| 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 | 45.8 | Very low | 45 | Very low | 202 Ų | 202 | 127.3 Ų | 127.3 | 100% | 0.995 | 66% | 0.664 | S | S | * | * | 0 | -31.9 | 0 | -80.6 | -151.2 | -113 | 0 | 0 | 114.4 | V4 H5 | M1-V4 PolarHBondContact O-N 2.81Å; M1-H5 PolarHBondContact O-N 2.94Å | |||
| 2 | L | 41.8 | Very low | 44.4 | Very low | 146 Ų | 146 | 122.8 Ų | 122.8 | 76% | 0.764 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.2 | -32.1 | 175.5 | -102.5 | 99 | 0 | 0 | 0 | 114.8 | V4 H5 L6 | L2-V4 VanDerWaalsContact C-N 3.31Å; L2-V4 PolarHBondContact O-N 3.1Å; L2-H5 PolarHBondContact O-N 3.46Å; L2-L6 PolarHBondContact O-N 3.23Å; L2-L6 VanDerWaalsContact O-N 3.08Å |
| 3 | A | 47.8 | Very low | 44.2 | Very low | 73 Ų | 73 | 127.3 Ų | 127.3 | 60% | 0.603 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.7 | -29.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | V7 | A3-V7 WeakPolarHBondContact O-CB 3.5Å; A3-V7 WeakPolarHBondContact O-CG2 3.33Å; A3-V7 PolarHBondContact O-N 3.18Å |
| 4 | V | 50.2 | Low | 44.5 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 64% | 0.642 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -78.1 | -33 | 180 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | M1 L2 A8 | M1-V4 PolarHBondContact O-N 2.81Å; L2-V4 VanDerWaalsContact C-N 3.31Å; L2-V4 PolarHBondContact O-N 3.1Å; V4-A8 WeakPolarHBondContact O-CB 3.02Å; V4-A8 PolarHBondContact O-N 3.01Å |
| 5 | H | 47.3 | Very low | 45.2 | Very low | 143 Ų | 143 | 132 Ų | 132 | 66% | 0.662 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.4 | -33.3 | 173.3 | -85.9 | -85.7 | 0 | 0 | 0 | 113.3 | M1 L2 A8 F9 | M1-H5 PolarHBondContact O-N 2.94Å; L2-H5 PolarHBondContact O-N 3.46Å; H5-A8 PolarHBondContact O-N 2.94Å; H5-F9 VanDerWaalsContact O-CB 3.3Å; H5-F9 WeakPolarHBondContact O-CB 3.49Å; H5-F9 PolarHBondContact O-N 3.31Å |
| 6 | L | 44.6 | Very low | 46.6 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 55% | 0.55 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -72.9 | -35.9 | 174.7 | -121.4 | 125.8 | 0 | 0 | 0 | 112 | L2 F9 F10 | L2-L6 PolarHBondContact O-N 3.23Å; L2-L6 VanDerWaalsContact O-N 3.08Å; L6-F9 PolarHBondContact O-N 3.16Å; L6-F10 HydrophobicContact CD2-CD2 4.34Å; L6-F10 HydrophobicContact CD2-CE2 4.33Å; L6-F10 WeakPolarHBondContact O-CB 3.33Å; L6-F10 PolarHBondContact O-N 3.13Å |
| 7 | V | 48.6 | Very low | 48.8 | Very low | 81 Ų | 81 | 125.1 Ų | 125.1 | 49% | 0.491 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.2 | -39.8 | 171.3 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | A3 F9 F10 F11 | A3-V7 WeakPolarHBondContact O-CB 3.5Å; A3-V7 WeakPolarHBondContact O-CG2 3.33Å; A3-V7 PolarHBondContact O-N 3.18Å; V7-F9 PolarHBondContact O-N 3.07Å; V7-F10 PolarHBondContact O-N 2.94Å; V7-F11 HydrophobicContact CG1-CD2 3.56Å; V7-F11 HydrophobicContact CG1-CE2 3.79Å; V7-F11 VanDerWaalsContact O-CB 3.32Å; V7-F11 WeakPolarHBondContact O-CB 3.48Å; V7-F11 VanDerWaalsContact O-CD2 3.29Å; V7-F11 WeakPolarHBondContact O-CD2 3.26Å; V7-F11 PolarHBondContact O-N 3.36Å |
