CD1-CE2 4.1Å; L1159-F1163 HydrophobicContact CD2-CD2 3.91Å; L1159-F1163 HydrophobicContact CD2-CE2 3.75Å; L1159-F1163 HydrophobicContact CG-CD2 3.81Å; L1159-F1163 HydrophobicContact CG-CE2 3.58Å; L1159-F1163 WeakPolarHBondContact O-CD2 3.29Å; L1159-F1163 PolarHBondContact O-N 3.34Å; L1159-I1192 HydrophobicContact CD1-CD1 4.26Å; L1159-I1192 HydrophobicContact CD1-CG1 4.3Å; L1159-I1192 HydrophobicContact CD1-CG2 4.45Å; L1159-L1222 HydrophobicContact CD2-CD2 4.1Å; L1159-I1225 HydrophobicContact CD2-CD1 3.34Å |
| 1160 | E | 53.5 | Low | 49.4 | Very low | 55 Ų | 55 | 41.5 Ų | 41.5 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -50.6 | -49.3 | 169.3 | 172.1 | -169.6 | 161.9 | 0 | 0 | 110.9 | L1156 I1157 A1162 F1163 F1164 E1221 | L1156-E1160 WeakPolarHBondContact O-CB 3.4Å; L1156-E1160 PolarHBondContact O-N 3.21Å; I1157-E1160 WeakPolarHBondContact O-CB 3.38Å; I1157-E1160 PolarHBondContact O-N 3.45Å; E1160-A1162 PolarHBondContact O-N 3.02Å; E1160-F1163 PolarHBondContact O-N 3.13Å; E1160-F1164 WeakPolarHBondContact O-CB 3.29Å; E1160-F1164 PolarHBondContact O-N 3.23Å; E1160-E1221 HydrophobicContact CG-CB 3.85Å; E1160-E1221 HydrophobicContact CG-CG 4.1Å |
| 1161 | F | 52.7 | Low | 48.4 | Very low | 46 Ų | 46 | 46.2 Ų | 46.2 | 20% | 0.202 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -45.7 | -179.7 | -170.3 | -76.8 | 0 | 0 | 0 | 112.3 | F988 P1074 I1157 D1158 L1159 F1163 K1165 | F988-F1161 HydrophobicContact CE1-CE2 4.36Å; P1074-F1161 HydrophobicContact CB-CD1 4.21Å; P1074-F1161 HydrophobicContact CB-CE1 3.6Å; P1074-F1161 HydrophobicContact CB-CE2 4.45Å; P1074-F1161 HydrophobicContact CB-CZ 3.73Å; P1074-F1161 HydrophobicContact CG-CD1 3.55Å; P1074-F1161 HydrophobicContact CG-CD2 4.02Å; P1074-F1161 HydrophobicContact CG-CE1 3.41Å; P1074-F1161 VanDerWaalsContact CG-CE1 3.41Å; P1074-F1161 HydrophobicContact CG-CE2 3.84Å; P1074-F1161 HydrophobicContact CG-CG 3.88Å; P1074-F1161 HydrophobicContact CG-CZ 3.56Å; I1157-F1161 PolarHBondContact O-N 2.88Å; D1158-F1161 PolarHBondContact O-N 3.03Å; L1159-F1161 VanDerWaalsContact C-N 3.29Å; L1159-F1161 PolarHBondContact O-N 3.21Å; F1161-F1163 PolarHBondContact O-N 3.03Å; F1161-K1165 HydrophobicContact CD1-CB 4.38Å; F1161-K1165 HydrophobicContact CD2-CD 3.79Å; F1161-K1165 HydrophobicContact CE1-CB 4.22Å; F1161-K1165 HydrophobicContact CE1-CD 4.2Å; F1161-K1165 HydrophobicContact CE2-CD 3.3Å; F1161-K1165 HydrophobicContact CG-CD 4.46Å; F1161-K1165 HydrophobicContact CZ-CB 4.34Å; F1161-K1165 HydrophobicContact CZ-CD 3.52Å; F1161-K1165 PolarHBondContact O-N 3.33Å; F1161-K1165 VanDerWaalsContact O-N 3.14Å |
| 1162 | A | 54.4 | Low | 47.1 | Very low | 29 Ų | 29 | 49.6 Ų | 49.6 | 24% | 0.24 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.5 | -34.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1158 L1159 E1160 | D1158-A1162 WeakPolarHBondContact O-CB 3.33Å; D1158-A1162 PolarHBondContact O-N 3.25Å; L1159-A1162 PolarHBondContact O-N 3.22Å; E1160-A1162 PolarHBondContact O-N 3.02Å |
| 1163 | F | 52 | Low | 45.5 | Very low | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.035 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -88.5 | -43.3 | 179.8 | -75.6 | -69.3 | 0 | 0 | 0 | 114.2 | L1159 E1160 F1161 L1185 M1189 I1192 I1225 R1228 L1231 | L1159-F1163 HydrophobicContact CD1-CE2 4.1Å; L1159-F1163 HydrophobicContact CD2-CD2 3.91Å; L1159-F1163 HydrophobicContact CD2-CE2 3.75Å; L1159-F1163 HydrophobicContact CG-CD2 3.81Å; L1159-F1163 HydrophobicContact CG-CE2 3.58Å; L1159-F1163 WeakPolarHBondContact O-CD2 3.29Å; L1159-F1163 PolarHBondContact O-N 3.34Å; E1160-F1163 PolarHBondContact O-N 3.13Å; F1161-F1163 PolarHBondContact O-N 3.03Å; F1163-L1185 HydrophobicContact CD1-CD1 3.52Å; F1163-L1185 HydrophobicContact CE1-CB 4.07Å; F1163-L1185 HydrophobicContact CE1-CD1 3.21Å; F1163-L1185 HydrophobicContact CE1-CD2 4.18Å; F1163-L1185 HydrophobicContact CE1-CG 3.99Å; F1163-L1185 HydrophobicContact CG-CD1 4.36Å; F1163-L1185 HydrophobicContact CZ-CB 4.34Å; F1163-L1185 HydrophobicContact CZ-CD1 3.82Å; F1163-L1185 HydrophobicContact CZ-CD2 3.91Å; F1163-L1185 HydrophobicContact CZ-CG 4.22Å; F1163-M1189 HydrophobicContact CZ-SD 4.43Å; F1163-I1192 HydrophobicContact CE2-CD1 4.3Å; F1163-I1192 HydrophobicContact CZ-CD1 4.01Å; F1163-I1225 HydrophobicContact CB-CG1 4.17Å; F1163-I1225 HydrophobicContact CD1-CG1 4.28Å; F1163-I1225 HydrophobicContact CD1-CG2 4.4Å; F1163-I1225 HydrophobicContact CD2-CD1 3.51Å; F1163-I1225 HydrophobicContact CD2-CG1 3.6Å; F1163-I1225 HydrophobicContact CE1-CG2 4.04Å; F1163-I1225 HydrophobicContact CE2-CD1 3.67Å; F1163-I1225 HydrophobicContact CE2-CG1 4.02Å; F1163-I1225 HydrophobicContact CE2-CG2 4.21Å; F1163-I1225 HydrophobicContact CG-CD1 4.23Å; F1163-I1225 HydrophobicContact CG-CG1 3.78Å; F1163-I1225 HydrophobicContact CZ-CD1 4.44Å; F1163-I1225 HydrophobicContact CZ-CG2 3.97Å; F1163-R1228 PolarHBondContact O-NH2 3.36Å; F1163-L1231 HydrophobicContact CD1-CD1 4.12Å; F1163-L1231 HydrophobicContact CE1-CD1 3.63Å |
| 1164 | F | 44.4 | Very low | 44.1 | Very low | 98 Ų | 98 | 57.1 Ų | 57.1 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -80.3 | -37.3 | -170.7 | -155.3 | -89.3 | 0 | 0 | 0 | 112.3 | E1160 C1224 | E1160-F1164 WeakPolarHBondContact O-CB 3.29Å; E1160-F1164 PolarHBondContact O-N 3.23Å; F1164-C1224 HydrophobicContact CD2-CB 4.42Å |
| 1165 | K | 41 | Very low | 42.8 | Very low | 19 Ų | 19 | 60.2 Ų | 60.2 | 8% | 0.083 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -90.9 | -1.4 | -171.9 | -101.4 | 179.3 | 177.7 | 178.6 | 0 | 115.7 | G949 F1161 D1167 C1168 F1169 | G949-K1165 WeakPolarHBondContact O-CE 3.19Å; G949-K1165 PolarHBondContact O-NZ 3.38Å; F1161-K1165 HydrophobicContact CD1-CB 4.38Å; F1161-K1165 HydrophobicContact CD2-CD 3.79Å; F1161-K1165 HydrophobicContact CE1-CB 4.22Å; F1161-K1165 HydrophobicContact CE1-CD 4.2Å; F1161-K1165 HydrophobicContact CE2-CD 3.3Å; F1161-K1165 HydrophobicContact CG-CD 4.46Å; F1161-K1165 HydrophobicContact CZ-CB 4.34Å; F1161-K1165 HydrophobicContact CZ-CD 3.52Å; F1161-K1165 PolarHBondContact O-N 3.33Å; F1161-K1165 VanDerWaalsContact O-N 3.14Å; K1165-D1167 PolarHBondContact O-N 2.96Å; K1165-C1168 HydrophobicContact CG-CB 4.06Å; K1165-F1169 VanDerWaalsContact O-CB 3.29Å; K1165-F1169 WeakPolarHBondContact O-CB 3.41Å; K1165-F1169 PolarHBondContact O-N 3.02Å |
| 1166 | S | 40 | Very low | 41.4 | Very low | 22 Ų | 22 | 67.7 Ų | 67.7 | 15% | 0.154 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.5 | -33.4 | 162.9 | 77.6 | 0 | 0 | 0 | 0 | 111 | F1170 R1228 | S1166-F1170 PolarHBondContact O-N 2.96Å; S1166-R1228 PolarHBondContact OG-NH1 3.34Å; S1166-R1228 PolarHBondContact OG-NH2 3.37Å |
| 1167 | D | 34.6 | Very low | 39.9 | Very low | 81 Ų | 81 | 69.3 Ų | 69.3 | 43% | 0.433 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -91.5 | -38 | -174.7 | -67.7 | 6.9 | 0 | 0 | 0 | 112.7 | K1165 F1169 F1170 Y1171 R1228 | K1165-D1167 PolarHBondContact O-N 2.96Å; D1167-F1169 VanDerWaalsContact C-N 3.34Å; D1167-F1170 CarbonylContact O-C 3.58Å; D1167-F1170 WeakPolarHBondContact O-CA 3.43Å; D1167-F1170 WeakPolarHBondContact O-CB 3.49Å; D1167-F1170 PolarHBondContact O-N 3.3Å; D1167-Y1171 PolarHBondContact O-N 2.99Å; D1167-R1228 IonicContact OD1-CZ 2.62Å; D1167-R1228 IonicContact OD1-NH1 3.2Å; D1167-R1228 IonicContact OD1-NH2 2.78Å; D1167-R1228 PolarHBondContact OD1-NH2 3.14Å; D1167-R1228 IonicContact OD2-CZ 3.09Å; D1167-R1228 IonicContact OD2-NH2 3.11Å; D1167-R1228 PolarHBondContact OD2-NH2 2.94Å |
| 1168 | C | 33.7 | Very low | 39 | Very low | 63 Ų | 63 | 69.9 Ų | 69.9 | 43% | 0.426 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71.3 | -29.1 | 172.7 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | K1165 Y1171 F1172 | K1165-C1168 HydrophobicContact CG-CB 4.06Å; C1168-Y1171 PolarHBondContact O-N 2.91Å; C1168-F1172 WeakPolarHBondContact O-CB 3.23Å; C1168-F1172 PolarHBondContact O-N 3.34Å |
| 1169 | F | 29.1 | Very low | 38 | Very low | 47 Ų | 47 | 72.7 Ų | 72.7 | 21% | 0.206 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.2 | -34.9 | 165.4 | -103.5 | -96 | 0 | 0 | 0 | 111.3 | L1078 K1165 D1167 Y1171 C1173 L1177 | L1078-F1169 HydrophobicContact CD1-CE1 4.37Å; L1078-F1169 HydrophobicContact CD1-CZ 4.4Å; L1078-F1169 HydrophobicContact CD2-CZ 4.26Å; K1165-F1169 VanDerWaalsContact O-CB 3.29Å; K1165-F1169 WeakPolarHBondContact O-CB 3.41Å; K1165-F1169 PolarHBondContact O-N 3.02Å; D1167-F1169 VanDerWaalsContact C-N 3.34Å; F1169-Y1171 VanDerWaalsContact C-N 3.27Å; F1169-Y1171 PolarHBondContact O-N 2.75Å; F1169-C1173 HydrophobicContact CD1-CB 3.39Å; F1169-C1173 HydrophobicContact CE1-CB 3.61Å; F1169-C1173 VanDerWaalsContact CE1-SG 3.52Å; F1169-C1173 HydrophobicContact CG-CB 4.22Å; F1169-C1173 PolarHBondContact O-N 3.23Å; F1169-L1177 HydrophobicContact CD1-CD1 3.77Å; F1169-L1177 HydrophobicContact CE1-CD1 4.27Å; F1169-L1177 HydrophobicContact CG-CD1 4.44Å |
| 1170 | F | 28.6 | Very low | 37.3 | Very low | 128 Ų | 128 | 79.6 Ų | 79.6 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.8 | -32.7 | 173.9 | -128.5 | -88.9 | 0 | 0 | 0 | 113 | S1166 D1167 P1179 | S1166-F1170 PolarHBondContact O-N 2.96Å; D1167-F1170 CarbonylContact O-C 3.58Å; D1167-F1170 WeakPolarHBondContact O-CA 3.43Å; D1167-F1170 WeakPolarHBondContact O-CB 3.49Å; D1167-F1170 PolarHBondContact O-N 3.3Å; F1170-P1179 HydrophobicContact CE2-CG 4.04Å; F1170-P1179 HydrophobicContact CZ-CG 4.1Å |
| 1171 | Y | 29.9 | Very low | 36.9 | Very low | 180 Ų | 180 | 78 Ų | 78 | 71% | 0.706 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -95.4 | -26.7 | -178.4 | -99.9 | -82.1 | 0 | 0 | 0 | 115.4 | D1167 C1168 F1169 | D1167-Y1171 PolarHBondContact O-N 2.99Å; C1168-Y1171 PolarHBondContact O-N 2.91Å; F1169-Y1171 VanDerWaalsContact C-N 3.27Å; F1169-Y1171 PolarHBondContact O-N 2.75Å |
| 1172 | F | 27.9 | Very low | 36.7 | Very low | 128 Ų | 128 | 76.7 Ų | 76.7 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -117.4 | -21.6 | -171.3 | -112.1 | -86.6 | 0 | 0 | 0 | 115.7 | C1168 | C1168-F1172 WeakPolarHBondContact O-CB 3.23Å; C1168-F1172 PolarHBondContact O-N 3.34Å |
| 1173 | C | 23.6 | Very low | 36.6 | Very low | 48 Ų | 48 | 80.1 Ų | 80.1 | 32% | 0.324 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -106.6 | 106.3 | -179.9 | -75.7 | 0 | 0 | 0 | 0 | 110.9 | F1169 A1175 | F1169-C1173 HydrophobicContact CD1-CB 3.39Å; F1169-C1173 HydrophobicContact CE1-CB 3.61Å; F1169-C1173 VanDerWaalsContact CE1-SG 3.52Å; F1169-C1173 HydrophobicContact CG-CB 4.22Å; F1169-C1173 PolarHBondContact O-N 3.23Å; C1173-A1175 PolarHBondContact O-N 3.19Å |
| 1174 | H | 26.5 | Very low | 37.1 | Very low | 163 Ų | 163 | 80.7 Ų | 80.7 | 76% | 0.755 | 41% | 0.41 | S | S | * | . | trans | -33.2 | 123.5 | 156 | -84 | -57.4 | 0 | 0 | 0 | 112.2 | ||||
| 1175 | A | 28.8 | Very low | 38 | Very low | 81 Ų | 81 | 76.8 Ų | 76.8 | 67% | 0.669 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 80.3 | 112.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | C1173 | C1173-A1175 PolarHBondContact O-N 3.19Š|
| 1176 | N | 32 | Very low | 39.2 | Very low | 157 Ų | 157 | 76.8 Ų | 76.8 | 84% | 0.84 | 40% | 0.396 | S | S | * | . | trans | 56.7 | 60 | 142.4 | -58.6 | -12.2 | 0 | 0 | 0 | 119.3 | ||||
| 1177 | L | 29.8 | Very low | 40.5 | Very low | 39 Ų | 39 | 80 Ų | 80 | 20% | 0.204 | 42% | 0.416 | C | S | . | . | trans | -100.5 | 111.6 | 141.7 | -91.1 | 102.5 | 0 | 0 | 0 | 108.4 | L1078 I1081 F1169 T1181 | L1078-L1177 HydrophobicContact CD1-CD1 3.9Å; L1078-L1177 HydrophobicContact CD1-CD2 4.27Å; I1081-L1177 HydrophobicContact CB-CD2 4.47Å; I1081-L1177 HydrophobicContact CD1-CD2 4.17Å; I1081-L1177 HydrophobicContact CG2-CD2 3.67Å; I1081-L1177 HydrophobicContact CG2-CG 4.19Å; F1169-L1177 HydrophobicContact CD1-CD1 3.77Å; F1169-L1177 HydrophobicContact CE1-CD1 4.27Å; F1169-L1177 HydrophobicContact CG-CD1 4.44Å; L1177-T1181 HydrophobicContact CD2-CG2 4.29Å | ||
| 1178 | D | 37.5 | Very low | 42.2 | Very low | 48 Ų | 48 | 76.9 Ų | 76.9 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | trans | -62.3 | 137.3 | -179.1 | -165.3 | -47 | 0 | 0 | 0 | 108.9 | R1180 T1181 | D1178-R1180 HydrophobicContact CB-CB 4.08Å; D1178-R1180 PolarHBondContact O-N 3.28Å; D1178-R1180 VanDerWaalsContact OD1-CB 3.29Å; D1178-R1180 WeakPolarHBondContact OD1-CB 3.36Å; D1178-R1180 VanDerWaalsContact OD1-CG 3.23Å; D1178-R1180 WeakPolarHBondContact OD1-CG 3.5Å; D1178-R1180 PolarHBondContact OD1-N 3.38Å; D1178-R1180 IonicContact OD1-NE 3.95Å; D1178-R1180 PolarHBondContact OD1-NE 2.67Å; D1178-R1180 IonicContact OD2-CZ 3.34Å; D1178-R1180 IonicContact OD2-NE 3.97Å; D1178-R1180 PolarHBondContact OD2-NE 2.62Å; D1178-R1180 IonicContact OD2-NH2 3.4Å; D1178-R1180 PolarHBondContact OD2-NH2 2.95Å; D1178-T1181 PolarHBondContact O-N 3.02Å; D1178-T1181 PolarHBondContact O-OG1 3.47Å | ||
| 1179 | P | 38.5 | Very low | 44.1 | Very low | 84 Ų | 84 | 74 Ų | 74 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -44.1 | -25.6 | 167.1 | -29.3 | 34.3 | 0 | 0 | 0 | 113.6 | F1170 T1181 C1182 | F1170-P1179 HydrophobicContact CE2-CG 4.04Å; F1170-P1179 HydrophobicContact CZ-CG 4.1Å; P1179-T1181 PolarHBondContact O-N 3.38Å; P1179-C1182 WeakPolarHBondContact O-CB 3.3Å; P1179-C1182 PolarHBondContact O-N 2.96Å |
| 1180 | R | 44 | Very low | 46.1 | Very low | 147 Ų | 147 | 73.7 Ų | 73.7 | 56% | 0.555 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -54.8 | -11.4 | 168.7 | -75.7 | -177.3 | -101.2 | -172.9 | -0.3 | 116.3 | R1084 D1178 C1182 D1183 | R1084-R1180 PolarHBondContact NH1-O 3.03Å; R1084-R1180 PolarHBondContact NH2-O 3.33Å; D1178-R1180 HydrophobicContact CB-CB 4.08Å; D1178-R1180 PolarHBondContact O-N 3.28Å; D1178-R1180 VanDerWaalsContact OD1-CB 3.29Å; D1178-R1180 WeakPolarHBondContact OD1-CB 3.36Å; D1178-R1180 VanDerWaalsContact OD1-CG 3.23Å; D1178-R1180 WeakPolarHBondContact OD1-CG 3.5Å; D1178-R1180 PolarHBondContact OD1-N 3.38Å; D1178-R1180 IonicContact OD1-NE 3.95Å; D1178-R1180 PolarHBondContact OD1-NE 2.67Å; D1178-R1180 IonicContact OD2-CZ 3.34Å; D1178-R1180 IonicContact OD2-NE 3.97Å; D1178-R1180 PolarHBondContact OD2-NE 2.62Å; D1178-R1180 IonicContact OD2-NH2 3.4Å; D1178-R1180 PolarHBondContact OD2-NH2 2.95Å; R1180-C1182 VanDerWaalsContact C-N 3.29Å; R1180-D1183 WeakPolarHBondContact CA-OD2 3.4Å; R1180-D1183 WeakPolarHBondContact CG-OD2 3.28Å; R1180-D1183 WeakPolarHBondContact O-CB 3.37Å; R1180-D1183 PolarHBondContact O-N 3.19Å |
| 1181 | T | 46.7 | Very low | 48.2 | Very low | 22 Ų | 22 | 71.4 Ų | 71.4 | 14% | 0.135 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -67.3 | -35.3 | 171.2 | -42.7 | 0 | 0 | 0 | 0 | 110.7 | I1081 L1177 D1178 P1179 D1183 L1184 | I1081-T1181 HydrophobicContact CD1-CG2 3.62Å; I1081-T1181 HydrophobicContact CG1-CG2 4.05Å; I1081-T1181 HydrophobicContact CG2-CG2 4.15Å; L1177-T1181 HydrophobicContact CD2-CG2 4.29Å; D1178-T1181 PolarHBondContact O-N 3.02Å; D1178-T1181 PolarHBondContact O-OG1 3.47Å; P1179-T1181 PolarHBondContact O-N 3.38Å; T1181-D1183 VanDerWaalsContact C-N 3.28Å; T1181-D1183 PolarHBondContact O-N 3.43Å; T1181-L1184 HydrophobicContact CG2-CD1 4.34Å; T1181-L1184 WeakPolarHBondContact O-CB 3.46Å; T1181-L1184 PolarHBondContact O-N 3.5Å |
| 1182 | C | 47.8 | Very low | 50.2 | Low | 18 Ų | 18 | 63 Ų | 63 | 12% | 0.122 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -70.1 | -25.3 | 173.4 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | P1179 R1180 L1184 L1185 P1186 R1228 F1230 | P1179-C1182 WeakPolarHBondContact O-CB 3.3Å; P1179-C1182 PolarHBondContact O-N 2.96Å; R1180-C1182 VanDerWaalsContact C-N 3.29Å; C1182-L1184 PolarHBondContact O-N 3.32Å; C1182-L1185 PolarHBondContact O-N 3.02Å; C1182-P1186 WeakPolarHBondContact O-CD 3.28Å; C1182-R1228 PolarHBondContact SG-NH1 3.03Å; C1182-F1230 HydrophobicContact CB-CE2 3.7Å; C1182-F1230 HydrophobicContact CB-CZ 3.6Å |
| 1183 | D | 53.2 | Low | 52.5 | Low | 101 Ų | 101 | 56.9 Ų | 56.9 | 54% | 0.54 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -68.3 | -10.4 | 177.7 | -64.4 | -20.5 | 0 | 0 | 0 | 113.3 | R1180 T1181 P1186 | R1180-D1183 WeakPolarHBondContact CA-OD2 3.4Å; R1180-D1183 WeakPolarHBondContact CG-OD2 3.28Å; R1180-D1183 WeakPolarHBondContact O-CB 3.37Å; R1180-D1183 PolarHBondContact O-N 3.19Å; T1181-D1183 VanDerWaalsContact C-N 3.28Å; T1181-D1183 PolarHBondContact O-N 3.43Å; D1183-P1186 WeakPolarHBondContact O-CD 3.48Å |
| 1184 | L | 61.7 | Low | 54.9 | Low | 21 Ų | 21 | 56.1 Ų | 56.1 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -78.2 | -25.1 | 175.9 | -70.5 | 163 | 0 | 0 | 0 | 113.7 | R1084 L1101 L1105 T1181 C1182 P1187 F1188 | R1084-L1184 VanDerWaalsContact NH1-CD2 3.26Å; L1101-L1184 HydrophobicContact CD1-CD1 3.72Å; L1101-L1184 HydrophobicContact CD2-CD1 3.44Å; L1101-L1184 VanDerWaalsContact CD2-CD1 3.44Å; L1101-L1184 HydrophobicContact CD2-CD2 4.16Å; L1101-L1184 HydrophobicContact CD2-CG 4.24Å; L1101-L1184 HydrophobicContact CG-CD1 4.25Å; L1105-L1184 HydrophobicContact CD1-CB 4.1Å; T1181-L1184 HydrophobicContact CG2-CD1 4.34Å; T1181-L1184 WeakPolarHBondContact O-CB 3.46Å; T1181-L1184 PolarHBondContact O-N 3.5Å; C1182-L1184 PolarHBondContact O-N 3.32Å; L1184-P1187 WeakPolarHBondContact O-CD 3.49Å; L1184-F1188 VanDerWaalsContact O-CD2 3.26Å; L1184-F1188 WeakPolarHBondContact O-CD2 3.32Å |
| 1185 | L | 62.2 | Low | 57.3 | Low | 15 Ų | 15 | 49.8 Ų | 49.8 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -84.2 | -33.1 | -172.7 | -66.4 | 163.7 | 0 | 0 | 0 | 115.2 | L1105 F1163 C1182 P1187 F1188 M1189 L1231 | L1105-L1185 HydrophobicContact CD1-CD2 4.47Å; L1105-L1185 HydrophobicContact CD2-CD2 4.24Å; F1163-L1185 HydrophobicContact CD1-CD1 3.52Å; F1163-L1185 HydrophobicContact CE1-CB 4.07Å; F1163-L1185 HydrophobicContact CE1-CD1 3.21Å; F1163-L1185 HydrophobicContact CE1-CD2 4.18Å; F1163-L1185 HydrophobicContact CE1-CG 3.99Å; F1163-L1185 HydrophobicContact CG-CD1 4.36Å; F1163-L1185 HydrophobicContact CZ-CB 4.34Å; F1163-L1185 HydrophobicContact CZ-CD1 3.82Å; F1163-L1185 HydrophobicContact CZ-CD2 3.91Å; F1163-L1185 HydrophobicContact CZ-CG 4.22Å; C1182-L1185 PolarHBondContact O-N 3.02Å; L1185-P1187 VanDerWaalsContact C-N 3.32Å; L1185-F1188 PolarHBondContact O-N 2.71Å; L1185-M1189 PolarHBondContact O-N 2.95Å; L1185-L1231 HydrophobicContact CB-CD2 4.03Å |
| 1186 | P | 67.4 | Low | 59.6 | Low | 20 Ų | 20 | 46.1 Ų | 46.1 | 13% | 0.13 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -47.3 | -44 | 178.7 | -26.5 | 29.4 | 0 | 0 | 0 | 114.6 | C1182 D1183 F1188 M1189 L1231 E1234 | C1182-P1186 WeakPolarHBondContact O-CD 3.28Å; D1183-P1186 WeakPolarHBondContact O-CD 3.48Å; P1186-F1188 PolarHBondContact O-N 3.2Å; P1186-M1189 WeakPolarHBondContact O-CB 3.33Å; P1186-M1189 PolarHBondContact O-N 2.85Å; P1186-L1231 HydrophobicContact CG-CD2 4.16Å; P1186-E1234 HydrophobicContact CB-CG 3.59Å |
| 1187 | P | 66.4 | Low | 61.7 | Low | 90 Ų | 90 | 38.7 Ų | 38.7 | 58% | 0.584 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -60.7 | -28.9 | 177.2 | -21.9 | 33.3 | 0 | 0 | 0 | 114.3 | L1184 L1185 | L1184-P1187 WeakPolarHBondContact O-CD 3.49Å; L1185-P1187 VanDerWaalsContact C-N 3.32Å |
| 1188 | F | 70.7 | Confident | 63.7 | Low | 15 Ų | 15 | 38.5 Ų | 38.5 | 7% | 0.066 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -90.9 | -14 | -177.7 | -65 | -82.5 | 0 | 0 | 0 | 113.1 | T1102 L1105 V1109 L1184 L1185 P1186 P1190 Q1191 I1192 | T1102-F1188 HydrophobicContact CG2-CE2 4.47Å; T1102-F1188 HydrophobicContact CG2-CZ 3.76Å; T1102-F1188 WeakPolarHBondContact O-CZ 3.46Å; L1105-F1188 HydrophobicContact CB-CD1 4.49Å; L1105-F1188 HydrophobicContact CB-CD2 4.21Å; L1105-F1188 HydrophobicContact CB-CE1 4.09Å; L1105-F1188 HydrophobicContact CB-CE2 3.78Å; L1105-F1188 HydrophobicContact CB-CZ 3.7Å; L1105-F1188 HydrophobicContact CD1-CD2 4.2Å; L1105-F1188 HydrophobicContact CD1-CE2 3.84Å; L1105-F1188 HydrophobicContact CG-CE2 4.49Å; V1109-F1188 HydrophobicContact CG2-CB 4.25Å; V1109-F1188 HydrophobicContact CG2-CD1 4.19Å; L1184-F1188 VanDerWaalsContact O-CD2 3.26Å; L1184-F1188 WeakPolarHBondContact O-CD2 3.32Å; L1185-F1188 PolarHBondContact O-N 2.71Å; P1186-F1188 PolarHBondContact O-N 3.2Å; F1188-P1190 VanDerWaalsContact C-CD 3.48Å; F1188-Q1191 WeakPolarHBondContact O-CB 3.09Å; F1188-Q1191 PolarHBondContact O-N 3.18Å; F1188-I1192 HydrophobicContact CB-CD1 4.12Å; F1188-I1192 HydrophobicContact CB-CG1 4.46Å; F1188-I1192 WeakPolarHBondContact O-CG1 3.36Å; F1188-I1192 PolarHBondContact O-N 3.27Å |
| 1189 | M | 74.4 | Confident | 65.4 | Low | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53 | -42.8 | -178 | -77.1 | -60.7 | -61.6 | 0 | 0 | 114 | F1163 L1185 P1186 Q1191 I1192 I1193 I1225 L1231 E1234 V1235 | F1163-M1189 HydrophobicContact CZ-SD 4.43Å; L1185-M1189 PolarHBondContact O-N 2.95Å; P1186-M1189 WeakPolarHBondContact O-CB 3.33Å; P1186-M1189 PolarHBondContact O-N 2.85Å; M1189-Q1191 VanDerWaalsContact C-N 3.31Å; M1189-Q1191 PolarHBondContact O-N 3.02Å; M1189-I1192 PolarHBondContact O-N 3.41Å; M1189-I1192 HydrophobicContact SD-CD1 4.32Å; M1189-I1193 VanDerWaalsContact O-CG1 3.32Å; M1189-I1193 WeakPolarHBondContact O-CG1 3.18Å; M1189-I1193 PolarHBondContact O-N 3.1Å; M1189-I1225 HydrophobicContact CE-CG2 4.26Å; M1189-I1225 HydrophobicContact SD-CG2 4.32Å; M1189-L1231 HydrophobicContact CE-CB 4.33Å; M1189-L1231 HydrophobicContact CG-CB 4.33Å; M1189-L1231 HydrophobicContact CG-CD2 4.19Å; M1189-L1231 HydrophobicContact SD-CB 4.26Å; M1189-L1231 HydrophobicContact SD-CD1 4.32Å; M1189-L1231 HydrophobicContact SD-CD2 4.34Å; M1189-E1234 HydrophobicContact CB-CB 4.47Å; M1189-V1235 HydrophobicContact CE-CG2 4.04Å |
| 1190 | P | 71.2 | Confident | 67.2 | Low | 41 Ų | 41 | 32.4 Ų | 32.4 | 27% | 0.266 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.4 | -37.9 | 176.4 | -24.3 | 35.3 | 0 | 0 | 0 | 113.4 | F1188 T1194 | F1188-P1190 VanDerWaalsContact C-CD 3.48Å; P1190-T1194 WeakPolarHBondContact O-CB 3.29Å; P1190-T1194 PolarHBondContact O-N 3.26Å; P1190-T1194 VanDerWaalsContact O-N 3.12Å; P1190-T1194 PolarHBondContact O-OG1 2.69Å |
| 1191 | Q | 71.6 | Confident | 68.5 | Low | 81 Ų | 81 | 26.1 Ų | 26.1 | 38% | 0.379 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -73.5 | -41.8 | 177.5 | -65.5 | 176.6 | -32.2 | 0 | 0 | 110.9 | V1109 F1188 M1189 I1193 T1194 Q1195 | V1109-Q1191 HydrophobicContact CG1-CB 3.5Å; V1109-Q1191 VanDerWaalsContact CG1-CB 3.5Å; F1188-Q1191 WeakPolarHBondContact O-CB 3.09Å; F1188-Q1191 PolarHBondContact O-N 3.18Å; M1189-Q1191 VanDerWaalsContact C-N 3.31Å; M1189-Q1191 PolarHBondContact O-N 3.02Å; Q1191-I1193 VanDerWaalsContact C-N 3.33Å; Q1191-I1193 PolarHBondContact O-N 3.49Å; Q1191-T1194 WeakPolarHBondContact O-CA 3.16Å; Q1191-T1194 VanDerWaalsContact O-CB 3.3Å; Q1191-T1194 WeakPolarHBondContact O-CB 3.41Å; Q1191-T1194 PolarHBondContact O-N 3.44Å; Q1191-T1194 VanDerWaalsContact O-N 3.1Å; Q1191-Q1195 VanDerWaalsContact O-CG 3.28Å; Q1191-Q1195 WeakPolarHBondContact O-CG 3.45Å; Q1191-Q1195 PolarHBondContact O-N 2.79Å |
| 1192 | I | 73.3 | Confident | 69.5 | Low | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 174.9 | -67.8 | 167.5 | 0 | 0 | 0 | 110.6 | V1109 L1159 F1163 F1188 M1189 T1194 Q1195 L1196 | V1109-I1192 HydrophobicContact CG1-CG1 4.28Å; V1109-I1192 HydrophobicContact CG2-CD1 4.32Å; V1109-I1192 HydrophobicContact CG2-CG1 3.71Å; L1159-I1192 HydrophobicContact CD1-CD1 4.26Å; L1159-I1192 HydrophobicContact CD1-CG1 4.3Å; L1159-I1192 HydrophobicContact CD1-CG2 4.45Å; F1163-I1192 HydrophobicContact CE2-CD1 4.3Å; F1163-I1192 HydrophobicContact CZ-CD1 4.01Å; F1188-I1192 HydrophobicContact CB-CD1 4.12Å; F1188-I1192 HydrophobicContact CB-CG1 4.46Å; F1188-I1192 WeakPolarHBondContact O-CG1 3.36Å; F1188-I1192 PolarHBondContact O-N 3.27Å; M1189-I1192 PolarHBondContact O-N 3.41Å; M1189-I1192 HydrophobicContact SD-CD1 4.32Å; I1192-T1194 VanDerWaalsContact C-N 3.29Å; I1192-T1194 PolarHBondContact O-N 3.05Å; I1192-Q1195 PolarHBondContact O-N 3.43Å; I1192-L1196 HydrophobicContact CG2-CD1 3.85Å; I1192-L1196 HydrophobicContact CG2-CG 4.29Å; I1192-L1196 WeakPolarHBondContact O-CB 3.43Å; I1192-L1196 VanDerWaalsContact O-CG 3.31Å; I1192-L1196 WeakPolarHBondContact O-CG 3.45Å; I1192-L1196 PolarHBondContact O-N 3.45Å |
| 1193 | I | 75.4 | Confident | 70.6 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 176.7 | -69.6 | 171.5 | 0 | 0 | 0 | 110.8 | M1189 Q1191 T1197 V1235 N1239 L1243 | M1189-I1193 VanDerWaalsContact O-CG1 3.32Å; M1189-I1193 WeakPolarHBondContact O-CG1 3.18Å; M1189-I1193 PolarHBondContact O-N 3.1Å; Q1191-I1193 VanDerWaalsContact C-N 3.33Å; Q1191-I1193 PolarHBondContact O-N 3.49Å; I1193-T1197 WeakPolarHBondContact O-CB 3.48Å; I1193-T1197 PolarHBondContact O-N 3.46Å; I1193-T1197 PolarHBondContact O-OG1 3.24Å; I1193-V1235 HydrophobicContact CD1-CB 4.16Å; I1193-V1235 HydrophobicContact CD1-CG1 3.54Å; I1193-V1235 HydrophobicContact CD1-CG2 3.71Å; I1193-N1239 HydrophobicContact CG2-CB 3.79Å; I1193-L1243 HydrophobicContact CG1-CD2 4.5Å; I1193-L1243 HydrophobicContact CG2-CB 4.16Å; I1193-L1243 HydrophobicContact CG2-CD2 4.14Å |
| 1194 | T | 74.6 | Confident | 71.4 | Confident | 31 Ų | 31 | 25.2 Ų | 25.2 | 19% | 0.19 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.9 | -48.8 | 177.1 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | P1190 Q1191 I1192 T1197 L1198 F1330 | P1190-T1194 WeakPolarHBondContact O-CB 3.29Å; P1190-T1194 PolarHBondContact O-N 3.26Å; P1190-T1194 VanDerWaalsContact O-N 3.12Å; P1190-T1194 PolarHBondContact O-OG1 2.69Å; Q1191-T1194 WeakPolarHBondContact O-CA 3.16Å; Q1191-T1194 VanDerWaalsContact O-CB 3.3Å; Q1191-T1194 WeakPolarHBondContact O-CB 3.41Å; Q1191-T1194 PolarHBondContact O-N 3.44Å; Q1191-T1194 VanDerWaalsContact O-N 3.1Å; I1192-T1194 VanDerWaalsContact C-N 3.29Å; I1192-T1194 PolarHBondContact O-N 3.05Å; T1194-T1197 WeakPolarHBondContact O-CB 3.29Å; T1194-T1197 PolarHBondContact O-N 2.93Å; T1194-L1198 HydrophobicContact CG2-CD1 4.27Å; T1194-L1198 WeakPolarHBondContact O-CG 3.34Å; T1194-L1198 PolarHBondContact O-N 3.45Å; T1194-F1330 HydrophobicContact CG2-CE1 3.85Å; T1194-F1330 HydrophobicContact CG2-CZ 3.55Å |
| 1195 | Q | 75.9 | Confident | 71.5 | Confident | 31 Ų | 31 | 33 Ų | 33 | 15% | 0.145 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.6 | -37.8 | -177 | -61.8 | -66.1 | 6.6 | 0 | 0 | 112.5 | V1109 L1112 Q1191 I1192 T1197 L1198 L1199 | V1109-Q1195 HydrophobicContact CG1-CG 4.04Å; V1109-Q1195 WeakPolarHBondContact O-CG 3.43Å; L1112-Q1195 HydrophobicContact CB-CB 3.68Å; L1112-Q1195 HydrophobicContact CB-CG 4.43Å; L1112-Q1195 HydrophobicContact CD1-CB 4.35Å; Q1191-Q1195 VanDerWaalsContact O-CG 3.28Å; Q1191-Q1195 WeakPolarHBondContact O-CG 3.45Å; Q1191-Q1195 PolarHBondContact O-N 2.79Å; I1192-Q1195 PolarHBondContact O-N 3.43Å; Q1195-T1197 VanDerWaalsContact C-N 3.28Å; Q1195-T1197 PolarHBondContact O-N 2.95Å; Q1195-L1198 PolarHBondContact O-N 3Å; Q1195-L1199 VanDerWaalsContact O-CB 3.31Å; Q1195-L1199 WeakPolarHBondContact O-CB 3.29Å; Q1195-L1199 PolarHBondContact O-N 3.48Å |
| 1196 | L | 76.6 | Confident | 71.5 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -36.5 | 170.9 | -72.9 | 175 | 0 | 0 | 0 | 111.9 | L1156 I1192 L1199 C1200 F1215 L1222 F1226 L1243 | L1156-L1196 HydrophobicContact CD2-CD2 4.29Å; I1192-L1196 HydrophobicContact CG2-CD1 3.85Å; I1192-L1196 HydrophobicContact CG2-CG 4.29Å; I1192-L1196 WeakPolarHBondContact O-CB 3.43Å; I1192-L1196 VanDerWaalsContact O-CG 3.31Å; I1192-L1196 WeakPolarHBondContact O-CG 3.45Å; I1192-L1196 PolarHBondContact O-N 3.45Å; L1196-L1199 PolarHBondContact O-N 3.44Å; L1196-C1200 WeakPolarHBondContact O-CB 3.4Å; L1196-C1200 PolarHBondContact O-N 3.25Å; L1196-C1200 PolarHBondContact O-SG 3.38Å; L1196-F1215 HydrophobicContact CD2-CE2 4.34Å; L1196-L1222 HydrophobicContact CD1-CD2 4.37Å; L1196-L1222 HydrophobicContact CD2-CD1 4.33Å; L1196-L1222 HydrophobicContact CD2-CD2 4.24Å; L1196-F1226 HydrophobicContact CD1-CE2 4.49Å; L1196-F1226 HydrophobicContact CD1-CZ 4.22Å; L1196-L1243 HydrophobicContact CB-CD1 3.8Å |
| 1197 | T | 76.9 | Confident | 70.9 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.2 | -49.2 | 175.4 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | I1193 T1194 Q1195 L1199 C1200 N1201 L1243 F1330 | I1193-T1197 WeakPolarHBondContact O-CB 3.48Å; I1193-T1197 PolarHBondContact O-N 3.46Å; I1193-T1197 PolarHBondContact O-OG1 3.24Å; T1194-T1197 WeakPolarHBondContact O-CB 3.29Å; T1194-T1197 PolarHBondContact O-N 2.93Å; Q1195-T1197 VanDerWaalsContact C-N 3.28Å; Q1195-T1197 PolarHBondContact O-N 2.95Å; T1197-L1199 VanDerWaalsContact C-N 3.31Å; T1197-L1199 PolarHBondContact O-N 3.19Å; T1197-C1200 PolarHBondContact O-N 3.33Å; T1197-N1201 PolarHBondContact O-N 3.07Å; T1197-L1243 WeakPolarHBondContact OG1-CA 2.95Å; T1197-L1243 WeakPolarHBondContact OG1-CB 3.25Å; T1197-L1243 PolarHBondContact OG1-N 3.18Å; T1197-F1330 HydrophobicContact CG2-CD1 4Å; T1197-F1330 HydrophobicContact CG2-CE1 4.41Å |
| 1198 | L | 72.8 | Confident | 70.2 | Confident | 34 Ų | 34 | 38.5 Ų | 38.5 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 176.5 | -72 | 171.2 | 0 | 0 | 0 | 111.5 | T1194 Q1195 N1201 R1202 P1329 | T1194-L1198 HydrophobicContact CG2-CD1 4.27Å; T1194-L1198 WeakPolarHBondContact O-CG 3.34Å; T1194-L1198 PolarHBondContact O-N 3.45Å; Q1195-L1198 PolarHBondContact O-N 3Å; L1198-N1201 PolarHBondContact O-N 3.4Å; L1198-R1202 WeakPolarHBondContact O-CG 3.41Å; L1198-R1202 PolarHBondContact O-N 3.46Å; L1198-P1329 HydrophobicContact CD2-CB 4.1Å; L1198-P1329 WeakPolarHBondContact CD2-O 3.33Å |
| 1199 | L | 72.9 | Confident | 69.3 | Low | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 176.4 | 179.4 | 59.3 | 0 | 0 | 0 | 111.6 | V1152 L1156 Q1195 L1196 T1197 N1201 R1202 L1203 F1215 | V1152-L1199 HydrophobicContact CG1-CD1 3.65Å; V1152-L1199 HydrophobicContact CG1-CD2 3.72Å; V1152-L1199 HydrophobicContact CG1-CG 4.36Å; L1156-L1199 HydrophobicContact CD1-CD2 4.19Å; L1156-L1199 HydrophobicContact CD2-CD2 4.33Å; Q1195-L1199 VanDerWaalsContact O-CB 3.31Å; Q1195-L1199 WeakPolarHBondContact O-CB 3.29Å; Q1195-L1199 PolarHBondContact O-N 3.48Å; L1196-L1199 PolarHBondContact O-N 3.44Å; T1197-L1199 VanDerWaalsContact C-N 3.31Å; T1197-L1199 PolarHBondContact O-N 3.19Å; L1199-N1201 VanDerWaalsContact C-N 3.3Å; L1199-N1201 PolarHBondContact O-N 2.93Å; L1199-R1202 PolarHBondContact O-N 2.83Å; L1199-L1203 HydrophobicContact CD1-CD1 4.08Å; L1199-L1203 HydrophobicContact CD1-CG 4.03Å; L1199-L1203 HydrophobicContact CG-CD1 3.97Å; L1199-L1203 HydrophobicContact CG-CG 4.35Å; L1199-L1203 WeakPolarHBondContact O-CB 3.2Å; L1199-L1203 VanDerWaalsContact O-CG 3.29Å; L1199-L1203 WeakPolarHBondContact O-CG 3.22Å; L1199-L1203 PolarHBondContact O-N 3.22Å; L1199-F1215 HydrophobicContact CD2-CD2 3.71Å; L1199-F1215 HydrophobicContact CD2-CE2 3.9Å; L1199-F1215 HydrophobicContact CG-CD2 4.34Å; L1199-F1215 HydrophobicContact CG-CE2 4.45Å |
| 1200 | C | 75.3 | Confident | 68.1 | Low | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.3 | -42.8 | 176 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | L1196 T1197 L1203 Y1204 | L1196-C1200 WeakPolarHBondContact O-CB 3.4Å; L1196-C1200 PolarHBondContact O-N 3.25Å; L1196-C1200 PolarHBondContact O-SG 3.38Å; T1197-C1200 PolarHBondContact O-N 3.33Å; C1200-L1203 PolarHBondContact O-N 3.42Å; C1200-Y1204 VanDerWaalsContact O-CB 3.3Å; C1200-Y1204 WeakPolarHBondContact O-CB 3.5Å; C1200-Y1204 PolarHBondContact O-N 3.49Å |
| 1201 | N | 71.4 | Confident | 67.1 | Low | 14 Ų | 14 | 40 Ų | 40 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 176.6 | -77.6 | -25 | 0 | 0 | 0 | 112.4 | T1197 L1198 L1199 Y1204 R1205 S1246 | T1197-N1201 PolarHBondContact O-N 3.07Å; L1198-N1201 PolarHBondContact O-N 3.4Å; L1199-N1201 VanDerWaalsContact C-N 3.3Å; L1199-N1201 PolarHBondContact O-N 2.93Å; N1201-Y1204 PolarHBondContact O-N 3.13Å; N1201-R1205 WeakPolarHBondContact O-CG 3.41Å; N1201-R1205 PolarHBondContact O-N 3.11Å; N1201-R1205 VanDerWaalsContact O-N 3.09Å; N1201-S1246 WeakPolarHBondContact OD1-CB 3.46Å; N1201-S1246 PolarHBondContact OD1-OG 2.86Å |
| 1202 | R | 68.7 | Low | 66.5 | Low | 93 Ų | 93 | 36.6 Ų | 36.6 | 35% | 0.351 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.9 | -44.8 | 175.2 | -73 | 178.7 | -174.3 | 175.8 | 9.8 | 111.7 | G1113 G1114 L1198 L1199 Y1204 R1205 S1206 | G1113-R1202 PolarHBondContact O-NH1 3.27Å; G1113-R1202 PolarHBondContact O-NH2 3.43Å; G1114-R1202 PolarHBondContact O-NH1 2.93Å; L1198-R1202 WeakPolarHBondContact O-CG 3.41Å; L1198-R1202 PolarHBondContact O-N 3.46Å; L1199-R1202 PolarHBondContact O-N 2.83Å; R1202-Y1204 VanDerWaalsContact C-N 3.31Å; R1202-Y1204 PolarHBondContact O-N 3.26Å; R1202-R1205 CarbonylContact O-C 3.55Å; R1202-R1205 PolarHBondContact O-N 3.35Å; R1202-S1206 WeakPolarHBondContact O-CB 3.48Å; R1202-S1206 PolarHBondContact O-N 2.88Å |
| 1203 | L | 69.9 | Low | 65.6 | Low | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -35.4 | 176.6 | -69.4 | 175.1 | 0 | 0 | 0 | 112 | L1199 C1200 R1205 S1206 Q1212 F1215 L1250 | L1199-L1203 HydrophobicContact CD1-CD1 4.08Å; L1199-L1203 HydrophobicContact CD1-CG 4.03Å; L1199-L1203 HydrophobicContact CG-CD1 3.97Å; L1199-L1203 HydrophobicContact CG-CG 4.35Å; L1199-L1203 WeakPolarHBondContact O-CB 3.2Å; L1199-L1203 VanDerWaalsContact O-CG 3.29Å; L1199-L1203 WeakPolarHBondContact O-CG 3.22Å; L1199-L1203 PolarHBondContact O-N 3.22Å; C1200-L1203 PolarHBondContact O-N 3.42Å; L1203-R1205 VanDerWaalsContact C-N 3.34Å; L1203-S1206 PolarHBondContact O-N 3.45Å; L1203-S1206 PolarHBondContact O-OG 2.91Å; L1203-S1206 VanDerWaalsContact O-OG 3.06Å; L1203-Q1212 HydrophobicContact CB-CG 4.25Å; L1203-Q1212 HydrophobicContact CD2-CG 3.83Å; L1203-Q1212 PolarHBondContact O-NE2 2.83Å; L1203-F1215 HydrophobicContact CD1-CB 3.52Å; L1203-F1215 HydrophobicContact CD1-CD1 3.63Å; L1203-F1215 HydrophobicContact CD1-CD2 3.9Å; L1203-F1215 HydrophobicContact CD1-CE1 4.3Å; L1203-F1215 HydrophobicContact CD1-CG 3.39Å; L1203-L1250 HydrophobicContact CB-CD1 4.02Å |
| 1204 | Y | 69.4 | Low | 64.6 | Low | 20 Ų | 20 | 38.3 Ų | 38.3 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 173.1 | 174 | -98.5 | 0 | 0 | 0 | 112 | C1200 N1201 R1202 Q1249 R1253 D1333 | C1200-Y1204 VanDerWaalsContact O-CB 3.3Å; C1200-Y1204 WeakPolarHBondContact O-CB 3.5Å; C1200-Y1204 PolarHBondContact O-N 3.49Å; N1201-Y1204 PolarHBondContact O-N 3.13Å; R1202-Y1204 VanDerWaalsContact C-N 3.31Å; R1202-Y1204 PolarHBondContact O-N 3.26Å; Y1204-Q1249 HydrophobicContact CD2-CB 3.83Å; Y1204-Q1249 VanDerWaalsContact CD2-O 3.3Å; Y1204-Q1249 WeakPolarHBondContact CD2-O 3.41Å; Y1204-Q1249 HydrophobicContact CE2-CB 3.86Å; Y1204-Q1249 WeakPolarHBondContact CE2-O 3.46Å; Y1204-Q1249 HydrophobicContact CG-CB 4.41Å; Y1204-R1253 HydrophobicContact CD2-CB 3.62Å; Y1204-R1253 HydrophobicContact CD2-CG 4.09Å; Y1204-R1253 HydrophobicContact CE2-CB 3.76Å; Y1204-R1253 HydrophobicContact CE2-CG 4.26Å; Y1204-D1333 HydrophobicContact CE1-CB 3.68Å |
| 1205 | R | 65.5 | Low | 64 | Low | 186 Ų | 186 | 37 Ų | 37 | 70% | 0.702 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -77.4 | -24.4 | 178.2 | -68.9 | 178.4 | -173.9 | -170.2 | 3 | 113.3 | N1201 R1202 L1203 | N1201-R1205 WeakPolarHBondContact O-CG 3.41Å; N1201-R1205 PolarHBondContact O-N 3.11Å; N1201-R1205 VanDerWaalsContact O-N 3.09Å; R1202-R1205 CarbonylContact O-C 3.55Å; R1202-R1205 PolarHBondContact O-N 3.35Å; L1203-R1205 VanDerWaalsContact C-N 3.34Å |
| 1206 | S | 60.4 | Low | 63.4 | Low | 29 Ų | 29 | 36 Ų | 36 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -76.5 | 146.5 | -179 | 72.2 | 0 | 0 | 0 | 0 | 112.5 | R1202 L1203 N1209 Q1212 | R1202-S1206 WeakPolarHBondContact O-CB 3.48Å; R1202-S1206 PolarHBondContact O-N 2.88Å; L1203-S1206 PolarHBondContact O-N 3.45Å; L1203-S1206 PolarHBondContact O-OG 2.91Å; L1203-S1206 VanDerWaalsContact O-OG 3.06Å; S1206-N1209 PolarHBondContact OG-ND2 2.61Å; S1206-Q1212 PolarHBondContact O-NE2 2.78Å; S1206-Q1212 PolarHBondContact OG-NE2 3.32Å |
| 1207 | E | 55 | Low | 62.5 | Low | 160 Ų | 160 | 40.5 Ų | 40.5 | 75% | 0.748 | 20% | 0.2 | S | C | * | . | trans | -63.8 | 155.4 | 163.4 | -63.3 | -170.5 | 165.1 | 0 | 0 | 110.1 | N1209 | E1207-N1209 WeakPolarHBondContact O-CB 3.28Å; E1207-N1209 PolarHBondContact O-N 3.31Å | ||
| 1208 | S | 53.1 | Low | 61.6 | Low | 50 Ų | 50 | 40.9 Ų | 40.9 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -58 | 107.9 | -173.3 | -165.9 | 0 | 0 | 0 | 0 | 111.3 | Q1212 | S1208-Q1212 VanDerWaalsContact CA-OE1 3.26Å; S1208-Q1212 PolarHBondContact OG-OE1 3.31Å |
| 1209 | N | 50.2 | Low | 61.2 | Low | 39 Ų | 39 | 39.3 Ų | 39.3 | 21% | 0.209 | 20% | 0.195 | C | C | . | . | trans | -126.6 | 167.1 | -171.5 | 63.2 | 20.3 | 0 | 0 | 0 | 110.8 | S1206 E1207 G1211 Q1212 A1213 | S1206-N1209 PolarHBondContact OG-ND2 2.61Å; E1207-N1209 WeakPolarHBondContact O-CB 3.28Å; E1207-N1209 PolarHBondContact O-N 3.31Å; N1209-G1211 PolarHBondContact O-N 3.19Å; N1209-G1211 VanDerWaalsContact O-N 3.16Å; N1209-G1211 PolarHBondContact OD1-N 3.06Å; N1209-Q1212 WeakPolarHBondContact O-CB 3.5Å; N1209-Q1212 PolarHBondContact O-N 3.21Å; N1209-Q1212 PolarHBondContact OD1-N 2.88Å; N1209-A1213 PolarHBondContact O-N 3.34Å | ||
| 1210 | A | 49.8 | Very low | 60.4 | Low | 42 Ų | 42 | 43.5 Ų | 43.5 | 35% | 0.347 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -55.4 | -31.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1212 A1213 I1214 | A1210-Q1212 PolarHBondContact O-N 2.98Å; A1210-A1213 PolarHBondContact O-N 2.94Å; A1210-I1214 WeakPolarHBondContact O-CB 3.42Å; A1210-I1214 WeakPolarHBondContact O-CD1 3.16Å; A1210-I1214 VanDerWaalsContact O-CG1 3.25Å; A1210-I1214 WeakPolarHBondContact O-CG1 3.36Å; A1210-I1214 PolarHBondContact O-N 3.41Å |
| 1211 | G | 51.2 | Low | 59.6 | Low | 8 Ų | 8 | 46.3 Ų | 46.3 | 8% | 0.082 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1209 I1214 F1215 | N1209-G1211 PolarHBondContact O-N 3.19Å; N1209-G1211 VanDerWaalsContact O-N 3.16Å; N1209-G1211 PolarHBondContact OD1-N 3.06Å; G1211-I1214 PolarHBondContact O-N 3.41Å; G1211-F1215 WeakPolarHBondContact O-CB 3.4Å; G1211-F1215 PolarHBondContact O-N 2.92Å |
| 1212 | Q | 57.6 | Low | 59.1 | Low | 9 Ų | 9 | 46.1 Ų | 46.1 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.3 | -48.6 | 171.8 | -74.2 | -179.8 | -1.7 | 0 | 0 | 111 | L1203 S1206 S1208 N1209 A1210 I1214 F1215 M1216 | L1203-Q1212 HydrophobicContact CB-CG 4.25Å; L1203-Q1212 HydrophobicContact CD2-CG 3.83Å; L1203-Q1212 PolarHBondContact O-NE2 2.83Å; S1206-Q1212 PolarHBondContact O-NE2 2.78Å; S1206-Q1212 PolarHBondContact OG-NE2 3.32Å; S1208-Q1212 VanDerWaalsContact CA-OE1 3.26Å; S1208-Q1212 PolarHBondContact OG-OE1 3.31Å; N1209-Q1212 WeakPolarHBondContact O-CB 3.5Å; N1209-Q1212 PolarHBondContact O-N 3.21Å; N1209-Q1212 PolarHBondContact OD1-N 2.88Å; A1210-Q1212 PolarHBondContact O-N 2.98Å; Q1212-I1214 VanDerWaalsContact C-N 3.28Å; Q1212-I1214 PolarHBondContact O-N 3.45Å; Q1212-F1215 PolarHBondContact O-N 2.78Å; Q1212-M1216 WeakPolarHBondContact O-CB 3.49Å; Q1212-M1216 WeakPolarHBondContact O-CG 3.48Å; Q1212-M1216 PolarHBondContact O-N 3.14Å |
| 1213 | A | 56.1 | Low | 58.7 | Low | 11 Ų | 11 | 42.6 Ų | 42.6 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -41.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1209 A1210 M1216 Q1217 | N1209-A1213 PolarHBondContact O-N 3.34Å; A1210-A1213 PolarHBondContact O-N 2.94Å; A1213-M1216 PolarHBondContact O-N 3.22Å; A1213-Q1217 VanDerWaalsContact O-CG 3.32Å; A1213-Q1217 WeakPolarHBondContact O-CG 3.47Å; A1213-Q1217 PolarHBondContact O-N 3.45Å |
| 1214 | I | 52.6 | Low | 58 | Low | 28 Ų | 28 | 44.1 Ų | 44.1 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63 | -52.9 | 175.2 | -77.2 | 165.7 | 0 | 0 | 0 | 111.4 | H1153 A1210 G1211 Q1212 M1216 Q1217 C1218 | H1153-I1214 HydrophobicContact CB-CD1 4.14Å; H1153-I1214 HydrophobicContact CB-CG2 3.92Å; H1153-I1214 WeakPolarHBondContact ND1-CG2 3.21Å; A1210-I1214 WeakPolarHBondContact O-CB 3.42Å; A1210-I1214 WeakPolarHBondContact O-CD1 3.16Å; A1210-I1214 VanDerWaalsContact O-CG1 3.25Å; A1210-I1214 WeakPolarHBondContact O-CG1 3.36Å; A1210-I1214 PolarHBondContact O-N 3.41Å; G1211-I1214 PolarHBondContact O-N 3.41Å; Q1212-I1214 VanDerWaalsContact C-N 3.28Å; Q1212-I1214 PolarHBondContact O-N 3.45Å; I1214-M1216 PolarHBondContact O-N 3.15Å; I1214-Q1217 WeakPolarHBondContact O-CA 3.43Å; I1214-Q1217 WeakPolarHBondContact O-CB 3.47Å; I1214-Q1217 PolarHBondContact O-N 2.96Å; I1214-C1218 PolarHBondContact O-N 2.63Å; I1214-C1218 PolarHBondContact O-SG 3.19Å |
| 1215 | F | 63 | Low | 57.5 | Low | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.6 | -41.1 | 179 | 177.8 | -98.1 | 0 | 0 | 0 | 110.6 | L1156 L1196 L1199 L1203 G1211 Q1212 Q1217 C1218 L1219 L1222 L1247 L1250 | L1156-F1215 HydrophobicContact CD1-CD2 3.99Å; L1156-F1215 HydrophobicContact CD2-CD2 4.47Å; L1196-F1215 HydrophobicContact CD2-CE2 4.34Å; L1199-F1215 HydrophobicContact CD2-CD2 3.71Å; L1199-F1215 HydrophobicContact CD2-CE2 3.9Å; L1199-F1215 HydrophobicContact CG-CD2 4.34Å; L1199-F1215 HydrophobicContact CG-CE2 4.45Å; L1203-F1215 HydrophobicContact CD1-CB 3.52Å; L1203-F1215 HydrophobicContact CD1-CD1 3.63Å; L1203-F1215 HydrophobicContact CD1-CD2 3.9Å; L1203-F1215 HydrophobicContact CD1-CE1 4.3Å; L1203-F1215 HydrophobicContact CD1-CG 3.39Å; G1211-F1215 WeakPolarHBondContact O-CB 3.4Å; G1211-F1215 PolarHBondContact O-N 2.92Å; Q1212-F1215 PolarHBondContact O-N 2.78Å; F1215-Q1217 VanDerWaalsContact C-N 3.34Å; F1215-Q1217 PolarHBondContact O-N 3.14Å; F1215-C1218 CarbonylContact O-C 3.57Å; F1215-C1218 PolarHBondContact O-N 3.22Å; F1215-L1219 HydrophobicContact CD1-CD2 4.46Å; F1215-L1219 HydrophobicContact CD1-CG 4.38Å; F1215-L1219 HydrophobicContact CE1-CD2 3.77Å; F1215-L1219 HydrophobicContact CE1-CG 4.17Å; F1215-L1219 HydrophobicContact CZ-CD2 4.03Å; F1215-L1219 WeakPolarHBondContact O-CG 3.46Å; F1215-L1219 PolarHBondContact O-N 3.44Å; F1215-L1219 VanDerWaalsContact O-N 3.13Å; F1215-L1222 HydrophobicContact CD2-CD1 4.44Å; F1215-L1222 HydrophobicContact CE2-CD1 3.8Å; F1215-L1222 HydrophobicContact CZ-CD1 4.19Å; F1215-L1247 HydrophobicContact CE1-CD2 4.46Å; F1215-L1247 HydrophobicContact CZ-CD2 4.39Å; F1215-L1250 HydrophobicContact CD1-CD2 3.94Å; F1215-L1250 HydrophobicContact CE1-CD2 3.63Å |
| 1216 | M | 63.7 | Low | 57.3 | Low | 12 Ų | 12 | 34.7 Ų | 34.7 | 6% | 0.059 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.1 | -32.3 | 176.8 | -65.8 | -60.6 | -62.1 | 0 | 0 | 113.2 | Q1212 A1213 I1214 L1219 L1254 R1268 V1272 | Q1212-M1216 WeakPolarHBondContact O-CB 3.49Å; Q1212-M1216 WeakPolarHBondContact O-CG 3.48Å; Q1212-M1216 PolarHBondContact O-N 3.14Å; A1213-M1216 PolarHBondContact O-N 3.22Å; I1214-M1216 PolarHBondContact O-N 3.15Å; M1216-L1219 HydrophobicContact CB-CD1 4.46Å; M1216-L1219 HydrophobicContact CE-CD1 3.5Å; M1216-L1219 VanDerWaalsContact CE-CD1 3.5Å; M1216-L1219 HydrophobicContact CG-CD1 4.48Å; M1216-L1219 HydrophobicContact SD-CD1 3.34Å; M1216-L1219 WeakPolarHBondContact SD-CD1 3.28Å; M1216-L1219 HydrophobicContact SD-CG 4.46Å; M1216-L1254 HydrophobicContact CE-CD1 3.61Å; M1216-L1254 HydrophobicContact CG-CD1 4.41Å; M1216-L1254 HydrophobicContact SD-CD1 3.56Å; M1216-L1254 VanDerWaalsContact SD-CD1 3.56Å; M1216-R1268 HydrophobicContact CB-CG 4.42Å; M1216-R1268 HydrophobicContact CE-CB 3.38Å; M1216-R1268 HydrophobicContact CE-CG 3.78Å; M1216-R1268 WeakPolarHBondContact CE-O 3.46Å; M1216-V1272 HydrophobicContact CE-CG2 3.47Å; M1216-V1272 VanDerWaalsContact CE-CG2 3.47Å; M1216-V1272 HydrophobicContact SD-CG2 3.91Å |
| 1217 | Q | 57.1 | Low | 57 | Low | 97 Ų | 97 | 36.7 Ų | 36.7 | 45% | 0.453 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.1 | -41.2 | 171.5 | -77.4 | 173.8 | 7.3 | 0 | 0 | 111.1 | A1213 I1214 F1215 L1219 | A1213-Q1217 VanDerWaalsContact O-CG 3.32Å; A1213-Q1217 WeakPolarHBondContact O-CG 3.47Å; A1213-Q1217 PolarHBondContact O-N 3.45Å; I1214-Q1217 WeakPolarHBondContact O-CA 3.43Å; I1214-Q1217 WeakPolarHBondContact O-CB 3.47Å; I1214-Q1217 PolarHBondContact O-N 2.96Å; F1215-Q1217 VanDerWaalsContact C-N 3.34Å; F1215-Q1217 PolarHBondContact O-N 3.14Å; Q1217-L1219 VanDerWaalsContact C-N 3.25Å; Q1217-L1219 PolarHBondContact O-N 3.05Å |
| 1218 | C | 58.7 | Low | 57.2 | Low | 10 Ų | 10 | 30.7 Ų | 30.7 | 7% | 0.068 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -5 | 178.8 | -63.3 | 0 | 0 | 0 | 0 | 114.3 | I1214 F1215 E1221 L1222 | I1214-C1218 PolarHBondContact O-N 2.63Å; I1214-C1218 PolarHBondContact O-SG 3.19Å; F1215-C1218 CarbonylContact O-C 3.57Å; F1215-C1218 PolarHBondContact O-N 3.22Å; C1218-E1221 WeakPolarHBondContact CA-OE2 3.46Å; C1218-E1221 PolarHBondContact O-N 3.19Å; C1218-L1222 WeakPolarHBondContact O-CG 3.43Å; C1218-L1222 PolarHBondContact O-N 3.46Å |
| 1219 | L | 62.9 | Low | 57.3 | Low | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.8 | -37.7 | -176.5 | -84.8 | 173 | 0 | 0 | 0 | 112.7 | F1215 M1216 Q1217 E1221 L1222 I1223 L1247 T1271 V1272 L1275 | F1215-L1219 HydrophobicContact CD1-CD2 4.46Å; F1215-L1219 HydrophobicContact CD1-CG 4.38Å; F1215-L1219 HydrophobicContact CE1-CD2 3.77Å; F1215-L1219 HydrophobicContact CE1-CG 4.17Å; F1215-L1219 HydrophobicContact CZ-CD2 4.03Å; F1215-L1219 WeakPolarHBondContact O-CG 3.46Å; F1215-L1219 PolarHBondContact O-N 3.44Å; F1215-L1219 VanDerWaalsContact O-N 3.13Å; M1216-L1219 HydrophobicContact CB-CD1 4.46Å; M1216-L1219 HydrophobicContact CE-CD1 3.5Å; M1216-L1219 VanDerWaalsContact CE-CD1 3.5Å; M1216-L1219 HydrophobicContact CG-CD1 4.48Å; M1216-L1219 HydrophobicContact SD-CD1 3.34Å; M1216-L1219 WeakPolarHBondContact SD-CD1 3.28Å; M1216-L1219 HydrophobicContact SD-CG 4.46Å; Q1217-L1219 VanDerWaalsContact C-N 3.25Å; Q1217-L1219 PolarHBondContact O-N 3.05Å; L1219-E1221 PolarHBondContact O-N 3.32Å; L1219-L1222 HydrophobicContact CD2-CD1 4.32Å; L1219-L1222 PolarHBondContact O-N 2.93Å; L1219-I1223 WeakPolarHBondContact O-CG1 3.28Å; L1219-I1223 PolarHBondContact O-N 2.66Å; L1219-L1247 HydrophobicContact CD2-CD2 4.49Å; L1219-T1271 HydrophobicContact CB-CG2 3.83Å; L1219-T1271 HydrophobicContact CD1-CG2 4.38Å; L1219-V1272 HydrophobicContact CD1-CG2 3.39Å; L1219-L1275 HydrophobicContact CD2-CD2 3.47Å; L1219-L1275 VanDerWaalsContact CD2-CD2 3.47Å |
| 1220 | D | 56.9 | Low | 57.7 | Low | 93 Ų | 93 | 35 Ų | 35 | 50% | 0.497 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.3 | -33.1 | 178.2 | -78.3 | -18.6 | 0 | 0 | 0 | 110.2 | I1223 T1271 | D1220-I1223 WeakPolarHBondContact O-CB 3.38Å; D1220-T1271 WeakPolarHBondContact OD1-CG2 3.43Å |
| 1221 | E | 59.5 | Low | 58 | Low | 59 Ų | 59 | 33.1 Ų | 33.1 | 28% | 0.276 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -84.1 | -36 | 178.9 | -58.9 | 82.2 | -178.1 | 0 | 0 | 112.3 | E1160 C1218 L1219 I1223 C1224 | E1160-E1221 HydrophobicContact CG-CB 3.85Å; E1160-E1221 HydrophobicContact CG-CG 4.1Å; C1218-E1221 WeakPolarHBondContact CA-OE2 3.46Å; C1218-E1221 PolarHBondContact O-N 3.19Å; L1219-E1221 PolarHBondContact O-N 3.32Å; E1221-I1223 PolarHBondContact O-N 3.09Å; E1221-C1224 VanDerWaalsContact O-CB 3.29Å; E1221-C1224 WeakPolarHBondContact O-CB 3.45Å; E1221-C1224 PolarHBondContact O-N 3.07Å |
| 1222 | L | 61 | Low | 58.3 | Low | 10 Ų | 10 | 33.3 Ų | 33.3 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.5 | -32.3 | 170.4 | -76.3 | 171.7 | 0 | 0 | 0 | 111.4 | L1156 L1159 L1196 F1215 C1218 L1219 C1224 I1225 F1226 | L1156-L1222 HydrophobicContact CD2-CD1 4.43Å; L1159-L1222 HydrophobicContact CD2-CD2 4.1Å; L1196-L1222 HydrophobicContact CD1-CD2 4.37Å; L1196-L1222 HydrophobicContact CD2-CD1 4.33Å; L1196-L1222 HydrophobicContact CD2-CD2 4.24Å; F1215-L1222 HydrophobicContact CD2-CD1 4.44Å; F1215-L1222 HydrophobicContact CE2-CD1 3.8Å; F1215-L1222 HydrophobicContact CZ-CD1 4.19Å; C1218-L1222 WeakPolarHBondContact O-CG 3.43Å; C1218-L1222 PolarHBondContact O-N 3.46Å; L1219-L1222 HydrophobicContact CD2-CD1 4.32Å; L1219-L1222 PolarHBondContact O-N 2.93Å; L1222-C1224 PolarHBondContact O-N 3.46Å; L1222-I1225 HydrophobicContact CD2-CD1 3.59Å; L1222-I1225 WeakPolarHBondContact O-CB 3.4Å; L1222-I1225 PolarHBondContact O-N 3.47Å; L1222-I1225 VanDerWaalsContact O-N 3.15Å; L1222-F1226 WeakPolarHBondContact O-CD2 3.31Å |
| 1223 | I | 60.3 | Low | 58.4 | Low | 20 Ų | 20 | 43.5 Ų | 43.5 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -51.7 | -40.9 | 172.5 | -71.4 | 166.8 | 0 | 0 | 0 | 110.1 | L1219 D1220 E1221 I1225 F1226 T1227 I1274 L1275 Y1278 | L1219-I1223 WeakPolarHBondContact O-CG1 3.28Å; L1219-I1223 PolarHBondContact O-N 2.66Å; D1220-I1223 WeakPolarHBondContact O-CB 3.38Å; E1221-I1223 PolarHBondContact O-N 3.09Å; I1223-I1225 VanDerWaalsContact C-N 3.33Å; I1223-I1225 PolarHBondContact O-N 3.38Å; I1223-F1226 CarbonylContact O-C 3.42Å; I1223-F1226 VanDerWaalsContact O-C 3.32Å; I1223-F1226 WeakPolarHBondContact O-CA 3.45Å; I1223-F1226 PolarHBondContact O-N 2.91Å; I1223-T1227 HydrophobicContact CG2-CG2 4Å; I1223-T1227 WeakPolarHBondContact O-CG2 3.34Å; I1223-T1227 PolarHBondContact O-N 3.33Å; I1223-I1274 HydrophobicContact CD1-CG2 4.05Å; I1223-L1275 HydrophobicContact CB-CD1 4.12Å; I1223-L1275 HydrophobicContact CD1-CB 4.18Å; I1223-L1275 HydrophobicContact CG1-CB 3.76Å; I1223-L1275 HydrophobicContact CG1-CD1 3.42Å; I1223-L1275 VanDerWaalsContact CG1-CD1 3.42Å; I1223-L1275 HydrophobicContact CG1-CG 4.12Å; I1223-Y1278 HydrophobicContact CG2-CD2 4.4Å |
| 1224 | C | 55.1 | Low | 58.6 | Low | 40 Ų | 40 | 47.6 Ų | 47.6 | 27% | 0.27 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.1 | -36.9 | -177.8 | -68.8 | 0 | 0 | 0 | 0 | 113.4 | F1164 E1221 L1222 F1226 T1227 | F1164-C1224 HydrophobicContact CD2-CB 4.42Å; E1221-C1224 VanDerWaalsContact O-CB 3.29Å; E1221-C1224 WeakPolarHBondContact O-CB 3.45Å; E1221-C1224 PolarHBondContact O-N 3.07Å; L1222-C1224 PolarHBondContact O-N 3.46Å; C1224-F1226 PolarHBondContact O-N 3.04Å; C1224-T1227 WeakPolarHBondContact CA-OG1 3.24Å; C1224-T1227 PolarHBondContact O-N 2.97Å; C1224-T1227 PolarHBondContact O-OG1 2.82Å |
| 1225 | I | 59 | Low | 59.1 | Low | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.4 | -45.1 | 174.7 | -54.8 | 178.6 | 0 | 0 | 0 | 109.7 | L1159 F1163 M1189 L1222 I1223 T1227 L1231 | L1159-I1225 HydrophobicContact CD2-CD1 3.34Å; F1163-I1225 HydrophobicContact CB-CG1 4.17Å; F1163-I1225 HydrophobicContact CD1-CG1 4.28Å; F1163-I1225 HydrophobicContact CD1-CG2 4.4Å; F1163-I1225 HydrophobicContact CD2-CD1 3.51Å; F1163-I1225 HydrophobicContact CD2-CG1 3.6Å; F1163-I1225 HydrophobicContact CE1-CG2 4.04Å; F1163-I1225 HydrophobicContact CE2-CD1 3.67Å; F1163-I1225 HydrophobicContact CE2-CG1 4.02Å; F1163-I1225 HydrophobicContact CE2-CG2 4.21Å; F1163-I1225 HydrophobicContact CG-CD1 4.23Å; F1163-I1225 HydrophobicContact CG-CG1 3.78Å; F1163-I1225 HydrophobicContact CZ-CD1 4.44Å; F1163-I1225 HydrophobicContact CZ-CG2 3.97Å; M1189-I1225 HydrophobicContact CE-CG2 4.26Å; M1189-I1225 HydrophobicContact SD-CG2 4.32Å; L1222-I1225 HydrophobicContact CD2-CD1 3.59Å; L1222-I1225 WeakPolarHBondContact O-CB 3.4Å; L1222-I1225 PolarHBondContact O-N 3.47Å; L1222-I1225 VanDerWaalsContact O-N 3.15Å; I1223-I1225 VanDerWaalsContact C-N 3.33Å; I1223-I1225 PolarHBondContact O-N 3.38Å; I1225-T1227 VanDerWaalsContact C-N 3.26Å; I1225-T1227 PolarHBondContact O-N 3.48Å; I1225-L1231 HydrophobicContact CG2-CD1 4.28Å |
| 1226 | F | 60.6 | Low | 59.2 | Low | 5 Ų | 5 | 53.1 Ų | 53.1 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 8.1 | 179 | -59.4 | -71.4 | 0 | 0 | 0 | 113.6 | L1196 L1222 I1223 C1224 F1232 L1243 L1275 I1279 A1282 | L1196-F1226 HydrophobicContact CD1-CE2 4.49Å; L1196-F1226 HydrophobicContact CD1-CZ 4.22Å; L1222-F1226 WeakPolarHBondContact O-CD2 3.31Å; I1223-F1226 CarbonylContact O-C 3.42Å; I1223-F1226 VanDerWaalsContact O-C 3.32Å; I1223-F1226 WeakPolarHBondContact O-CA 3.45Å; I1223-F1226 PolarHBondContact O-N 2.91Å; C1224-F1226 PolarHBondContact O-N 3.04Å; F1226-F1232 VanDerWaalsContact C-CE2 3.41Å; F1226-F1232 VanDerWaalsContact C-CZ 3.45Å; F1226-F1232 HydrophobicContact CB-CZ 3.72Å; F1226-F1232 AromaticContact CD1-CE1 3.97Å; F1226-F1232 HydrophobicContact CD1-CE1 3.97Å; F1226-F1232 AromaticContact CD1-CZ 3.96Å; F1226-F1232 HydrophobicContact CD1-CZ 3.96Å; F1226-F1232 HydrophobicContact CG-CZ 4.35Å; F1226-F1232 WeakPolarHBondContact O-CE2 3.29Å; F1226-F1232 WeakPolarHBondContact O-CZ 3.31Å; F1226-L1243 HydrophobicContact CE1-CD2 4.31Å; F1226-L1243 HydrophobicContact CZ-CD2 3.81Å; F1226-L1275 HydrophobicContact CD2-CD1 3.81Å; F1226-L1275 HydrophobicContact CE2-CD1 4.45Å; F1226-I1279 HydrophobicContact CB-CG1 3.82Å; F1226-I1279 HydrophobicContact CD1-CD1 4.35Å; F1226-I1279 HydrophobicContact CD1-CG1 3.95Å; F1226-I1279 HydrophobicContact CD2-CD1 4.03Å; F1226-I1279 HydrophobicContact CD2-CG1 3.98Å; F1226-I1279 HydrophobicContact CE1-CD1 4.46Å; F1226-I1279 HydrophobicContact CE2-CD1 4.15Å; F1226-I1279 HydrophobicContact CG-CD1 4.14Å; F1226-I1279 HydrophobicContact CG-CG1 3.65Å; F1226-I1279 HydrophobicContact CZ-CD1 4.37Å; F1226-A1282 WeakPolarHBondContact O-CB 3.14Å |
| 1227 | T | 54.5 | Low | 59.2 | Low | 71 Ų | 71 | 53 Ų | 53 | 44% | 0.436 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -12.3 | 169 | 60.1 | 0 | 0 | 0 | 0 | 113.4 | I1223 C1224 I1225 P1229 | I1223-T1227 HydrophobicContact CG2-CG2 4Å; I1223-T1227 WeakPolarHBondContact O-CG2 3.34Å; I1223-T1227 PolarHBondContact O-N 3.33Å; C1224-T1227 WeakPolarHBondContact CA-OG1 3.24Å; C1224-T1227 PolarHBondContact O-N 2.97Å; C1224-T1227 PolarHBondContact O-OG1 2.82Å; I1225-T1227 VanDerWaalsContact C-N 3.26Å; I1225-T1227 PolarHBondContact O-N 3.48Å; T1227-P1229 VanDerWaalsContact O-CD 3.3Å; T1227-P1229 WeakPolarHBondContact O-CD 3.21Å |