| 8 | A | 43.9 | Very low | 50.9 | Low | 54 Ų | 54 | 119.5 Ų | 119.5 | 45% | 0.446 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.5 | -33.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V4 H5 S12 | V4-A8 WeakPolarHBondContact O-CB 3.02Å; V4-A8 PolarHBondContact O-N 3.01Å; H5-A8 PolarHBondContact O-N 2.94Å; A8-S12 VanDerWaalsContact O-CB 3.23Å; A8-S12 WeakPolarHBondContact O-CB 3.48Å; A8-S12 PolarHBondContact O-N 2.89Å; A8-S12 PolarHBondContact O-OG 2.95Å |
| 9 | F | 40.8 | Very low | 53 | Low | 165 Ų | 165 | 115 Ų | 115 | 72% | 0.724 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -75 | -30.5 | 174.4 | -157.4 | -92.9 | 0 | 0 | 0 | 112.4 | H5 L6 V7 S12 | H5-F9 VanDerWaalsContact O-CB 3.3Å; H5-F9 WeakPolarHBondContact O-CB 3.49Å; H5-F9 PolarHBondContact O-N 3.31Å; L6-F9 PolarHBondContact O-N 3.16Å; V7-F9 PolarHBondContact O-N 3.07Å; F9-S12 WeakPolarHBondContact CA-OG 3.31Å; F9-S12 PolarHBondContact O-OG 3.48Å |
| 10 | F | 42.1 | Very low | 54.9 | Low | 156 Ų | 156 | 115.6 Ų | 115.6 | 68% | 0.684 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.9 | -33.9 | 170.8 | -101.2 | -91.6 | 0 | 0 | 0 | 112.9 | L6 V7 | L6-F10 HydrophobicContact CD2-CD2 4.34Å; L6-F10 HydrophobicContact CD2-CE2 4.33Å; L6-F10 WeakPolarHBondContact O-CB 3.33Å; L6-F10 PolarHBondContact O-N 3.13Å; V7-F10 PolarHBondContact O-N 2.94Å |
| 11 | F | 42.3 | Very low | 56.6 | Low | 169 Ų | 169 | 113 Ų | 113 | 74% | 0.741 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -83.3 | -10.6 | 175.4 | -87.1 | -90.2 | 0 | 0 | 0 | 113.7 | V7 | V7-F11 HydrophobicContact CG1-CD2 3.56Å; V7-F11 HydrophobicContact CG1-CE2 3.79Å; V7-F11 VanDerWaalsContact O-CB 3.32Å; V7-F11 WeakPolarHBondContact O-CB 3.48Å; V7-F11 VanDerWaalsContact O-CD2 3.29Å; V7-F11 WeakPolarHBondContact O-CD2 3.26Å; V7-F11 PolarHBondContact O-N 3.36Å |
| 12 | S | 38 | Very low | 59 | Low | 73 Ų | 73 | 103.4 Ų | 103.4 | 51% | 0.51 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 4.3 | 171.3 | 69.8 | 0 | 0 | 0 | 0 | 114.2 | A8 F9 L14 | A8-S12 VanDerWaalsContact O-CB 3.23Å; A8-S12 WeakPolarHBondContact O-CB 3.48Å; A8-S12 PolarHBondContact O-N 2.89Å; A8-S12 PolarHBondContact O-OG 2.95Å; F9-S12 WeakPolarHBondContact CA-OG 3.31Å; F9-S12 PolarHBondContact O-OG 3.48Å; S12-L14 PolarHBondContact O-N 3.45Å |
| 13 | K | 40.9 | Very low | 61.6 | Low | 182 Ų | 182 | 98.4 Ų | 98.4 | 79% | 0.791 | 50% | 0.504 | S | S | * | . | trans | -70.1 | 70 | 147 | -92.8 | -175 | 174.7 | 179 | 0 | 107.2 | Q15 | K13-Q15 PolarHBondContact O-N 2.95Š| ||
| 14 | L | 48.6 | Very low | 63.8 | Low | 154 Ų | 154 | 103.1 Ų | 103.1 | 81% | 0.806 | 51% | 0.506 | S | S | * | . | trans | -50.2 | 111.2 | 156.8 | -88.3 | 142.4 | 0 | 0 | 0 | 105.1 | S12 E16 | S12-L14 PolarHBondContact O-N 3.45Å; L14-E16 PolarHBondContact O-N 3.45Å | ||
| 15 | Q | 55.9 | Low | 66 | Low | 171 Ų | 171 | 100.9 Ų | 100.9 | 80% | 0.799 | 49% | 0.488 | S | S | * | . | trans | -48.8 | 115.6 | 166.8 | -85 | -177.7 | -48.1 | 0 | 0 | 105.7 | K13 D17 | K13-Q15 PolarHBondContact O-N 2.95Å; Q15-D17 PolarHBondContact O-N 2.9Å | ||