| 1228 | R | 57.9 | Low | 59.7 | Low | 35 Ų | 35 | 51.7 Ų | 51.7 | 13% | 0.132 | 25% | 0.253 | C | S | . | . | trans | -91.3 | 108.8 | -173.2 | -63.7 | -153.9 | 174.8 | 179 | 1.8 | 112.1 | F1163 S1166 D1167 C1182 F1230 L1231 F1232 | F1163-R1228 PolarHBondContact O-NH2 3.36Å; S1166-R1228 PolarHBondContact OG-NH1 3.34Å; S1166-R1228 PolarHBondContact OG-NH2 3.37Å; D1167-R1228 IonicContact OD1-CZ 2.62Å; D1167-R1228 IonicContact OD1-NH1 3.2Å; D1167-R1228 IonicContact OD1-NH2 2.78Å; D1167-R1228 PolarHBondContact OD1-NH2 3.14Å; D1167-R1228 IonicContact OD2-CZ 3.09Å; D1167-R1228 IonicContact OD2-NH2 3.11Å; D1167-R1228 PolarHBondContact OD2-NH2 2.94Å; C1182-R1228 PolarHBondContact SG-NH1 3.03Å; R1228-F1230 VanDerWaalsContact C-N 3.26Å; R1228-F1230 HydrophobicContact CB-CD1 4.26Å; R1228-F1230 HydrophobicContact CB-CE1 3.81Å; R1228-F1230 HydrophobicContact CB-CZ 4.15Å; R1228-F1230 HydrophobicContact CG-CE1 4.32Å; R1228-F1230 PolarHBondContact O-N 3.09Å; R1228-F1230 VanDerWaalsContact O-N 3.09Å; R1228-L1231 HydrophobicContact CB-CD1 4.08Å; R1228-L1231 HydrophobicContact CB-CG 4.31Å; R1228-L1231 PolarHBondContact O-N 3.46Å; R1228-F1232 VanDerWaalsContact O-CD2 3.28Å; R1228-F1232 WeakPolarHBondContact O-CD2 3.27Å | ||
| 1229 | P | 56.5 | Low | 60.3 | Low | 101 Ų | 101 | 53.6 Ų | 53.6 | 66% | 0.656 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -29.7 | -169.9 | -24 | 34.2 | 0 | 0 | 0 | 114.8 | T1227 F1232 | T1227-P1229 VanDerWaalsContact O-CD 3.3Å; T1227-P1229 WeakPolarHBondContact O-CD 3.21Å; P1229-F1232 PolarHBondContact O-N 3.27Å |
| 1230 | F | 58 | Low | 61 | Low | 78 Ų | 78 | 53.7 Ų | 53.7 | 34% | 0.342 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -30.4 | -177.2 | 64.2 | -93.8 | 0 | 0 | 0 | 113.1 | C1182 R1228 F1232 R1233 | C1182-F1230 HydrophobicContact CB-CE2 3.7Å; C1182-F1230 HydrophobicContact CB-CZ 3.6Å; R1228-F1230 VanDerWaalsContact C-N 3.26Å; R1228-F1230 HydrophobicContact CB-CD1 4.26Å; R1228-F1230 HydrophobicContact CB-CE1 3.81Å; R1228-F1230 HydrophobicContact CB-CZ 4.15Å; R1228-F1230 HydrophobicContact CG-CE1 4.32Å; R1228-F1230 PolarHBondContact O-N 3.09Å; R1228-F1230 VanDerWaalsContact O-N 3.09Å; F1230-F1232 PolarHBondContact O-N 3.05Å; F1230-R1233 PolarHBondContact O-N 3.4Å |
| 1231 | L | 57 | Low | 62.2 | Low | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -68.4 | -27.2 | 176.4 | -66.5 | 176.8 | 0 | 0 | 0 | 111.7 | F1163 L1185 P1186 M1189 I1225 R1228 R1233 E1234 | F1163-L1231 HydrophobicContact CD1-CD1 4.12Å; F1163-L1231 HydrophobicContact CE1-CD1 3.63Å; L1185-L1231 HydrophobicContact CB-CD2 4.03Å; P1186-L1231 HydrophobicContact CG-CD2 4.16Å; M1189-L1231 HydrophobicContact CE-CB 4.33Å; M1189-L1231 HydrophobicContact CG-CB 4.33Å; M1189-L1231 HydrophobicContact CG-CD2 4.19Å; M1189-L1231 HydrophobicContact SD-CB 4.26Å; M1189-L1231 HydrophobicContact SD-CD1 4.32Å; M1189-L1231 HydrophobicContact SD-CD2 4.34Å; I1225-L1231 HydrophobicContact CG2-CD1 4.28Å; R1228-L1231 HydrophobicContact CB-CD1 4.08Å; R1228-L1231 HydrophobicContact CB-CG 4.31Å; R1228-L1231 PolarHBondContact O-N 3.46Å; L1231-R1233 VanDerWaalsContact C-N 3.26Å; L1231-R1233 PolarHBondContact O-N 3.43Å; L1231-E1234 PolarHBondContact O-N 2.99Å |
| 1232 | F | 56.9 | Low | 63.2 | Low | 13 Ų | 13 | 48.5 Ų | 48.5 | 6% | 0.057 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -71.3 | -16.4 | 179.7 | -74.5 | -74.1 | 0 | 0 | 0 | 114.6 | F1226 R1228 P1229 F1230 E1234 V1235 A1282 V1283 | F1226-F1232 VanDerWaalsContact C-CE2 3.41Å; F1226-F1232 VanDerWaalsContact C-CZ 3.45Å; F1226-F1232 HydrophobicContact CB-CZ 3.72Å; F1226-F1232 AromaticContact CD1-CE1 3.97Å; F1226-F1232 HydrophobicContact CD1-CE1 3.97Å; F1226-F1232 AromaticContact CD1-CZ 3.96Å; F1226-F1232 HydrophobicContact CD1-CZ 3.96Å; F1226-F1232 HydrophobicContact CG-CZ 4.35Å; F1226-F1232 WeakPolarHBondContact O-CE2 3.29Å; F1226-F1232 WeakPolarHBondContact O-CZ 3.31Å; R1228-F1232 VanDerWaalsContact O-CD2 3.28Å; R1228-F1232 WeakPolarHBondContact O-CD2 3.27Å; P1229-F1232 PolarHBondContact O-N 3.27Å; F1230-F1232 PolarHBondContact O-N 3.05Å; F1232-E1234 PolarHBondContact O-N 3.1Å; F1232-V1235 HydrophobicContact CD1-CB 4.44Å; F1232-V1235 HydrophobicContact CD1-CG2 4.16Å; F1232-V1235 PolarHBondContact O-N 3.16Å; F1232-A1282 HydrophobicContact CD2-CB 4.38Å; F1232-A1282 HydrophobicContact CE1-CB 4.44Å; F1232-A1282 HydrophobicContact CE2-CB 3.59Å; F1232-A1282 HydrophobicContact CZ-CB 3.6Å; F1232-V1283 HydrophobicContact CD1-CB 4.39Å; F1232-V1283 HydrophobicContact CD1-CG2 3.45Å; F1232-V1283 VanDerWaalsContact CD1-CG2 3.45Å; F1232-V1283 HydrophobicContact CE1-CG2 3.37Å; F1232-V1283 HydrophobicContact CG-CG2 4.46Å; F1232-V1283 HydrophobicContact CZ-CG2 4.33Å |
| 1233 | R | 58.9 | Low | 64.2 | Low | 222 Ų | 222 | 48.1 Ų | 48.1 | 84% | 0.838 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -62.8 | -28.7 | 176.8 | -71.6 | -173.7 | 174.6 | -174 | -0.9 | 112.6 | F1230 L1231 | F1230-R1233 PolarHBondContact O-N 3.4Å; L1231-R1233 VanDerWaalsContact C-N 3.26Å; L1231-R1233 PolarHBondContact O-N 3.43Å |
| 1234 | E | 60 | Low | 65.2 | Low | 97 Ų | 97 | 47.2 Ų | 47.2 | 45% | 0.453 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -92.1 | -5.5 | 179.4 | -60.6 | -56.7 | 144.1 | 0 | 0 | 113.4 | P1186 M1189 L1231 F1232 K1236 | P1186-E1234 HydrophobicContact CB-CG 3.59Å; M1189-E1234 HydrophobicContact CB-CB 4.47Å; L1231-E1234 PolarHBondContact O-N 2.99Å; F1232-E1234 PolarHBondContact O-N 3.1Å; E1234-K1236 PolarHBondContact O-N 3.24Å |
| 1235 | V | 63 | Low | 66.5 | Low | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | trans | -83.1 | 105.6 | -175.2 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | M1189 I1193 F1232 L1240 | M1189-V1235 HydrophobicContact CE-CG2 4.04Å; I1193-V1235 HydrophobicContact CD1-CB 4.16Å; I1193-V1235 HydrophobicContact CD1-CG1 3.54Å; I1193-V1235 HydrophobicContact CD1-CG2 3.71Å; F1232-V1235 HydrophobicContact CD1-CB 4.44Å; F1232-V1235 HydrophobicContact CD1-CG2 4.16Å; F1232-V1235 PolarHBondContact O-N 3.16Å; V1235-L1240 HydrophobicContact CG1-CB 4.03Å; V1235-L1240 HydrophobicContact CG1-CD1 4.14Å; V1235-L1240 HydrophobicContact CG1-CD2 3.88Å; V1235-L1240 HydrophobicContact CG1-CG 4.23Å | ||
| 1236 | K | 65.4 | Low | 67.5 | Low | 145 Ų | 145 | 45.2 Ų | 45.2 | 63% | 0.63 | 22% | 0.215 | S | C | * | . | trans | -79.1 | 142.1 | 174.5 | -65.1 | -179.4 | -178.9 | 178 | 0 | 111.5 | E1234 D1238 N1239 L1240 | E1234-K1236 PolarHBondContact O-N 3.24Å; K1236-D1238 PolarHBondContact O-N 3.05Å; K1236-D1238 VanDerWaalsContact O-N 3.12Å; K1236-N1239 PolarHBondContact O-N 3.32Å; K1236-L1240 PolarHBondContact O-N 3.41Å | ||
| 1237 | A | 64.2 | Low | 68.5 | Low | 10 Ų | 10 | 45.1 Ų | 45.1 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.4 | -30 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1239 K1241 I1287 V1291 | A1237-N1239 PolarHBondContact O-N 2.97Å; A1237-K1241 PolarHBondContact O-N 2.71Å; A1237-I1287 HydrophobicContact CB-CG2 4.19Å; A1237-V1291 HydrophobicContact CB-CG2 3.82Å |
| 1238 | D | 68.6 | Low | 69.5 | Low | 68 Ų | 68 | 41.8 Ų | 41.8 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.2 | -36.7 | -175.3 | -63.9 | -42.3 | 0 | 0 | 0 | 113.8 | K1236 K1241 Y1242 R1294 | K1236-D1238 PolarHBondContact O-N 3.05Å; K1236-D1238 VanDerWaalsContact O-N 3.12Å; D1238-K1241 WeakPolarHBondContact O-CG 3.44Å; D1238-K1241 PolarHBondContact O-NZ 3.43Å; D1238-K1241 IonicContact OD1-NZ 3.49Å; D1238-Y1242 WeakPolarHBondContact O-CD2 3.48Å; D1238-R1294 IonicContact OD1-CZ 3.88Å; D1238-R1294 IonicContact OD1-NH1 2.71Å; D1238-R1294 PolarHBondContact OD1-NH1 3.15Å; D1238-R1294 IonicContact OD1-NH2 3.5Å; D1238-R1294 PolarHBondContact OD1-NH2 3.07Å |
| 1239 | N | 70.5 | Confident | 70.5 | Confident | 51 Ų | 51 | 40.3 Ų | 40.3 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -90.1 | -36.5 | 180 | -65.2 | -0.5 | 0 | 0 | 0 | 111 | I1193 K1236 A1237 K1241 Y1242 | I1193-N1239 HydrophobicContact CG2-CB 3.79Å; K1236-N1239 PolarHBondContact O-N 3.32Å; A1237-N1239 PolarHBondContact O-N 2.97Å; N1239-K1241 VanDerWaalsContact C-N 3.28Å; N1239-K1241 PolarHBondContact O-N 2.89Å; N1239-Y1242 PolarHBondContact O-N 3.15Å |
| 1240 | L | 77.5 | Confident | 71.4 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -31.3 | -173.7 | -170.5 | 63.1 | 0 | 0 | 0 | 112.8 | V1235 K1236 Y1242 L1243 L1244 I1279 V1283 V1291 | V1235-L1240 HydrophobicContact CG1-CB 4.03Å; V1235-L1240 HydrophobicContact CG1-CD1 4.14Å; V1235-L1240 HydrophobicContact CG1-CD2 3.88Å; V1235-L1240 HydrophobicContact CG1-CG 4.23Å; K1236-L1240 PolarHBondContact O-N 3.41Å; L1240-Y1242 VanDerWaalsContact C-N 3.34Å; L1240-Y1242 PolarHBondContact O-N 3.35Å; L1240-L1243 HydrophobicContact CD1-CD2 4.36Å; L1240-L1243 PolarHBondContact O-N 3.09Å; L1240-L1244 HydrophobicContact CD1-CD1 4.48Å; L1240-L1244 HydrophobicContact CD2-CD1 4.36Å; L1240-L1244 HydrophobicContact CG-CD1 3.93Å; L1240-L1244 PolarHBondContact O-N 2.92Å; L1240-I1279 HydrophobicContact CD1-CG2 3.97Å; L1240-I1279 HydrophobicContact CD2-CG2 4.31Å; L1240-V1283 HydrophobicContact CD2-CG1 4.41Å; L1240-V1283 HydrophobicContact CD2-CG2 3.83Å; L1240-V1291 HydrophobicContact CB-CG2 4.22Å; L1240-V1291 HydrophobicContact CD2-CG2 4.29Å; L1240-V1291 HydrophobicContact CG-CG2 4.48Å |
| 1241 | K | 81.2 | Confident | 72.1 | Confident | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.035 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.2 | -42.9 | 177.9 | 67.2 | -175.3 | -167.7 | -94.2 | 0 | 112.6 | A1237 D1238 N1239 G1245 V1291 R1294 L1295 I1298 D1304 | A1237-K1241 PolarHBondContact O-N 2.71Å; D1238-K1241 WeakPolarHBondContact O-CG 3.44Å; D1238-K1241 PolarHBondContact O-NZ 3.43Å; D1238-K1241 IonicContact OD1-NZ 3.49Å; N1239-K1241 VanDerWaalsContact C-N 3.28Å; N1239-K1241 PolarHBondContact O-N 2.89Å; K1241-G1245 PolarHBondContact O-N 3.2Å; K1241-V1291 HydrophobicContact CB-CG1 3.87Å; K1241-R1294 HydrophobicContact CD-CB 4.08Å; K1241-L1295 HydrophobicContact CB-CG 4.21Å; K1241-L1295 WeakPolarHBondContact O-CD2 3.31Å; K1241-I1298 HydrophobicContact CD-CD1 4.26Å; K1241-D1304 WeakPolarHBondContact CE-OD2 3.46Å; K1241-D1304 IonicContact NZ-OD2 3.26Å; K1241-D1304 PolarHBondContact NZ-OD2 3.24Å |
| 1242 | Y | 82 | Confident | 72.7 | Confident | 34 Ų | 34 | 32.3 Ų | 32.3 | 13% | 0.133 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.7 | -38.6 | -179.4 | -64 | -69.9 | 0 | 0 | 0 | 111.8 | D1238 N1239 L1240 L1244 G1245 S1246 F1330 L1332 | D1238-Y1242 WeakPolarHBondContact O-CD2 3.48Å; N1239-Y1242 PolarHBondContact O-N 3.15Å; L1240-Y1242 VanDerWaalsContact C-N 3.34Å; L1240-Y1242 PolarHBondContact O-N 3.35Å; Y1242-L1244 PolarHBondContact O-N 2.73Å; Y1242-G1245 PolarHBondContact O-N 3.28Å; Y1242-S1246 VanDerWaalsContact O-CB 3.27Å; Y1242-S1246 WeakPolarHBondContact O-CB 3.45Å; Y1242-S1246 PolarHBondContact O-N 3.43Å; Y1242-S1246 PolarHBondContact O-OG 3.37Å; Y1242-F1330 HydrophobicContact CD1-CB 3.87Å; Y1242-F1330 WeakPolarHBondContact CD1-O 3.28Å; Y1242-F1330 HydrophobicContact CD2-CB 3.87Å; Y1242-F1330 HydrophobicContact CD2-CD1 4.47Å; Y1242-F1330 HydrophobicContact CD2-CG 4.23Å; Y1242-F1330 HydrophobicContact CE1-CB 3.9Å; Y1242-F1330 WeakPolarHBondContact CE1-O 3.23Å; Y1242-F1330 HydrophobicContact CE2-CB 3.9Å; Y1242-F1330 HydrophobicContact CE2-CG 4.44Å; Y1242-F1330 HydrophobicContact CG-CB 3.84Å; Y1242-F1330 HydrophobicContact CG-CG 4.46Å; Y1242-L1332 HydrophobicContact CD1-CD1 4.5Å; Y1242-L1332 HydrophobicContact CD1-CG 4.47Å |
| 1243 | L | 81.9 | Confident | 73.1 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.7 | -50.3 | 174.9 | -179.6 | 59.2 | 0 | 0 | 0 | 111.2 | I1193 L1196 T1197 F1226 L1240 G1245 S1246 L1247 | I1193-L1243 HydrophobicContact CG1-CD2 4.5Å; I1193-L1243 HydrophobicContact CG2-CB 4.16Å; I1193-L1243 HydrophobicContact CG2-CD2 4.14Å; L1196-L1243 HydrophobicContact CB-CD1 3.8Å; T1197-L1243 WeakPolarHBondContact OG1-CA 2.95Å; T1197-L1243 WeakPolarHBondContact OG1-CB 3.25Å; T1197-L1243 PolarHBondContact OG1-N 3.18Å; F1226-L1243 HydrophobicContact CE1-CD2 4.31Å; F1226-L1243 HydrophobicContact CZ-CD2 3.81Å; L1240-L1243 HydrophobicContact CD1-CD2 4.36Å; L1240-L1243 PolarHBondContact O-N 3.09Å; L1243-G1245 PolarHBondContact O-N 3.3Å; L1243-S1246 PolarHBondContact O-N 3.06Å; L1243-L1247 HydrophobicContact CD1-CD1 4.25Å; L1243-L1247 HydrophobicContact CD1-CG 4.28Å; L1243-L1247 HydrophobicContact CG-CD1 4.09Å; L1243-L1247 WeakPolarHBondContact O-CB 3.45Å; L1243-L1247 WeakPolarHBondContact O-CG 3.43Å; L1243-L1247 PolarHBondContact O-N 3.37Å |
| 1244 | L | 81.2 | Confident | 73.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | -179.9 | -77.9 | 164.8 | 0 | 0 | 0 | 112 | L1240 Y1242 S1246 L1247 I1248 V1276 I1279 Y1280 V1291 L1295 | L1240-L1244 HydrophobicContact CD1-CD1 4.48Å; L1240-L1244 HydrophobicContact CD2-CD1 4.36Å; L1240-L1244 HydrophobicContact CG-CD1 3.93Å; L1240-L1244 PolarHBondContact O-N 2.92Å; Y1242-L1244 PolarHBondContact O-N 2.73Å; L1244-S1246 VanDerWaalsContact C-N 3.34Å; L1244-S1246 PolarHBondContact O-N 3.49Å; L1244-L1247 PolarHBondContact O-N 3.21Å; L1244-I1248 WeakPolarHBondContact O-CD1 3.16Å; L1244-I1248 VanDerWaalsContact O-CG1 3.25Å; L1244-I1248 WeakPolarHBondContact O-CG1 3.48Å; L1244-I1248 PolarHBondContact O-N 3.39Å; L1244-V1276 HydrophobicContact CD2-CB 4.37Å; L1244-V1276 HydrophobicContact CD2-CG1 4.05Å; L1244-V1276 HydrophobicContact CD2-CG2 4.27Å; L1244-I1279 HydrophobicContact CD1-CG2 4.22Å; L1244-I1279 HydrophobicContact CD2-CB 4.12Å; L1244-I1279 HydrophobicContact CD2-CD1 4.24Å; L1244-I1279 HydrophobicContact CD2-CG2 3.9Å; L1244-I1279 HydrophobicContact CG-CG2 4.29Å; L1244-Y1280 HydrophobicContact CD1-CD1 4.14Å; L1244-Y1280 HydrophobicContact CD1-CE1 3.5Å; L1244-Y1280 HydrophobicContact CD1-CE2 4.39Å; L1244-Y1280 HydrophobicContact CD2-CD2 4.45Å; L1244-Y1280 HydrophobicContact CD2-CE2 4.01Å; L1244-V1291 HydrophobicContact CD1-CG1 3.66Å; L1244-L1295 HydrophobicContact CB-CD1 4.1Å |
| 1245 | G | 81.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1241 Y1242 L1243 I1248 Q1249 | K1241-G1245 PolarHBondContact O-N 3.2Å; Y1242-G1245 PolarHBondContact O-N 3.28Å; L1243-G1245 PolarHBondContact O-N 3.3Å; G1245-I1248 PolarHBondContact O-N 3.38Å; G1245-Q1249 WeakPolarHBondContact O-CG 3.27Å; G1245-Q1249 PolarHBondContact O-N 3.33Å |
| 1246 | S | 81.5 | Confident | 72.2 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68 | -37.9 | -179.5 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | N1201 Y1242 L1243 L1244 Q1249 L1250 | N1201-S1246 WeakPolarHBondContact OD1-CB 3.46Å; N1201-S1246 PolarHBondContact OD1-OG 2.86Å; Y1242-S1246 VanDerWaalsContact O-CB 3.27Å; Y1242-S1246 WeakPolarHBondContact O-CB 3.45Å; Y1242-S1246 PolarHBondContact O-N 3.43Å; Y1242-S1246 PolarHBondContact O-OG 3.37Å; L1243-S1246 PolarHBondContact O-N 3.06Å; L1244-S1246 VanDerWaalsContact C-N 3.34Å; L1244-S1246 PolarHBondContact O-N 3.49Å; S1246-Q1249 PolarHBondContact O-N 3.33Å; S1246-L1250 WeakPolarHBondContact O-CB 3.48Å; S1246-L1250 PolarHBondContact O-N 3.49Å |
| 1247 | L | 80.8 | Confident | 71.2 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 173.2 | -76.3 | 170.6 | 0 | 0 | 0 | 111.7 | F1215 L1219 L1243 L1244 L1250 A1251 V1272 L1275 V1276 I1279 | F1215-L1247 HydrophobicContact CE1-CD2 4.46Å; F1215-L1247 HydrophobicContact CZ-CD2 4.39Å; L1219-L1247 HydrophobicContact CD2-CD2 4.49Å; L1243-L1247 HydrophobicContact CD1-CD1 4.25Å; L1243-L1247 HydrophobicContact CD1-CG 4.28Å; L1243-L1247 HydrophobicContact CG-CD1 4.09Å; L1243-L1247 WeakPolarHBondContact O-CB 3.45Å; L1243-L1247 WeakPolarHBondContact O-CG 3.43Å; L1243-L1247 PolarHBondContact O-N 3.37Å; L1244-L1247 PolarHBondContact O-N 3.21Å; L1247-L1250 PolarHBondContact O-N 2.84Å; L1247-A1251 WeakPolarHBondContact O-CB 3.49Å; L1247-A1251 PolarHBondContact O-N 3.28Å; L1247-V1272 HydrophobicContact CB-CG1 4.24Å; L1247-V1272 HydrophobicContact CD2-CG1 4.4Å; L1247-V1272 WeakPolarHBondContact O-CG1 3.3Å; L1247-L1275 HydrophobicContact CD1-CD2 4.06Å; L1247-L1275 HydrophobicContact CD2-CD2 4.29Å; L1247-V1276 HydrophobicContact CB-CG2 3.85Å; L1247-V1276 HydrophobicContact CD1-CG2 4.27Å; L1247-I1279 HydrophobicContact CD1-CD1 4.02Å |
| 1248 | I | 76.3 | Confident | 69.8 | Low | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.4 | -42.4 | 175.8 | -64.8 | 163.6 | 0 | 0 | 0 | 110.7 | L1244 G1245 L1250 A1251 E1252 M1273 V1276 V1342 L1345 | L1244-I1248 WeakPolarHBondContact O-CD1 3.16Å; L1244-I1248 VanDerWaalsContact O-CG1 3.25Å; L1244-I1248 WeakPolarHBondContact O-CG1 3.48Å; L1244-I1248 PolarHBondContact O-N 3.39Å; G1245-I1248 PolarHBondContact O-N 3.38Å; I1248-L1250 VanDerWaalsContact C-N 3.35Å; I1248-A1251 PolarHBondContact O-N 2.91Å; I1248-E1252 WeakPolarHBondContact O-CB 3.34Å; I1248-E1252 PolarHBondContact O-N 2.79Å; I1248-M1273 HydrophobicContact CG1-CE 4.14Å; I1248-V1276 HydrophobicContact CD1-CG1 4.43Å; I1248-V1276 HydrophobicContact CG1-CG1 4.3Å; I1248-V1276 HydrophobicContact CG1-CG2 4.29Å; I1248-V1342 HydrophobicContact CB-CG2 4.2Å; I1248-V1342 HydrophobicContact CG2-CB 4.32Å; I1248-V1342 HydrophobicContact CG2-CG2 3.78Å; I1248-L1345 HydrophobicContact CG2-CB 4.48Å; I1248-L1345 HydrophobicContact CG2-CD1 3.58Å |
| 1249 | Q | 77.6 | Confident | 68.4 | Low | 3 Ų | 3 | 36.8 Ų | 36.8 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 174.3 | -73 | -173.4 | -22.9 | 0 | 0 | 111.9 | Y1204 G1245 S1246 E1252 R1253 L1332 D1333 V1342 | Y1204-Q1249 HydrophobicContact CD2-CB 3.83Å; Y1204-Q1249 VanDerWaalsContact CD2-O 3.3Å; Y1204-Q1249 WeakPolarHBondContact CD2-O 3.41Å; Y1204-Q1249 HydrophobicContact CE2-CB 3.86Å; Y1204-Q1249 WeakPolarHBondContact CE2-O 3.46Å; Y1204-Q1249 HydrophobicContact CG-CB 4.41Å; G1245-Q1249 WeakPolarHBondContact O-CG 3.27Å; G1245-Q1249 PolarHBondContact O-N 3.33Å; S1246-Q1249 PolarHBondContact O-N 3.33Å; Q1249-E1252 PolarHBondContact O-N 3.35Å; Q1249-R1253 PolarHBondContact O-N 3.11Å; Q1249-L1332 HydrophobicContact CG-CD2 4.36Å; Q1249-D1333 PolarHBondContact NE2-O 3.14Å; Q1249-V1342 HydrophobicContact CG-CG2 3.63Å |
| 1250 | L | 75.5 | Confident | 66.7 | Low | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 175.6 | -175.7 | 63.7 | 0 | 0 | 0 | 111.4 | L1203 F1215 S1246 L1247 I1248 E1252 R1253 L1254 | L1203-L1250 HydrophobicContact CB-CD1 4.02Å; F1215-L1250 HydrophobicContact CD1-CD2 3.94Å; F1215-L1250 HydrophobicContact CE1-CD2 3.63Å; S1246-L1250 WeakPolarHBondContact O-CB 3.48Å; S1246-L1250 PolarHBondContact O-N 3.49Å; L1247-L1250 PolarHBondContact O-N 2.84Å; I1248-L1250 VanDerWaalsContact C-N 3.35Å; L1250-E1252 PolarHBondContact O-N 2.98Å; L1250-R1253 PolarHBondContact O-N 3.17Å; L1250-L1254 HydrophobicContact CG-CD1 4.37Å; L1250-L1254 VanDerWaalsContact O-CG 3.25Å; L1250-L1254 WeakPolarHBondContact O-CG 3.46Å; L1250-L1254 PolarHBondContact O-N 3.2Å |
| 1251 | A | 72.1 | Confident | 64.8 | Low | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -36.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1247 I1248 Q1255 V1272 M1273 | L1247-A1251 WeakPolarHBondContact O-CB 3.49Å; L1247-A1251 PolarHBondContact O-N 3.28Å; I1248-A1251 PolarHBondContact O-N 2.91Å; A1251-Q1255 PolarHBondContact O-N 3.34Å; A1251-Q1255 VanDerWaalsContact O-N 3.13Å; A1251-V1272 HydrophobicContact CB-CB 4.1Å; A1251-V1272 HydrophobicContact CB-CG1 3.79Å; A1251-M1273 HydrophobicContact CB-CE 4.04Å |
| 1252 | E | 69.6 | Low | 62.8 | Low | 9 Ų | 9 | 46.3 Ų | 46.3 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.9 | -36.6 | 178.7 | -176.5 | -114.5 | 179.6 | 0 | 0 | 112.7 | I1248 Q1249 L1250 L1254 Q1255 L1256 I1337 S1338 K1341 | I1248-E1252 WeakPolarHBondContact O-CB 3.34Å; I1248-E1252 PolarHBondContact O-N 2.79Å; Q1249-E1252 PolarHBondContact O-N 3.35Å; L1250-E1252 PolarHBondContact O-N 2.98Å; E1252-L1254 PolarHBondContact O-N 2.96Å; E1252-Q1255 CarbonylContact O-C 3.57Å; E1252-Q1255 WeakPolarHBondContact O-CA 3.43Å; E1252-Q1255 VanDerWaalsContact O-CB 3.26Å; E1252-Q1255 WeakPolarHBondContact O-CB 2.98Å; E1252-Q1255 PolarHBondContact O-N 3.37Å; E1252-L1256 PolarHBondContact O-N 3.27Å; E1252-I1337 WeakPolarHBondContact OE1-CG2 3.39Å; E1252-S1338 VanDerWaalsContact OE1-CA 3.27Å; E1252-S1338 WeakPolarHBondContact OE1-CA 3.11Å; E1252-S1338 PolarHBondContact OE1-N 3.19Å; E1252-S1338 WeakPolarHBondContact OE2-CA 3.25Å; E1252-S1338 WeakPolarHBondContact OE2-CB 3.31Å; E1252-K1341 HydrophobicContact CG-CB 4.12Å; E1252-K1341 HydrophobicContact CG-CG 4.18Å |
| 1253 | R | 67.1 | Low | 60.6 | Low | 113 Ų | 113 | 49.2 Ų | 49.2 | 43% | 0.426 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 169.4 | -168.8 | 69 | 171.1 | 147.8 | 3.4 | 111.5 | Y1204 Q1249 L1250 Q1255 L1256 N1257 | Y1204-R1253 HydrophobicContact CD2-CB 3.62Å; Y1204-R1253 HydrophobicContact CD2-CG 4.09Å; Y1204-R1253 HydrophobicContact CE2-CB 3.76Å; Y1204-R1253 HydrophobicContact CE2-CG 4.26Å; Q1249-R1253 PolarHBondContact O-N 3.11Å; L1250-R1253 PolarHBondContact O-N 3.17Å; R1253-Q1255 VanDerWaalsContact C-N 3.25Å; R1253-Q1255 PolarHBondContact O-N 3Å; R1253-L1256 PolarHBondContact O-N 3.49Å; R1253-N1257 PolarHBondContact O-N 3.4Å |
| 1254 | L | 63 | Low | 58.6 | Low | 22 Ų | 22 | 56.6 Ų | 56.6 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.6 | -23.7 | 173 | -65.6 | 169.4 | 0 | 0 | 0 | 112.5 | M1216 L1250 E1252 I1269 | M1216-L1254 HydrophobicContact CE-CD1 3.61Å; M1216-L1254 HydrophobicContact CG-CD1 4.41Å; M1216-L1254 HydrophobicContact SD-CD1 3.56Å; M1216-L1254 VanDerWaalsContact SD-CD1 3.56Å; L1250-L1254 HydrophobicContact CG-CD1 4.37Å; L1250-L1254 VanDerWaalsContact O-CG 3.25Å; L1250-L1254 WeakPolarHBondContact O-CG 3.46Å; L1250-L1254 PolarHBondContact O-N 3.2Å; E1252-L1254 PolarHBondContact O-N 2.96Å; L1254-I1269 HydrophobicContact CB-CG1 4.37Å |
| 1255 | Q | 57.1 | Low | 56.9 | Low | 51 Ų | 51 | 61.4 Ų | 61.4 | 24% | 0.238 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -77 | -42.9 | 169.9 | -75 | 176.6 | 10.9 | 0 | 0 | 113 | A1251 E1252 R1253 N1257 I1269 | A1251-Q1255 PolarHBondContact O-N 3.34Å; A1251-Q1255 VanDerWaalsContact O-N 3.13Å; E1252-Q1255 CarbonylContact O-C 3.57Å; E1252-Q1255 WeakPolarHBondContact O-CA 3.43Å; E1252-Q1255 VanDerWaalsContact O-CB 3.26Å; E1252-Q1255 WeakPolarHBondContact O-CB 2.98Å; E1252-Q1255 PolarHBondContact O-N 3.37Å; R1253-Q1255 VanDerWaalsContact C-N 3.25Å; R1253-Q1255 PolarHBondContact O-N 3Å; Q1255-N1257 CarbonylContact O-C 3.54Å; Q1255-N1257 PolarHBondContact O-N 3.05Å; Q1255-N1257 VanDerWaalsContact O-N 3.1Å; Q1255-I1269 HydrophobicContact CB-CD1 4.23Å; Q1255-I1269 HydrophobicContact CG-CD1 3.23Å; Q1255-I1269 HydrophobicContact CG-CG1 4.23Å |
| 1256 | L | 42.1 | Very low | 55.6 | Low | 93 Ų | 93 | 64 Ų | 64 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -17.5 | -178.1 | -78.8 | 166.2 | 0 | 0 | 0 | 112.6 | E1252 R1253 R1258 I1337 | E1252-L1256 PolarHBondContact O-N 3.27Å; R1253-L1256 PolarHBondContact O-N 3.49Å; L1256-R1258 VanDerWaalsContact C-N 3.26Å; L1256-R1258 PolarHBondContact O-N 3.09Å; L1256-I1337 HydrophobicContact CD2-CG2 4.47Å |
| 1257 | N | 43.4 | Very low | 54.4 | Low | 102 Ų | 102 | 68 Ų | 68 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -76 | 82.6 | 165.8 | -126.1 | -10.3 | 0 | 0 | 0 | 110 | R1253 Q1255 | R1253-N1257 PolarHBondContact O-N 3.4Å; Q1255-N1257 CarbonylContact O-C 3.54Å; Q1255-N1257 PolarHBondContact O-N 3.05Å; Q1255-N1257 VanDerWaalsContact O-N 3.1Å |
| 1258 | R | 36.1 | Very low | 53.3 | Low | 111 Ų | 111 | 69.1 Ų | 69.1 | 42% | 0.419 | 37% | 0.372 | S | S | . | . | trans | 109.1 | 130.4 | 151.1 | -57.3 | 179.3 | 178.5 | -172.8 | 1.3 | 119 | L1256 S1260 | L1256-R1258 VanDerWaalsContact C-N 3.26Å; L1256-R1258 PolarHBondContact O-N 3.09Å; R1258-S1260 VanDerWaalsContact C-N 3.27Å; R1258-S1260 PolarHBondContact O-N 3.08Å | ||
| 1259 | N | 38.1 | Very low | 52.7 | Low | 159 Ų | 159 | 69.8 Ų | 69.8 | 85% | 0.85 | 38% | 0.375 | S | S | * | . | trans | -71.5 | 44.7 | -178.6 | -71.2 | -34.9 | 0 | 0 | 0 | 115.5 | ||||
| 1260 | S | 34.5 | Very low | 51.9 | Low | 62 Ų | 62 | 73.2 Ų | 73.2 | 43% | 0.434 | 39% | 0.393 | S | S | . | . | trans | -103.8 | 124.9 | 171.4 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | R1258 S1262 | R1258-S1260 VanDerWaalsContact C-N 3.27Å; R1258-S1260 PolarHBondContact O-N 3.08Å; S1260-S1262 PolarHBondContact O-N 3.07Å | ||
| 1261 | P | 39.6 | Very low | 51.3 | Low | 129 Ų | 129 | 74.2 Ų | 74.2 | 84% | 0.838 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -68.8 | 0.2 | -171.8 | -15.6 | 28.7 | 0 | 0 | 0 | 115.8 | M1263 | P1261-M1263 PolarHBondContact O-N 3.44Š|
| 1262 | S | 39.3 | Very low | 51.1 | Low | 71 Ų | 71 | 74.1 Ų | 74.1 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | trans | -79.7 | 52.6 | 171.3 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | S1260 L1264 T1265 | S1260-S1262 PolarHBondContact O-N 3.07Å; S1262-L1264 VanDerWaalsContact C-N 3.26Å; S1262-L1264 PolarHBondContact O-N 3.32Å; S1262-L1264 VanDerWaalsContact O-N 3.16Å; S1262-T1265 PolarHBondContact O-N 3.48Å; S1262-T1265 PolarHBondContact O-OG1 2.93Å | ||
| 1263 | M | 34.4 | Very low | 51.2 | Low | 95 Ų | 95 | 76 Ų | 76 | 47% | 0.468 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12.8 | -167.3 | -68.1 | -109 | 84.6 | 0 | 0 | 115.5 | P1261 | P1261-M1263 PolarHBondContact O-N 3.44Š|
| 1264 | L | 41.1 | Very low | 51.1 | Low | 158 Ų | 158 | 73.9 Ų | 73.9 | 83% | 0.827 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 3.3 | -177 | -83.6 | 161.4 | 0 | 0 | 0 | 113.9 | S1262 | S1262-L1264 VanDerWaalsContact C-N 3.26Å; S1262-L1264 PolarHBondContact O-N 3.32Å; S1262-L1264 VanDerWaalsContact O-N 3.16Å |
| 1265 | T | 45.3 | Very low | 51.3 | Low | 101 Ų | 101 | 72.9 Ų | 72.9 | 62% | 0.62 | 40% | 0.399 | S | S | * | . | trans | -99.5 | -5.1 | -176.4 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | S1262 P1267 | S1262-T1265 PolarHBondContact O-N 3.48Å; S1262-T1265 PolarHBondContact O-OG1 2.93Å; T1265-P1267 WeakPolarHBondContact O-CD 3.39Å; T1265-P1267 VanDerWaalsContact O-N 3.11Å | ||
| 1266 | N | 52.3 | Low | 52.1 | Low | 55 Ų | 55 | 70.8 Ų | 70.8 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | trans | -70.3 | 109.5 | -179.8 | -169.8 | -25.8 | 0 | 0 | 0 | 109.5 | R1268 I1269 I1270 | N1266-R1268 PolarHBondContact O-N 3.19Å; N1266-R1268 WeakPolarHBondContact OD1-CB 3.38Å; N1266-R1268 PolarHBondContact OD1-N 3.48Å; N1266-R1268 VanDerWaalsContact OD1-N 3.14Å; N1266-I1269 HydrophobicContact CB-CB 4.31Å; N1266-I1269 HydrophobicContact CB-CD1 3.77Å; N1266-I1269 HydrophobicContact CB-CG1 4.06Å; N1266-I1269 PolarHBondContact O-N 2.98Å; N1266-I1269 VanDerWaalsContact O-N 3.1Å; N1266-I1270 PolarHBondContact O-N 2.96Å; N1266-I1270 VanDerWaalsContact O-N 3.14Å | ||
| 1267 | P | 57.4 | Low | 53.4 | Low | 85 Ų | 85 | 72.9 Ų | 72.9 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61 | -31.7 | -174.5 | 25.9 | -34 | 0 | 0 | 0 | 111.5 | T1265 I1269 I1270 T1271 | T1265-P1267 WeakPolarHBondContact O-CD 3.39Å; T1265-P1267 VanDerWaalsContact O-N 3.11Å; P1267-I1269 PolarHBondContact O-N 3.17Å; P1267-I1270 CarbonylContact O-C 3.46Å; P1267-I1270 WeakPolarHBondContact O-CB 3.33Å; P1267-I1270 PolarHBondContact O-N 2.96Å; P1267-T1271 PolarHBondContact O-N 3.49Å; P1267-T1271 PolarHBondContact O-OG1 2.84Å; P1267-T1271 VanDerWaalsContact O-OG1 3.09Å |