| 16 | E | 67 | Low | 68.4 | Low | 76 Ų | 76 | 94.3 Ų | 94.3 | 36% | 0.355 | 46% | 0.458 | S | S | . | . | trans | -57.1 | 126.6 | -177.9 | -175.5 | -173.8 | -177.1 | 0 | 0 | 108.1 | L14 P18 K20 K21 R24 | L14-E16 PolarHBondContact O-N 3.45Å; E16-P18 VanDerWaalsContact O-N 3.17Å; E16-K20 HydrophobicContact CG-CB 4.42Å; E16-K21 HydrophobicContact CG-CB 4.5Å; E16-R24 IonicContact OE1-CZ 2.93Å; E16-R24 IonicContact OE1-NE 2.78Å; E16-R24 PolarHBondContact OE1-NE 3.19Å; E16-R24 IonicContact OE1-NH2 3.4Å; E16-R24 PolarHBondContact OE1-NH2 3.34Å; E16-R24 IonicContact OE2-CZ 3.94Å; E16-R24 IonicContact OE2-NH2 3.76Å; E16-R24 PolarHBondContact OE2-NH2 2.81Å | ||
| 17 | D | 84.7 | Confident | 70.9 | Confident | 71 Ų | 71 | 95.7 Ų | 95.7 | 38% | 0.38 | 46% | 0.461 | S | S | . | . | trans | -44.4 | 121.8 | 174.9 | 177.7 | -15 | 0 | 0 | 0 | 109.7 | Q15 T19 K20 K21 | Q15-D17 PolarHBondContact O-N 2.9Å; D17-T19 PolarHBondContact O-N 3.06Å; D17-T19 PolarHBondContact OD1-N 2.82Å; D17-T19 PolarHBondContact OD1-OG1 3Å; D17-T19 PolarHBondContact OD2-OG1 3.29Å; D17-K20 HydrophobicContact CB-CB 4.3Å; D17-K20 HydrophobicContact CB-CD 4.07Å; D17-K20 HydrophobicContact CB-CG 4.02Å; D17-K20 PolarHBondContact O-N 3.43Å; D17-K21 PolarHBondContact O-N 2.92Å | ||
| 18 | P | 85.5 | Confident | 73.1 | Confident | 24 Ų | 24 | 95 Ų | 95 | 16% | 0.156 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -51.2 | -32.1 | -177 | -27.7 | 33.7 | 0 | 0 | 0 | 113.1 | E16 V22 D370 V373 A374 | E16-P18 VanDerWaalsContact O-N 3.17Å; P18-V22 VanDerWaalsContact O-CG2 3.31Å; P18-V22 WeakPolarHBondContact O-CG2 3.48Å; P18-V22 PolarHBondContact O-N 3.37Å; P18-D370 HydrophobicContact CB-CB 4.48Å; P18-D370 HydrophobicContact CG-CB 3.72Å; P18-V373 HydrophobicContact CB-CB 4.5Å; P18-V373 HydrophobicContact CB-CG1 4.26Å; P18-A374 HydrophobicContact CB-CB 4.16Å |
| 19 | T | 91.2 | Very high | 75.7 | Confident | 34 Ų | 34 | 92.6 Ų | 92.6 | 21% | 0.209 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -71.1 | -39.9 | 178.7 | 64.7 | 0 | 0 | 0 | 0 | 112.9 | D17 K21 V22 D23 V373 H377 | D17-T19 PolarHBondContact O-N 3.06Å; D17-T19 PolarHBondContact OD1-N 2.82Å; D17-T19 PolarHBondContact OD1-OG1 3Å; D17-T19 PolarHBondContact OD2-OG1 3.29Å; T19-K21 VanDerWaalsContact C-N 3.34Å; T19-K21 PolarHBondContact O-N 3.46Å; T19-V22 PolarHBondContact O-N 3.06Å; T19-D23 PolarHBondContact O-N 3.13Å; T19-V373 HydrophobicContact CG2-CG1 3.72Å; T19-H377 HydrophobicContact CG2-CB 4.3Å; T19-H377 PolarHBondContact O-CD2 3.44Å |
| 20 | K | 91.4 | Very high | 78.4 | Confident | 126 Ų | 126 | 89.5 Ų | 89.5 | 55% | 0.548 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.4 | -37.4 | 177.1 | -68.4 | -176.6 | -176 | 175.4 | 0 | 111.8 | E16 D17 D23 R24 | E16-K20 HydrophobicContact CG-CB 4.42Å; D17-K20 HydrophobicContact CB-CB 4.3Å; D17-K20 HydrophobicContact CB-CD 4.07Å; D17-K20 HydrophobicContact CB-CG 4.02Å; D17-K20 PolarHBondContact O-N 3.43Å; K20-D23 PolarHBondContact O-N 3.31Å; K20-R24 WeakPolarHBondContact O-CG 3.47Å; K20-R24 PolarHBondContact O-N 2.95Å |