| 1268 | R | 58.1 | Low | 54.5 | Low | 26 Ų | 26 | 73.9 Ų | 73.9 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.7 | -79.9 | -176.8 | 174.9 | 178 | 5.4 | 112.4 | D866 M1216 N1266 I1270 T1271 V1272 | D866-R1268 IonicContact OD1-CZ 2.81Å; D866-R1268 IonicContact OD1-NE 3.55Å; D866-R1268 PolarHBondContact OD1-NE 3.28Å; D866-R1268 IonicContact OD1-NH2 3.62Å; D866-R1268 PolarHBondContact OD1-NH2 2.99Å; D866-R1268 VanDerWaalsContact OD2-CD 3.27Å; D866-R1268 WeakPolarHBondContact OD2-CD 3.3Å; D866-R1268 IonicContact OD2-CZ 3.85Å; D866-R1268 IonicContact OD2-NE 3.45Å; D866-R1268 PolarHBondContact OD2-NE 3.29Å; D866-R1268 IonicContact OD2-NH1 2.86Å; D866-R1268 PolarHBondContact OD2-NH1 3.39Å; D866-R1268 IonicContact OD2-NH2 2.74Å; D866-R1268 PolarHBondContact OD2-NH2 3.22Å; D866-R1268 VanDerWaalsContact OD2-NH2 3.13Å; M1216-R1268 HydrophobicContact CB-CG 4.42Å; M1216-R1268 HydrophobicContact CE-CB 3.38Å; M1216-R1268 HydrophobicContact CE-CG 3.78Å; M1216-R1268 WeakPolarHBondContact CE-O 3.46Å; N1266-R1268 PolarHBondContact O-N 3.19Å; N1266-R1268 WeakPolarHBondContact OD1-CB 3.38Å; N1266-R1268 PolarHBondContact OD1-N 3.48Å; N1266-R1268 VanDerWaalsContact OD1-N 3.14Å; R1268-I1270 VanDerWaalsContact C-N 3.34Å; R1268-T1271 PolarHBondContact O-N 2.79Å; R1268-V1272 WeakPolarHBondContact O-CG2 3.37Å; R1268-V1272 PolarHBondContact O-N 2.96Å |
| 1269 | I | 62.2 | Low | 56 | Low | 16 Ų | 16 | 68.6 Ų | 68.6 | 8% | 0.082 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 175.9 | -64.9 | 170.8 | 0 | 0 | 0 | 109.7 | L1254 Q1255 N1266 P1267 T1271 V1272 M1273 | L1254-I1269 HydrophobicContact CB-CG1 4.37Å; Q1255-I1269 HydrophobicContact CB-CD1 4.23Å; Q1255-I1269 HydrophobicContact CG-CD1 3.23Å; Q1255-I1269 HydrophobicContact CG-CG1 4.23Å; N1266-I1269 HydrophobicContact CB-CB 4.31Å; N1266-I1269 HydrophobicContact CB-CD1 3.77Å; N1266-I1269 HydrophobicContact CB-CG1 4.06Å; N1266-I1269 PolarHBondContact O-N 2.98Å; N1266-I1269 VanDerWaalsContact O-N 3.1Å; P1267-I1269 PolarHBondContact O-N 3.17Å; I1269-T1271 VanDerWaalsContact C-N 3.32Å; I1269-T1271 PolarHBondContact O-N 3.36Å; I1269-V1272 PolarHBondContact O-N 3.5Å; I1269-M1273 HydrophobicContact CG2-CG 4.27Å; I1269-M1273 WeakPolarHBondContact O-CB 3.48Å; I1269-M1273 VanDerWaalsContact O-CG 3.26Å; I1269-M1273 WeakPolarHBondContact O-CG 3.35Å; I1269-M1273 PolarHBondContact O-N 2.75Å |
| 1270 | I | 62 | Low | 57.6 | Low | 75 Ų | 75 | 61.3 Ų | 61.3 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.7 | -46.4 | 176.1 | -66.2 | 167 | 0 | 0 | 0 | 109.7 | N1266 P1267 R1268 M1273 I1274 | N1266-I1270 PolarHBondContact O-N 2.96Å; N1266-I1270 VanDerWaalsContact O-N 3.14Å; P1267-I1270 CarbonylContact O-C 3.46Å; P1267-I1270 WeakPolarHBondContact O-CB 3.33Å; P1267-I1270 PolarHBondContact O-N 2.96Å; R1268-I1270 VanDerWaalsContact C-N 3.34Å; I1270-M1273 PolarHBondContact O-N 3.41Å; I1270-I1274 HydrophobicContact CG2-CD1 3.49Å; I1270-I1274 VanDerWaalsContact CG2-CD1 3.49Å; I1270-I1274 HydrophobicContact CG2-CG1 4.1Å; I1270-I1274 VanDerWaalsContact O-CB 3.26Å; I1270-I1274 WeakPolarHBondContact O-CB 3.09Å; I1270-I1274 WeakPolarHBondContact O-CG1 3.43Å; I1270-I1274 PolarHBondContact O-N 3.18Å |
| 1271 | T | 63.5 | Low | 59.1 | Low | 23 Ų | 23 | 62.1 Ų | 62.1 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 177.5 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | L1219 D1220 P1267 R1268 I1269 M1273 I1274 L1275 | L1219-T1271 HydrophobicContact CB-CG2 3.83Å; L1219-T1271 HydrophobicContact CD1-CG2 4.38Å; D1220-T1271 WeakPolarHBondContact OD1-CG2 3.43Å; P1267-T1271 PolarHBondContact O-N 3.49Å; P1267-T1271 PolarHBondContact O-OG1 2.84Å; P1267-T1271 VanDerWaalsContact O-OG1 3.09Å; R1268-T1271 PolarHBondContact O-N 2.79Å; I1269-T1271 VanDerWaalsContact C-N 3.32Å; I1269-T1271 PolarHBondContact O-N 3.36Å; T1271-M1273 VanDerWaalsContact C-N 3.31Å; T1271-M1273 PolarHBondContact O-N 2.86Å; T1271-I1274 WeakPolarHBondContact O-CB 3.43Å; T1271-I1274 PolarHBondContact O-N 3.43Å; T1271-L1275 PolarHBondContact O-N 2.88Å |
| 1272 | V | 68.1 | Low | 60.3 | Low | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 177.1 | -179.3 | 0 | 0 | 0 | 0 | 111 | M1216 L1219 L1247 A1251 R1268 I1269 L1275 V1276 | M1216-V1272 HydrophobicContact CE-CG2 3.47Å; M1216-V1272 VanDerWaalsContact CE-CG2 3.47Å; M1216-V1272 HydrophobicContact SD-CG2 3.91Å; L1219-V1272 HydrophobicContact CD1-CG2 3.39Å; L1247-V1272 HydrophobicContact CB-CG1 4.24Å; L1247-V1272 HydrophobicContact CD2-CG1 4.4Å; L1247-V1272 WeakPolarHBondContact O-CG1 3.3Å; A1251-V1272 HydrophobicContact CB-CB 4.1Å; A1251-V1272 HydrophobicContact CB-CG1 3.79Å; R1268-V1272 WeakPolarHBondContact O-CG2 3.37Å; R1268-V1272 PolarHBondContact O-N 2.96Å; I1269-V1272 PolarHBondContact O-N 3.5Å; V1272-L1275 PolarHBondContact O-N 3.31Å; V1272-V1276 HydrophobicContact CG1-CG2 4.38Å; V1272-V1276 WeakPolarHBondContact O-CB 3.39Å; V1272-V1276 WeakPolarHBondContact O-CG2 3.45Å; V1272-V1276 PolarHBondContact O-N 3.5Å |
| 1273 | M | 69.8 | Low | 61.7 | Low | 48 Ų | 48 | 54.7 Ų | 54.7 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.7 | -33.3 | 177.7 | -69.3 | -68.1 | 85.2 | 0 | 0 | 113.1 | I1248 A1251 I1269 I1270 T1271 V1276 R1277 L1345 | I1248-M1273 HydrophobicContact CG1-CE 4.14Å; A1251-M1273 HydrophobicContact CB-CE 4.04Å; I1269-M1273 HydrophobicContact CG2-CG 4.27Å; I1269-M1273 WeakPolarHBondContact O-CB 3.48Å; I1269-M1273 VanDerWaalsContact O-CG 3.26Å; I1269-M1273 WeakPolarHBondContact O-CG 3.35Å; I1269-M1273 PolarHBondContact O-N 2.75Å; I1270-M1273 PolarHBondContact O-N 3.41Å; T1271-M1273 VanDerWaalsContact C-N 3.31Å; T1271-M1273 PolarHBondContact O-N 2.86Å; M1273-V1276 HydrophobicContact CE-CB 4.04Å; M1273-V1276 HydrophobicContact CE-CG1 4.35Å; M1273-V1276 HydrophobicContact CE-CG2 3.83Å; M1273-R1277 VanDerWaalsContact O-CB 3.23Å; M1273-R1277 WeakPolarHBondContact O-CB 3.33Å; M1273-R1277 PolarHBondContact O-N 3.15Å; M1273-L1345 HydrophobicContact SD-CD1 3.99Å; M1273-L1345 HydrophobicContact SD-CD2 4.37Å |
| 1274 | I | 65.1 | Low | 63.6 | Low | 69 Ų | 69 | 53.6 Ų | 53.6 | 35% | 0.354 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.7 | -49 | 170.1 | -76.9 | 172.6 | 0 | 0 | 0 | 109.1 | I1223 I1270 T1271 R1277 Y1278 | I1223-I1274 HydrophobicContact CD1-CG2 4.05Å; I1270-I1274 HydrophobicContact CG2-CD1 3.49Å; I1270-I1274 VanDerWaalsContact CG2-CD1 3.49Å; I1270-I1274 HydrophobicContact CG2-CG1 4.1Å; I1270-I1274 VanDerWaalsContact O-CB 3.26Å; I1270-I1274 WeakPolarHBondContact O-CB 3.09Å; I1270-I1274 WeakPolarHBondContact O-CG1 3.43Å; I1270-I1274 PolarHBondContact O-N 3.18Å; T1271-I1274 WeakPolarHBondContact O-CB 3.43Å; T1271-I1274 PolarHBondContact O-N 3.43Å; I1274-R1277 PolarHBondContact O-N 2.93Å; I1274-Y1278 HydrophobicContact CG2-CD2 3.39Å; I1274-Y1278 HydrophobicContact CG2-CE2 3.43Å; I1274-Y1278 VanDerWaalsContact CG2-CE2 3.43Å; I1274-Y1278 WeakPolarHBondContact O-CB 3.09Å; I1274-Y1278 WeakPolarHBondContact O-CD2 3.05Å; I1274-Y1278 PolarHBondContact O-N 3.21Å |
| 1275 | L | 68.7 | Low | 65.5 | Low | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -50.2 | 176.5 | 173.9 | 64.7 | 0 | 0 | 0 | 111.6 | L1219 I1223 F1226 L1247 T1271 V1272 R1277 Y1278 I1279 | L1219-L1275 HydrophobicContact CD2-CD2 3.47Å; L1219-L1275 VanDerWaalsContact CD2-CD2 3.47Å; I1223-L1275 HydrophobicContact CB-CD1 4.12Å; I1223-L1275 HydrophobicContact CD1-CB 4.18Å; I1223-L1275 HydrophobicContact CG1-CB 3.76Å; I1223-L1275 HydrophobicContact CG1-CD1 3.42Å; I1223-L1275 VanDerWaalsContact CG1-CD1 3.42Å; I1223-L1275 HydrophobicContact CG1-CG 4.12Å; F1226-L1275 HydrophobicContact CD2-CD1 3.81Å; F1226-L1275 HydrophobicContact CE2-CD1 4.45Å; L1247-L1275 HydrophobicContact CD1-CD2 4.06Å; L1247-L1275 HydrophobicContact CD2-CD2 4.29Å; T1271-L1275 PolarHBondContact O-N 2.88Å; V1272-L1275 PolarHBondContact O-N 3.31Å; L1275-R1277 VanDerWaalsContact C-N 3.32Å; L1275-R1277 PolarHBondContact O-N 3.1Å; L1275-Y1278 PolarHBondContact O-N 3.32Å; L1275-Y1278 VanDerWaalsContact O-N 3.14Å; L1275-I1279 HydrophobicContact CD1-CD1 3.76Å; L1275-I1279 HydrophobicContact CD1-CG1 3.9Å; L1275-I1279 HydrophobicContact CD2-CD1 4.42Å; L1275-I1279 HydrophobicContact CG-CD1 3.77Å; L1275-I1279 HydrophobicContact CG-CG1 4.31Å; L1275-I1279 VanDerWaalsContact O-CG1 3.28Å; L1275-I1279 WeakPolarHBondContact O-CG1 3.35Å; L1275-I1279 PolarHBondContact O-N 2.91Å |
| 1276 | V | 73.3 | Confident | 67.3 | Low | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.4 | -47.7 | 177.1 | 166 | 0 | 0 | 0 | 0 | 110.5 | L1244 L1247 I1248 V1272 M1273 Y1278 I1279 Y1280 | L1244-V1276 HydrophobicContact CD2-CB 4.37Å; L1244-V1276 HydrophobicContact CD2-CG1 4.05Å; L1244-V1276 HydrophobicContact CD2-CG2 4.27Å; L1247-V1276 HydrophobicContact CB-CG2 3.85Å; L1247-V1276 HydrophobicContact CD1-CG2 4.27Å; I1248-V1276 HydrophobicContact CD1-CG1 4.43Å; I1248-V1276 HydrophobicContact CG1-CG1 4.3Å; I1248-V1276 HydrophobicContact CG1-CG2 4.29Å; V1272-V1276 HydrophobicContact CG1-CG2 4.38Å; V1272-V1276 WeakPolarHBondContact O-CB 3.39Å; V1272-V1276 WeakPolarHBondContact O-CG2 3.45Å; V1272-V1276 PolarHBondContact O-N 3.5Å; M1273-V1276 HydrophobicContact CE-CB 4.04Å; M1273-V1276 HydrophobicContact CE-CG1 4.35Å; M1273-V1276 HydrophobicContact CE-CG2 3.83Å; V1276-Y1278 PolarHBondContact O-N 2.92Å; V1276-I1279 PolarHBondContact O-N 3.41Å; V1276-Y1280 HydrophobicContact CG1-CD2 3.84Å; V1276-Y1280 HydrophobicContact CG1-CE2 3.48Å; V1276-Y1280 VanDerWaalsContact CG1-CE2 3.48Å; V1276-Y1280 WeakPolarHBondContact O-CD2 3.33Å; V1276-Y1280 PolarHBondContact O-N 2.98Å |
| 1277 | R | 69.6 | Low | 68.6 | Low | 138 Ų | 138 | 41.7 Ų | 41.7 | 52% | 0.521 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.7 | -175.5 | 170.4 | -178.1 | 148 | 3.2 | 111.8 | M1273 I1274 L1275 Y1280 T1281 | M1273-R1277 VanDerWaalsContact O-CB 3.23Å; M1273-R1277 WeakPolarHBondContact O-CB 3.33Å; M1273-R1277 PolarHBondContact O-N 3.15Å; I1274-R1277 PolarHBondContact O-N 2.93Å; L1275-R1277 VanDerWaalsContact C-N 3.32Å; L1275-R1277 PolarHBondContact O-N 3.1Å; R1277-Y1280 PolarHBondContact O-N 2.95Å; R1277-T1281 WeakPolarHBondContact O-CG2 3.4Å; R1277-T1281 PolarHBondContact O-N 3.05Å; R1277-T1281 PolarHBondContact O-OG1 3.3Å |
| 1278 | Y | 65.4 | Low | 69.8 | Low | 122 Ų | 122 | 37.8 Ų | 37.8 | 48% | 0.478 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.7 | -48.1 | 179 | -91.6 | -66.3 | 0 | 0 | 0 | 112.2 | I1223 I1274 L1275 V1276 Y1280 T1281 A1282 | I1223-Y1278 HydrophobicContact CG2-CD2 4.4Å; I1274-Y1278 HydrophobicContact CG2-CD2 3.39Å; I1274-Y1278 HydrophobicContact CG2-CE2 3.43Å; I1274-Y1278 VanDerWaalsContact CG2-CE2 3.43Å; I1274-Y1278 WeakPolarHBondContact O-CB 3.09Å; I1274-Y1278 WeakPolarHBondContact O-CD2 3.05Å; I1274-Y1278 PolarHBondContact O-N 3.21Å; L1275-Y1278 PolarHBondContact O-N 3.32Å; L1275-Y1278 VanDerWaalsContact O-N 3.14Å; V1276-Y1278 PolarHBondContact O-N 2.92Å; Y1278-Y1280 PolarHBondContact O-N 3.24Å; Y1278-T1281 VanDerWaalsContact CA-OG1 3.3Å; Y1278-T1281 WeakPolarHBondContact CA-OG1 3.41Å; Y1278-T1281 CarbonylContact O-C 3.4Å; Y1278-T1281 WeakPolarHBondContact O-CA 3.48Å; Y1278-T1281 PolarHBondContact O-N 3.23Å; Y1278-T1281 PolarHBondContact O-OG1 3.24Å; Y1278-A1282 WeakPolarHBondContact O-CB 3.31Å; Y1278-A1282 PolarHBondContact O-N 3.36Å |
| 1279 | I | 68.7 | Low | 71.1 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.2 | -47.2 | 174.6 | -68.4 | 168.4 | 0 | 0 | 0 | 109.1 | F1226 L1240 L1244 L1247 L1275 V1276 T1281 A1282 V1283 | F1226-I1279 HydrophobicContact CB-CG1 3.82Å; F1226-I1279 HydrophobicContact CD1-CD1 4.35Å; F1226-I1279 HydrophobicContact CD1-CG1 3.95Å; F1226-I1279 HydrophobicContact CD2-CD1 4.03Å; F1226-I1279 HydrophobicContact CD2-CG1 3.98Å; F1226-I1279 HydrophobicContact CE1-CD1 4.46Å; F1226-I1279 HydrophobicContact CE2-CD1 4.15Å; F1226-I1279 HydrophobicContact CG-CD1 4.14Å; F1226-I1279 HydrophobicContact CG-CG1 3.65Å; F1226-I1279 HydrophobicContact CZ-CD1 4.37Å; L1240-I1279 HydrophobicContact CD1-CG2 3.97Å; L1240-I1279 HydrophobicContact CD2-CG2 4.31Å; L1244-I1279 HydrophobicContact CD1-CG2 4.22Å; L1244-I1279 HydrophobicContact CD2-CB 4.12Å; L1244-I1279 HydrophobicContact CD2-CD1 4.24Å; L1244-I1279 HydrophobicContact CD2-CG2 3.9Å; L1244-I1279 HydrophobicContact CG-CG2 4.29Å; L1247-I1279 HydrophobicContact CD1-CD1 4.02Å; L1275-I1279 HydrophobicContact CD1-CD1 3.76Å; L1275-I1279 HydrophobicContact CD1-CG1 3.9Å; L1275-I1279 HydrophobicContact CD2-CD1 4.42Å; L1275-I1279 HydrophobicContact CG-CD1 3.77Å; L1275-I1279 HydrophobicContact CG-CG1 4.31Å; L1275-I1279 VanDerWaalsContact O-CG1 3.28Å; L1275-I1279 WeakPolarHBondContact O-CG1 3.35Å; L1275-I1279 PolarHBondContact O-N 2.91Å; V1276-I1279 PolarHBondContact O-N 3.41Å; I1279-T1281 PolarHBondContact O-N 3.24Å; I1279-A1282 PolarHBondContact O-N 2.91Å; I1279-V1283 HydrophobicContact CG2-CG2 4.32Å; I1279-V1283 WeakPolarHBondContact O-CG2 3.23Å; I1279-V1283 PolarHBondContact O-N 3.19Å |
| 1280 | Y | 71.8 | Confident | 72.3 | Confident | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.02 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | 175 | -75.5 | -58.8 | 0 | 0 | 0 | 112 | L1244 V1276 R1277 Y1278 V1291 L1292 L1295 Q1349 R1353 | L1244-Y1280 HydrophobicContact CD1-CD1 4.14Å; L1244-Y1280 HydrophobicContact CD1-CE1 3.5Å; L1244-Y1280 HydrophobicContact CD1-CE2 4.39Å; L1244-Y1280 HydrophobicContact CD2-CD2 4.45Å; L1244-Y1280 HydrophobicContact CD2-CE2 4.01Å; V1276-Y1280 HydrophobicContact CG1-CD2 3.84Å; V1276-Y1280 HydrophobicContact CG1-CE2 3.48Å; V1276-Y1280 VanDerWaalsContact CG1-CE2 3.48Å; V1276-Y1280 WeakPolarHBondContact O-CD2 3.33Å; V1276-Y1280 PolarHBondContact O-N 2.98Å; R1277-Y1280 PolarHBondContact O-N 2.95Å; Y1278-Y1280 PolarHBondContact O-N 3.24Å; Y1280-V1291 HydrophobicContact CE1-CG1 4.38Å; Y1280-L1292 HydrophobicContact CD1-CD1 4.33Å; Y1280-L1292 HydrophobicContact CD1-CD2 4.23Å; Y1280-L1292 HydrophobicContact CD1-CG 4.13Å; Y1280-L1292 HydrophobicContact CE1-CD1 4.26Å; Y1280-L1292 HydrophobicContact CE1-CD2 3.46Å; Y1280-L1292 VanDerWaalsContact CE1-CD2 3.46Å; Y1280-L1292 HydrophobicContact CE1-CG 3.58Å; Y1280-L1292 HydrophobicContact CE2-CD2 4.17Å; Y1280-L1292 VanDerWaalsContact CZ-CD2 3.43Å; Y1280-L1292 WeakPolarHBondContact OH-CD2 3.48Å; Y1280-L1295 WeakPolarHBondContact OH-CD1 3.34Å; Y1280-Q1349 HydrophobicContact CD2-CG 4.24Å; Y1280-Q1349 HydrophobicContact CE2-CG 4.2Å; Y1280-R1353 PolarHBondContact O-NH2 3.41Å |
| 1281 | T | 65.1 | Low | 73.4 | Confident | 79 Ų | 79 | 32.4 Ų | 32.4 | 49% | 0.485 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.8 | -28 | -178.3 | 55.9 | 0 | 0 | 0 | 0 | 115.4 | R1277 Y1278 I1279 R1353 | R1277-T1281 WeakPolarHBondContact O-CG2 3.4Å; R1277-T1281 PolarHBondContact O-N 3.05Å; R1277-T1281 PolarHBondContact O-OG1 3.3Å; Y1278-T1281 VanDerWaalsContact CA-OG1 3.3Å; Y1278-T1281 WeakPolarHBondContact CA-OG1 3.41Å; Y1278-T1281 CarbonylContact O-C 3.4Å; Y1278-T1281 WeakPolarHBondContact O-CA 3.48Å; Y1278-T1281 PolarHBondContact O-N 3.23Å; Y1278-T1281 PolarHBondContact O-OG1 3.24Å; I1279-T1281 PolarHBondContact O-N 3.24Å; T1281-R1353 VanDerWaalsContact N-NH2 3.1Å |
| 1282 | A | 64.4 | Low | 74.5 | Confident | 39 Ų | 39 | 31.4 Ų | 31.4 | 32% | 0.322 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -84.5 | -28.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | F1226 F1232 Y1278 I1279 | F1226-A1282 WeakPolarHBondContact O-CB 3.14Å; F1232-A1282 HydrophobicContact CD2-CB 4.38Å; F1232-A1282 HydrophobicContact CE1-CB 4.44Å; F1232-A1282 HydrophobicContact CE2-CB 3.59Å; F1232-A1282 HydrophobicContact CZ-CB 3.6Å; Y1278-A1282 WeakPolarHBondContact O-CB 3.31Å; Y1278-A1282 PolarHBondContact O-N 3.36Å; I1279-A1282 PolarHBondContact O-N 2.91Å |
| 1283 | V | 70.4 | Confident | 75.5 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -74.6 | 149.7 | -179.5 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | F1232 L1240 I1279 I1287 | F1232-V1283 HydrophobicContact CD1-CB 4.39Å; F1232-V1283 HydrophobicContact CD1-CG2 3.45Å; F1232-V1283 VanDerWaalsContact CD1-CG2 3.45Å; F1232-V1283 HydrophobicContact CE1-CG2 3.37Å; F1232-V1283 HydrophobicContact CG-CG2 4.46Å; F1232-V1283 HydrophobicContact CZ-CG2 4.33Å; L1240-V1283 HydrophobicContact CD2-CG1 4.41Å; L1240-V1283 HydrophobicContact CD2-CG2 3.83Å; I1279-V1283 HydrophobicContact CG2-CG2 4.32Å; I1279-V1283 WeakPolarHBondContact O-CG2 3.23Å; I1279-V1283 PolarHBondContact O-N 3.19Å; V1283-I1287 HydrophobicContact CG1-CB 3.5Å; V1283-I1287 HydrophobicContact CG1-CD1 4.5Å; V1283-I1287 HydrophobicContact CG1-CG2 3.44Å; V1283-I1287 VanDerWaalsContact CG1-CG2 3.44Å |
| 1284 | D | 73.6 | Confident | 76.3 | Confident | 72 Ų | 72 | 30.5 Ų | 30.5 | 39% | 0.385 | 15% | 0.152 | S | C | . | . | trans | -47.7 | 133.2 | 172.2 | -178.1 | -91.8 | 0 | 0 | 0 | 110.5 | S1286 I1287 G1288 | D1284-S1286 PolarHBondContact O-N 3.4Å; D1284-S1286 WeakPolarHBondContact OD1-CB 3.41Å; D1284-S1286 PolarHBondContact OD1-N 3.13Å; D1284-S1286 PolarHBondContact OD1-OG 3.3Å; D1284-I1287 HydrophobicContact CB-CB 4.47Å; D1284-I1287 HydrophobicContact CB-CD1 4.08Å; D1284-I1287 HydrophobicContact CB-CG1 4.22Å; D1284-I1287 PolarHBondContact O-N 3.21Å; D1284-G1288 PolarHBondContact O-N 3.4Å | ||
| 1285 | P | 80.1 | Confident | 77.2 | Confident | 24 Ų | 24 | 27.2 Ų | 27.2 | 16% | 0.156 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.6 | -32.3 | -175.2 | -26.1 | 33.5 | 0 | 0 | 0 | 114.2 | L1289 Y1360 | P1285-L1289 VanDerWaalsContact O-CB 3.32Å; P1285-L1289 WeakPolarHBondContact O-CB 3.49Å; P1285-L1289 PolarHBondContact O-N 2.88Å; P1285-Y1360 HydrophobicContact CB-CD2 3.26Å; P1285-Y1360 HydrophobicContact CB-CE2 3.61Å; P1285-Y1360 HydrophobicContact CB-CG 3.75Å; P1285-Y1360 HydrophobicContact CG-CD2 3.93Å; P1285-Y1360 HydrophobicContact CG-CG 3.92Å |
| 1286 | S | 82.9 | Confident | 77.9 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.5 | -45.4 | 177.1 | -40 | 0 | 0 | 0 | 0 | 111.1 | D1284 L1289 S1290 K1363 I1364 D1365 I1369 | D1284-S1286 PolarHBondContact O-N 3.4Å; D1284-S1286 WeakPolarHBondContact OD1-CB 3.41Å; D1284-S1286 PolarHBondContact OD1-N 3.13Å; D1284-S1286 PolarHBondContact OD1-OG 3.3Å; S1286-L1289 PolarHBondContact O-N 3.26Å; S1286-S1290 VanDerWaalsContact O-CB 3.27Å; S1286-S1290 WeakPolarHBondContact O-CB 3.3Å; S1286-S1290 PolarHBondContact O-N 3.26Å; S1286-K1363 PolarHBondContact OG-O 2.98Å; S1286-I1364 WeakPolarHBondContact OG-CA 3.27Å; S1286-D1365 PolarHBondContact OG-N 3.21Å; S1286-I1369 WeakPolarHBondContact O-CD1 3.38Å |
| 1287 | I | 80.1 | Confident | 78.5 | Confident | 36 Ų | 36 | 26.9 Ų | 26.9 | 19% | 0.185 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.2 | -43.4 | 178.5 | -60.8 | 173 | 0 | 0 | 0 | 109.9 | A1237 V1283 D1284 L1289 S1290 V1291 | A1237-I1287 HydrophobicContact CB-CG2 4.19Å; V1283-I1287 HydrophobicContact CG1-CB 3.5Å; V1283-I1287 HydrophobicContact CG1-CD1 4.5Å; V1283-I1287 HydrophobicContact CG1-CG2 3.44Å; V1283-I1287 VanDerWaalsContact CG1-CG2 3.44Å; D1284-I1287 HydrophobicContact CB-CB 4.47Å; D1284-I1287 HydrophobicContact CB-CD1 4.08Å; D1284-I1287 HydrophobicContact CB-CG1 4.22Å; D1284-I1287 PolarHBondContact O-N 3.21Å; I1287-L1289 PolarHBondContact O-N 2.97Å; I1287-S1290 WeakPolarHBondContact O-CB 3.45Å; I1287-S1290 PolarHBondContact O-N 3.24Å; I1287-V1291 HydrophobicContact CG2-CG2 4.45Å; I1287-V1291 WeakPolarHBondContact O-CG2 3.35Å; I1287-V1291 PolarHBondContact O-N 3.23Å |
| 1288 | G | 82.7 | Confident | 79 | Confident | 4 Ų | 4 | 21 Ų | 21 | 4% | 0.041 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1284 V1291 L1292 | D1284-G1288 PolarHBondContact O-N 3.4Å; G1288-V1291 PolarHBondContact O-N 3.44Å; G1288-L1292 WeakPolarHBondContact O-CG 3.45Å; G1288-L1292 PolarHBondContact O-N 3.1Å; G1288-L1292 VanDerWaalsContact O-N 3.13Å |
| 1289 | L | 86.3 | Confident | 79.7 | Confident | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 176.8 | -162.9 | 74 | 0 | 0 | 0 | 111.8 | P1285 S1286 I1287 V1291 L1292 L1293 L1350 R1353 I1369 M1410 | P1285-L1289 VanDerWaalsContact O-CB 3.32Å; P1285-L1289 WeakPolarHBondContact O-CB 3.49Å; P1285-L1289 PolarHBondContact O-N 2.88Å; S1286-L1289 PolarHBondContact O-N 3.26Å; I1287-L1289 PolarHBondContact O-N 2.97Å; L1289-V1291 PolarHBondContact O-N 2.91Å; L1289-L1292 PolarHBondContact O-N 3.48Å; L1289-L1293 HydrophobicContact CG-CD1 4.29Å; L1289-L1293 WeakPolarHBondContact O-CG 3.47Å; L1289-L1293 PolarHBondContact O-N 3.37Å; L1289-L1350 HydrophobicContact CD1-CD1 3.65Å; L1289-R1353 HydrophobicContact CD1-CB 4.37Å; L1289-I1369 HydrophobicContact CB-CD1 3.92Å; L1289-I1369 HydrophobicContact CD2-CD1 3.97Å; L1289-I1369 HydrophobicContact CD2-CG1 4.17Å; L1289-I1369 HydrophobicContact CD2-CG2 3.85Å; L1289-I1369 HydrophobicContact CG-CD1 4.22Å; L1289-M1410 HydrophobicContact CD1-CE 3.82Å; L1289-M1410 HydrophobicContact CD1-SD 4.37Å; L1289-M1410 HydrophobicContact CD2-SD 4.13Å |
| 1290 | S | 86.3 | Confident | 80 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | 175.2 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | S1286 I1287 L1293 R1294 L1372 | S1286-S1290 VanDerWaalsContact O-CB 3.27Å; S1286-S1290 WeakPolarHBondContact O-CB 3.3Å; S1286-S1290 PolarHBondContact O-N 3.26Å; I1287-S1290 WeakPolarHBondContact O-CB 3.45Å; I1287-S1290 PolarHBondContact O-N 3.24Å; S1290-L1293 PolarHBondContact O-N 3.32Å; S1290-R1294 WeakPolarHBondContact O-CB 3.47Å; S1290-R1294 VanDerWaalsContact O-CG 3.28Å; S1290-R1294 WeakPolarHBondContact O-CG 3.25Å; S1290-R1294 PolarHBondContact O-N 3.22Å; S1290-L1372 VanDerWaalsContact OG-CD1 3.27Å; S1290-L1372 WeakPolarHBondContact OG-CD1 3.28Å |
| 1291 | V | 84.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 178.1 | 170.8 | 0 | 0 | 0 | 0 | 112 | A1237 L1240 K1241 L1244 Y1280 I1287 G1288 L1289 R1294 L1295 | A1237-V1291 HydrophobicContact CB-CG2 3.82Å; L1240-V1291 HydrophobicContact CB-CG2 4.22Å; L1240-V1291 HydrophobicContact CD2-CG2 4.29Å; L1240-V1291 HydrophobicContact CG-CG2 4.48Å; K1241-V1291 HydrophobicContact CB-CG1 3.87Å; L1244-V1291 HydrophobicContact CD1-CG1 3.66Å; Y1280-V1291 HydrophobicContact CE1-CG1 4.38Å; I1287-V1291 HydrophobicContact CG2-CG2 4.45Å; I1287-V1291 WeakPolarHBondContact O-CG2 3.35Å; I1287-V1291 PolarHBondContact O-N 3.23Å; G1288-V1291 PolarHBondContact O-N 3.44Å; L1289-V1291 PolarHBondContact O-N 2.91Å; V1291-R1294 PolarHBondContact O-N 3.28Å; V1291-L1295 HydrophobicContact CG1-CD1 4.05Å; V1291-L1295 WeakPolarHBondContact O-CB 3.4Å; V1291-L1295 PolarHBondContact O-N 3.2Å |
| 1292 | L | 87.1 | Confident | 80.3 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 176.8 | -73.7 | 168 | 0 | 0 | 0 | 111.6 | Y1280 G1288 L1289 R1294 L1295 V1296 Q1349 L1350 R1353 | Y1280-L1292 HydrophobicContact CD1-CD1 4.33Å; Y1280-L1292 HydrophobicContact CD1-CD2 4.23Å; Y1280-L1292 HydrophobicContact CD1-CG 4.13Å; Y1280-L1292 HydrophobicContact CE1-CD1 4.26Å; Y1280-L1292 HydrophobicContact CE1-CD2 3.46Å; Y1280-L1292 VanDerWaalsContact CE1-CD2 3.46Å; Y1280-L1292 HydrophobicContact CE1-CG 3.58Å; Y1280-L1292 HydrophobicContact CE2-CD2 4.17Å; Y1280-L1292 VanDerWaalsContact CZ-CD2 3.43Å; Y1280-L1292 WeakPolarHBondContact OH-CD2 3.48Å; G1288-L1292 WeakPolarHBondContact O-CG 3.45Å; G1288-L1292 PolarHBondContact O-N 3.1Å; G1288-L1292 VanDerWaalsContact O-N 3.13Å; L1289-L1292 PolarHBondContact O-N 3.48Å; L1292-R1294 VanDerWaalsContact C-N 3.35Å; L1292-R1294 PolarHBondContact O-N 3.17Å; L1292-L1295 PolarHBondContact O-N 3.4Å; L1292-V1296 WeakPolarHBondContact O-CB 3.36Å; L1292-V1296 VanDerWaalsContact O-CG2 3.27Å; L1292-V1296 WeakPolarHBondContact O-CG2 3.4Å; L1292-V1296 PolarHBondContact O-N 2.93Å; L1292-Q1349 HydrophobicContact CD1-CB 4.26Å; L1292-Q1349 HydrophobicContact CD2-CB 3.73Å; L1292-L1350 HydrophobicContact CB-CB 4.44Å; L1292-L1350 HydrophobicContact CB-CD1 4.1Å; L1292-R1353 HydrophobicContact CD1-CG 4.11Å |
| 1293 | L | 88.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 177.4 | -71.5 | 169.4 | 0 | 0 | 0 | 111.5 | L1289 S1290 V1296 H1297 L1350 I1369 L1372 L1373 F1376 I1407 | L1289-L1293 HydrophobicContact CG-CD1 4.29Å; L1289-L1293 WeakPolarHBondContact O-CG 3.47Å; L1289-L1293 PolarHBondContact O-N 3.37Å; S1290-L1293 PolarHBondContact O-N 3.32Å; L1293-V1296 PolarHBondContact O-N 3.49Å; L1293-H1297 WeakPolarHBondContact O-CB 3.26Å; L1293-H1297 PolarHBondContact O-N 2.8Å; L1293-L1350 HydrophobicContact CD2-CD1 4.21Å; L1293-L1350 HydrophobicContact CD2-CD2 4.1Å; L1293-L1350 HydrophobicContact CG-CD1 4.41Å; L1293-I1369 HydrophobicContact CD1-CG2 4.37Å; L1293-L1372 HydrophobicContact CB-CB 4.26Å; L1293-L1372 HydrophobicContact CD1-CB 3.92Å; L1293-L1373 HydrophobicContact CD1-CD2 3.7Å; L1293-L1373 HydrophobicContact CD1-CG 4.42Å; L1293-L1373 HydrophobicContact CD2-CD2 3.79Å; L1293-L1373 HydrophobicContact CG-CD2 4.42Å; L1293-F1376 HydrophobicContact CD2-CE2 4.18Å; L1293-F1376 WeakPolarHBondContact O-CZ 2.94Å; L1293-I1407 HydrophobicContact CD2-CD1 4.03Å; L1293-I1407 HydrophobicContact CD2-CG1 4.38Å |
| 1294 | R | 86.7 | Confident | 80.5 | Confident | 29 Ų | 29 | 16.6 Ų | 16.6 | 11% | 0.109 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.8 | -42.7 | 177.3 | -71.1 | 170.5 | 179.8 | -127.4 | 19.2 | 112.8 | D1238 K1241 S1290 V1291 L1292 V1296 H1297 I1298 D1304 I1305 L1372 | D1238-R1294 IonicContact OD1-CZ 3.88Å; D1238-R1294 IonicContact OD1-NH1 2.71Å; D1238-R1294 PolarHBondContact OD1-NH1 3.15Å; D1238-R1294 IonicContact OD1-NH2 3.5Å; D1238-R1294 PolarHBondContact OD1-NH2 3.07Å; K1241-R1294 HydrophobicContact CD-CB 4.08Å; S1290-R1294 WeakPolarHBondContact O-CB 3.47Å; S1290-R1294 VanDerWaalsContact O-CG 3.28Å; S1290-R1294 WeakPolarHBondContact O-CG 3.25Å; S1290-R1294 PolarHBondContact O-N 3.22Å; V1291-R1294 PolarHBondContact O-N 3.28Å; L1292-R1294 VanDerWaalsContact C-N 3.35Å; L1292-R1294 PolarHBondContact O-N 3.17Å; R1294-V1296 PolarHBondContact O-N 3Å; R1294-H1297 WeakPolarHBondContact O-CB 3.27Å; R1294-H1297 PolarHBondContact O-N 2.85Å; R1294-I1298 VanDerWaalsContact O-CG1 3.27Å; R1294-I1298 WeakPolarHBondContact O-CG1 3.31Å; R1294-I1298 PolarHBondContact O-N 2.95Å; R1294-D1304 IonicContact NH1-OD1 2.76Å; R1294-D1304 IonicContact NH1-OD2 2.75Å; R1294-D1304 PolarHBondContact NH1-OD2 2.94Å; R1294-I1305 HydrophobicContact CG-CD1 4.35Å; R1294-L1372 HydrophobicContact CG-CD2 4.28Å |
| 1295 | L | 84.5 | Confident | 80.2 | Confident | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 175.6 | -86.1 | 172 | 0 | 0 | 0 | 111.7 | K1241 L1244 Y1280 V1291 L1292 H1297 I1298 C1299 L1332 | K1241-L1295 HydrophobicContact CB-CG 4.21Å; K1241-L1295 WeakPolarHBondContact O-CD2 3.31Å; L1244-L1295 HydrophobicContact CB-CD1 4.1Å; Y1280-L1295 WeakPolarHBondContact OH-CD1 3.34Å; V1291-L1295 HydrophobicContact CG1-CD1 4.05Å; V1291-L1295 WeakPolarHBondContact O-CB 3.4Å; V1291-L1295 PolarHBondContact O-N 3.2Å; L1292-L1295 PolarHBondContact O-N 3.4Å; L1295-H1297 VanDerWaalsContact C-N 3.32Å; L1295-I1298 PolarHBondContact O-N 3.23Å; L1295-C1299 PolarHBondContact O-N 3.03Å; L1295-C1299 PolarHBondContact O-SG 3.32Å; L1295-L1332 HydrophobicContact CD2-CD1 3.94Å |