| 21 | K | 90.8 | Very high | 81 | Confident | 62 Ų | 62 | 82.7 Ų | 82.7 | 27% | 0.27 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 174.9 | -172.5 | -176.3 | -177.8 | -172.2 | 0 | 111 | E16 D17 T19 R24 F25 L322 | E16-K21 HydrophobicContact CG-CB 4.5Å; D17-K21 PolarHBondContact O-N 2.92Å; T19-K21 VanDerWaalsContact C-N 3.34Å; T19-K21 PolarHBondContact O-N 3.46Å; K21-R24 PolarHBondContact O-N 3.29Å; K21-F25 WeakPolarHBondContact O-CB 3.41Å; K21-F25 PolarHBondContact O-N 2.86Å; K21-L322 VanDerWaalsContact CE-CD2 3.41Å; K21-L322 PolarHBondContact NZ-O 3.33Å |
| 22 | V | 96.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 175.5 | 172 | 0 | 0 | 0 | 0 | 111.2 | P18 T19 R24 F25 L26 M317 A374 H377 V378 I381 | P18-V22 VanDerWaalsContact O-CG2 3.31Å; P18-V22 WeakPolarHBondContact O-CG2 3.48Å; P18-V22 PolarHBondContact O-N 3.37Å; T19-V22 PolarHBondContact O-N 3.06Å; V22-R24 VanDerWaalsContact C-N 3.34Å; V22-R24 PolarHBondContact O-N 3.4Å; V22-F25 PolarHBondContact O-N 2.81Å; V22-F25 VanDerWaalsContact O-N 3.15Å; V22-L26 HydrophobicContact CG1-CD1 3.98Å; V22-L26 HydrophobicContact CG1-CG 4.47Å; V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 PolarHBondContact O-N 3.35Å; V22-M317 HydrophobicContact CG2-CE 3.86Å; V22-M317 HydrophobicContact CG2-SD 4.44Å; V22-A374 HydrophobicContact CG2-CB 3.79Å; V22-H377 HydrophobicContact CG1-CB 4.37Å; V22-V378 HydrophobicContact CG1-CG2 3.66Å; V22-V378 HydrophobicContact CG2-CG2 4.17Å; V22-I381 HydrophobicContact CG1-CD1 3.82Å |
| 23 | D | 95.3 | Very high | 86.3 | Confident | 41 Ų | 41 | 78.3 Ų | 78.3 | 22% | 0.219 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60 | -41.6 | 177.3 | -81.5 | -12.1 | 0 | 0 | 0 | 113 | T19 K20 L26 H27 R30 H377 I381 | T19-D23 PolarHBondContact O-N 3.13Å; K20-D23 PolarHBondContact O-N 3.31Å; D23-L26 CarbonylContact O-C 3.3Å; D23-H27 WeakPolarHBondContact O-CA 3.46Å; D23-H27 PolarHBondContact O-N 3.12Å; D23-R30 IonicContact OD1-CZ 2.7Å; D23-R30 IonicContact OD1-NE 3.99Å; D23-R30 IonicContact OD1-NH1 3.25Å; D23-R30 PolarHBondContact OD1-NH1 3.45Å; D23-R30 IonicContact OD2-CZ 3.36Å; D23-R30 IonicContact OD2-NH1 2.91Å; D23-R30 PolarHBondContact OD2-NH1 3.18Å; D23-H377 IonicContact OD1-CD2 2.77Å; D23-H377 IonicContact OD1-CE1 3.48Å; D23-H377 IonicContact OD1-NE2 3.77Å; D23-H377 PolarHBondContact OD1-NE2 3.32Å; D23-H377 IonicContact OD2-NE2 3.29Å; D23-I381 WeakPolarHBondContact OD1-CD1 3.37Å |
| 24 | R | 94.6 | Very high | 89 | Confident | 172 Ų | 172 | 76.5 Ų | 76.5 | 65% | 0.649 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.9 | -41.5 | 174.6 | -67.6 | -167 | -63.4 | 158.7 | 7.9 | 111.3 | E16 K20 K21 V22 | E16-R24 IonicContact OE1-CZ 2.93Å; E16-R24 IonicContact OE1-NE 2.78Å; E16-R24 PolarHBondContact OE1-NE 3.19Å; E16-R24 IonicContact OE1-NH2 3.4Å; E16-R24 PolarHBondContact OE1-NH2 3.34Å; E16-R24 IonicContact OE2-CZ 3.94Å; E16-R24 IonicContact OE2-NH2 3.76Å; E16-R24 PolarHBondContact OE2-NH2 2.81Å; K20-R24 WeakPolarHBondContact O-CG 3.47Å; K20-R24 PolarHBondContact O-N 2.95Å; K21-R24 PolarHBondContact O-N 3.29Å; V22-R24 VanDerWaalsContact C-N 3.34Å; V22-R24 PolarHBondContact O-N 3.4Å |