| 1296 | V | 84.5 | Confident | 79.2 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.6 | -36.4 | 176.3 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | L1292 L1293 R1294 C1299 C1300 F1376 I1399 T1403 | L1292-V1296 WeakPolarHBondContact O-CB 3.36Å; L1292-V1296 VanDerWaalsContact O-CG2 3.27Å; L1292-V1296 WeakPolarHBondContact O-CG2 3.4Å; L1292-V1296 PolarHBondContact O-N 2.93Å; L1293-V1296 PolarHBondContact O-N 3.49Å; R1294-V1296 PolarHBondContact O-N 3Å; V1296-C1299 CarbonylContact O-C 3.58Å; V1296-C1299 WeakPolarHBondContact O-CA 3.49Å; V1296-C1299 WeakPolarHBondContact O-CB 3.33Å; V1296-C1299 PolarHBondContact O-N 3.42Å; V1296-C1300 PolarHBondContact O-N 3Å; V1296-C1300 PolarHBondContact O-SG 3.47Å; V1296-F1376 HydrophobicContact CG1-CE1 4.09Å; V1296-F1376 HydrophobicContact CG1-CZ 4.38Å; V1296-I1399 HydrophobicContact CG1-CG2 4.44Å; V1296-T1403 HydrophobicContact CG1-CG2 3.52Å; V1296-T1403 WeakPolarHBondContact CG1-OG1 3.28Å |
| 1297 | H | 84.1 | Confident | 77.8 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.7 | -47.7 | 174.3 | -172.2 | -86.4 | 0 | 0 | 0 | 112.2 | L1293 R1294 L1295 C1299 C1300 F1301 C1303 I1305 F1376 | L1293-H1297 WeakPolarHBondContact O-CB 3.26Å; L1293-H1297 PolarHBondContact O-N 2.8Å; R1294-H1297 WeakPolarHBondContact O-CB 3.27Å; R1294-H1297 PolarHBondContact O-N 2.85Å; L1295-H1297 VanDerWaalsContact C-N 3.32Å; H1297-C1299 PolarHBondContact O-N 3.29Å; H1297-C1300 PolarHBondContact O-N 2.96Å; H1297-C1300 VanDerWaalsContact O-N 3.09Å; H1297-F1301 HydrophobicContact CB-CD2 4.48Å; H1297-F1301 AromaticContact CD2-CD2 3.22Å; H1297-F1301 WeakPolarHBondContact CD2-CD2 3.45Å; H1297-F1301 AromaticContact CD2-CE2 3.45Å; H1297-F1301 VanDerWaalsContact CD2-CE2 3.45Å; H1297-F1301 WeakPolarHBondContact CD2-CE2 3.44Å; H1297-F1301 AromaticContact CE1-CD2 3.57Å; H1297-F1301 AromaticContact CE1-CG 3.91Å; H1297-F1301 AromaticContact CG-CD2 3.6Å; H1297-F1301 AromaticContact ND1-CD2 3.79Å; H1297-F1301 AromaticContact NE2-CD2 3.22Å; H1297-F1301 WeakPolarHBondContact NE2-CD2 3.06Å; H1297-F1301 AromaticContact NE2-CE2 3.63Å; H1297-F1301 AromaticContact NE2-CG 3.84Å; H1297-F1301 WeakPolarHBondContact O-CD2 3.41Å; H1297-F1301 PolarHBondContact O-N 3.09Å; H1297-C1303 PolarHBondContact ND1-O 3.25Å; H1297-I1305 HydrophobicContact CB-CD1 3.73Å; H1297-I1305 HydrophobicContact CB-CG1 3.66Å; H1297-I1305 WeakPolarHBondContact CD2-CG1 3.27Å; H1297-I1305 WeakPolarHBondContact ND1-CG1 3.44Å; H1297-F1376 HydrophobicContact CB-CE1 4.35Å; H1297-F1376 HydrophobicContact CB-CE2 4.4Å; H1297-F1376 HydrophobicContact CB-CZ 3.65Å |
| 1298 | I | 81.1 | Confident | 76.1 | Confident | 13 Ų | 13 | 23.4 Ų | 23.4 | 7% | 0.067 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.9 | -40 | 173.6 | -69 | 163.3 | 0 | 0 | 0 | 109.2 | K1241 R1294 L1295 G1302 C1303 D1304 L1332 M1334 | K1241-I1298 HydrophobicContact CD-CD1 4.26Å; R1294-I1298 VanDerWaalsContact O-CG1 3.27Å; R1294-I1298 WeakPolarHBondContact O-CG1 3.31Å; R1294-I1298 PolarHBondContact O-N 2.95Å; L1295-I1298 PolarHBondContact O-N 3.23Å; I1298-G1302 WeakPolarHBondContact O-CA 3.37Å; I1298-G1302 PolarHBondContact O-N 3.03Å; I1298-C1303 WeakPolarHBondContact CA-O 3.34Å; I1298-D1304 HydrophobicContact CD1-CB 4.47Å; I1298-D1304 HydrophobicContact CG1-CB 4.34Å; I1298-L1332 HydrophobicContact CG2-CD1 4.37Å; I1298-M1334 HydrophobicContact CG2-CE 4.42Å; I1298-M1334 HydrophobicContact CG2-SD 4.38Å; I1298-M1334 WeakPolarHBondContact O-CE 3.37Å |
| 1299 | C | 80.1 | Confident | 74 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.027 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -54.4 | 174.4 | -64 | 0 | 0 | 0 | 0 | 111.6 | L1295 V1296 H1297 F1301 F1339 A1343 | L1295-C1299 PolarHBondContact O-N 3.03Å; L1295-C1299 PolarHBondContact O-SG 3.32Å; V1296-C1299 CarbonylContact O-C 3.58Å; V1296-C1299 WeakPolarHBondContact O-CA 3.49Å; V1296-C1299 WeakPolarHBondContact O-CB 3.33Å; V1296-C1299 PolarHBondContact O-N 3.42Å; H1297-C1299 PolarHBondContact O-N 3.29Å; C1299-F1301 PolarHBondContact O-N 2.77Å; C1299-F1339 HydrophobicContact CB-CE2 3.84Å; C1299-F1339 HydrophobicContact CB-CZ 3.98Å; C1299-F1339 WeakPolarHBondContact O-CE2 3.29Å; C1299-F1339 WeakPolarHBondContact O-CZ 3.41Å; C1299-A1343 HydrophobicContact CB-CB 3.79Å |
| 1300 | C | 75.1 | Confident | 71.3 | Confident | 10 Ų | 10 | 35 Ų | 35 | 7% | 0.068 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | -176.8 | -67.6 | 0 | 0 | 0 | 0 | 113.6 | V1296 H1297 R1396 L1400 | V1296-C1300 PolarHBondContact O-N 3Å; V1296-C1300 PolarHBondContact O-SG 3.47Å; H1297-C1300 PolarHBondContact O-N 2.96Å; H1297-C1300 VanDerWaalsContact O-N 3.09Å; C1300-R1396 WeakPolarHBondContact O-CD 3.49Å; C1300-L1400 HydrophobicContact CB-CB 4.42Å; C1300-L1400 HydrophobicContact CB-CD1 4.33Å |
| 1301 | F | 75.7 | Confident | 68.5 | Low | 54 Ų | 54 | 44.4 Ų | 44.4 | 24% | 0.237 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -112.3 | -19.3 | -166.8 | -59.6 | -78.4 | 0 | 0 | 0 | 113.5 | H1297 C1299 C1303 F1376 I1387 R1396 L1400 | H1297-F1301 HydrophobicContact CB-CD2 4.48Å; H1297-F1301 AromaticContact CD2-CD2 3.22Å; H1297-F1301 WeakPolarHBondContact CD2-CD2 3.45Å; H1297-F1301 AromaticContact CD2-CE2 3.45Å; H1297-F1301 VanDerWaalsContact CD2-CE2 3.45Å; H1297-F1301 WeakPolarHBondContact CD2-CE2 3.44Å; H1297-F1301 AromaticContact CE1-CD2 3.57Å; H1297-F1301 AromaticContact CE1-CG 3.91Å; H1297-F1301 AromaticContact CG-CD2 3.6Å; H1297-F1301 AromaticContact ND1-CD2 3.79Å; H1297-F1301 AromaticContact NE2-CD2 3.22Å; H1297-F1301 WeakPolarHBondContact NE2-CD2 3.06Å; H1297-F1301 AromaticContact NE2-CE2 3.63Å; H1297-F1301 AromaticContact NE2-CG 3.84Å; H1297-F1301 WeakPolarHBondContact O-CD2 3.41Å; H1297-F1301 PolarHBondContact O-N 3.09Å; C1299-F1301 PolarHBondContact O-N 2.77Å; F1301-C1303 VanDerWaalsContact C-N 3.32Å; F1301-F1376 HydrophobicContact CE2-CD1 4.34Å; F1301-F1376 HydrophobicContact CE2-CE1 4.21Å; F1301-I1387 HydrophobicContact CD1-CD1 4.45Å; F1301-I1387 HydrophobicContact CE1-CD1 4.43Å; F1301-R1396 PolarHBondContact O-NH1 2.94Å; F1301-L1400 HydrophobicContact CE1-CD2 4.43Å; F1301-L1400 HydrophobicContact CE2-CD1 4.11Å; F1301-L1400 HydrophobicContact CZ-CD1 3.79Å; F1301-L1400 HydrophobicContact CZ-CD2 4.19Å |
| 1302 | G | 68.2 | Low | 65.9 | Low | 39 Ų | 39 | 50.4 Ų | 50.4 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 82.2 | 6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1298 | I1298-G1302 WeakPolarHBondContact O-CA 3.37Å; I1298-G1302 PolarHBondContact O-N 3.03Å |
| 1303 | C | 68.6 | Low | 63.2 | Low | 42 Ų | 42 | 59.2 Ų | 59.2 | 28% | 0.284 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -140.3 | 159.3 | 176.7 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | H1297 I1298 F1301 | H1297-C1303 PolarHBondContact ND1-O 3.25Å; I1298-C1303 WeakPolarHBondContact CA-O 3.34Å; F1301-C1303 VanDerWaalsContact C-N 3.32Å |
| 1304 | D | 69.4 | Low | 60.4 | Low | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.053 | 36% | 0.359 | C | S | . | . | trans | -73 | 153.2 | 170.9 | -164.9 | 7.2 | 0 | 0 | 0 | 110.4 | K1241 R1294 I1298 S1306 C1307 | K1241-D1304 WeakPolarHBondContact CE-OD2 3.46Å; K1241-D1304 IonicContact NZ-OD2 3.26Å; K1241-D1304 PolarHBondContact NZ-OD2 3.24Å; R1294-D1304 IonicContact NH1-OD1 2.76Å; R1294-D1304 IonicContact NH1-OD2 2.75Å; R1294-D1304 PolarHBondContact NH1-OD2 2.94Å; I1298-D1304 HydrophobicContact CD1-CB 4.47Å; I1298-D1304 HydrophobicContact CG1-CB 4.34Å; D1304-S1306 PolarHBondContact O-N 3.31Å; D1304-S1306 PolarHBondContact OD2-OG 3.34Å; D1304-C1307 WeakPolarHBondContact O-CB 3.37Å; D1304-C1307 PolarHBondContact O-N 2.87Å | ||
| 1305 | I | 67.7 | Low | 57.7 | Low | 8 Ų | 8 | 72.3 Ų | 72.3 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -62.1 | -31.4 | -178.9 | -65.8 | 167.5 | 0 | 0 | 0 | 111 | R1294 H1297 C1307 H1308 L1372 P1375 F1376 | R1294-I1305 HydrophobicContact CG-CD1 4.35Å; H1297-I1305 HydrophobicContact CB-CD1 3.73Å; H1297-I1305 HydrophobicContact CB-CG1 3.66Å; H1297-I1305 WeakPolarHBondContact CD2-CG1 3.27Å; H1297-I1305 WeakPolarHBondContact ND1-CG1 3.44Å; I1305-C1307 PolarHBondContact O-N 3.24Å; I1305-C1307 VanDerWaalsContact O-N 3.16Å; I1305-H1308 PolarHBondContact O-N 3.14Å; I1305-L1372 HydrophobicContact CB-CD2 4.16Å; I1305-L1372 HydrophobicContact CD1-CB 4.13Å; I1305-L1372 HydrophobicContact CD1-CD2 3.6Å; I1305-L1372 HydrophobicContact CD1-CG 4.46Å; I1305-L1372 HydrophobicContact CG1-CD2 4.44Å; I1305-L1372 HydrophobicContact CG2-CD2 3.99Å; I1305-P1375 HydrophobicContact CG2-CG 4.33Å; I1305-F1376 HydrophobicContact CD1-CE2 4.49Å |
| 1306 | S | 59.9 | Low | 55.1 | Low | 61 Ų | 61 | 79.6 Ų | 79.6 | 43% | 0.427 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -57.1 | -28.3 | 179.6 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | D1304 H1308 Q1309 | D1304-S1306 PolarHBondContact O-N 3.31Å; D1304-S1306 PolarHBondContact OD2-OG 3.34Å; S1306-H1308 PolarHBondContact O-N 3.48Å; S1306-H1308 VanDerWaalsContact O-N 3.16Å; S1306-Q1309 PolarHBondContact O-N 2.95Å |
| 1307 | C | 51.9 | Low | 52.3 | Low | 80 Ų | 80 | 84.2 Ų | 84.2 | 54% | 0.541 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -65.1 | -16 | 177.9 | -61.3 | 0 | 0 | 0 | 0 | 113.7 | D1304 I1305 | D1304-C1307 WeakPolarHBondContact O-CB 3.37Å; D1304-C1307 PolarHBondContact O-N 2.87Å; I1305-C1307 PolarHBondContact O-N 3.24Å; I1305-C1307 VanDerWaalsContact O-N 3.16Å |
| 1308 | H | 44.3 | Very low | 49.7 | Very low | 130 Ų | 130 | 92.4 Ų | 92.4 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -91.2 | -6.6 | -179.1 | -71.6 | -56.4 | 0 | 0 | 0 | 114.6 | I1305 S1306 | I1305-H1308 PolarHBondContact O-N 3.14Å; S1306-H1308 PolarHBondContact O-N 3.48Å; S1306-H1308 VanDerWaalsContact O-N 3.16Å |
| 1309 | Q | 40.4 | Very low | 47.6 | Very low | 135 Ų | 135 | 98 Ų | 98 | 63% | 0.631 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -94.1 | -8 | -174.7 | -71.5 | -169.4 | -11 | 0 | 0 | 115.5 | S1306 K1311 | S1306-Q1309 PolarHBondContact O-N 2.95Å; Q1309-K1311 PolarHBondContact O-N 3.2Å |
| 1310 | T | 28.7 | Very low | 45.1 | Very low | 118 Ų | 118 | 103 Ų | 103 | 72% | 0.724 | 58% | 0.578 | S | S | * | * | trans | -92.8 | 89.1 | 174.5 | 41.1 | 0 | 0 | 0 | 0 | 111.1 | P1312 | T1310-P1312 WeakPolarHBondContact O-CD 3.41Š| ||
| 1311 | K | 27.2 | Very low | 42.7 | Very low | 197 Ų | 197 | 109.5 Ų | 109.5 | 86% | 0.857 | 61% | 0.612 | S | S | * | * | trans | -66.5 | 123.8 | 158.3 | -90.1 | 179.4 | 176.6 | 173.5 | 0 | 107.4 | Q1309 E1313 | Q1309-K1311 PolarHBondContact O-N 3.2Å; K1311-E1313 PolarHBondContact O-N 3.06Å | ||
| 1312 | P | 29.7 | Very low | 40.5 | Very low | 125 Ų | 125 | 112.3 Ų | 112.3 | 81% | 0.812 | 64% | 0.636 | S | S | * | * | trans | -69.2 | 109.3 | 176.5 | 27.4 | -30 | 0 | 0 | 0 | 108.1 | T1310 S1314 | T1310-P1312 WeakPolarHBondContact O-CD 3.41Å; P1312-S1314 PolarHBondContact O-N 2.86Å | ||
| 1313 | E | 30.4 | Very low | 38.4 | Very low | 187 Ų | 187 | 118 Ų | 118 | 87% | 0.874 | 66% | 0.656 | S | S | * | * | trans | -62.6 | 123.3 | 164 | -75.6 | -175.6 | 157.8 | 0 | 0 | 108.1 | K1311 Q1315 | K1311-E1313 PolarHBondContact O-N 3.06Å; E1313-Q1315 PolarHBondContact O-N 3.3Å | ||
| 1314 | S | 29.8 | Very low | 36.3 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 78% | 0.783 | 68% | 0.676 | S | S | * | * | trans | -52.1 | 110 | 178.3 | 50.5 | 0 | 0 | 0 | 0 | 112.2 | P1312 | P1312-S1314 PolarHBondContact O-N 2.86Š| ||
| 1315 | Q | 30.5 | Very low | 34.3 | Very low | 191 Ų | 191 | 128.4 Ų | 128.4 | 89% | 0.893 | 71% | 0.709 | S | S | * | * | trans | -143.9 | 142.7 | 154.6 | -75.7 | -161.6 | -21.3 | 0 | 0 | 111.5 | E1313 | E1313-Q1315 PolarHBondContact O-N 3.3Š| ||
| 1316 | D | 29.6 | Very low | 32.2 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | trans | -70.1 | 146 | -157.7 | -67.2 | -63.9 | 0 | 0 | 0 | 116.1 | ||||
| 1317 | S | 27.1 | Very low | 30.8 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | 33.5 | 101.9 | 145.5 | 65 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1318 | H | 28.8 | Very low | 30.1 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | -158.8 | 129.8 | 126.8 | -93.7 | -65.5 | 0 | 0 | 0 | 108.9 | S1320 | H1318-S1320 PolarHBondContact O-N 3.09Å; H1318-S1320 VanDerWaalsContact O-N 3.1Å | |||
| 1319 | P | 35.9 | Very low | 30.2 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -83.1 | 88.9 | -178.6 | 33.1 | -29.1 | 0 | 0 | 0 | 108.6 | ||||
| 1320 | S | 27.5 | Very low | 30.8 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -89.5 | 135.7 | 165.2 | 35.8 | 0 | 0 | 0 | 0 | 109.8 | H1318 | H1318-S1320 PolarHBondContact O-N 3.09Å; H1318-S1320 VanDerWaalsContact O-N 3.1Å | ||
| 1321 | D | 26 | Very low | 32.2 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | trans | -40.8 | 151.1 | -170.5 | -72.6 | -52.2 | 0 | 0 | 0 | 116.4 | I1323 | D1321-I1323 PolarHBondContact O-N 3.13Š| ||
| 1322 | P | 28.7 | Very low | 33.7 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | -62.2 | 112.4 | -175.8 | 27.2 | -32.9 | 0 | 0 | 0 | 108.7 | H1324 | P1322-H1324 VanDerWaalsContact C-N 3.29Å; P1322-H1324 PolarHBondContact O-N 2.78Å | ||
| 1323 | I | 25.4 | Very low | 35.2 | Very low | 159 Ų | 159 | 121.3 Ų | 121.3 | 82% | 0.815 | 67% | 0.668 | S | S | * | * | trans | -52.7 | 100.6 | 166.7 | -61.7 | 166.6 | 0 | 0 | 0 | 105.7 | D1321 | D1321-I1323 PolarHBondContact O-N 3.13Š| ||
| 1324 | H | 23.4 | Very low | 36.5 | Very low | 155 Ų | 155 | 115.4 Ų | 115.4 | 72% | 0.718 | 64% | 0.641 | S | S | * | * | trans | -49.8 | 130.6 | 161.8 | -101.2 | -90.4 | 0 | 0 | 0 | 105.6 | P1322 M1326 | P1322-H1324 VanDerWaalsContact C-N 3.29Å; P1322-H1324 PolarHBondContact O-N 2.78Å; H1324-M1326 PolarHBondContact O-N 3.19Å | ||
| 1325 | P | 27.4 | Very low | 38 | Very low | 114 Ų | 114 | 116.8 Ų | 116.8 | 74% | 0.74 | 63% | 0.633 | S | S | * | * | trans | -66.4 | 87.6 | 175.8 | 28.2 | -30.6 | 0 | 0 | 0 | 105.9 | D1327 | P1325-D1327 PolarHBondContact O-N 3.04Š| ||
| 1326 | M | 24.3 | Very low | 39 | Very low | 165 Ų | 165 | 110.5 Ų | 110.5 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | trans | -48.1 | 114.6 | 163.8 | -70.8 | -74.3 | -74 | 0 | 0 | 104.3 | H1324 E1328 | H1324-M1326 PolarHBondContact O-N 3.19Å; M1326-E1328 PolarHBondContact O-N 3.4Å | ||
| 1327 | D | 29.9 | Very low | 40.2 | Very low | 156 Ų | 156 | 108.5 Ų | 108.5 | 83% | 0.834 | 60% | 0.598 | S | S | * | * | trans | -41.9 | 105.7 | -178 | -78.3 | -54.9 | 0 | 0 | 0 | 108.9 | P1325 P1329 | P1325-D1327 PolarHBondContact O-N 3.04Å; D1327-P1329 VanDerWaalsContact O-CD 3.27Å; D1327-P1329 WeakPolarHBondContact O-CD 3.21Å | ||
| 1328 | E | 38.1 | Very low | 42 | Very low | 144 Ų | 144 | 104 Ų | 104 | 67% | 0.673 | 57% | 0.567 | S | S | * | * | trans | -55.1 | 122.4 | 171.7 | -87.6 | -168.7 | 164.3 | 0 | 0 | 105.5 | M1326 F1330 S1331 | M1326-E1328 PolarHBondContact O-N 3.4Å; E1328-F1330 PolarHBondContact O-N 3.11Å; E1328-S1331 PolarHBondContact O-N 3.45Å | ||
| 1329 | P | 44.5 | Very low | 43.9 | Very low | 81 Ų | 81 | 96.3 Ų | 96.3 | 53% | 0.526 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -3.7 | -172.7 | 16.6 | -26.5 | 0 | 0 | 0 | 113.6 | L1198 D1327 | L1198-P1329 HydrophobicContact CD2-CB 4.1Å; L1198-P1329 WeakPolarHBondContact CD2-O 3.33Å; D1327-P1329 VanDerWaalsContact O-CD 3.27Å; D1327-P1329 WeakPolarHBondContact O-CD 3.21Å |
| 1330 | F | 54.4 | Low | 45.4 | Very low | 50 Ų | 50 | 92.5 Ų | 92.5 | 22% | 0.219 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | 53.1 | -176.2 | -51 | -72.8 | 0 | 0 | 0 | 112.9 | T1194 T1197 Y1242 E1328 | T1194-F1330 HydrophobicContact CG2-CE1 3.85Å; T1194-F1330 HydrophobicContact CG2-CZ 3.55Å; T1197-F1330 HydrophobicContact CG2-CD1 4Å; T1197-F1330 HydrophobicContact CG2-CE1 4.41Å; Y1242-F1330 HydrophobicContact CD1-CB 3.87Å; Y1242-F1330 WeakPolarHBondContact CD1-O 3.28Å; Y1242-F1330 HydrophobicContact CD2-CB 3.87Å; Y1242-F1330 HydrophobicContact CD2-CD1 4.47Å; Y1242-F1330 HydrophobicContact CD2-CG 4.23Å; Y1242-F1330 HydrophobicContact CE1-CB 3.9Å; Y1242-F1330 WeakPolarHBondContact CE1-O 3.23Å; Y1242-F1330 HydrophobicContact CE2-CB 3.9Å; Y1242-F1330 HydrophobicContact CE2-CG 4.44Å; Y1242-F1330 HydrophobicContact CG-CB 3.84Å; Y1242-F1330 HydrophobicContact CG-CG 4.46Å; E1328-F1330 PolarHBondContact O-N 3.11Å |
| 1331 | S | 58.2 | Low | 47.5 | Very low | 70 Ų | 70 | 91.3 Ų | 91.3 | 49% | 0.49 | 49% | 0.486 | S | S | . | . | trans | -93.7 | 116.4 | 166.9 | -177.2 | 0 | 0 | 0 | 0 | 111 | E1328 | E1328-S1331 PolarHBondContact O-N 3.45Š| ||
| 1332 | L | 58.4 | Low | 49.9 | Very low | 9 Ų | 9 | 84.5 Ų | 84.5 | 5% | 0.047 | 45% | 0.45 | C | S | . | . | trans | -60.5 | 136.1 | 162.1 | -74.6 | 160.3 | 0 | 0 | 0 | 108.7 | Y1242 Q1249 L1295 I1298 M1334 | Y1242-L1332 HydrophobicContact CD1-CD1 4.5Å; Y1242-L1332 HydrophobicContact CD1-CG 4.47Å; Q1249-L1332 HydrophobicContact CG-CD2 4.36Å; L1295-L1332 HydrophobicContact CD2-CD1 3.94Å; I1298-L1332 HydrophobicContact CG2-CD1 4.37Å; L1332-M1334 WeakPolarHBondContact O-CG 3.36Å; L1332-M1334 PolarHBondContact O-N 3.18Å | ||
| 1333 | D | 61.9 | Low | 52.2 | Low | 31 Ų | 31 | 79.1 Ų | 79.1 | 17% | 0.166 | 42% | 0.415 | C | S | . | . | trans | -67.4 | 107.4 | 175.6 | -168.8 | -12.6 | 0 | 0 | 0 | 109.9 | Y1204 Q1249 K1335 S1338 | Y1204-D1333 HydrophobicContact CE1-CB 3.68Å; Q1249-D1333 PolarHBondContact NE2-O 3.14Å; D1333-K1335 PolarHBondContact O-N 3.37Å; D1333-K1335 WeakPolarHBondContact OD1-CB 2.98Å; D1333-K1335 WeakPolarHBondContact OD1-CD 3.37Å; D1333-K1335 WeakPolarHBondContact OD1-CG 3.42Å; D1333-K1335 PolarHBondContact OD1-N 2.98Å; D1333-K1335 VanDerWaalsContact OD1-N 3.16Å; D1333-K1335 IonicContact OD1-NZ 3.62Å; D1333-K1335 WeakPolarHBondContact OD2-CD 3.19Å; D1333-K1335 WeakPolarHBondContact OD2-CE 3.43Å; D1333-K1335 IonicContact OD2-NZ 2.66Å; D1333-K1335 PolarHBondContact OD2-NZ 2.96Å; D1333-S1338 PolarHBondContact O-OG 2.83Å; D1333-S1338 VanDerWaalsContact O-OG 3.09Å | ||
| 1334 | M | 57 | Low | 54.7 | Low | 62 Ų | 62 | 74 Ų | 74 | 31% | 0.305 | 39% | 0.394 | S | S | . | . | trans | -84.1 | 14.9 | -175.6 | -63 | -66.2 | -83.1 | 0 | 0 | 113.5 | I1298 L1332 F1339 | I1298-M1334 HydrophobicContact CG2-CE 4.42Å; I1298-M1334 HydrophobicContact CG2-SD 4.38Å; I1298-M1334 WeakPolarHBondContact O-CE 3.37Å; L1332-M1334 WeakPolarHBondContact O-CG 3.36Å; L1332-M1334 PolarHBondContact O-N 3.18Å; M1334-F1339 HydrophobicContact CE-CD2 3.47Å; M1334-F1339 VanDerWaalsContact CE-CD2 3.47Å; M1334-F1339 HydrophobicContact CE-CE2 3.42Å; M1334-F1339 VanDerWaalsContact CE-CE2 3.42Å; M1334-F1339 HydrophobicContact SD-CD2 3.72Å; M1334-F1339 HydrophobicContact SD-CE2 4.25Å | ||
| 1335 | K | 60.5 | Low | 57.2 | Low | 142 Ų | 142 | 69.1 Ų | 69.1 | 62% | 0.617 | 37% | 0.372 | S | S | * | . | trans | -55.7 | 144.2 | 169.9 | -76.7 | 170.3 | -161 | 144.7 | 0 | 111.1 | D1333 I1337 S1338 F1339 | D1333-K1335 PolarHBondContact O-N 3.37Å; D1333-K1335 WeakPolarHBondContact OD1-CB 2.98Å; D1333-K1335 WeakPolarHBondContact OD1-CD 3.37Å; D1333-K1335 WeakPolarHBondContact OD1-CG 3.42Å; D1333-K1335 PolarHBondContact OD1-N 2.98Å; D1333-K1335 VanDerWaalsContact OD1-N 3.16Å; D1333-K1335 IonicContact OD1-NZ 3.62Å; D1333-K1335 WeakPolarHBondContact OD2-CD 3.19Å; D1333-K1335 WeakPolarHBondContact OD2-CE 3.43Å; D1333-K1335 IonicContact OD2-NZ 2.66Å; D1333-K1335 PolarHBondContact OD2-NZ 2.96Å; K1335-I1337 VanDerWaalsContact C-N 3.33Å; K1335-I1337 PolarHBondContact O-N 2.75Å; K1335-I1337 VanDerWaalsContact O-N 3.12Å; K1335-S1338 PolarHBondContact O-N 3.03Å; K1335-S1338 PolarHBondContact O-OG 3.46Å; K1335-S1338 VanDerWaalsContact O-OG 3.06Å; K1335-F1339 WeakPolarHBondContact O-CB 3.39Å; K1335-F1339 PolarHBondContact O-N 3.05Å | ||
| 1336 | S | 52.4 | Low | 59.8 | Low | 59 Ų | 59 | 63.7 Ų | 63.7 | 41% | 0.413 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.8 | -35.2 | -161.6 | 60.8 | 0 | 0 | 0 | 0 | 115.6 | T1340 | S1336-T1340 WeakPolarHBondContact O-CB 3.43Å; S1336-T1340 PolarHBondContact O-N 2.93Å; S1336-T1340 PolarHBondContact O-OG1 3.49Å |
| 1337 | I | 55.4 | Low | 62.6 | Low | 112 Ų | 112 | 56.9 Ų | 56.9 | 57% | 0.574 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -78.6 | -48.6 | -173.3 | -57.6 | 165.3 | 0 | 0 | 0 | 110.6 | E1252 L1256 K1335 T1340 K1341 | E1252-I1337 WeakPolarHBondContact OE1-CG2 3.39Å; L1256-I1337 HydrophobicContact CD2-CG2 4.47Å; K1335-I1337 VanDerWaalsContact C-N 3.33Å; K1335-I1337 PolarHBondContact O-N 2.75Å; K1335-I1337 VanDerWaalsContact O-N 3.12Å; I1337-T1340 PolarHBondContact O-N 3.38Å; I1337-K1341 PolarHBondContact O-N 3.24Å |
| 1338 | S | 63.9 | Low | 65 | Low | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 177.4 | 58 | 0 | 0 | 0 | 0 | 112.4 | E1252 D1333 K1335 T1340 K1341 V1342 | E1252-S1338 VanDerWaalsContact OE1-CA 3.27Å; E1252-S1338 WeakPolarHBondContact OE1-CA 3.11Å; E1252-S1338 PolarHBondContact OE1-N 3.19Å; E1252-S1338 WeakPolarHBondContact OE2-CA 3.25Å; E1252-S1338 WeakPolarHBondContact OE2-CB 3.31Å; D1333-S1338 PolarHBondContact O-OG 2.83Å; D1333-S1338 VanDerWaalsContact O-OG 3.09Å; K1335-S1338 PolarHBondContact O-N 3.03Å; K1335-S1338 PolarHBondContact O-OG 3.46Å; K1335-S1338 VanDerWaalsContact O-OG 3.06Å; S1338-T1340 PolarHBondContact O-N 3.02Å; S1338-K1341 PolarHBondContact O-N 3.36Å; S1338-V1342 WeakPolarHBondContact O-CG2 3.44Å; S1338-V1342 PolarHBondContact O-N 3.07Å |
| 1339 | F | 68.2 | Low | 67.1 | Low | 12 Ų | 12 | 47.2 Ų | 47.2 | 5% | 0.053 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.2 | -51.3 | 175.4 | 167.1 | -91.3 | 0 | 0 | 0 | 112.7 | C1299 M1334 K1335 K1341 V1342 A1343 I1395 R1396 I1399 | C1299-F1339 HydrophobicContact CB-CE2 3.84Å; C1299-F1339 HydrophobicContact CB-CZ 3.98Å; C1299-F1339 WeakPolarHBondContact O-CE2 3.29Å; C1299-F1339 WeakPolarHBondContact O-CZ 3.41Å; M1334-F1339 HydrophobicContact CE-CD2 3.47Å; M1334-F1339 VanDerWaalsContact CE-CD2 3.47Å; M1334-F1339 HydrophobicContact CE-CE2 3.42Å; M1334-F1339 VanDerWaalsContact CE-CE2 3.42Å; M1334-F1339 HydrophobicContact SD-CD2 3.72Å; M1334-F1339 HydrophobicContact SD-CE2 4.25Å; K1335-F1339 WeakPolarHBondContact O-CB 3.39Å; K1335-F1339 PolarHBondContact O-N 3.05Å; F1339-K1341 PolarHBondContact O-N 3.2Å; F1339-V1342 PolarHBondContact O-N 3.46Å; F1339-A1343 WeakPolarHBondContact O-CB 3.48Å; F1339-A1343 PolarHBondContact O-N 3.34Å; F1339-I1395 HydrophobicContact CE1-CG2 4.33Å; F1339-R1396 HydrophobicContact CE1-CG 4.14Å; F1339-R1396 HydrophobicContact CZ-CG 3.7Å; F1339-I1399 HydrophobicContact CE1-CD1 3.62Å; F1339-I1399 HydrophobicContact CZ-CD1 3.97Å |
| 1340 | T | 68.7 | Low | 69.1 | Low | 50 Ų | 50 | 43.3 Ų | 43.3 | 31% | 0.307 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.4 | -34 | -175.8 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | S1336 I1337 S1338 S1344 I1395 | S1336-T1340 WeakPolarHBondContact O-CB 3.43Å; S1336-T1340 PolarHBondContact O-N 2.93Å; S1336-T1340 PolarHBondContact O-OG1 3.49Å; I1337-T1340 PolarHBondContact O-N 3.38Å; S1338-T1340 PolarHBondContact O-N 3.02Å; T1340-S1344 WeakPolarHBondContact O-CB 3.13Å; T1340-S1344 PolarHBondContact O-N 3.36Å; T1340-S1344 PolarHBondContact O-OG 3.16Å; T1340-I1395 HydrophobicContact CG2-CG2 3.99Å |
| 1341 | K | 71.4 | Confident | 70.5 | Confident | 84 Ų | 84 | 43.8 Ų | 43.8 | 37% | 0.365 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -73.1 | -44.8 | 178.9 | -158.2 | 70.9 | 176.4 | -178.9 | 0 | 112.5 | E1252 I1337 S1338 F1339 A1343 S1344 L1345 | E1252-K1341 HydrophobicContact CG-CB 4.12Å; E1252-K1341 HydrophobicContact CG-CG 4.18Å; I1337-K1341 PolarHBondContact O-N 3.24Å; S1338-K1341 PolarHBondContact O-N 3.36Å; F1339-K1341 PolarHBondContact O-N 3.2Å; K1341-A1343 VanDerWaalsContact C-N 3.26Å; K1341-A1343 PolarHBondContact O-N 2.85Å; K1341-S1344 WeakPolarHBondContact CA-OG 3.4Å; K1341-S1344 PolarHBondContact O-N 3.49Å; K1341-S1344 VanDerWaalsContact O-N 3.17Å; K1341-S1344 PolarHBondContact O-OG 2.85Å; K1341-L1345 HydrophobicContact CG-CD1 4.16Å; K1341-L1345 PolarHBondContact O-N 3.43Å |
| 1342 | V | 76.8 | Confident | 71.6 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.1 | -46.4 | 173.1 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | I1248 Q1249 S1338 F1339 S1346 | I1248-V1342 HydrophobicContact CB-CG2 4.2Å; I1248-V1342 HydrophobicContact CG2-CB 4.32Å; I1248-V1342 HydrophobicContact CG2-CG2 3.78Å; Q1249-V1342 HydrophobicContact CG-CG2 3.63Å; S1338-V1342 WeakPolarHBondContact O-CG2 3.44Å; S1338-V1342 PolarHBondContact O-N 3.07Å; F1339-V1342 PolarHBondContact O-N 3.46Å; V1342-S1346 VanDerWaalsContact O-CB 3.25Å; V1342-S1346 WeakPolarHBondContact O-CB 3.39Å; V1342-S1346 PolarHBondContact O-N 3.05Å; V1342-S1346 PolarHBondContact O-OG 3.34Å |
| 1343 | A | 77.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -49.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | C1299 F1339 K1341 L1345 S1346 L1347 I1399 | C1299-A1343 HydrophobicContact CB-CB 3.79Å; F1339-A1343 WeakPolarHBondContact O-CB 3.48Å; F1339-A1343 PolarHBondContact O-N 3.34Å; K1341-A1343 VanDerWaalsContact C-N 3.26Å; K1341-A1343 PolarHBondContact O-N 2.85Å; A1343-L1345 PolarHBondContact O-N 3.09Å; A1343-S1346 PolarHBondContact O-N 3.14Å; A1343-L1347 WeakPolarHBondContact O-CB 3.32Å; A1343-L1347 PolarHBondContact O-N 3.46Å; A1343-I1399 HydrophobicContact CB-CD1 3.48Å; A1343-I1399 VanDerWaalsContact CB-CD1 3.48Å; A1343-I1399 HydrophobicContact CB-CG1 4.04Å; A1343-I1399 HydrophobicContact CB-CG2 4.02Å |
| 1344 | S | 76.1 | Confident | 73.7 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.5 | -41.8 | -177.7 | 71.1 | 0 | 0 | 0 | 0 | 113.5 | T1340 K1341 A1348 | T1340-S1344 WeakPolarHBondContact O-CB 3.13Å; T1340-S1344 PolarHBondContact O-N 3.36Å; T1340-S1344 PolarHBondContact O-OG 3.16Å; K1341-S1344 WeakPolarHBondContact CA-OG 3.4Å; K1341-S1344 PolarHBondContact O-N 3.49Å; K1341-S1344 VanDerWaalsContact O-N 3.17Å; K1341-S1344 PolarHBondContact O-OG 2.85Å; S1344-A1348 WeakPolarHBondContact O-CB 3.44Å; S1344-A1348 PolarHBondContact O-N 2.97Å |
| 1345 | L | 77.8 | Confident | 74.8 | Confident | 51 Ų | 51 | 42.4 Ų | 42.4 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -73.2 | -41 | -179.9 | -75 | 168.7 | 0 | 0 | 0 | 111.3 | I1248 M1273 K1341 A1343 L1347 A1348 Q1349 | I1248-L1345 HydrophobicContact CG2-CB 4.48Å; I1248-L1345 HydrophobicContact CG2-CD1 3.58Å; M1273-L1345 HydrophobicContact SD-CD1 3.99Å; M1273-L1345 HydrophobicContact SD-CD2 4.37Å; K1341-L1345 HydrophobicContact CG-CD1 4.16Å; K1341-L1345 PolarHBondContact O-N 3.43Å; A1343-L1345 PolarHBondContact O-N 3.09Å; L1345-L1347 VanDerWaalsContact C-N 3.32Å; L1345-L1347 PolarHBondContact O-N 2.87Å; L1345-A1348 PolarHBondContact O-N 3.18Å; L1345-Q1349 WeakPolarHBondContact O-CG 3.47Å; L1345-Q1349 PolarHBondContact O-N 2.93Å |
| 1346 | S | 81.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 174.7 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | V1342 A1343 Q1349 L1350 | V1342-S1346 VanDerWaalsContact O-CB 3.25Å; V1342-S1346 WeakPolarHBondContact O-CB 3.39Å; V1342-S1346 PolarHBondContact O-N 3.05Å; V1342-S1346 PolarHBondContact O-OG 3.34Å; A1343-S1346 PolarHBondContact O-N 3.14Å; S1346-Q1349 PolarHBondContact O-N 3.2Å; S1346-L1350 WeakPolarHBondContact O-CB 3.32Å; S1346-L1350 PolarHBondContact O-N 3.48Å |
| 1347 | L | 82.7 | Confident | 77.4 | Confident | 22 Ų | 22 | 36.4 Ų | 36.4 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 177.1 | -174.1 | 62.3 | 0 | 0 | 0 | 112.4 | A1343 L1345 Q1349 L1350 S1351 E1402 T1403 V1406 | A1343-L1347 WeakPolarHBondContact O-CB 3.32Å; A1343-L1347 PolarHBondContact O-N 3.46Å; L1345-L1347 VanDerWaalsContact C-N 3.32Å; L1345-L1347 PolarHBondContact O-N 2.87Å; L1347-Q1349 VanDerWaalsContact C-N 3.35Å; L1347-Q1349 PolarHBondContact O-N 2.91Å; L1347-L1350 HydrophobicContact CD1-CD2 4.39Å; L1347-L1350 PolarHBondContact O-N 3.22Å; L1347-S1351 WeakPolarHBondContact O-CB 3.38Å; L1347-S1351 PolarHBondContact O-N 2.83Å; L1347-E1402 HydrophobicContact CD2-CB 3.79Å; L1347-E1402 HydrophobicContact CD2-CG 3.71Å; L1347-T1403 HydrophobicContact CD1-CG2 4.48Å; L1347-V1406 HydrophobicContact CD1-CB 4.42Å; L1347-V1406 HydrophobicContact CD1-CG2 4.01Å |
| 1348 | A | 80.7 | Confident | 78.7 | Confident | 55 Ų | 55 | 34.6 Ų | 34.6 | 46% | 0.455 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | S1344 L1345 S1351 C1352 | S1344-A1348 WeakPolarHBondContact O-CB 3.44Å; S1344-A1348 PolarHBondContact O-N 2.97Å; L1345-A1348 PolarHBondContact O-N 3.18Å; A1348-S1351 PolarHBondContact O-N 3.08Å; A1348-C1352 WeakPolarHBondContact O-CB 3.44Å; A1348-C1352 PolarHBondContact O-N 3.31Å |
| 1349 | Q | 81.3 | Confident | 79.5 | Confident | 42 Ų | 42 | 39.3 Ų | 39.3 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.1 | -40.1 | 174.3 | -70.9 | -62 | -24.8 | 0 | 0 | 112 | Y1280 L1292 L1345 S1346 L1347 S1351 C1352 R1353 | Y1280-Q1349 HydrophobicContact CD2-CG 4.24Å; Y1280-Q1349 HydrophobicContact CE2-CG 4.2Å; L1292-Q1349 HydrophobicContact CD1-CB 4.26Å; L1292-Q1349 HydrophobicContact CD2-CB 3.73Å; L1345-Q1349 WeakPolarHBondContact O-CG 3.47Å; L1345-Q1349 PolarHBondContact O-N 2.93Å; S1346-Q1349 PolarHBondContact O-N 3.2Å; L1347-Q1349 VanDerWaalsContact C-N 3.35Å; L1347-Q1349 PolarHBondContact O-N 2.91Å; Q1349-S1351 VanDerWaalsContact C-N 3.34Å; Q1349-S1351 PolarHBondContact O-N 3.37Å; Q1349-C1352 PolarHBondContact O-N 3Å; Q1349-R1353 WeakPolarHBondContact O-CB 3.34Å; Q1349-R1353 WeakPolarHBondContact O-CG 3.4Å; Q1349-R1353 PolarHBondContact O-N 3.49Å |
| 1350 | L | 86 | Confident | 80.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -43.1 | 174.2 | -176.1 | 63.6 | 0 | 0 | 0 | 111.5 | L1289 L1292 L1293 S1346 L1347 R1353 S1354 T1403 V1406 M1410 | L1289-L1350 HydrophobicContact CD1-CD1 3.65Å; L1292-L1350 HydrophobicContact CB-CB 4.44Å; L1292-L1350 HydrophobicContact CB-CD1 4.1Å; L1293-L1350 HydrophobicContact CD2-CD1 4.21Å; L1293-L1350 HydrophobicContact CD2-CD2 4.1Å; L1293-L1350 HydrophobicContact CG-CD1 4.41Å; S1346-L1350 WeakPolarHBondContact O-CB 3.32Å; S1346-L1350 PolarHBondContact O-N 3.48Å; L1347-L1350 HydrophobicContact CD1-CD2 4.39Å; L1347-L1350 PolarHBondContact O-N 3.22Å; L1350-R1353 PolarHBondContact O-N 3.44Å; L1350-S1354 WeakPolarHBondContact O-CB 3.4Å; L1350-S1354 PolarHBondContact O-N 3.21Å; L1350-T1403 HydrophobicContact CD2-CG2 4.39Å; L1350-V1406 HydrophobicContact CD2-CG1 4.3Å; L1350-V1406 HydrophobicContact CG-CG1 4.03Å; L1350-M1410 HydrophobicContact CD1-CE 3.84Å; L1350-M1410 HydrophobicContact CG-CE 4.38Å |
| 1351 | S | 84.6 | Confident | 81.1 | Confident | 60 Ų | 60 | 37.9 Ų | 37.9 | 42% | 0.42 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 175.8 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | L1347 A1348 Q1349 S1354 S1355 | L1347-S1351 WeakPolarHBondContact O-CB 3.38Å; L1347-S1351 PolarHBondContact O-N 2.83Å; A1348-S1351 PolarHBondContact O-N 3.08Å; Q1349-S1351 VanDerWaalsContact C-N 3.34Å; Q1349-S1351 PolarHBondContact O-N 3.37Å; S1351-S1354 WeakPolarHBondContact O-CB 3.45Å; S1351-S1354 PolarHBondContact O-N 3.09Å; S1351-S1355 PolarHBondContact O-N 2.87Å; S1351-S1355 VanDerWaalsContact O-N 3.08Å |
| 1352 | C | 80.8 | Confident | 81.6 | Confident | 39 Ų | 39 | 40.8 Ų | 40.8 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 175.9 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | A1348 Q1349 S1354 S1355 E1356 | A1348-C1352 WeakPolarHBondContact O-CB 3.44Å; A1348-C1352 PolarHBondContact O-N 3.31Å; Q1349-C1352 PolarHBondContact O-N 3Å; C1352-S1354 PolarHBondContact O-N 3.39Å; C1352-S1355 PolarHBondContact O-N 3.04Å; C1352-S1355 VanDerWaalsContact O-N 3.16Å; C1352-S1355 PolarHBondContact O-OG 3.23Å; C1352-E1356 PolarHBondContact O-N 3.32Å |
| 1353 | R | 82.4 | Confident | 81.9 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 9% | 0.087 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.8 | -74.6 | -67.5 | 174.1 | 142.2 | 10 | 113.4 | Y1280 T1281 L1289 L1292 Q1349 L1350 S1355 E1356 I1357 Y1360 | Y1280-R1353 PolarHBondContact O-NH2 3.41Å; T1281-R1353 VanDerWaalsContact N-NH2 3.1Å; L1289-R1353 HydrophobicContact CD1-CB 4.37Å; L1292-R1353 HydrophobicContact CD1-CG 4.11Å; Q1349-R1353 WeakPolarHBondContact O-CB 3.34Å; Q1349-R1353 WeakPolarHBondContact O-CG 3.4Å; Q1349-R1353 PolarHBondContact O-N 3.49Å; L1350-R1353 PolarHBondContact O-N 3.44Å; R1353-S1355 VanDerWaalsContact C-N 3.27Å; R1353-S1355 PolarHBondContact O-N 2.98Å; R1353-E1356 CarbonylContact O-C 3.58Å; R1353-E1356 PolarHBondContact O-N 3.05Å; R1353-E1356 VanDerWaalsContact O-N 3.12Å; R1353-I1357 PolarHBondContact O-N 3.31Å; R1353-Y1360 PolarHBondContact O-OH 3.17Å |
| 1354 | S | 82.8 | Confident | 82.3 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.3 | -46.3 | 172.8 | -175.6 | 0 | 0 | 0 | 0 | 111 | L1350 S1351 C1352 E1356 I1357 M1410 | L1350-S1354 WeakPolarHBondContact O-CB 3.4Å; L1350-S1354 PolarHBondContact O-N 3.21Å; S1351-S1354 WeakPolarHBondContact O-CB 3.45Å; S1351-S1354 PolarHBondContact O-N 3.09Å; C1352-S1354 PolarHBondContact O-N 3.39Å; S1354-E1356 PolarHBondContact O-N 3.17Å; S1354-I1357 VanDerWaalsContact O-CB 3.28Å; S1354-I1357 WeakPolarHBondContact O-CB 3.38Å; S1354-I1357 WeakPolarHBondContact O-CG2 3.45Å; S1354-I1357 PolarHBondContact O-N 3.48Å; S1354-M1410 VanDerWaalsContact OG-CA 3.29Å; S1354-M1410 WeakPolarHBondContact OG-CA 3.44Å; S1354-M1410 WeakPolarHBondContact OG-CB 3.37Å; S1354-M1410 WeakPolarHBondContact OG-CG 3.12Å |
| 1355 | S | 79.4 | Confident | 82.8 | Confident | 73 Ų | 73 | 50 Ų | 50 | 51% | 0.51 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.4 | -22.6 | -179.6 | 69.2 | 0 | 0 | 0 | 0 | 114.2 | S1351 C1352 R1353 | S1351-S1355 PolarHBondContact O-N 2.87Å; S1351-S1355 VanDerWaalsContact O-N 3.08Å; C1352-S1355 PolarHBondContact O-N 3.04Å; C1352-S1355 VanDerWaalsContact O-N 3.16Å; C1352-S1355 PolarHBondContact O-OG 3.23Å; R1353-S1355 VanDerWaalsContact C-N 3.27Å; R1353-S1355 PolarHBondContact O-N 2.98Å |
| 1356 | E | 82.3 | Confident | 83.2 | Confident | 75 Ų | 75 | 49 Ų | 49 | 35% | 0.35 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -96.3 | -0.1 | 177.8 | -67.1 | 179.3 | -179.3 | 0 | 0 | 112.6 | C1352 R1353 S1354 R1358 N1359 Y1360 | C1352-E1356 PolarHBondContact O-N 3.32Å; R1353-E1356 CarbonylContact O-C 3.58Å; R1353-E1356 PolarHBondContact O-N 3.05Å; R1353-E1356 VanDerWaalsContact O-N 3.12Å; S1354-E1356 PolarHBondContact O-N 3.17Å; E1356-R1358 PolarHBondContact O-N 3.25Å; E1356-N1359 VanDerWaalsContact O-CB 3.3Å; E1356-N1359 WeakPolarHBondContact O-CB 3.21Å; E1356-N1359 PolarHBondContact O-N 3.23Å; E1356-Y1360 HydrophobicContact CB-CE1 4.02Å; E1356-Y1360 WeakPolarHBondContact O-CD1 3.38Å; E1356-Y1360 WeakPolarHBondContact O-CE1 3.46Å |
| 1357 | I | 85.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -56.4 | -32.4 | -170.4 | -161 | 160.9 | 0 | 0 | 0 | 112.8 | R1353 S1354 N1359 Y1360 I1361 I1364 M1410 E1413 I1414 | R1353-I1357 PolarHBondContact O-N 3.31Å; S1354-I1357 VanDerWaalsContact O-CB 3.28Å; S1354-I1357 WeakPolarHBondContact O-CB 3.38Å; S1354-I1357 WeakPolarHBondContact O-CG2 3.45Å; S1354-I1357 PolarHBondContact O-N 3.48Å; I1357-N1359 PolarHBondContact O-N 2.97Å; I1357-N1359 VanDerWaalsContact O-N 3.16Å; I1357-Y1360 HydrophobicContact CG1-CE2 4.04Å; I1357-Y1360 PolarHBondContact O-N 3.27Å; I1357-I1361 WeakPolarHBondContact O-CA 3.23Å; I1357-I1361 WeakPolarHBondContact O-CB 3.47Å; I1357-I1361 PolarHBondContact O-N 3.07Å; I1357-I1364 HydrophobicContact CD1-CD1 3.82Å; I1357-I1364 HydrophobicContact CG1-CD1 3.63Å; I1357-M1410 HydrophobicContact CD1-CG 3.54Å; I1357-M1410 HydrophobicContact CD1-SD 3.83Å; I1357-E1413 HydrophobicContact CG2-CB 4.31Å; I1357-E1413 HydrophobicContact CG2-CG 3.88Å; I1357-I1414 HydrophobicContact CD1-CD1 3.62Å; I1357-I1414 HydrophobicContact CD1-CG1 3.6Å; I1357-I1414 HydrophobicContact CG1-CG1 4.35Å; I1357-I1414 HydrophobicContact CG2-CG1 4.47Å |
| 1358 | R | 82.2 | Confident | 83.4 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 28% | 0.279 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -50.2 | -39.6 | 174.1 | -170.6 | 180 | -56.1 | -167.4 | 7.4 | 112.6 | E1356 Y1360 E1413 H1454 C1455 I1457 | E1356-R1358 PolarHBondContact O-N 3.25Å; R1358-Y1360 VanDerWaalsContact C-N 3.28Å; R1358-Y1360 PolarHBondContact O-N 3.04Å; R1358-E1413 IonicContact CZ-OE1 3.66Å; R1358-E1413 IonicContact NE-OE1 3.65Å; R1358-E1413 PolarHBondContact NE-OE1 3Å; R1358-E1413 IonicContact NH2-OE1 2.84Å; R1358-E1413 PolarHBondContact NH2-OE1 2.92Å; R1358-H1454 PolarHBondContact NH1-O 2.83Å; R1358-C1455 WeakPolarHBondContact CD-O 3.49Å; R1358-C1455 WeakPolarHBondContact CG-O 3.43Å; R1358-I1457 HydrophobicContact CG-CG1 4.1Å; R1358-I1457 VanDerWaalsContact O-CD1 3.3Å; R1358-I1457 WeakPolarHBondContact O-CD1 3.41Å |
| 1359 | N | 81.7 | Confident | 83.8 | Confident | 103 Ų | 103 | 48.8 Ų | 48.8 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -68.7 | -25 | -173.4 | -65.9 | -24.7 | 0 | 0 | 0 | 113.7 | E1356 I1357 I1457 | E1356-N1359 VanDerWaalsContact O-CB 3.3Å; E1356-N1359 WeakPolarHBondContact O-CB 3.21Å; E1356-N1359 PolarHBondContact O-N 3.23Å; I1357-N1359 PolarHBondContact O-N 2.97Å; I1357-N1359 VanDerWaalsContact O-N 3.16Å; N1359-I1457 VanDerWaalsContact CA-CD1 3.45Å |
| 1360 | Y | 83.4 | Confident | 84.3 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 8% | 0.078 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.9 | 12.7 | -172.6 | 57.4 | -96.4 | 0 | 0 | 0 | 113.3 | P1285 R1353 E1356 I1357 R1358 N1362 K1363 I1364 | P1285-Y1360 HydrophobicContact CB-CD2 3.26Å; P1285-Y1360 HydrophobicContact CB-CE2 3.61Å; P1285-Y1360 HydrophobicContact CB-CG 3.75Å; P1285-Y1360 HydrophobicContact CG-CD2 3.93Å; P1285-Y1360 HydrophobicContact CG-CG 3.92Å; R1353-Y1360 PolarHBondContact O-OH 3.17Å; E1356-Y1360 HydrophobicContact CB-CE1 4.02Å; E1356-Y1360 WeakPolarHBondContact O-CD1 3.38Å; E1356-Y1360 WeakPolarHBondContact O-CE1 3.46Å; I1357-Y1360 HydrophobicContact CG1-CE2 4.04Å; I1357-Y1360 PolarHBondContact O-N 3.27Å; R1358-Y1360 VanDerWaalsContact C-N 3.28Å; R1358-Y1360 PolarHBondContact O-N 3.04Å; Y1360-N1362 PolarHBondContact O-N 2.71Å; Y1360-K1363 WeakPolarHBondContact O-CA 3.49Å; Y1360-K1363 WeakPolarHBondContact O-CB 3.49Å; Y1360-K1363 PolarHBondContact O-N 2.68Å; Y1360-I1364 HydrophobicContact CD2-CD1 3.97Å; Y1360-I1364 HydrophobicContact CD2-CG1 3.9Å; Y1360-I1364 HydrophobicContact CE2-CD1 3.91Å; Y1360-I1364 HydrophobicContact CE2-CG1 4.21Å |
| 1361 | I | 85.8 | Confident | 84.2 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -53.2 | -34.2 | -177 | -164 | 165.7 | 0 | 0 | 0 | 113.5 | I1357 K1363 I1364 W1366 I1414 C1417 I1418 | I1357-I1361 WeakPolarHBondContact O-CA 3.23Å; I1357-I1361 WeakPolarHBondContact O-CB 3.47Å; I1357-I1361 PolarHBondContact O-N 3.07Å; I1361-K1363 PolarHBondContact O-N 2.97Å; I1361-I1364 PolarHBondContact O-N 3.3Å; I1361-W1366 HydrophobicContact CG1-CH2 4.3Å; I1361-W1366 HydrophobicContact CG1-CZ2 3.93Å; I1361-I1414 HydrophobicContact CD1-CB 4.4Å; I1361-I1414 HydrophobicContact CD1-CG1 4.41Å; I1361-I1414 HydrophobicContact CD1-CG2 4.19Å; I1361-C1417 HydrophobicContact CD1-CB 3.56Å; I1361-I1418 HydrophobicContact CD1-CD1 4.49Å; I1361-I1418 HydrophobicContact CD1-CG1 4.15Å; I1361-I1418 HydrophobicContact CD1-CG2 3.93Å; I1361-I1418 HydrophobicContact CG1-CG2 4.37Å |
| 1362 | N | 82.5 | Confident | 84.3 | Confident | 145 Ų | 145 | 45.5 Ų | 45.5 | 78% | 0.775 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -76 | -9.8 | 179.3 | -64.8 | -32.6 | 0 | 0 | 0 | 113.7 | Y1360 | Y1360-N1362 PolarHBondContact O-N 2.71Š|
| 1363 | K | 83.1 | Confident | 84.7 | Confident | 148 Ų | 148 | 43.6 Ų | 43.6 | 64% | 0.643 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -101.8 | -3.5 | 178.7 | -60.3 | -178.5 | 178.8 | 178.4 | 0 | 112.6 | S1286 Y1360 I1361 | S1286-K1363 PolarHBondContact OG-O 2.98Å; Y1360-K1363 WeakPolarHBondContact O-CA 3.49Å; Y1360-K1363 WeakPolarHBondContact O-CB 3.49Å; Y1360-K1363 PolarHBondContact O-N 2.68Å; I1361-K1363 PolarHBondContact O-N 2.97Å |
| 1364 | I | 86.2 | Confident | 84.9 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | trans | -76.8 | 124.6 | -176.6 | -61.1 | 178.9 | 0 | 0 | 0 | 110 | S1286 I1357 Y1360 I1361 W1366 I1369 | S1286-I1364 WeakPolarHBondContact OG-CA 3.27Å; I1357-I1364 HydrophobicContact CD1-CD1 3.82Å; I1357-I1364 HydrophobicContact CG1-CD1 3.63Å; Y1360-I1364 HydrophobicContact CD2-CD1 3.97Å; Y1360-I1364 HydrophobicContact CD2-CG1 3.9Å; Y1360-I1364 HydrophobicContact CE2-CD1 3.91Å; Y1360-I1364 HydrophobicContact CE2-CG1 4.21Å; I1361-I1364 PolarHBondContact O-N 3.3Å; I1364-W1366 HydrophobicContact CB-CH2 4.35Å; I1364-W1366 HydrophobicContact CB-CZ2 4.14Å; I1364-W1366 HydrophobicContact CD1-CH2 3.99Å; I1364-W1366 HydrophobicContact CD1-CZ2 4.36Å; I1364-W1366 HydrophobicContact CG2-CD2 4Å; I1364-W1366 HydrophobicContact CG2-CE3 3.86Å; I1364-W1366 HydrophobicContact CG2-CH2 4.14Å; I1364-W1366 HydrophobicContact CG2-CZ2 4.27Å; I1364-W1366 HydrophobicContact CG2-CZ3 3.93Å; I1364-W1366 PolarHBondContact O-N 2.85Å; I1364-I1369 HydrophobicContact CG2-CB 4.47Å; I1364-I1369 HydrophobicContact CG2-CG1 3.89Å | ||
| 1365 | D | 85.9 | Confident | 85 | Confident | 90 Ų | 90 | 45.1 Ų | 45.1 | 48% | 0.481 | 23% | 0.234 | S | C | . | . | trans | -76.6 | 98 | 164.8 | -176.3 | -4.2 | 0 | 0 | 0 | 109.9 | S1286 G1367 L1368 I1369 | S1286-D1365 PolarHBondContact OG-N 3.21Å; D1365-G1367 PolarHBondContact O-N 2.82Å; D1365-G1367 PolarHBondContact OD1-N 2.9Å; D1365-L1368 HydrophobicContact CB-CB 4.21Å; D1365-L1368 PolarHBondContact O-N 3.04Å; D1365-I1369 PolarHBondContact O-N 3.22Å | ||
| 1366 | W | 87.3 | Confident | 85.3 | Confident | 29 Ų | 29 | 42 Ų | 42 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -28.1 | 179 | -61.5 | 112.7 | 0 | 0 | 0 | 113 | I1361 I1364 L1368 I1369 L1370 I1414 I1418 F1422 E1425 | I1361-W1366 HydrophobicContact CG1-CH2 4.3Å; I1361-W1366 HydrophobicContact CG1-CZ2 3.93Å; I1364-W1366 HydrophobicContact CB-CH2 4.35Å; I1364-W1366 HydrophobicContact CB-CZ2 4.14Å; I1364-W1366 HydrophobicContact CD1-CH2 3.99Å; I1364-W1366 HydrophobicContact CD1-CZ2 4.36Å; I1364-W1366 HydrophobicContact CG2-CD2 4Å; I1364-W1366 HydrophobicContact CG2-CE3 3.86Å; I1364-W1366 HydrophobicContact CG2-CH2 4.14Å; I1364-W1366 HydrophobicContact CG2-CZ2 4.27Å; I1364-W1366 HydrophobicContact CG2-CZ3 3.93Å; I1364-W1366 PolarHBondContact O-N 2.85Å; W1366-L1368 VanDerWaalsContact C-N 3.28Å; W1366-L1368 PolarHBondContact O-N 3.46Å; W1366-I1369 PolarHBondContact O-N 3.3Å; W1366-L1370 HydrophobicContact CB-CD1 3.87Å; W1366-L1370 HydrophobicContact CB-CG 4.14Å; W1366-L1370 HydrophobicContact CE3-CD2 4.29Å; W1366-L1370 HydrophobicContact CE3-CG 4.47Å; W1366-L1370 WeakPolarHBondContact O-CB 3.42Å; W1366-L1370 WeakPolarHBondContact O-CD1 3.48Å; W1366-L1370 WeakPolarHBondContact O-CG 3.45Å; W1366-L1370 PolarHBondContact O-N 3.05Å; W1366-I1414 HydrophobicContact CH2-CD1 3.8Å; W1366-I1414 HydrophobicContact CH2-CG1 3.98Å; W1366-I1414 HydrophobicContact CH2-CG2 3.66Å; W1366-I1414 HydrophobicContact CZ2-CG2 4.23Å; W1366-I1414 HydrophobicContact CZ3-CD1 3.86Å; W1366-I1414 HydrophobicContact CZ3-CG2 4.33Å; W1366-I1418 HydrophobicContact CZ2-CD1 4.17Å; W1366-F1422 HydrophobicContact CD2-CE2 4.41Å; W1366-F1422 AromaticContact CE3-CE2 3.92Å; W1366-F1422 HydrophobicContact CE3-CE2 3.92Å; W1366-F1422 HydrophobicContact CH2-CE2 4.18Å; W1366-F1422 AromaticContact CZ3-CE2 3.8Å; W1366-F1422 HydrophobicContact CZ3-CE2 3.8Å; W1366-E1425 HydrophobicContact CB-CB 4.48Å; W1366-E1425 HydrophobicContact CG-CB 4.35Å; W1366-E1425 HydrophobicContact CG-CG 4.43Å |
| 1367 | G | 83.1 | Confident | 85.4 | Confident | 18 Ų | 18 | 38.8 Ų | 38.8 | 19% | 0.186 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.8 | -33.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1365 P1371 Y1429 | D1365-G1367 PolarHBondContact O-N 2.82Å; D1365-G1367 PolarHBondContact OD1-N 2.9Å; G1367-P1371 VanDerWaalsContact O-CD 3.26Å; G1367-P1371 WeakPolarHBondContact O-CD 3.48Å; G1367-Y1429 WeakPolarHBondContact CA-OH 3.35Å |
| 1368 | L | 84.9 | Confident | 84.7 | Confident | 55 Ų | 55 | 41.6 Ų | 41.6 | 29% | 0.288 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -75.7 | -37.6 | 175.2 | -177 | 63.3 | 0 | 0 | 0 | 112.5 | D1365 W1366 L1372 | D1365-L1368 HydrophobicContact CB-CB 4.21Å; D1365-L1368 PolarHBondContact O-N 3.04Å; W1366-L1368 VanDerWaalsContact C-N 3.28Å; W1366-L1368 PolarHBondContact O-N 3.46Å; L1368-L1372 WeakPolarHBondContact O-CD1 3.27Å; L1368-L1372 WeakPolarHBondContact O-CG 3.29Å |
| 1369 | I | 89.9 | Confident | 83.7 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -88.6 | -43.9 | -169.8 | -63.2 | -54.6 | 0 | 0 | 0 | 113.4 | S1286 L1289 L1293 I1364 D1365 W1366 L1372 L1373 | S1286-I1369 WeakPolarHBondContact O-CD1 3.38Å; L1289-I1369 HydrophobicContact CB-CD1 3.92Å; L1289-I1369 HydrophobicContact CD2-CD1 3.97Å; L1289-I1369 HydrophobicContact CD2-CG1 4.17Å; L1289-I1369 HydrophobicContact CD2-CG2 3.85Å; L1289-I1369 HydrophobicContact CG-CD1 4.22Å; L1293-I1369 HydrophobicContact CD1-CG2 4.37Å; I1364-I1369 HydrophobicContact CG2-CB 4.47Å; I1364-I1369 HydrophobicContact CG2-CG1 3.89Å; D1365-I1369 PolarHBondContact O-N 3.22Å; W1366-I1369 PolarHBondContact O-N 3.3Å; I1369-L1372 WeakPolarHBondContact O-CB 3.29Å; I1369-L1372 PolarHBondContact O-N 3.36Å; I1369-L1373 HydrophobicContact CG2-CD1 4.09Å; I1369-L1373 HydrophobicContact CG2-CG 4.22Å; I1369-L1373 PolarHBondContact O-N 3.5Å |
| 1370 | L | 90.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.7 | -45.4 | -171.6 | -65.9 | 169.7 | 0 | 0 | 0 | 113.1 | W1366 L1372 L1373 F1422 V1426 Y1429 L1436 | W1366-L1370 HydrophobicContact CB-CD1 3.87Å; W1366-L1370 HydrophobicContact CB-CG 4.14Å; W1366-L1370 HydrophobicContact CE3-CD2 4.29Å; W1366-L1370 HydrophobicContact CE3-CG 4.47Å; W1366-L1370 WeakPolarHBondContact O-CB 3.42Å; W1366-L1370 WeakPolarHBondContact O-CD1 3.48Å; W1366-L1370 WeakPolarHBondContact O-CG 3.45Å; W1366-L1370 PolarHBondContact O-N 3.05Å; L1370-L1372 PolarHBondContact O-N 3.02Å; L1370-L1373 PolarHBondContact O-N 3.18Å; L1370-L1373 VanDerWaalsContact O-N 3.14Å; L1370-F1422 HydrophobicContact CD2-CE2 4Å; L1370-F1422 HydrophobicContact CD2-CZ 4.15Å; L1370-V1426 HydrophobicContact CD1-CG2 4.35Å; L1370-V1426 HydrophobicContact CD2-CG2 3.81Å; L1370-Y1429 HydrophobicContact CD1-CD2 3.69Å; L1370-Y1429 HydrophobicContact CD1-CE2 4.26Å; L1370-Y1429 HydrophobicContact CD1-CG 4.5Å; L1370-L1436 HydrophobicContact CB-CD2 4.26Å; L1370-L1436 HydrophobicContact CD2-CD2 3.48Å; L1370-L1436 VanDerWaalsContact CD2-CD2 3.48Å; L1370-L1436 HydrophobicContact CG-CD2 4.46Å |
| 1371 | P | 84.7 | Confident | 81 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 13% | 0.13 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -24.4 | 178.9 | -21.7 | 35 | 0 | 0 | 0 | 113.6 | G1367 L1373 P1375 | G1367-P1371 VanDerWaalsContact O-CD 3.26Å; G1367-P1371 WeakPolarHBondContact O-CD 3.48Å; P1371-L1373 VanDerWaalsContact C-N 3.35Å; P1371-P1375 WeakPolarHBondContact O-CD 3.47Å |
| 1372 | L | 86.8 | Confident | 79.4 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -80 | -17.6 | 179.6 | -57.5 | 175.8 | 0 | 0 | 0 | 112.7 | S1290 L1293 R1294 I1305 L1368 I1369 L1370 F1376 | S1290-L1372 VanDerWaalsContact OG-CD1 3.27Å; S1290-L1372 WeakPolarHBondContact OG-CD1 3.28Å; L1293-L1372 HydrophobicContact CB-CB 4.26Å; L1293-L1372 HydrophobicContact CD1-CB 3.92Å; R1294-L1372 HydrophobicContact CG-CD2 4.28Å; I1305-L1372 HydrophobicContact CB-CD2 4.16Å; I1305-L1372 HydrophobicContact CD1-CB 4.13Å; I1305-L1372 HydrophobicContact CD1-CD2 3.6Å; I1305-L1372 HydrophobicContact CD1-CG 4.46Å; I1305-L1372 HydrophobicContact CG1-CD2 4.44Å; I1305-L1372 HydrophobicContact CG2-CD2 3.99Å; L1368-L1372 WeakPolarHBondContact O-CD1 3.27Å; L1368-L1372 WeakPolarHBondContact O-CG 3.29Å; I1369-L1372 WeakPolarHBondContact O-CB 3.29Å; I1369-L1372 PolarHBondContact O-N 3.36Å; L1370-L1372 PolarHBondContact O-N 3.02Å; L1372-F1376 WeakPolarHBondContact O-CD2 3.26Å; L1372-F1376 VanDerWaalsContact O-CE2 3.29Å; L1372-F1376 WeakPolarHBondContact O-CE2 3.33Å |
| 1373 | L | 89 | Confident | 77.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -83.2 | -34.3 | 178.3 | -63.2 | 178.4 | 0 | 0 | 0 | 112.2 | L1293 I1369 L1370 P1371 P1375 F1376 I1407 L1411 | L1293-L1373 HydrophobicContact CD1-CD2 3.7Å; L1293-L1373 HydrophobicContact CD1-CG 4.42Å; L1293-L1373 HydrophobicContact CD2-CD2 3.79Å; L1293-L1373 HydrophobicContact CG-CD2 4.42Å; I1369-L1373 HydrophobicContact CG2-CD1 4.09Å; I1369-L1373 HydrophobicContact CG2-CG 4.22Å; I1369-L1373 PolarHBondContact O-N 3.5Å; L1370-L1373 PolarHBondContact O-N 3.18Å; L1370-L1373 VanDerWaalsContact O-N 3.14Å; P1371-L1373 VanDerWaalsContact C-N 3.35Å; L1373-P1375 VanDerWaalsContact C-CD 3.45Å; L1373-F1376 PolarHBondContact O-N 3.33Å; L1373-I1407 HydrophobicContact CD2-CD1 4.05Å; L1373-I1407 HydrophobicContact CD2-CG1 4.07Å; L1373-I1407 HydrophobicContact CD2-CG2 3.97Å; L1373-L1411 HydrophobicContact CD1-CD2 4.11Å |
| 1374 | E | 86.5 | Confident | 75.7 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 12% | 0.121 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -53 | -44.7 | -175 | -174.8 | 75 | 176.9 | 0 | 0 | 114.1 | F1376 L1377 Q1432 C1433 S1434 S1435 L1436 | E1374-F1376 PolarHBondContact O-N 3.34Å; E1374-F1376 VanDerWaalsContact O-N 3.08Å; E1374-L1377 PolarHBondContact O-N 3.12Å; E1374-L1377 VanDerWaalsContact O-N 3.08Å; E1374-Q1432 WeakPolarHBondContact CG-O 3.46Å; E1374-C1433 VanDerWaalsContact OE2-C 3.31Å; E1374-C1433 WeakPolarHBondContact OE2-CA 3.46Å; E1374-S1434 PolarHBondContact OE1-N 3.25Å; E1374-S1434 VanDerWaalsContact OE1-N 3.12Å; E1374-S1434 PolarHBondContact OE1-OG 3.41Å; E1374-S1434 VanDerWaalsContact OE1-OG 3.06Å; E1374-S1435 VanDerWaalsContact OE1-CB 3.25Å; E1374-S1435 WeakPolarHBondContact OE1-CB 3.23Å; E1374-S1435 PolarHBondContact OE1-N 3.01Å; E1374-S1435 PolarHBondContact OE1-OG 3.11Å; E1374-S1435 PolarHBondContact OE2-N 2.45Å; E1374-L1436 WeakPolarHBondContact OE2-CB 3.14Å; E1374-L1436 PolarHBondContact OE2-N 2.86Å |
| 1375 | P | 84.5 | Confident | 73.8 | Confident | 36 Ų | 36 | 46.7 Ų | 46.7 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -61.4 | -22.3 | -177 | -24.1 | 35 | 0 | 0 | 0 | 114.8 | I1305 P1371 L1373 | I1305-P1375 HydrophobicContact CG2-CG 4.33Å; P1371-P1375 WeakPolarHBondContact O-CD 3.47Å; L1373-P1375 VanDerWaalsContact C-CD 3.45Å |
| 1376 | F | 86 | Confident | 71.5 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -89 | -12.5 | -179 | -60.9 | -78 | 0 | 0 | 0 | 113.4 | L1293 V1296 H1297 F1301 I1305 L1372 L1373 E1374 L1400 T1403 I1407 | L1293-F1376 HydrophobicContact CD2-CE2 4.18Å; L1293-F1376 WeakPolarHBondContact O-CZ 2.94Å; V1296-F1376 HydrophobicContact CG1-CE1 4.09Å; V1296-F1376 HydrophobicContact CG1-CZ 4.38Å; H1297-F1376 HydrophobicContact CB-CE1 4.35Å; H1297-F1376 HydrophobicContact CB-CE2 4.4Å; H1297-F1376 HydrophobicContact CB-CZ 3.65Å; F1301-F1376 HydrophobicContact CE2-CD1 4.34Å; F1301-F1376 HydrophobicContact CE2-CE1 4.21Å; I1305-F1376 HydrophobicContact CD1-CE2 4.49Å; L1372-F1376 WeakPolarHBondContact O-CD2 3.26Å; L1372-F1376 VanDerWaalsContact O-CE2 3.29Å; L1372-F1376 WeakPolarHBondContact O-CE2 3.33Å; L1373-F1376 PolarHBondContact O-N 3.33Å; E1374-F1376 PolarHBondContact O-N 3.34Å; E1374-F1376 VanDerWaalsContact O-N 3.08Å; F1376-L1400 HydrophobicContact CD1-CD1 3.76Å; F1376-T1403 HydrophobicContact CD1-CG2 3.62Å; F1376-T1403 HydrophobicContact CE1-CG2 3.74Å; F1376-T1403 HydrophobicContact CG-CG2 4.16Å; F1376-T1403 HydrophobicContact CZ-CG2 4.33Å; F1376-I1407 HydrophobicContact CB-CD1 3.5Å; F1376-I1407 HydrophobicContact CD1-CD1 4.41Å; F1376-I1407 HydrophobicContact CD2-CD1 3.55Å; F1376-I1407 HydrophobicContact CE2-CD1 4.33Å; F1376-I1407 HydrophobicContact CG-CD1 3.57Å |
| 1377 | L | 83.4 | Confident | 69.3 | Low | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -92.3 | 144.4 | -174.4 | -61.6 | 173.5 | 0 | 0 | 0 | 110.6 | E1374 I1407 L1411 L1436 I1439 | E1374-L1377 PolarHBondContact O-N 3.12Å; E1374-L1377 VanDerWaalsContact O-N 3.08Å; L1377-I1407 HydrophobicContact CD2-CG2 3.98Å; L1377-L1411 HydrophobicContact CD2-CD1 4.42Å; L1377-L1436 HydrophobicContact CD1-CB 3.76Å; L1377-L1436 HydrophobicContact CD1-CD1 3.81Å; L1377-L1436 HydrophobicContact CD1-CG 4.37Å; L1377-I1439 HydrophobicContact CB-CD1 4.29Å; L1377-I1439 HydrophobicContact CD1-CD1 4.04Å; L1377-I1439 HydrophobicContact CD2-CD1 3.67Å; L1377-I1439 HydrophobicContact CG-CD1 4.2Å |
| 1378 | P | 70.5 | Confident | 67.1 | Low | 58 Ų | 58 | 59.8 Ų | 59.8 | 38% | 0.377 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 138.5 | 174 | 27.3 | -32.1 | 0 | 0 | 0 | 110.3 | ||
| 1379 | D | 61.7 | Low | 64.6 | Low | 52 Ų | 52 | 64.4 Ų | 64.4 | 28% | 0.278 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 153.8 | 174.6 | -67.6 | -20.4 | 0 | 0 | 0 | 110 | S1381 G1382 K1385 | D1379-S1381 PolarHBondContact O-N 3.1Å; D1379-G1382 PolarHBondContact O-N 2.99Å; D1379-K1385 WeakPolarHBondContact OD1-CE 3.29Å; D1379-K1385 IonicContact OD1-NZ 3.34Å; D1379-K1385 PolarHBondContact OD1-NZ 3.46Å; D1379-K1385 VanDerWaalsContact OD2-CE 3.22Å; D1379-K1385 WeakPolarHBondContact OD2-CE 3.29Å |
| 1380 | S | 54.3 | Low | 62.1 | Low | 90 Ų | 90 | 72.6 Ų | 72.6 | 63% | 0.629 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -11.7 | -176.3 | 65.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1381 | S | 54.5 | Low | 60.1 | Low | 83 Ų | 83 | 77.8 Ų | 77.8 | 58% | 0.58 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -7.2 | 174.3 | 63.6 | 0 | 0 | 0 | 0 | 114.1 | D1379 V1383 | D1379-S1381 PolarHBondContact O-N 3.1Å; S1381-V1383 PolarHBondContact O-N 3.35Å; S1381-V1383 PolarHBondContact OG-N 3.42Å |
| 1382 | G | 51.4 | Low | 58.5 | Low | 62 Ų | 62 | 85.4 Ų | 85.4 | 64% | 0.639 | 48% | 0.475 | S | S | * | . | trans | 72.1 | 3.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1379 | D1379-G1382 PolarHBondContact O-N 2.99Š| ||
| 1383 | V | 44 | Very low | 57.1 | Low | 94 Ų | 94 | 87 Ų | 87 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -87.8 | 116.4 | 179.5 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | S1381 K1385 | S1381-V1383 PolarHBondContact O-N 3.35Å; S1381-V1383 PolarHBondContact OG-N 3.42Å; V1383-K1385 PolarHBondContact O-N 3.3Å |