| 25 | F | 97.1 | Very high | 91.4 | Very high | 60 Ų | 60 | 72.5 Ų | 72.5 | 26% | 0.263 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 179.9 | -170.4 | -99 | 0 | 0 | 0 | 112.9 | K21 V22 F281 V313 K316 M317 L320 L322 | K21-F25 WeakPolarHBondContact O-CB 3.41Å; K21-F25 PolarHBondContact O-N 2.86Å; V22-F25 PolarHBondContact O-N 2.81Å; V22-F25 VanDerWaalsContact O-N 3.15Å; F25-F281 HydrophobicContact CE1-CE2 4.36Å; F25-F281 AromaticContact CE1-CZ 3.74Å; F25-F281 HydrophobicContact CE1-CZ 3.74Å; F25-F281 HydrophobicContact CZ-CZ 4.17Å; F25-V313 HydrophobicContact CD1-CG1 4.47Å; F25-V313 HydrophobicContact CE1-CG1 4.23Å; F25-K316 HydrophobicContact CZ-CB 4.44Å; F25-K316 HydrophobicContact CZ-CD 4.24Å; F25-K316 HydrophobicContact CZ-CG 4.15Å; F25-M317 HydrophobicContact CD1-CG 3.61Å; F25-M317 HydrophobicContact CD1-SD 3.8Å; F25-M317 HydrophobicContact CD2-CG 4.49Å; F25-M317 HydrophobicContact CE1-CG 3.34Å; F25-M317 HydrophobicContact CE1-SD 4.1Å; F25-M317 HydrophobicContact CE2-CG 4.28Å; F25-M317 HydrophobicContact CG-CG 4.19Å; F25-M317 HydrophobicContact CG-SD 4.38Å; F25-M317 HydrophobicContact CZ-CG 3.71Å; F25-L320 HydrophobicContact CE2-CD1 3.69Å; F25-L320 HydrophobicContact CZ-CD1 4.14Å; F25-L322 HydrophobicContact CD2-CD1 3.88Å; F25-L322 HydrophobicContact CE2-CD1 4Å |
| 26 | L | 97.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 25.6 | -178.3 | -63.6 | -178.5 | 0 | 0 | 0 | 113.2 | V22 D23 A28 M29 F281 V313 V378 I381 | V22-L26 HydrophobicContact CG1-CD1 3.98Å; V22-L26 HydrophobicContact CG1-CG 4.47Å; V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 PolarHBondContact O-N 3.35Å; D23-L26 CarbonylContact O-C 3.3Å; L26-A28 PolarHBondContact O-N 3.26Å; L26-M29 HydrophobicContact CB-CB 4.45Å; L26-M29 HydrophobicContact CD2-SD 4.07Å; L26-M29 WeakPolarHBondContact O-CB 3.41Å; L26-M29 PolarHBondContact O-N 3.38Å; L26-F281 HydrophobicContact CD2-CE2 4.01Å; L26-V313 HydrophobicContact CD1-CG1 4.05Å; L26-V313 HydrophobicContact CD2-CG1 3.8Å; L26-V313 HydrophobicContact CD2-CG2 3.94Å; L26-V313 HydrophobicContact CG-CG1 4.29Å; L26-V378 HydrophobicContact CD1-CB 4.41Å; L26-V378 HydrophobicContact CD1-CG1 4.27Å; L26-V378 HydrophobicContact CD1-CG2 4.12Å; L26-I381 HydrophobicContact CB-CD1 4.1Å; L26-I381 HydrophobicContact CB-CG2 4.07Å; L26-I381 HydrophobicContact CD1-CB 4.13Å; L26-I381 HydrophobicContact CD1-CD1 4.02Å; L26-I381 HydrophobicContact CD1-CG2 4.03Å |
| 27 | H | 95.9 | Very high | 94.9 | Very high | 135 Ų | 135 | 64.4 Ų | 64.4 | 63% | 0.625 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -53 | -41.5 | -177.5 | 176.7 | 63.1 | 0 | 0 | 0 | 112.5 | D23 M29 R30 | D23-H27 WeakPolarHBondContact O-CA 3.46Å; D23-H27 PolarHBondContact O-N 3.12Å; H27-M29 PolarHBondContact O-N 2.99Å; H27-R30 WeakPolarHBondContact O-CB 3.43Å; H27-R30 PolarHBondContact O-N 3.14Å |
| 28 | A | 95.8 | Very high | 95.6 | Very high | 67 Ų | 67 | 63.8 Ų | 63.8 | 55% | 0.554 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -64 | -21.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L26 T279 | L26-A28 PolarHBondContact O-N 3.26Å; A28-T279 HydrophobicContact CB-CG2 4.07Å |
| 29 | M | 97.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -85.8 | -8.7 | 175.5 | -68.1 | -166.1 | 174 | 0 | 0 | 113.1 | L26 H27 L31 T279 F281 V313 I381 V382 R385 | L26-M29 HydrophobicContact CB-CB 4.45Å; L26-M29 HydrophobicContact CD2-SD 4.07Å; L26-M29 WeakPolarHBondContact O-CB 3.41Å; L26-M29 PolarHBondContact O-N 3.38Å; H27-M29 PolarHBondContact O-N 2.99Å; M29-L31 PolarHBondContact O-N 3.12Å; M29-T279 HydrophobicContact CE-CG2 4.09Å; M29-T279 VanDerWaalsContact CE-OG1 3.29Å; M29-T279 WeakPolarHBondContact CE-OG1 3.44Å; M29-T279 HydrophobicContact CG-CG2 3.91Å; M29-F281 HydrophobicContact CE-CB 3.94Å; M29-F281 HydrophobicContact CE-CD2 3.54Å; M29-F281 HydrophobicContact CE-CE2 4.42Å; M29-F281 HydrophobicContact CE-CG 4.08Å; M29-V313 HydrophobicContact CE-CG2 4.4Å; M29-I381 HydrophobicContact CB-CG2 3.72Å; M29-V382 HydrophobicContact SD-CG2 4.08Å; M29-R385 WeakPolarHBondContact O-CB 3.4Å; M29-R385 WeakPolarHBondContact O-CD 3.24Å; M29-R385 WeakPolarHBondContact O-CG 3.39Å |
| 30 | R | 97.3 | Very high | 96.5 | Very high | 99 Ų | 99 | 61.4 Ų | 61.4 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | trans | -96.3 | 81.8 | -176.8 | -64.5 | 179.5 | 61 | 101.8 | 1 | 111 | D23 H27 Q32 I381 | D23-R30 IonicContact OD1-CZ 2.7Å; D23-R30 IonicContact OD1-NE 3.99Å; D23-R30 IonicContact OD1-NH1 3.25Å; D23-R30 PolarHBondContact OD1-NH1 3.45Å; D23-R30 IonicContact OD2-CZ 3.36Å; D23-R30 IonicContact OD2-NH1 2.91Å; D23-R30 PolarHBondContact OD2-NH1 3.18Å; H27-R30 WeakPolarHBondContact O-CB 3.43Å; H27-R30 PolarHBondContact O-N 3.14Å; R30-Q32 PolarHBondContact O-NE2 3.21Å; R30-I381 HydrophobicContact CG-CD1 4.48Å; R30-I381 HydrophobicContact CG-CG2 4.11Å | ||
| 31 | L | 97 | Very high | 96.9 | Very high | 14 Ų | 14 | 58.6 Ų | 58.6 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | trans | -68.9 | 130.4 | -177.9 | -55.1 | 176.8 | 0 | 0 | 0 | 112.5 | M29 L36 I39 F277 R385 L389 | M29-L31 PolarHBondContact O-N 3.12Å; L31-L36 HydrophobicContact CB-CD2 3.81Å; L31-L36 HydrophobicContact CB-CG 4.28Å; L31-L36 HydrophobicContact CD1-CD2 3.74Å; L31-L36 HydrophobicContact CG-CD2 4.43Å; L31-I39 HydrophobicContact CD1-CD1 4.13Å; L31-F277 HydrophobicContact CD2-CD1 3.93Å; L31-R385 HydrophobicContact CD1-CG 4.08Å; L31-R385 HydrophobicContact CG-CG 4.37Å; L31-L389 HydrophobicContact CD1-CD2 3.6Å; L31-L389 HydrophobicContact CD1-CG 3.93Å | ||
| 32 | Q | 96.3 | Very high | 97.2 | Very high | 101 Ų | 101 | 59 Ų | 59 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | trans | -85.8 | 164.1 | 171.9 | -55.2 | -53.5 | -48 | 0 | 0 | 111.7 | R30 E34 Q35 L36 | R30-Q32 PolarHBondContact O-NE2 3.21Å; Q32-E34 VanDerWaalsContact C-N 3.28Å; Q32-E34 WeakPolarHBondContact CB-OE2 3.45Å; Q32-E34 PolarHBondContact O-N 3.22Å; Q32-Q35 WeakPolarHBondContact O-CB 3.33Å; Q32-Q35 PolarHBondContact O-N 3.36Å; Q32-Q35 VanDerWaalsContact O-N 3.08Å; Q32-L36 WeakPolarHBondContact O-CG 3.24Å; Q32-L36 PolarHBondContact O-N 2.81Å | ||