| 1384 | T | 44 | Very low | 56 | Low | 106 Ų | 106 | 91.5 Ų | 91.5 | 65% | 0.65 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 127.4 | 170.8 | 39.7 | 0 | 0 | 0 | 0 | 109.9 | S1386 | T1384-S1386 PolarHBondContact O-N 2.97Å; T1384-S1386 VanDerWaalsContact O-N 3.08Å |
| 1385 | K | 46.9 | Very low | 55.2 | Low | 134 Ų | 134 | 93.5 Ų | 93.5 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 117.7 | 177.8 | -73.5 | 175.5 | -179.1 | 159.2 | 0 | 109.5 | D1379 V1383 I1387 | D1379-K1385 WeakPolarHBondContact OD1-CE 3.29Å; D1379-K1385 IonicContact OD1-NZ 3.34Å; D1379-K1385 PolarHBondContact OD1-NZ 3.46Å; D1379-K1385 VanDerWaalsContact OD2-CE 3.22Å; D1379-K1385 WeakPolarHBondContact OD2-CE 3.29Å; V1383-K1385 PolarHBondContact O-N 3.3Å; K1385-I1387 PolarHBondContact O-N 2.78Å; K1385-I1387 VanDerWaalsContact O-N 3.1Å |
| 1386 | S | 38.4 | Very low | 54.8 | Low | 123 Ų | 123 | 95 Ų | 95 | 86% | 0.86 | 53% | 0.526 | S | S | * | . | trans | -74.3 | 99.1 | -175.3 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | T1384 | T1384-S1386 PolarHBondContact O-N 2.97Å; T1384-S1386 VanDerWaalsContact O-N 3.08Å | ||
| 1387 | I | 41.1 | Very low | 54.3 | Low | 89 Ų | 89 | 98 Ų | 98 | 46% | 0.456 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 125.9 | 173.9 | -51.6 | 177.7 | 0 | 0 | 0 | 108.1 | F1301 K1385 Q1393 | F1301-I1387 HydrophobicContact CD1-CD1 4.45Å; F1301-I1387 HydrophobicContact CE1-CD1 4.43Å; K1385-I1387 PolarHBondContact O-N 2.78Å; K1385-I1387 VanDerWaalsContact O-N 3.1Å; I1387-Q1393 VanDerWaalsContact CG2-NE2 3.3Å |
| 1388 | K | 36.9 | Very low | 54 | Low | 200 Ų | 200 | 103.8 Ų | 103.8 | 87% | 0.87 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 134.9 | -177.3 | -76 | -177.4 | 178.4 | 176.6 | 0 | 111.9 | Q1393 | K1388-Q1393 PolarHBondContact O-NE2 3.19Š|
| 1389 | I | 31.9 | Very low | 54.5 | Low | 152 Ų | 152 | 101.9 Ų | 101.9 | 78% | 0.779 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -87 | 116.2 | -159.7 | -56.5 | 166.8 | 0 | 0 | 0 | 113.1 | Q1393 | I1389-Q1393 VanDerWaalsContact CA-OE1 3.27Š|
| 1390 | K | 37.6 | Very low | 55.5 | Low | 172 Ų | 172 | 100.9 Ų | 100.9 | 75% | 0.748 | 55% | 0.548 | S | S | * | . | trans | -117.6 | 153.4 | 153.8 | -77.1 | -173 | 178.2 | -179.6 | 0 | 108.5 | Y1392 Q1393 | K1390-Y1392 PolarHBondContact O-N 2.92Å; K1390-Q1393 PolarHBondContact O-N 3.46Å; K1390-Q1393 VanDerWaalsContact O-N 3.17Å | ||
| 1391 | S | 47.4 | Very low | 56.9 | Low | 109 Ų | 109 | 102.1 Ų | 102.1 | 76% | 0.762 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -21.1 | -166 | 54.8 | 0 | 0 | 0 | 0 | 117.3 | Q1393 | S1391-Q1393 VanDerWaalsContact C-N 3.33Å; S1391-Q1393 PolarHBondContact O-N 3.42Å |
| 1392 | Y | 51.1 | Low | 58.4 | Low | 180 Ų | 180 | 102.1 Ų | 102.1 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -4.2 | 179.9 | -70.9 | -84 | 0 | 0 | 0 | 115.3 | K1390 | K1390-Y1392 PolarHBondContact O-N 2.92Š|
| 1393 | Q | 57.3 | Low | 60 | Low | 45 Ų | 45 | 99.2 Ų | 99.2 | 21% | 0.21 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -76.6 | -21.2 | -173.5 | -82.5 | 175.5 | -3.4 | 0 | 0 | 116.1 | I1387 K1388 I1389 K1390 S1391 I1395 R1396 M1397 | I1387-Q1393 VanDerWaalsContact CG2-NE2 3.3Å; K1388-Q1393 PolarHBondContact O-NE2 3.19Å; I1389-Q1393 VanDerWaalsContact CA-OE1 3.27Å; K1390-Q1393 PolarHBondContact O-N 3.46Å; K1390-Q1393 VanDerWaalsContact O-N 3.17Å; S1391-Q1393 VanDerWaalsContact C-N 3.33Å; S1391-Q1393 PolarHBondContact O-N 3.42Å; Q1393-I1395 PolarHBondContact O-N 3.04Å; Q1393-R1396 PolarHBondContact O-N 3.31Å; Q1393-M1397 WeakPolarHBondContact O-CG 3.43Å; Q1393-M1397 PolarHBondContact O-N 3.28Å |
| 1394 | S | 67.1 | Low | 62.1 | Low | 95 Ų | 95 | 95.5 Ų | 95.5 | 66% | 0.664 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.9 | -46 | -173.5 | -166.5 | 0 | 0 | 0 | 0 | 113.1 | M1397 E1398 | S1394-M1397 PolarHBondContact O-N 3.43Å; S1394-E1398 PolarHBondContact O-N 3.49Å; S1394-E1398 VanDerWaalsContact O-N 3.12Å |
| 1395 | I | 69.7 | Low | 64.2 | Low | 68 Ų | 68 | 95.6 Ų | 95.6 | 35% | 0.349 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | -179.9 | -60.9 | 172.5 | 0 | 0 | 0 | 110.6 | F1339 T1340 Q1393 M1397 E1398 I1399 | F1339-I1395 HydrophobicContact CE1-CG2 4.33Å; T1340-I1395 HydrophobicContact CG2-CG2 3.99Å; Q1393-I1395 PolarHBondContact O-N 3.04Å; I1395-M1397 VanDerWaalsContact C-N 3.31Å; I1395-M1397 PolarHBondContact O-N 3.49Å; I1395-E1398 PolarHBondContact O-N 2.97Å; I1395-I1399 HydrophobicContact CG2-CD1 3.83Å; I1395-I1399 HydrophobicContact CG2-CG1 4.41Å; I1395-I1399 WeakPolarHBondContact O-CD1 3.26Å; I1395-I1399 VanDerWaalsContact O-CG1 3.3Å; I1395-I1399 WeakPolarHBondContact O-CG1 3.48Å; I1395-I1399 PolarHBondContact O-N 2.92Å |
| 1396 | R | 75 | Confident | 66.2 | Low | 68 Ų | 68 | 89.9 Ų | 89.9 | 26% | 0.257 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 176.7 | -73.2 | -175.8 | 174.8 | -162.1 | 3.7 | 111.9 | C1300 F1301 F1339 Q1393 I1399 L1400 | C1300-R1396 WeakPolarHBondContact O-CD 3.49Å; F1301-R1396 PolarHBondContact O-NH1 2.94Å; F1339-R1396 HydrophobicContact CE1-CG 4.14Å; F1339-R1396 HydrophobicContact CZ-CG 3.7Å; Q1393-R1396 PolarHBondContact O-N 3.31Å; R1396-I1399 PolarHBondContact O-N 2.98Å; R1396-L1400 VanDerWaalsContact O-CB 3.3Å; R1396-L1400 WeakPolarHBondContact O-CB 3.36Å; R1396-L1400 PolarHBondContact O-N 3.35Å |
| 1397 | M | 76 | Confident | 68.7 | Low | 71 Ų | 71 | 84 Ų | 84 | 35% | 0.35 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 176.2 | -70.6 | -57.1 | -61 | 0 | 0 | 112.2 | Q1393 S1394 I1395 L1400 Q1401 | Q1393-M1397 WeakPolarHBondContact O-CG 3.43Å; Q1393-M1397 PolarHBondContact O-N 3.28Å; S1394-M1397 PolarHBondContact O-N 3.43Å; I1395-M1397 VanDerWaalsContact C-N 3.31Å; I1395-M1397 PolarHBondContact O-N 3.49Å; M1397-L1400 HydrophobicContact CE-CD2 4.49Å; M1397-L1400 PolarHBondContact O-N 2.93Å; M1397-L1400 HydrophobicContact SD-CD2 4.32Å; M1397-Q1401 WeakPolarHBondContact O-CB 3.42Å; M1397-Q1401 VanDerWaalsContact O-CG 3.29Å; M1397-Q1401 WeakPolarHBondContact O-CG 3.36Å; M1397-Q1401 PolarHBondContact O-N 3.26Å |
| 1398 | E | 77.8 | Confident | 70.9 | Confident | 129 Ų | 129 | 83.7 Ų | 83.7 | 60% | 0.603 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.9 | -46.5 | 175.5 | -171.8 | 177.4 | -176.2 | 0 | 0 | 111.6 | S1394 I1395 L1400 Q1401 E1402 | S1394-E1398 PolarHBondContact O-N 3.49Å; S1394-E1398 VanDerWaalsContact O-N 3.12Å; I1395-E1398 PolarHBondContact O-N 2.97Å; E1398-L1400 VanDerWaalsContact C-N 3.32Å; E1398-L1400 PolarHBondContact O-N 3.22Å; E1398-Q1401 PolarHBondContact O-N 3Å; E1398-E1402 PolarHBondContact O-N 2.53Å |
| 1399 | I | 80.6 | Confident | 73.4 | Confident | 17 Ų | 17 | 77.9 Ų | 77.9 | 9% | 0.087 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 174.5 | -63.5 | 159.7 | 0 | 0 | 0 | 110.2 | V1296 F1339 A1343 I1395 R1396 Q1401 E1402 T1403 | V1296-I1399 HydrophobicContact CG1-CG2 4.44Å; F1339-I1399 HydrophobicContact CE1-CD1 3.62Å; F1339-I1399 HydrophobicContact CZ-CD1 3.97Å; A1343-I1399 HydrophobicContact CB-CD1 3.48Å; A1343-I1399 VanDerWaalsContact CB-CD1 3.48Å; A1343-I1399 HydrophobicContact CB-CG1 4.04Å; A1343-I1399 HydrophobicContact CB-CG2 4.02Å; I1395-I1399 HydrophobicContact CG2-CD1 3.83Å; I1395-I1399 HydrophobicContact CG2-CG1 4.41Å; I1395-I1399 WeakPolarHBondContact O-CD1 3.26Å; I1395-I1399 VanDerWaalsContact O-CG1 3.3Å; I1395-I1399 WeakPolarHBondContact O-CG1 3.48Å; I1395-I1399 PolarHBondContact O-N 2.92Å; R1396-I1399 PolarHBondContact O-N 2.98Å; I1399-Q1401 PolarHBondContact O-N 3.04Å; I1399-E1402 PolarHBondContact O-N 3.12Å; I1399-T1403 VanDerWaalsContact O-CB 3.3Å; I1399-T1403 WeakPolarHBondContact O-CB 3.31Å; I1399-T1403 PolarHBondContact O-N 3.49Å; I1399-T1403 PolarHBondContact O-OG1 2.91Å |
| 1400 | L | 83.2 | Confident | 76.2 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 16% | 0.162 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 178.9 | 178.9 | 60.5 | 0 | 0 | 0 | 111.8 | C1300 F1301 F1376 R1396 M1397 E1398 T1403 A1404 | C1300-L1400 HydrophobicContact CB-CB 4.42Å; C1300-L1400 HydrophobicContact CB-CD1 4.33Å; F1301-L1400 HydrophobicContact CE1-CD2 4.43Å; F1301-L1400 HydrophobicContact CE2-CD1 4.11Å; F1301-L1400 HydrophobicContact CZ-CD1 3.79Å; F1301-L1400 HydrophobicContact CZ-CD2 4.19Å; F1376-L1400 HydrophobicContact CD1-CD1 3.76Å; R1396-L1400 VanDerWaalsContact O-CB 3.3Å; R1396-L1400 WeakPolarHBondContact O-CB 3.36Å; R1396-L1400 PolarHBondContact O-N 3.35Å; M1397-L1400 HydrophobicContact CE-CD2 4.49Å; M1397-L1400 PolarHBondContact O-N 2.93Å; M1397-L1400 HydrophobicContact SD-CD2 4.32Å; E1398-L1400 VanDerWaalsContact C-N 3.32Å; E1398-L1400 PolarHBondContact O-N 3.22Å; L1400-T1403 PolarHBondContact O-N 3.06Å; L1400-A1404 WeakPolarHBondContact O-CB 3.31Å; L1400-A1404 PolarHBondContact O-N 3.48Å |
| 1401 | Q | 83.5 | Confident | 78.8 | Confident | 117 Ų | 117 | 62.5 Ų | 62.5 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 177.4 | -76.5 | 176.9 | -0.8 | 0 | 0 | 112 | M1397 E1398 I1399 T1403 A1404 K1405 | M1397-Q1401 WeakPolarHBondContact O-CB 3.42Å; M1397-Q1401 VanDerWaalsContact O-CG 3.29Å; M1397-Q1401 WeakPolarHBondContact O-CG 3.36Å; M1397-Q1401 PolarHBondContact O-N 3.26Å; E1398-Q1401 PolarHBondContact O-N 3Å; I1399-Q1401 PolarHBondContact O-N 3.04Å; Q1401-T1403 VanDerWaalsContact C-N 3.34Å; Q1401-A1404 PolarHBondContact O-N 2.76Å; Q1401-K1405 WeakPolarHBondContact O-CG 3.34Å; Q1401-K1405 PolarHBondContact O-N 3.42Å; Q1401-K1405 VanDerWaalsContact O-N 3.12Å |
| 1402 | E | 84.8 | Confident | 80.8 | Confident | 83 Ų | 83 | 61.2 Ų | 61.2 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.4 | -36.3 | 179.7 | -160.4 | 61.6 | -159.3 | 0 | 0 | 111.6 | L1347 E1398 I1399 K1405 V1406 | L1347-E1402 HydrophobicContact CD2-CB 3.79Å; L1347-E1402 HydrophobicContact CD2-CG 3.71Å; E1398-E1402 PolarHBondContact O-N 2.53Å; I1399-E1402 PolarHBondContact O-N 3.12Å; E1402-K1405 WeakPolarHBondContact O-CB 3.39Å; E1402-K1405 PolarHBondContact O-N 3.33Å; E1402-K1405 WeakPolarHBondContact OE2-CD 3.3Å; E1402-K1405 IonicContact OE2-NZ 3.22Å; E1402-K1405 PolarHBondContact OE2-NZ 3.13Å; E1402-V1406 WeakPolarHBondContact O-CG2 3.28Å; E1402-V1406 PolarHBondContact O-N 3.05Å |
| 1403 | T | 86.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 172.3 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | V1296 L1347 L1350 F1376 I1399 L1400 Q1401 K1405 V1406 I1407 | V1296-T1403 HydrophobicContact CG1-CG2 3.52Å; V1296-T1403 WeakPolarHBondContact CG1-OG1 3.28Å; L1347-T1403 HydrophobicContact CD1-CG2 4.48Å; L1350-T1403 HydrophobicContact CD2-CG2 4.39Å; F1376-T1403 HydrophobicContact CD1-CG2 3.62Å; F1376-T1403 HydrophobicContact CE1-CG2 3.74Å; F1376-T1403 HydrophobicContact CG-CG2 4.16Å; F1376-T1403 HydrophobicContact CZ-CG2 4.33Å; I1399-T1403 VanDerWaalsContact O-CB 3.3Å; I1399-T1403 WeakPolarHBondContact O-CB 3.31Å; I1399-T1403 PolarHBondContact O-N 3.49Å; I1399-T1403 PolarHBondContact O-OG1 2.91Å; L1400-T1403 PolarHBondContact O-N 3.06Å; Q1401-T1403 VanDerWaalsContact C-N 3.34Å; T1403-K1405 VanDerWaalsContact C-N 3.28Å; T1403-K1405 PolarHBondContact O-N 2.99Å; T1403-V1406 PolarHBondContact O-N 2.99Å; T1403-I1407 HydrophobicContact CG2-CD1 3.87Å; T1403-I1407 HydrophobicContact CG2-CG1 4.44Å; T1403-I1407 WeakPolarHBondContact O-CG1 3.46Å; T1403-I1407 PolarHBondContact O-N 3.28Å |
| 1404 | A | 87.1 | Confident | 84.1 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1400 Q1401 I1407 Q1408 | L1400-A1404 WeakPolarHBondContact O-CB 3.31Å; L1400-A1404 PolarHBondContact O-N 3.48Å; Q1401-A1404 PolarHBondContact O-N 2.76Å; A1404-I1407 PolarHBondContact O-N 3.3Å; A1404-Q1408 WeakPolarHBondContact O-CB 3.38Å; A1404-Q1408 VanDerWaalsContact O-CG 3.27Å; A1404-Q1408 WeakPolarHBondContact O-CG 3.24Å; A1404-Q1408 PolarHBondContact O-N 2.91Å |
| 1405 | K | 87.3 | Confident | 85.2 | Confident | 109 Ų | 109 | 48.1 Ų | 48.1 | 47% | 0.474 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.6 | -47.2 | 174.5 | -67.6 | 175.4 | -160.8 | 160.4 | 0 | 112.1 | Q1401 E1402 T1403 I1407 Q1408 C1409 | Q1401-K1405 WeakPolarHBondContact O-CG 3.34Å; Q1401-K1405 PolarHBondContact O-N 3.42Å; Q1401-K1405 VanDerWaalsContact O-N 3.12Å; E1402-K1405 WeakPolarHBondContact O-CB 3.39Å; E1402-K1405 PolarHBondContact O-N 3.33Å; E1402-K1405 WeakPolarHBondContact OE2-CD 3.3Å; E1402-K1405 IonicContact OE2-NZ 3.22Å; E1402-K1405 PolarHBondContact OE2-NZ 3.13Å; T1403-K1405 VanDerWaalsContact C-N 3.28Å; T1403-K1405 PolarHBondContact O-N 2.99Å; K1405-I1407 VanDerWaalsContact C-N 3.3Å; K1405-I1407 PolarHBondContact O-N 3.36Å; K1405-Q1408 PolarHBondContact O-N 3.49Å; K1405-C1409 PolarHBondContact O-N 2.9Å; K1405-C1409 PolarHBondContact O-SG 3.26Å; K1405-C1409 VanDerWaalsContact O-SG 3.37Å |
| 1406 | V | 89.3 | Confident | 86.1 | Confident | 14 Ų | 14 | 45 Ų | 45 | 9% | 0.085 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 177.7 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | L1347 L1350 E1402 T1403 C1409 M1410 | L1347-V1406 HydrophobicContact CD1-CB 4.42Å; L1347-V1406 HydrophobicContact CD1-CG2 4.01Å; L1350-V1406 HydrophobicContact CD2-CG1 4.3Å; L1350-V1406 HydrophobicContact CG-CG1 4.03Å; E1402-V1406 WeakPolarHBondContact O-CG2 3.28Å; E1402-V1406 PolarHBondContact O-N 3.05Å; T1403-V1406 PolarHBondContact O-N 2.99Å; V1406-C1409 PolarHBondContact O-N 3.08Å; V1406-M1410 WeakPolarHBondContact O-CB 3.45Å; V1406-M1410 PolarHBondContact O-N 3.45Å |
| 1407 | I | 90.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.5 | -69.8 | 171.6 | 0 | 0 | 0 | 111.2 | L1293 L1373 F1376 L1377 T1403 A1404 K1405 C1409 M1410 L1411 | L1293-I1407 HydrophobicContact CD2-CD1 4.03Å; L1293-I1407 HydrophobicContact CD2-CG1 4.38Å; L1373-I1407 HydrophobicContact CD2-CD1 4.05Å; L1373-I1407 HydrophobicContact CD2-CG1 4.07Å; L1373-I1407 HydrophobicContact CD2-CG2 3.97Å; F1376-I1407 HydrophobicContact CB-CD1 3.5Å; F1376-I1407 HydrophobicContact CD1-CD1 4.41Å; F1376-I1407 HydrophobicContact CD2-CD1 3.55Å; F1376-I1407 HydrophobicContact CE2-CD1 4.33Å; F1376-I1407 HydrophobicContact CG-CD1 3.57Å; L1377-I1407 HydrophobicContact CD2-CG2 3.98Å; T1403-I1407 HydrophobicContact CG2-CD1 3.87Å; T1403-I1407 HydrophobicContact CG2-CG1 4.44Å; T1403-I1407 WeakPolarHBondContact O-CG1 3.46Å; T1403-I1407 PolarHBondContact O-N 3.28Å; A1404-I1407 PolarHBondContact O-N 3.3Å; K1405-I1407 VanDerWaalsContact C-N 3.3Å; K1405-I1407 PolarHBondContact O-N 3.36Å; I1407-C1409 PolarHBondContact O-N 3.41Å; I1407-M1410 VanDerWaalsContact O-CB 3.31Å; I1407-M1410 WeakPolarHBondContact O-CB 3.35Å; I1407-M1410 PolarHBondContact O-N 3.46Å; I1407-L1411 HydrophobicContact CG2-CD1 4.04Å; I1407-L1411 HydrophobicContact CG2-CG 4.29Å; I1407-L1411 VanDerWaalsContact O-CG 3.29Å; I1407-L1411 WeakPolarHBondContact O-CG 3.47Å; I1407-L1411 PolarHBondContact O-N 2.7Å |
| 1408 | Q | 88.7 | Confident | 87.3 | Confident | 81 Ų | 81 | 40.3 Ų | 40.3 | 38% | 0.379 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 176.5 | -75.9 | 174.6 | -1.8 | 0 | 0 | 112.1 | A1404 K1405 M1410 L1411 I1412 | A1404-Q1408 WeakPolarHBondContact O-CB 3.38Å; A1404-Q1408 VanDerWaalsContact O-CG 3.27Å; A1404-Q1408 WeakPolarHBondContact O-CG 3.24Å; A1404-Q1408 PolarHBondContact O-N 2.91Å; K1405-Q1408 PolarHBondContact O-N 3.49Å; Q1408-M1410 VanDerWaalsContact C-N 3.31Å; Q1408-M1410 PolarHBondContact O-N 3.11Å; Q1408-L1411 PolarHBondContact O-N 3.03Å; Q1408-I1412 WeakPolarHBondContact O-CD1 3.41Å; Q1408-I1412 VanDerWaalsContact O-CG1 3.31Å; Q1408-I1412 WeakPolarHBondContact O-CG1 3.41Å; Q1408-I1412 PolarHBondContact O-N 3.28Å |
| 1409 | C | 88.5 | Confident | 87.8 | Confident | 78 Ų | 78 | 34.2 Ų | 34.2 | 53% | 0.527 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.3 | -43 | 173.8 | -70.7 | 0 | 0 | 0 | 0 | 111.7 | K1405 V1406 I1407 L1411 I1412 E1413 | K1405-C1409 PolarHBondContact O-N 2.9Å; K1405-C1409 PolarHBondContact O-SG 3.26Å; K1405-C1409 VanDerWaalsContact O-SG 3.37Å; V1406-C1409 PolarHBondContact O-N 3.08Å; I1407-C1409 PolarHBondContact O-N 3.41Å; C1409-L1411 PolarHBondContact O-N 3.01Å; C1409-I1412 PolarHBondContact O-N 2.68Å; C1409-E1413 PolarHBondContact O-N 2.81Å |
| 1410 | M | 91.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 175.4 | -164.6 | -173 | -68 | 0 | 0 | 111.7 | L1289 L1350 S1354 I1357 V1406 I1407 Q1408 I1412 E1413 I1414 | L1289-M1410 HydrophobicContact CD1-CE 3.82Å; L1289-M1410 HydrophobicContact CD1-SD 4.37Å; L1289-M1410 HydrophobicContact CD2-SD 4.13Å; L1350-M1410 HydrophobicContact CD1-CE 3.84Å; L1350-M1410 HydrophobicContact CG-CE 4.38Å; S1354-M1410 VanDerWaalsContact OG-CA 3.29Å; S1354-M1410 WeakPolarHBondContact OG-CA 3.44Å; S1354-M1410 WeakPolarHBondContact OG-CB 3.37Å; S1354-M1410 WeakPolarHBondContact OG-CG 3.12Å; I1357-M1410 HydrophobicContact CD1-CG 3.54Å; I1357-M1410 HydrophobicContact CD1-SD 3.83Å; V1406-M1410 WeakPolarHBondContact O-CB 3.45Å; V1406-M1410 PolarHBondContact O-N 3.45Å; I1407-M1410 VanDerWaalsContact O-CB 3.31Å; I1407-M1410 WeakPolarHBondContact O-CB 3.35Å; I1407-M1410 PolarHBondContact O-N 3.46Å; Q1408-M1410 VanDerWaalsContact C-N 3.31Å; Q1408-M1410 PolarHBondContact O-N 3.11Å; M1410-I1412 PolarHBondContact O-N 3.31Å; M1410-E1413 PolarHBondContact O-N 3.14Å; M1410-I1414 HydrophobicContact CG-CD1 3.89Å; M1410-I1414 HydrophobicContact CG-CG1 4.48Å; M1410-I1414 WeakPolarHBondContact O-CD1 3.34Å; M1410-I1414 WeakPolarHBondContact O-CG1 3.28Å; M1410-I1414 PolarHBondContact O-N 3.11Å; M1410-I1414 HydrophobicContact SD-CD1 4.44Å |
| 1411 | L | 91.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | 179.7 | -68.8 | 174.2 | 0 | 0 | 0 | 112.4 | L1373 L1377 I1407 Q1408 C1409 E1413 Y1415 F1422 L1436 I1439 L1443 | L1373-L1411 HydrophobicContact CD1-CD2 4.11Å; L1377-L1411 HydrophobicContact CD2-CD1 4.42Å; I1407-L1411 HydrophobicContact CG2-CD1 4.04Å; I1407-L1411 HydrophobicContact CG2-CG 4.29Å; I1407-L1411 VanDerWaalsContact O-CG 3.29Å; I1407-L1411 WeakPolarHBondContact O-CG 3.47Å; I1407-L1411 PolarHBondContact O-N 2.7Å; Q1408-L1411 PolarHBondContact O-N 3.03Å; C1409-L1411 PolarHBondContact O-N 3.01Å; L1411-E1413 VanDerWaalsContact C-N 3.35Å; L1411-Y1415 WeakPolarHBondContact O-CB 3.48Å; L1411-Y1415 PolarHBondContact O-N 3.35Å; L1411-F1422 HydrophobicContact CD2-CE1 3.88Å; L1411-F1422 HydrophobicContact CD2-CZ 3.8Å; L1411-L1436 HydrophobicContact CD1-CD1 3.49Å; L1411-L1436 VanDerWaalsContact CD1-CD1 3.49Å; L1411-L1436 HydrophobicContact CD2-CD1 3.52Å; L1411-L1436 HydrophobicContact CG-CD1 4.16Å; L1411-I1439 HydrophobicContact CD1-CG2 4.19Å; L1411-L1443 HydrophobicContact CB-CD1 4.37Å |
| 1412 | I | 88.7 | Confident | 88.7 | Confident | 82 Ų | 82 | 34.7 Ų | 34.7 | 42% | 0.421 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.8 | -46.4 | 173.8 | -68.8 | 161 | 0 | 0 | 0 | 110.1 | Q1408 C1409 M1410 Y1415 G1416 L1443 M1447 | Q1408-I1412 WeakPolarHBondContact O-CD1 3.41Å; Q1408-I1412 VanDerWaalsContact O-CG1 3.31Å; Q1408-I1412 WeakPolarHBondContact O-CG1 3.41Å; Q1408-I1412 PolarHBondContact O-N 3.28Å; C1409-I1412 PolarHBondContact O-N 2.68Å; M1410-I1412 PolarHBondContact O-N 3.31Å; I1412-Y1415 PolarHBondContact O-N 2.61Å; I1412-G1416 PolarHBondContact O-N 2.94Å; I1412-L1443 HydrophobicContact CG1-CD1 4.5Å; I1412-L1443 HydrophobicContact CG1-CD2 3.76Å; I1412-M1447 HydrophobicContact CG2-SD 4.38Å |
| 1413 | E | 88 | Confident | 88.8 | Confident | 45 Ų | 45 | 31 Ų | 31 | 21% | 0.21 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | -179.1 | -173.7 | 152.8 | -154.2 | 0 | 0 | 112.3 | I1357 R1358 C1409 M1410 L1411 G1416 C1417 | I1357-E1413 HydrophobicContact CG2-CB 4.31Å; I1357-E1413 HydrophobicContact CG2-CG 3.88Å; R1358-E1413 IonicContact CZ-OE1 3.66Å; R1358-E1413 IonicContact NE-OE1 3.65Å; R1358-E1413 PolarHBondContact NE-OE1 3Å; R1358-E1413 IonicContact NH2-OE1 2.84Å; R1358-E1413 PolarHBondContact NH2-OE1 2.92Å; C1409-E1413 PolarHBondContact O-N 2.81Å; M1410-E1413 PolarHBondContact O-N 3.14Å; L1411-E1413 VanDerWaalsContact C-N 3.35Å; E1413-G1416 PolarHBondContact O-N 3.45Å; E1413-C1417 PolarHBondContact O-N 3.43Å; E1413-C1417 PolarHBondContact O-SG 3.2Å |
| 1414 | I | 90.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.7 | -53 | 173.1 | -68.3 | 162.6 | 0 | 0 | 0 | 109.8 | I1357 I1361 W1366 M1410 G1416 C1417 I1418 F1422 | I1357-I1414 HydrophobicContact CD1-CD1 3.62Å; I1357-I1414 HydrophobicContact CD1-CG1 3.6Å; I1357-I1414 HydrophobicContact CG1-CG1 4.35Å; I1357-I1414 HydrophobicContact CG2-CG1 4.47Å; I1361-I1414 HydrophobicContact CD1-CB 4.4Å; I1361-I1414 HydrophobicContact CD1-CG1 4.41Å; I1361-I1414 HydrophobicContact CD1-CG2 4.19Å; W1366-I1414 HydrophobicContact CH2-CD1 3.8Å; W1366-I1414 HydrophobicContact CH2-CG1 3.98Å; W1366-I1414 HydrophobicContact CH2-CG2 3.66Å; W1366-I1414 HydrophobicContact CZ2-CG2 4.23Å; W1366-I1414 HydrophobicContact CZ3-CD1 3.86Å; W1366-I1414 HydrophobicContact CZ3-CG2 4.33Å; M1410-I1414 HydrophobicContact CG-CD1 3.89Å; M1410-I1414 HydrophobicContact CG-CG1 4.48Å; M1410-I1414 WeakPolarHBondContact O-CD1 3.34Å; M1410-I1414 WeakPolarHBondContact O-CG1 3.28Å; M1410-I1414 PolarHBondContact O-N 3.11Å; M1410-I1414 HydrophobicContact SD-CD1 4.44Å; I1414-G1416 VanDerWaalsContact C-N 3.29Å; I1414-G1416 PolarHBondContact O-N 3.48Å; I1414-C1417 PolarHBondContact O-N 3.3Å; I1414-I1418 HydrophobicContact CG2-CD1 3.8Å; I1414-I1418 HydrophobicContact CG2-CG1 3.97Å; I1414-I1418 WeakPolarHBondContact O-CG1 3.34Å; I1414-I1418 PolarHBondContact O-N 2.98Å; I1414-F1422 HydrophobicContact CD1-CZ 4.48Å; I1414-F1422 HydrophobicContact CG2-CD1 3.87Å; I1414-F1422 HydrophobicContact CG2-CD2 3.59Å; I1414-F1422 HydrophobicContact CG2-CE1 3.9Å; I1414-F1422 HydrophobicContact CG2-CE2 3.64Å; I1414-F1422 HydrophobicContact CG2-CG 3.73Å; I1414-F1422 HydrophobicContact CG2-CZ 3.8Å |
| 1415 | Y | 90.7 | Very high | 89 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -38 | -179.7 | -168.8 | -97.2 | 0 | 0 | 0 | 111.6 | L1411 I1412 C1417 G1419 F1422 I1423 V1440 L1443 K1444 M1447 A1450 | L1411-Y1415 WeakPolarHBondContact O-CB 3.48Å; L1411-Y1415 PolarHBondContact O-N 3.35Å; I1412-Y1415 PolarHBondContact O-N 2.61Å; Y1415-C1417 VanDerWaalsContact C-N 3.28Å; Y1415-C1417 PolarHBondContact O-N 2.91Å; Y1415-G1419 WeakPolarHBondContact CE2-O 3.31Å; Y1415-G1419 WeakPolarHBondContact O-CA 3.41Å; Y1415-G1419 PolarHBondContact O-N 3.38Å; Y1415-F1422 HydrophobicContact CD2-CB 4.32Å; Y1415-F1422 HydrophobicContact CD2-CD1 4.28Å; Y1415-I1423 HydrophobicContact CE2-CD1 4.01Å; Y1415-I1423 HydrophobicContact CE2-CG1 4.03Å; Y1415-V1440 HydrophobicContact CD2-CG1 3.91Å; Y1415-V1440 HydrophobicContact CE2-CG1 4.17Å; Y1415-L1443 HydrophobicContact CD1-CB 3.94Å; Y1415-L1443 HydrophobicContact CE1-CB 4.35Å; Y1415-L1443 HydrophobicContact CG-CB 4.05Å; Y1415-L1443 HydrophobicContact CG-CD1 4.39Å; Y1415-K1444 VanDerWaalsContact OH-CA 3.29Å; Y1415-K1444 WeakPolarHBondContact OH-CA 3.33Å; Y1415-K1444 WeakPolarHBondContact OH-CB 3.01Å; Y1415-K1444 WeakPolarHBondContact OH-CG 3.44Å; Y1415-M1447 HydrophobicContact CD1-CB 4.06Å; Y1415-M1447 HydrophobicContact CD1-CE 4.1Å; Y1415-M1447 HydrophobicContact CD1-SD 4.18Å; Y1415-M1447 HydrophobicContact CE1-CB 3.85Å; Y1415-M1447 WeakPolarHBondContact CE1-O 3.18Å; Y1415-A1450 HydrophobicContact CD1-CB 4.04Å; Y1415-A1450 HydrophobicContact CE1-CB 3.79Å; Y1415-A1450 WeakPolarHBondContact O-CB 3.45Å |
| 1416 | G | 88.5 | Confident | 89.1 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -31.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1412 E1413 I1414 P1451 Y1452 | I1412-G1416 PolarHBondContact O-N 2.94Å; E1413-G1416 PolarHBondContact O-N 3.45Å; I1414-G1416 VanDerWaalsContact C-N 3.29Å; I1414-G1416 PolarHBondContact O-N 3.48Å; G1416-P1451 CarbonylContact O-C 3.48Å; G1416-P1451 VanDerWaalsContact O-CA 3.27Å; G1416-P1451 WeakPolarHBondContact O-CA 3.36Å; G1416-Y1452 PolarHBondContact O-N 3.13Å |
| 1417 | C | 87.7 | Confident | 89.1 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -85 | -39.4 | -178.5 | -68.4 | 0 | 0 | 0 | 0 | 114.1 | I1361 E1413 I1414 Y1415 P1451 | I1361-C1417 HydrophobicContact CD1-CB 3.56Å; E1413-C1417 PolarHBondContact O-N 3.43Å; E1413-C1417 PolarHBondContact O-SG 3.2Å; I1414-C1417 PolarHBondContact O-N 3.3Å; Y1415-C1417 VanDerWaalsContact C-N 3.28Å; Y1415-C1417 PolarHBondContact O-N 2.91Å; C1417-P1451 VanDerWaalsContact C-CB 3.47Å; C1417-P1451 WeakPolarHBondContact O-CB 3.49Å |
| 1418 | I | 88 | Confident | 89 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -117.3 | -11.5 | -174.3 | 52.5 | 162.6 | 0 | 0 | 0 | 114.6 | I1361 W1366 I1414 K1421 F1422 | I1361-I1418 HydrophobicContact CD1-CD1 4.49Å; I1361-I1418 HydrophobicContact CD1-CG1 4.15Å; I1361-I1418 HydrophobicContact CD1-CG2 3.93Å; I1361-I1418 HydrophobicContact CG1-CG2 4.37Å; W1366-I1418 HydrophobicContact CZ2-CD1 4.17Å; I1414-I1418 HydrophobicContact CG2-CD1 3.8Å; I1414-I1418 HydrophobicContact CG2-CG1 3.97Å; I1414-I1418 WeakPolarHBondContact O-CG1 3.34Å; I1414-I1418 PolarHBondContact O-N 2.98Å; I1418-K1421 WeakPolarHBondContact O-CB 3.35Å; I1418-K1421 PolarHBondContact O-N 3.44Å; I1418-F1422 HydrophobicContact CD1-CB 3.51Å; I1418-F1422 HydrophobicContact CD1-CD2 3.75Å; I1418-F1422 HydrophobicContact CD1-CG 3.92Å; I1418-F1422 HydrophobicContact CG1-CB 3.87Å |
| 1419 | G | 89.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | -138.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1415 K1421 F1422 | Y1415-G1419 WeakPolarHBondContact CE2-O 3.31Å; Y1415-G1419 WeakPolarHBondContact O-CA 3.41Å; Y1415-G1419 PolarHBondContact O-N 3.38Å; G1419-K1421 PolarHBondContact O-N 3.42Å; G1419-F1422 WeakPolarHBondContact O-CB 3.28Å; G1419-F1422 PolarHBondContact O-N 2.99Å |
| 1420 | S | 87 | Confident | 88.6 | Confident | 52 Ų | 52 | 45 Ų | 45 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.6 | -24.8 | -177.3 | -63.4 | 0 | 0 | 0 | 0 | 114.1 | F1422 I1423 E1424 | S1420-F1422 PolarHBondContact O-N 2.75Å; S1420-I1423 VanDerWaalsContact O-CB 3.31Å; S1420-I1423 WeakPolarHBondContact O-CB 3.38Å; S1420-I1423 PolarHBondContact O-N 3.28Å; S1420-E1424 PolarHBondContact O-N 2.99Å |
| 1421 | K | 86.6 | Confident | 88.1 | Confident | 124 Ų | 124 | 52.6 Ų | 52.6 | 54% | 0.539 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.8 | -30 | 174.9 | -169.4 | -180 | 178.6 | -175.1 | 0 | 112.2 | I1418 G1419 I1423 E1424 E1425 | I1418-K1421 WeakPolarHBondContact O-CB 3.35Å; I1418-K1421 PolarHBondContact O-N 3.44Å; G1419-K1421 PolarHBondContact O-N 3.42Å; K1421-I1423 VanDerWaalsContact C-N 3.3Å; K1421-I1423 PolarHBondContact O-N 2.85Å; K1421-E1424 PolarHBondContact O-N 3.16Å; K1421-E1425 PolarHBondContact O-N 3.48Å |