| 33 | D | 96.4 | Very high | 97.4 | Very high | 49 Ų | 49 | 59 Ų | 59 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.2 | -37.9 | -177.9 | -79.1 | -0.5 | 0 | 0 | 0 | 112.4 | Q35 L36 V37 R437 L438 | D33-Q35 VanDerWaalsContact C-N 3.29Å; D33-Q35 PolarHBondContact O-N 3.08Å; D33-L36 PolarHBondContact O-N 3.17Å; D33-L36 VanDerWaalsContact O-N 3.17Å; D33-V37 WeakPolarHBondContact O-CG2 3.34Å; D33-V37 PolarHBondContact O-N 3.23Å; D33-R437 VanDerWaalsContact CG-NE 3.34Å; D33-R437 IonicContact OD1-CZ 3.91Å; D33-R437 VanDerWaalsContact OD1-CZ 3.27Å; D33-R437 IonicContact OD1-NE 3.93Å; D33-R437 PolarHBondContact OD1-NE 3.4Å; D33-R437 VanDerWaalsContact OD1-NE 3.13Å; D33-R437 IonicContact OD1-NH2 2.87Å; D33-R437 PolarHBondContact OD1-NH2 2.78Å; D33-R437 VanDerWaalsContact OD2-CD 3.31Å; D33-R437 WeakPolarHBondContact OD2-CD 3.24Å; D33-R437 IonicContact OD2-CZ 3.49Å; D33-R437 IonicContact OD2-NE 2.62Å; D33-R437 PolarHBondContact OD2-NE 3.03Å; D33-R437 IonicContact OD2-NH2 3.34Å; D33-L438 HydrophobicContact CB-CD2 4.23Å |
| 34 | E | 97.5 | Very high | 97.5 | Very high | 144 Ų | 144 | 58.1 Ų | 58.1 | 67% | 0.673 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.5 | -39.7 | 176.7 | -61.6 | 75.2 | -162.3 | 0 | 0 | 111.5 | Q32 V37 D38 | Q32-E34 VanDerWaalsContact C-N 3.28Å; Q32-E34 WeakPolarHBondContact CB-OE2 3.45Å; Q32-E34 PolarHBondContact O-N 3.22Å; E34-V37 PolarHBondContact O-N 3.06Å; E34-D38 PolarHBondContact O-N 2.89Å |
| 35 | Q | 98.3 | Very high | 97.6 | Very high | 70 Ų | 70 | 52.6 Ų | 52.6 | 33% | 0.327 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69 | -37.6 | 176.4 | -64.1 | 176.8 | -65.3 | 0 | 0 | 111.4 | Q32 D33 V37 D38 I39 F277 | Q32-Q35 WeakPolarHBondContact O-CB 3.33Å; Q32-Q35 PolarHBondContact O-N 3.36Å; Q32-Q35 VanDerWaalsContact O-N 3.08Å; D33-Q35 VanDerWaalsContact C-N 3.29Å; D33-Q35 PolarHBondContact O-N 3.08Å; Q35-V37 VanDerWaalsContact C-N 3.35Å; Q35-D38 PolarHBondContact O-N 2.75Å; Q35-I39 VanDerWaalsContact O-CG1 3.24Å; Q35-I39 WeakPolarHBondContact O-CG1 3.31Å; Q35-I39 PolarHBondContact O-N 3.18Å; Q35-F277 HydrophobicContact CB-CE1 3.88Å; Q35-F277 HydrophobicContact CG-CE1 4.13Å |
| 36 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.5 | -36.5 | 176.1 | -62 | 178.8 | 0 | 0 | 0 | 112 | L31 Q32 D33 S40 N388 A392 V434 L438 | L31-L36 HydrophobicContact CB-CD2 3.81Å; L31-L36 HydrophobicContact CB-CG 4.28Å; L31-L36 HydrophobicContact CD1-CD2 3.74Å; L31-L36 HydrophobicContact CG-CD2 4.43Å; Q32-L36 WeakPolarHBondContact O-CG 3.24Å; Q32-L36 PolarHBondContact O-N 2.81Å; D33-L36 PolarHBondContact O-N 3.17Å; D33-L36 VanDerWaalsContact O-N 3.17Å; L36-S40 VanDerWaalsContact O-CB 3.26Å; L36-S40 WeakPolarHBondContact O-CB 3.26Å; L36-S40 PolarHBondContact O-N 3.22Å; L36-N388 HydrophobicContact CD1-CB 3.95Å; L36-N388 HydrophobicContact CD2-CB 3.8Å; L36-A392 HydrophobicContact CB-CB 4.38Å; L36-A392 HydrophobicContact CD2-CB 4.38Å; L36-A392 WeakPolarHBondContact O-CB 3.5Å; L36-V434 HydrophobicContact CD1-CG1 3.87Å; L36-L438 HydrophobicContact CB-CD1 3.95Å; L36-L438 HydrophobicContact CD1-CD1 4.43Å |