| 1422 | F | 90.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 175.1 | -169.8 | -138.7 | 0 | 0 | 0 | 112 | W1366 L1370 L1411 I1414 Y1415 I1418 G1419 S1420 E1424 E1425 V1426 V1440 | W1366-F1422 HydrophobicContact CD2-CE2 4.41Å; W1366-F1422 AromaticContact CE3-CE2 3.92Å; W1366-F1422 HydrophobicContact CE3-CE2 3.92Å; W1366-F1422 HydrophobicContact CH2-CE2 4.18Å; W1366-F1422 AromaticContact CZ3-CE2 3.8Å; W1366-F1422 HydrophobicContact CZ3-CE2 3.8Å; L1370-F1422 HydrophobicContact CD2-CE2 4Å; L1370-F1422 HydrophobicContact CD2-CZ 4.15Å; L1411-F1422 HydrophobicContact CD2-CE1 3.88Å; L1411-F1422 HydrophobicContact CD2-CZ 3.8Å; I1414-F1422 HydrophobicContact CD1-CZ 4.48Å; I1414-F1422 HydrophobicContact CG2-CD1 3.87Å; I1414-F1422 HydrophobicContact CG2-CD2 3.59Å; I1414-F1422 HydrophobicContact CG2-CE1 3.9Å; I1414-F1422 HydrophobicContact CG2-CE2 3.64Å; I1414-F1422 HydrophobicContact CG2-CG 3.73Å; I1414-F1422 HydrophobicContact CG2-CZ 3.8Å; Y1415-F1422 HydrophobicContact CD2-CB 4.32Å; Y1415-F1422 HydrophobicContact CD2-CD1 4.28Å; I1418-F1422 HydrophobicContact CD1-CB 3.51Å; I1418-F1422 HydrophobicContact CD1-CD2 3.75Å; I1418-F1422 HydrophobicContact CD1-CG 3.92Å; I1418-F1422 HydrophobicContact CG1-CB 3.87Å; G1419-F1422 WeakPolarHBondContact O-CB 3.28Å; G1419-F1422 PolarHBondContact O-N 2.99Å; S1420-F1422 PolarHBondContact O-N 2.75Å; F1422-E1424 VanDerWaalsContact C-N 3.31Å; F1422-E1424 PolarHBondContact O-N 2.91Å; F1422-E1425 PolarHBondContact O-N 2.72Å; F1422-E1425 VanDerWaalsContact O-N 3.16Å; F1422-V1426 HydrophobicContact CD1-CG2 4.41Å; F1422-V1426 HydrophobicContact CD2-CG2 4.16Å; F1422-V1426 HydrophobicContact CE1-CG2 4.16Å; F1422-V1426 HydrophobicContact CE2-CG2 3.88Å; F1422-V1426 HydrophobicContact CG-CG2 4.41Å; F1422-V1426 HydrophobicContact CZ-CG2 3.87Å; F1422-V1426 WeakPolarHBondContact O-CG2 3.35Å; F1422-V1426 PolarHBondContact O-N 3.33Å; F1422-V1440 HydrophobicContact CD1-CG1 3.74Å; F1422-V1440 HydrophobicContact CD1-CG2 3.89Å; F1422-V1440 HydrophobicContact CE1-CG1 4.26Å; F1422-V1440 HydrophobicContact CE1-CG2 3.53Å; F1422-V1440 HydrophobicContact CZ-CG2 4.44Å |
| 1423 | I | 88.9 | Confident | 87.4 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 178.3 | -58.6 | 165.9 | 0 | 0 | 0 | 109.8 | Y1415 S1420 K1421 E1425 V1426 E1427 V1440 Y1441 K1444 | Y1415-I1423 HydrophobicContact CE2-CD1 4.01Å; Y1415-I1423 HydrophobicContact CE2-CG1 4.03Å; S1420-I1423 VanDerWaalsContact O-CB 3.31Å; S1420-I1423 WeakPolarHBondContact O-CB 3.38Å; S1420-I1423 PolarHBondContact O-N 3.28Å; K1421-I1423 VanDerWaalsContact C-N 3.3Å; K1421-I1423 PolarHBondContact O-N 2.85Å; I1423-E1425 VanDerWaalsContact C-N 3.26Å; I1423-E1425 PolarHBondContact O-N 3.11Å; I1423-V1426 PolarHBondContact O-N 3.25Å; I1423-E1427 HydrophobicContact CG2-CG 4.14Å; I1423-E1427 WeakPolarHBondContact CG2-OE1 3.49Å; I1423-E1427 WeakPolarHBondContact O-CB 3.25Å; I1423-E1427 WeakPolarHBondContact O-CG 3.33Å; I1423-E1427 PolarHBondContact O-N 2.97Å; I1423-V1440 HydrophobicContact CG1-CG1 3.57Å; I1423-Y1441 HydrophobicContact CG2-CD1 4.49Å; I1423-Y1441 HydrophobicContact CG2-CE1 3.87Å; I1423-K1444 HydrophobicContact CD1-CB 4Å; I1423-K1444 HydrophobicContact CD1-CD 3.62Å; I1423-K1444 HydrophobicContact CD1-CG 3.95Å |
| 1424 | E | 88.1 | Confident | 87.2 | Confident | 118 Ų | 118 | 55 Ų | 55 | 55% | 0.551 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.6 | -38.5 | 177.1 | -63 | 173.9 | -173 | 0 | 0 | 111.7 | S1420 K1421 F1422 K1428 | S1420-E1424 PolarHBondContact O-N 2.99Å; K1421-E1424 PolarHBondContact O-N 3.16Å; F1422-E1424 VanDerWaalsContact C-N 3.31Å; F1422-E1424 PolarHBondContact O-N 2.91Å; E1424-K1428 WeakPolarHBondContact O-CG 3.32Å; E1424-K1428 PolarHBondContact O-N 3.13Å |
| 1425 | E | 88.9 | Confident | 87 | Confident | 37 Ų | 37 | 55 Ų | 55 | 17% | 0.173 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 175.2 | -66.4 | -57.4 | 147.9 | 0 | 0 | 112.5 | W1366 K1421 F1422 I1423 K1428 | W1366-E1425 HydrophobicContact CB-CB 4.48Å; W1366-E1425 HydrophobicContact CG-CB 4.35Å; W1366-E1425 HydrophobicContact CG-CG 4.43Å; K1421-E1425 PolarHBondContact O-N 3.48Å; F1422-E1425 PolarHBondContact O-N 2.72Å; F1422-E1425 VanDerWaalsContact O-N 3.16Å; I1423-E1425 VanDerWaalsContact C-N 3.26Å; I1423-E1425 PolarHBondContact O-N 3.11Å; E1425-K1428 PolarHBondContact O-N 3.24Å; E1425-K1428 IonicContact OE1-NZ 2.77Å; E1425-K1428 PolarHBondContact OE1-NZ 3.48Å; E1425-K1428 IonicContact OE2-NZ 2.75Å; E1425-K1428 PolarHBondContact OE2-NZ 2.92Å |
| 1426 | V | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | L1370 F1422 I1423 K1428 Y1429 R1430 C1433 L1436 L1437 V1440 | L1370-V1426 HydrophobicContact CD1-CG2 4.35Å; L1370-V1426 HydrophobicContact CD2-CG2 3.81Å; F1422-V1426 HydrophobicContact CD1-CG2 4.41Å; F1422-V1426 HydrophobicContact CD2-CG2 4.16Å; F1422-V1426 HydrophobicContact CE1-CG2 4.16Å; F1422-V1426 HydrophobicContact CE2-CG2 3.88Å; F1422-V1426 HydrophobicContact CG-CG2 4.41Å; F1422-V1426 HydrophobicContact CZ-CG2 3.87Å; F1422-V1426 WeakPolarHBondContact O-CG2 3.35Å; F1422-V1426 PolarHBondContact O-N 3.33Å; I1423-V1426 PolarHBondContact O-N 3.25Å; V1426-K1428 VanDerWaalsContact C-N 3.26Å; V1426-K1428 PolarHBondContact O-N 3.14Å; V1426-Y1429 CarbonylContact O-C 3.57Å; V1426-Y1429 PolarHBondContact O-N 3.1Å; V1426-R1430 PolarHBondContact O-N 3.12Å; V1426-C1433 HydrophobicContact CG1-CB 4.34Å; V1426-L1436 HydrophobicContact CG1-CD2 4.11Å; V1426-L1436 HydrophobicContact CG1-CG 4.02Å; V1426-L1436 HydrophobicContact CG2-CD2 4.37Å; V1426-L1437 HydrophobicContact CB-CD1 4.45Å; V1426-L1437 HydrophobicContact CG1-CB 4.18Å; V1426-L1437 HydrophobicContact CG1-CD1 4.01Å; V1426-V1440 HydrophobicContact CG2-CG2 4.21Å |
| 1427 | E | 89.6 | Confident | 86.9 | Confident | 85 Ų | 85 | 55.4 Ų | 55.4 | 40% | 0.397 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.6 | -31.4 | 178.7 | -81.3 | -178.1 | -174.2 | 0 | 0 | 113 | I1423 Y1429 R1430 L1437 Y1441 | I1423-E1427 HydrophobicContact CG2-CG 4.14Å; I1423-E1427 WeakPolarHBondContact CG2-OE1 3.49Å; I1423-E1427 WeakPolarHBondContact O-CB 3.25Å; I1423-E1427 WeakPolarHBondContact O-CG 3.33Å; I1423-E1427 PolarHBondContact O-N 2.97Å; E1427-Y1429 PolarHBondContact O-N 3.17Å; E1427-Y1429 VanDerWaalsContact O-N 3.15Å; E1427-R1430 VanDerWaalsContact O-CB 3.31Å; E1427-R1430 WeakPolarHBondContact O-CB 3.35Å; E1427-R1430 PolarHBondContact O-N 3.17Å; E1427-R1430 VanDerWaalsContact O-N 3.16Å; E1427-L1437 HydrophobicContact CG-CD1 3.85Å; E1427-Y1441 PolarHBondContact OE1-OH 3.11Å |
| 1428 | K | 88.7 | Confident | 86.9 | Confident | 134 Ų | 134 | 59.8 Ų | 59.8 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.6 | 174 | -67.9 | 172.3 | -166.1 | 170.5 | 0 | 113 | E1424 E1425 V1426 | E1424-K1428 WeakPolarHBondContact O-CG 3.32Å; E1424-K1428 PolarHBondContact O-N 3.13Å; E1425-K1428 PolarHBondContact O-N 3.24Å; E1425-K1428 IonicContact OE1-NZ 2.77Å; E1425-K1428 PolarHBondContact OE1-NZ 3.48Å; E1425-K1428 IonicContact OE2-NZ 2.75Å; E1425-K1428 PolarHBondContact OE2-NZ 2.92Å; V1426-K1428 VanDerWaalsContact C-N 3.26Å; V1426-K1428 PolarHBondContact O-N 3.14Å |
| 1429 | Y | 86.8 | Confident | 86.9 | Confident | 75 Ų | 75 | 59.9 Ų | 59.9 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 25.5 | -178.7 | -58.7 | -85 | 0 | 0 | 0 | 112.1 | G1367 L1370 V1426 E1427 D1431 Q1432 C1433 | G1367-Y1429 WeakPolarHBondContact CA-OH 3.35Å; L1370-Y1429 HydrophobicContact CD1-CD2 3.69Å; L1370-Y1429 HydrophobicContact CD1-CE2 4.26Å; L1370-Y1429 HydrophobicContact CD1-CG 4.5Å; V1426-Y1429 CarbonylContact O-C 3.57Å; V1426-Y1429 PolarHBondContact O-N 3.1Å; E1427-Y1429 PolarHBondContact O-N 3.17Å; E1427-Y1429 VanDerWaalsContact O-N 3.15Å; Y1429-D1431 PolarHBondContact O-N 2.74Å; Y1429-D1431 VanDerWaalsContact O-N 3.1Å; Y1429-Q1432 PolarHBondContact O-N 3.37Å; Y1429-C1433 WeakPolarHBondContact O-CB 3.37Å; Y1429-C1433 PolarHBondContact O-N 3.06Å; Y1429-C1433 VanDerWaalsContact O-N 3.07Å |
| 1430 | R | 82.1 | Confident | 86.9 | Confident | 141 Ų | 141 | 59.9 Ų | 59.9 | 53% | 0.532 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | -42.1 | -176.3 | 169.1 | -179.3 | -99.6 | -122.7 | 1.5 | 113.9 | V1426 E1427 Q1432 C1433 L1437 | V1426-R1430 PolarHBondContact O-N 3.12Å; E1427-R1430 VanDerWaalsContact O-CB 3.31Å; E1427-R1430 WeakPolarHBondContact O-CB 3.35Å; E1427-R1430 PolarHBondContact O-N 3.17Å; E1427-R1430 VanDerWaalsContact O-N 3.16Å; R1430-Q1432 PolarHBondContact O-N 3.37Å; R1430-C1433 PolarHBondContact O-N 2.97Å; R1430-L1437 HydrophobicContact CB-CD2 4.47Å; R1430-L1437 HydrophobicContact CG-CD2 4.01Å |
| 1431 | D | 80 | Confident | 87 | Confident | 162 Ų | 162 | 61.5 Ų | 61.5 | 87% | 0.866 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.8 | -177.1 | -62.5 | -27.9 | 0 | 0 | 0 | 113.2 | Y1429 | Y1429-D1431 PolarHBondContact O-N 2.74Å; Y1429-D1431 VanDerWaalsContact O-N 3.1Å |
| 1432 | Q | 80.3 | Confident | 87.1 | Confident | 104 Ų | 104 | 58.2 Ų | 58.2 | 49% | 0.486 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -17.9 | -178.8 | -60.8 | 177.2 | 10.1 | 0 | 0 | 112.8 | E1374 Y1429 R1430 | E1374-Q1432 WeakPolarHBondContact CG-O 3.46Å; Y1429-Q1432 PolarHBondContact O-N 3.37Å; R1430-Q1432 PolarHBondContact O-N 3.37Å |
| 1433 | C | 85.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -130 | 44.7 | -165 | -64.9 | 0 | 0 | 0 | 0 | 112.6 | E1374 V1426 Y1429 R1430 S1435 L1436 L1437 | E1374-C1433 VanDerWaalsContact OE2-C 3.31Å; E1374-C1433 WeakPolarHBondContact OE2-CA 3.46Å; V1426-C1433 HydrophobicContact CG1-CB 4.34Å; Y1429-C1433 WeakPolarHBondContact O-CB 3.37Å; Y1429-C1433 PolarHBondContact O-N 3.06Å; Y1429-C1433 VanDerWaalsContact O-N 3.07Å; R1430-C1433 PolarHBondContact O-N 2.97Å; C1433-S1435 PolarHBondContact O-N 3.02Å; C1433-L1436 HydrophobicContact CB-CB 4.13Å; C1433-L1436 HydrophobicContact CB-CD2 4.22Å; C1433-L1436 PolarHBondContact O-N 3.14Å; C1433-L1437 VanDerWaalsContact O-CB 3.31Å; C1433-L1437 WeakPolarHBondContact O-CB 3.23Å; C1433-L1437 PolarHBondContact O-N 3.31Å | ||
| 1434 | S | 84.5 | Confident | 87.1 | Confident | 72 Ų | 72 | 62.6 Ų | 62.6 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | -172.6 | 65.7 | 0 | 0 | 0 | 0 | 114 | E1374 H1438 | E1374-S1434 PolarHBondContact OE1-N 3.25Å; E1374-S1434 VanDerWaalsContact OE1-N 3.12Å; E1374-S1434 PolarHBondContact OE1-OG 3.41Å; E1374-S1434 VanDerWaalsContact OE1-OG 3.06Å; S1434-H1438 PolarHBondContact O-N 3.33Å |
| 1435 | S | 85.5 | Confident | 87.1 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.6 | -42.3 | -178.7 | -48.5 | 0 | 0 | 0 | 0 | 110 | E1374 C1433 L1437 H1438 I1439 | E1374-S1435 VanDerWaalsContact OE1-CB 3.25Å; E1374-S1435 WeakPolarHBondContact OE1-CB 3.23Å; E1374-S1435 PolarHBondContact OE1-N 3.01Å; E1374-S1435 PolarHBondContact OE1-OG 3.11Å; E1374-S1435 PolarHBondContact OE2-N 2.45Å; C1433-S1435 PolarHBondContact O-N 3.02Å; S1435-L1437 VanDerWaalsContact C-N 3.34Å; S1435-L1437 PolarHBondContact O-N 3.36Å; S1435-H1438 WeakPolarHBondContact O-CB 3.4Å; S1435-H1438 PolarHBondContact O-N 2.98Å; S1435-I1439 WeakPolarHBondContact O-CG1 3.44Å; S1435-I1439 PolarHBondContact O-N 3.33Å; S1435-I1439 VanDerWaalsContact O-N 3.08Å |
| 1436 | L | 88.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 173.1 | -177.7 | 60.9 | 0 | 0 | 0 | 111.7 | L1370 E1374 L1377 L1411 V1426 C1433 H1438 I1439 V1440 | L1370-L1436 HydrophobicContact CB-CD2 4.26Å; L1370-L1436 HydrophobicContact CD2-CD2 3.48Å; L1370-L1436 VanDerWaalsContact CD2-CD2 3.48Å; L1370-L1436 HydrophobicContact CG-CD2 4.46Å; E1374-L1436 WeakPolarHBondContact OE2-CB 3.14Å; E1374-L1436 PolarHBondContact OE2-N 2.86Å; L1377-L1436 HydrophobicContact CD1-CB 3.76Å; L1377-L1436 HydrophobicContact CD1-CD1 3.81Å; L1377-L1436 HydrophobicContact CD1-CG 4.37Å; L1411-L1436 HydrophobicContact CD1-CD1 3.49Å; L1411-L1436 VanDerWaalsContact CD1-CD1 3.49Å; L1411-L1436 HydrophobicContact CD2-CD1 3.52Å; L1411-L1436 HydrophobicContact CG-CD1 4.16Å; V1426-L1436 HydrophobicContact CG1-CD2 4.11Å; V1426-L1436 HydrophobicContact CG1-CG 4.02Å; V1426-L1436 HydrophobicContact CG2-CD2 4.37Å; C1433-L1436 HydrophobicContact CB-CB 4.13Å; C1433-L1436 HydrophobicContact CB-CD2 4.22Å; C1433-L1436 PolarHBondContact O-N 3.14Å; L1436-H1438 VanDerWaalsContact C-N 3.3Å; L1436-H1438 PolarHBondContact O-N 3.36Å; L1436-I1439 PolarHBondContact O-N 2.78Å; L1436-I1439 VanDerWaalsContact O-N 3.14Å; L1436-V1440 HydrophobicContact CD1-CG2 4.2Å; L1436-V1440 HydrophobicContact CG-CG2 4.43Å; L1436-V1440 WeakPolarHBondContact O-CG2 3.38Å; L1436-V1440 PolarHBondContact O-N 3.45Å |
| 1437 | L | 88.4 | Confident | 86.9 | Confident | 12 Ų | 12 | 65.6 Ų | 65.6 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 178.2 | -173.4 | 66.5 | 0 | 0 | 0 | 111.6 | V1426 E1427 R1430 C1433 S1435 I1439 V1440 Y1441 | V1426-L1437 HydrophobicContact CB-CD1 4.45Å; V1426-L1437 HydrophobicContact CG1-CB 4.18Å; V1426-L1437 HydrophobicContact CG1-CD1 4.01Å; E1427-L1437 HydrophobicContact CG-CD1 3.85Å; R1430-L1437 HydrophobicContact CB-CD2 4.47Å; R1430-L1437 HydrophobicContact CG-CD2 4.01Å; C1433-L1437 VanDerWaalsContact O-CB 3.31Å; C1433-L1437 WeakPolarHBondContact O-CB 3.23Å; C1433-L1437 PolarHBondContact O-N 3.31Å; S1435-L1437 VanDerWaalsContact C-N 3.34Å; S1435-L1437 PolarHBondContact O-N 3.36Å; L1437-I1439 PolarHBondContact O-N 3.48Å; L1437-V1440 PolarHBondContact O-N 2.61Å; L1437-Y1441 HydrophobicContact CD1-CD2 4.05Å; L1437-Y1441 HydrophobicContact CD1-CE2 3.53Å; L1437-Y1441 HydrophobicContact CD2-CE2 3.97Å; L1437-Y1441 HydrophobicContact CG-CD2 3.83Å; L1437-Y1441 HydrophobicContact CG-CE2 3.49Å; L1437-Y1441 VanDerWaalsContact CG-CE2 3.49Å; L1437-Y1441 WeakPolarHBondContact O-CD2 3.35Å; L1437-Y1441 PolarHBondContact O-N 2.99Å |
| 1438 | H | 87.7 | Confident | 86.5 | Confident | 102 Ų | 102 | 68 Ų | 68 | 47% | 0.472 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 175.1 | -178.1 | -85.5 | 0 | 0 | 0 | 112.3 | S1434 S1435 L1436 Y1441 T1442 | S1434-H1438 PolarHBondContact O-N 3.33Å; S1435-H1438 WeakPolarHBondContact O-CB 3.4Å; S1435-H1438 PolarHBondContact O-N 2.98Å; L1436-H1438 VanDerWaalsContact C-N 3.3Å; L1436-H1438 PolarHBondContact O-N 3.36Å; H1438-Y1441 PolarHBondContact O-N 2.91Å; H1438-T1442 PolarHBondContact O-N 2.99Å; H1438-T1442 PolarHBondContact O-OG1 3.18Å |
| 1439 | I | 88.1 | Confident | 86 | Confident | 32 Ų | 32 | 68.1 Ų | 68.1 | 16% | 0.164 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 177.8 | -67.3 | 174.6 | 0 | 0 | 0 | 110.9 | L1377 L1411 S1435 L1436 L1437 Y1441 T1442 L1443 | L1377-I1439 HydrophobicContact CB-CD1 4.29Å; L1377-I1439 HydrophobicContact CD1-CD1 4.04Å; L1377-I1439 HydrophobicContact CD2-CD1 3.67Å; L1377-I1439 HydrophobicContact CG-CD1 4.2Å; L1411-I1439 HydrophobicContact CD1-CG2 4.19Å; S1435-I1439 WeakPolarHBondContact O-CG1 3.44Å; S1435-I1439 PolarHBondContact O-N 3.33Å; S1435-I1439 VanDerWaalsContact O-N 3.08Å; L1436-I1439 PolarHBondContact O-N 2.78Å; L1436-I1439 VanDerWaalsContact O-N 3.14Å; L1437-I1439 PolarHBondContact O-N 3.48Å; I1439-Y1441 PolarHBondContact O-N 3.44Å; I1439-T1442 WeakPolarHBondContact O-CA 3.4Å; I1439-T1442 VanDerWaalsContact O-CB 3.31Å; I1439-T1442 WeakPolarHBondContact O-CB 3.48Å; I1439-T1442 PolarHBondContact O-N 3.22Å; I1439-T1442 VanDerWaalsContact O-N 3.11Å; I1439-L1443 HydrophobicContact CG2-CD1 4.44Å; I1439-L1443 WeakPolarHBondContact O-CG 3.49Å; I1439-L1443 PolarHBondContact O-N 3.1Å |
| 1440 | V | 88.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.3 | -37.6 | -178.9 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | Y1415 F1422 I1423 V1426 L1436 L1437 T1442 L1443 K1444 | Y1415-V1440 HydrophobicContact CD2-CG1 3.91Å; Y1415-V1440 HydrophobicContact CE2-CG1 4.17Å; F1422-V1440 HydrophobicContact CD1-CG1 3.74Å; F1422-V1440 HydrophobicContact CD1-CG2 3.89Å; F1422-V1440 HydrophobicContact CE1-CG1 4.26Å; F1422-V1440 HydrophobicContact CE1-CG2 3.53Å; F1422-V1440 HydrophobicContact CZ-CG2 4.44Å; I1423-V1440 HydrophobicContact CG1-CG1 3.57Å; V1426-V1440 HydrophobicContact CG2-CG2 4.21Å; L1436-V1440 HydrophobicContact CD1-CG2 4.2Å; L1436-V1440 HydrophobicContact CG-CG2 4.43Å; L1436-V1440 WeakPolarHBondContact O-CG2 3.38Å; L1436-V1440 PolarHBondContact O-N 3.45Å; L1437-V1440 PolarHBondContact O-N 2.61Å; V1440-T1442 VanDerWaalsContact C-N 3.3Å; V1440-T1442 PolarHBondContact O-N 3.01Å; V1440-L1443 WeakPolarHBondContact O-CB 3.27Å; V1440-L1443 PolarHBondContact O-N 3.04Å; V1440-K1444 PolarHBondContact O-N 2.92Å |
| 1441 | Y | 89.7 | Confident | 85.6 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 33% | 0.333 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.2 | -34.3 | 170.9 | -77.9 | -60 | 0 | 0 | 0 | 112.7 | I1423 E1427 L1437 H1438 I1439 K1444 S1445 | I1423-Y1441 HydrophobicContact CG2-CD1 4.49Å; I1423-Y1441 HydrophobicContact CG2-CE1 3.87Å; E1427-Y1441 PolarHBondContact OE1-OH 3.11Å; L1437-Y1441 HydrophobicContact CD1-CD2 4.05Å; L1437-Y1441 HydrophobicContact CD1-CE2 3.53Å; L1437-Y1441 HydrophobicContact CD2-CE2 3.97Å; L1437-Y1441 HydrophobicContact CG-CD2 3.83Å; L1437-Y1441 HydrophobicContact CG-CE2 3.49Å; L1437-Y1441 VanDerWaalsContact CG-CE2 3.49Å; L1437-Y1441 WeakPolarHBondContact O-CD2 3.35Å; L1437-Y1441 PolarHBondContact O-N 2.99Å; H1438-Y1441 PolarHBondContact O-N 2.91Å; I1439-Y1441 PolarHBondContact O-N 3.44Å; Y1441-K1444 HydrophobicContact CD1-CD 4.46Å; Y1441-K1444 WeakPolarHBondContact O-CB 3.36Å; Y1441-K1444 PolarHBondContact O-N 3.33Å; Y1441-S1445 PolarHBondContact O-N 3.43Å; Y1441-S1445 VanDerWaalsContact O-N 3.13Å |
| 1442 | T | 89 | Confident | 85.5 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 34% | 0.337 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 172.6 | -54.1 | 0 | 0 | 0 | 0 | 110.2 | H1438 I1439 V1440 K1444 S1445 I1446 | H1438-T1442 PolarHBondContact O-N 2.99Å; H1438-T1442 PolarHBondContact O-OG1 3.18Å; I1439-T1442 WeakPolarHBondContact O-CA 3.4Å; I1439-T1442 VanDerWaalsContact O-CB 3.31Å; I1439-T1442 WeakPolarHBondContact O-CB 3.48Å; I1439-T1442 PolarHBondContact O-N 3.22Å; I1439-T1442 VanDerWaalsContact O-N 3.11Å; V1440-T1442 VanDerWaalsContact C-N 3.3Å; V1440-T1442 PolarHBondContact O-N 3.01Å; T1442-K1444 VanDerWaalsContact C-N 3.29Å; T1442-K1444 PolarHBondContact O-N 3.18Å; T1442-S1445 PolarHBondContact O-N 3.45Å; T1442-S1445 VanDerWaalsContact O-N 3.09Å; T1442-S1445 PolarHBondContact O-OG 3.49Å; T1442-I1446 HydrophobicContact CG2-CD1 3.97Å; T1442-I1446 WeakPolarHBondContact O-CG1 3.46Å; T1442-I1446 PolarHBondContact O-N 2.91Å; T1442-I1446 VanDerWaalsContact O-N 3.16Å |
| 1443 | L | 90.1 | Very high | 85.1 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.4 | -38 | 173.7 | -68 | 174.6 | 0 | 0 | 0 | 112.2 | L1411 I1412 Y1415 I1439 V1440 S1445 I1446 M1447 | L1411-L1443 HydrophobicContact CB-CD1 4.37Å; I1412-L1443 HydrophobicContact CG1-CD1 4.5Å; I1412-L1443 HydrophobicContact CG1-CD2 3.76Å; Y1415-L1443 HydrophobicContact CD1-CB 3.94Å; Y1415-L1443 HydrophobicContact CE1-CB 4.35Å; Y1415-L1443 HydrophobicContact CG-CB 4.05Å; Y1415-L1443 HydrophobicContact CG-CD1 4.39Å; I1439-L1443 HydrophobicContact CG2-CD1 4.44Å; I1439-L1443 WeakPolarHBondContact O-CG 3.49Å; I1439-L1443 PolarHBondContact O-N 3.1Å; V1440-L1443 WeakPolarHBondContact O-CB 3.27Å; V1440-L1443 PolarHBondContact O-N 3.04Å; L1443-S1445 VanDerWaalsContact C-N 3.31Å; L1443-S1445 PolarHBondContact O-N 3.24Å; L1443-I1446 PolarHBondContact O-N 2.87Å; L1443-M1447 HydrophobicContact CD2-SD 4.38Å; L1443-M1447 WeakPolarHBondContact O-CB 3.23Å; L1443-M1447 PolarHBondContact O-N 3.1Å |
| 1444 | K | 89.2 | Confident | 84.5 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58 | -42.6 | 173.2 | -170.9 | -169.6 | -165.5 | 166.8 | 0 | 112.7 | Y1415 I1423 V1440 Y1441 T1442 I1446 H1448 | Y1415-K1444 VanDerWaalsContact OH-CA 3.29Å; Y1415-K1444 WeakPolarHBondContact OH-CA 3.33Å; Y1415-K1444 WeakPolarHBondContact OH-CB 3.01Å; Y1415-K1444 WeakPolarHBondContact OH-CG 3.44Å; I1423-K1444 HydrophobicContact CD1-CB 4Å; I1423-K1444 HydrophobicContact CD1-CD 3.62Å; I1423-K1444 HydrophobicContact CD1-CG 3.95Å; V1440-K1444 PolarHBondContact O-N 2.92Å; Y1441-K1444 HydrophobicContact CD1-CD 4.46Å; Y1441-K1444 WeakPolarHBondContact O-CB 3.36Å; Y1441-K1444 PolarHBondContact O-N 3.33Å; T1442-K1444 VanDerWaalsContact C-N 3.29Å; T1442-K1444 PolarHBondContact O-N 3.18Å; K1444-I1446 VanDerWaalsContact C-N 3.3Å; K1444-I1446 PolarHBondContact O-N 2.99Å; K1444-H1448 PolarHBondContact O-N 2.86Å |
| 1445 | S | 89.1 | Confident | 83.5 | Confident | 73 Ų | 73 | 59.5 Ų | 59.5 | 51% | 0.51 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.6 | -29 | 178.8 | 74.3 | 0 | 0 | 0 | 0 | 113.1 | Y1441 T1442 L1443 H1448 | Y1441-S1445 PolarHBondContact O-N 3.43Å; Y1441-S1445 VanDerWaalsContact O-N 3.13Å; T1442-S1445 PolarHBondContact O-N 3.45Å; T1442-S1445 VanDerWaalsContact O-N 3.09Å; T1442-S1445 PolarHBondContact O-OG 3.49Å; L1443-S1445 VanDerWaalsContact C-N 3.31Å; L1443-S1445 PolarHBondContact O-N 3.24Å; S1445-H1448 PolarHBondContact O-CD2 3.48Å; S1445-H1448 VanDerWaalsContact O-CD2 3.3Å |
| 1446 | I | 87.4 | Confident | 82.2 | Confident | 121 Ų | 121 | 67.1 Ų | 67.1 | 62% | 0.621 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -87.6 | -39.8 | -178.8 | -61.3 | 167.8 | 0 | 0 | 0 | 111.3 | T1442 L1443 K1444 | T1442-I1446 HydrophobicContact CG2-CD1 3.97Å; T1442-I1446 WeakPolarHBondContact O-CG1 3.46Å; T1442-I1446 PolarHBondContact O-N 2.91Å; T1442-I1446 VanDerWaalsContact O-N 3.16Å; L1443-I1446 PolarHBondContact O-N 2.87Å; K1444-I1446 VanDerWaalsContact C-N 3.3Å; K1444-I1446 PolarHBondContact O-N 2.99Å |
| 1447 | M | 85.8 | Confident | 80.4 | Confident | 23 Ų | 23 | 71.5 Ų | 71.5 | 11% | 0.113 | 36% | 0.358 | C | S | . | . | trans | -118.3 | 60.2 | -171.9 | -65.8 | 167.5 | 64.4 | 0 | 0 | 111 | I1412 Y1415 L1443 D1449 A1450 Y1452 | I1412-M1447 HydrophobicContact CG2-SD 4.38Å; Y1415-M1447 HydrophobicContact CD1-CB 4.06Å; Y1415-M1447 HydrophobicContact CD1-CE 4.1Å; Y1415-M1447 HydrophobicContact CD1-SD 4.18Å; Y1415-M1447 HydrophobicContact CE1-CB 3.85Å; Y1415-M1447 WeakPolarHBondContact CE1-O 3.18Å; L1443-M1447 HydrophobicContact CD2-SD 4.38Å; L1443-M1447 WeakPolarHBondContact O-CB 3.23Å; L1443-M1447 PolarHBondContact O-N 3.1Å; M1447-D1449 PolarHBondContact O-N 3.31Å; M1447-A1450 PolarHBondContact O-N 3.29Å; M1447-Y1452 HydrophobicContact CE-CD2 4.28Å; M1447-Y1452 HydrophobicContact CE-CE2 3.52Å | ||
| 1448 | H | 82.1 | Confident | 78.3 | Confident | 135 Ų | 135 | 81.6 Ų | 81.6 | 63% | 0.625 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32.8 | -177 | -91.8 | -76.9 | 0 | 0 | 0 | 114.1 | K1444 S1445 | K1444-H1448 PolarHBondContact O-N 2.86Å; S1445-H1448 PolarHBondContact O-CD2 3.48Å; S1445-H1448 VanDerWaalsContact O-CD2 3.3Å |
| 1449 | D | 78.2 | Confident | 75.9 | Confident | 137 Ų | 137 | 82.3 Ų | 82.3 | 73% | 0.733 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 8 | -173.4 | -61.1 | -39.2 | 0 | 0 | 0 | 114.8 | M1447 Y1452 | M1447-D1449 PolarHBondContact O-N 3.31Å; D1449-Y1452 HydrophobicContact CB-CE1 4.13Å |
| 1450 | A | 78.5 | Confident | 73.2 | Confident | 10 Ų | 10 | 91.4 Ų | 91.4 | 8% | 0.083 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 140.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y1415 M1447 | Y1415-A1450 HydrophobicContact CD1-CB 4.04Å; Y1415-A1450 HydrophobicContact CE1-CB 3.79Å; Y1415-A1450 WeakPolarHBondContact O-CB 3.45Å; M1447-A1450 PolarHBondContact O-N 3.29Å |
| 1451 | P | 80.2 | Confident | 72.4 | Confident | 39 Ų | 39 | 96 Ų | 96 | 25% | 0.253 | 48% | 0.484 | S | S | . | . | S | Bend | cis | -89.5 | 142.1 | 14.5 | 33.5 | -37 | 0 | 0 | 0 | 115.4 | G1416 C1417 | G1416-P1451 CarbonylContact O-C 3.48Å; G1416-P1451 VanDerWaalsContact O-CA 3.27Å; G1416-P1451 WeakPolarHBondContact O-CA 3.36Å; C1417-P1451 VanDerWaalsContact C-CB 3.47Å; C1417-P1451 WeakPolarHBondContact O-CB 3.49Å |
| 1452 | Y | 78.9 | Confident | 71.5 | Confident | 65 Ų | 65 | 96.6 Ų | 96.6 | 26% | 0.255 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 137.7 | -178.2 | -61.6 | -57.4 | 0 | 0 | 0 | 112.9 | G1416 M1447 D1449 H1454 C1455 | G1416-Y1452 PolarHBondContact O-N 3.13Å; M1447-Y1452 HydrophobicContact CE-CD2 4.28Å; M1447-Y1452 HydrophobicContact CE-CE2 3.52Å; D1449-Y1452 HydrophobicContact CB-CE1 4.13Å; Y1452-H1454 VanDerWaalsContact C-N 3.32Å; Y1452-H1454 WeakPolarHBondContact CB-CE1 3.41Å; Y1452-H1454 AromaticContact CG-CE1 3.67Å; Y1452-H1454 PolarHBondContact O-N 3.37Å; Y1452-C1455 WeakPolarHBondContact O-CA 3.36Å; Y1452-C1455 WeakPolarHBondContact O-CB 3.3Å; Y1452-C1455 PolarHBondContact O-N 3.15Å |
| 1453 | P | 71 | Confident | 70.5 | Confident | 109 Ų | 109 | 98.9 Ų | 98.9 | 71% | 0.708 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -58.1 | -39.1 | -179.9 | -25.2 | 32.8 | 0 | 0 | 0 | 114.1 | C1455 R1456 | P1453-C1455 PolarHBondContact O-N 2.92Å; P1453-R1456 PolarHBondContact O-N 3.25Å; P1453-R1456 VanDerWaalsContact O-N 3.12Å |
| 1454 | H | 72.4 | Confident | 69.4 | Low | 138 Ų | 138 | 103.7 Ų | 103.7 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -69.7 | -13.2 | 178.2 | 65.8 | -93.1 | 0 | 0 | 0 | 113 | R1358 Y1452 | R1358-H1454 PolarHBondContact NH1-O 2.83Å; Y1452-H1454 VanDerWaalsContact C-N 3.32Å; Y1452-H1454 WeakPolarHBondContact CB-CE1 3.41Å; Y1452-H1454 AromaticContact CG-CE1 3.67Å; Y1452-H1454 PolarHBondContact O-N 3.37Å |
| 1455 | C | 63.9 | Low | 68.1 | Low | 12 Ų | 12 | 105.1 Ų | 105.1 | 8% | 0.081 | 54% | 0.535 | C | S | . | . | G | 310 helix | trans | -88.9 | -8.7 | 174 | -67.7 | 0 | 0 | 0 | 0 | 113 | R1358 Y1452 P1453 | R1358-C1455 WeakPolarHBondContact CD-O 3.49Å; R1358-C1455 WeakPolarHBondContact CG-O 3.43Å; Y1452-C1455 WeakPolarHBondContact O-CA 3.36Å; Y1452-C1455 WeakPolarHBondContact O-CB 3.3Å; Y1452-C1455 PolarHBondContact O-N 3.15Å; P1453-C1455 PolarHBondContact O-N 2.92Å |
| 1456 | R | 57.8 | Low | 66.7 | Low | 162 Ų | 162 | 107.2 Ų | 107.2 | 61% | 0.611 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -91.2 | 131.6 | 177.9 | -65.9 | -178.8 | 177.4 | 176.7 | -2.5 | 110.8 | P1453 R1458 | P1453-R1456 PolarHBondContact O-N 3.25Å; P1453-R1456 VanDerWaalsContact O-N 3.12Å; R1456-R1458 PolarHBondContact O-N 3.33Å |
| 1457 | I | 52.9 | Low | 65.3 | Low | 92 Ų | 92 | 106.2 Ų | 106.2 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 130 | 172.6 | -46.2 | 167.6 | 0 | 0 | 0 | 108.3 | R1358 N1359 S1459 | R1358-I1457 HydrophobicContact CG-CG1 4.1Å; R1358-I1457 VanDerWaalsContact O-CD1 3.3Å; R1358-I1457 WeakPolarHBondContact O-CD1 3.41Å; N1359-I1457 VanDerWaalsContact CA-CD1 3.45Å; I1457-S1459 PolarHBondContact O-N 3.33Å |
| 1458 | R | 42.8 | Very low | 63.7 | Low | 224 Ų | 224 | 112.6 Ų | 112.6 | 85% | 0.845 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 116.8 | 166.4 | -79.7 | -177.7 | 176.4 | 175.9 | -1.3 | 108 | R1456 D1460 | R1456-R1458 PolarHBondContact O-N 3.33Å; R1458-D1460 VanDerWaalsContact C-N 3.34Å; R1458-D1460 PolarHBondContact O-N 3.14Å |
| 1459 | S | 38.2 | Very low | 62.1 | Low | 117 Ų | 117 | 110.8 Ų | 110.8 | 82% | 0.818 | 56% | 0.558 | S | S | * | * | trans | -70.6 | 92.5 | 169.1 | 54.7 | 0 | 0 | 0 | 0 | 108.7 | I1457 | I1457-S1459 PolarHBondContact O-N 3.33Š| ||
| 1460 | D | 30.9 | Very low | 60.7 | Low | 224 Ų | 224 | 108.4 Ų | 108.4 | 100% | 1.198 | 54% | 0.542 | S | S | * | . | trans | -108.9 | 0 | 156.5 | -79 | -29.4 | 0 | 0 | 0 | 108.7 | R1458 | R1458-D1460 VanDerWaalsContact C-N 3.34Å; R1458-D1460 PolarHBondContact O-N 3.14Å |
Retrieved 1,460 of 1,460 residues in 2170.1 ms
(Link to these results)