| 37 | V | 98.1 | Very high | 97.7 | Very high | 76 Ų | 76 | 50.4 Ų | 50.4 | 46% | 0.461 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 173.2 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | D33 E34 Q35 S40 S41 L438 | D33-V37 WeakPolarHBondContact O-CG2 3.34Å; D33-V37 PolarHBondContact O-N 3.23Å; E34-V37 PolarHBondContact O-N 3.06Å; Q35-V37 VanDerWaalsContact C-N 3.35Å; V37-S40 PolarHBondContact O-N 3.3Å; V37-S41 WeakPolarHBondContact O-CB 3.36Å; V37-S41 PolarHBondContact O-N 2.8Å; V37-S41 PolarHBondContact O-OG 2.86Å; V37-L438 HydrophobicContact CG2-CD2 4Å |
| 38 | D | 98.5 | Very high | 97.7 | Very high | 58 Ų | 58 | 49 Ų | 49 | 31% | 0.31 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.5 | -53.4 | 172.9 | 178.3 | 20.6 | 0 | 0 | 0 | 111.1 | E34 Q35 S40 S41 R42 | E34-D38 PolarHBondContact O-N 2.89Å; Q35-D38 PolarHBondContact O-N 2.75Å; D38-S40 VanDerWaalsContact C-N 3.26Å; D38-S40 PolarHBondContact O-N 3.17Å; D38-S41 WeakPolarHBondContact O-CA 3.36Å; D38-S41 WeakPolarHBondContact O-CB 3.17Å; D38-S41 PolarHBondContact O-N 2.98Å; D38-R42 WeakPolarHBondContact O-CG 3.44Å; D38-R42 PolarHBondContact O-N 2.96Å; D38-R42 IonicContact OD1-CZ 3.78Å; D38-R42 IonicContact OD1-NE 3.37Å; D38-R42 PolarHBondContact OD1-NE 2.58Å; D38-R42 IonicContact OD1-NH2 2.73Å; D38-R42 IonicContact OD2-CZ 2.68Å; D38-R42 IonicContact OD2-NE 2.87Å; D38-R42 PolarHBondContact OD2-NE 2.64Å; D38-R42 IonicContact OD2-NH2 2.68Å; D38-R42 PolarHBondContact OD2-NH2 3.12Å |
| 39 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.5 | -43.2 | 177.1 | -67.9 | 166.7 | 0 | 0 | 0 | 111.1 | L31 Q35 S41 R42 F43 F268 L274 F277 L389 A392 | L31-I39 HydrophobicContact CD1-CD1 4.13Å; Q35-I39 VanDerWaalsContact O-CG1 3.24Å; Q35-I39 WeakPolarHBondContact O-CG1 3.31Å; Q35-I39 PolarHBondContact O-N 3.18Å; I39-S41 VanDerWaalsContact C-N 3.34Å; I39-S41 PolarHBondContact O-N 2.97Å; I39-R42 PolarHBondContact O-N 3.37Å; I39-F43 WeakPolarHBondContact O-CB 3.43Å; I39-F43 PolarHBondContact O-N 3.37Å; I39-F268 HydrophobicContact CG2-CE1 3.95Å; I39-L274 HydrophobicContact CG1-CD2 4.38Å; I39-L274 HydrophobicContact CG2-CD2 4.32Å; I39-F277 HydrophobicContact CD1-CD1 3.94Å; I39-F277 HydrophobicContact CD1-CD2 4.01Å; I39-F277 HydrophobicContact CD1-CE1 4.02Å; I39-F277 HydrophobicContact CD1-CE2 4.08Å; I39-F277 HydrophobicContact CD1-CG 3.93Å; I39-F277 HydrophobicContact CD1-CZ 4.09Å; I39-F277 HydrophobicContact CG1-CD1 4.44Å; I39-F277 HydrophobicContact CG1-CD2 3.8Å; I39-F277 HydrophobicContact CG1-CE1 4.2Å; I39-F277 HydrophobicContact CG1-CE2 3.52Å; I39-F277 HydrophobicContact CG1-CG 4.25Å; I39-F277 HydrophobicContact CG1-CZ 3.74Å; I39-L389 HydrophobicContact CD1-CD2 3.8Å; I39-A392 HydrophobicContact CB-CB 4.21Å; I39-A392 HydrophobicContact CG2-CB 3.89Å |
| 40 | S | 98.5 | Very high | 97.6 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 176.3 | -164.4 | 0 | 0 | 0 | 0 | 112.1 | L36 V37 D38 F43 L44 A392 V395 A396 | L36-S40 VanDerWaalsContact O-CB 3.26Å; L36-S40 WeakPolarHBondContact O-CB 3.26Å; L36-S40 PolarHBondContact O-N 3.22Å; V37-S40 PolarHBondContact O-N 3.3Å; D38-S40 VanDerWaalsContact C-N 3.26Å; D38-S40 PolarHBondContact O-N 3.17Å; S40-F43 PolarHBondContact O-N 2.99Å; S40-L44 PolarHBondContact O-N 3.43Å; S40-A392 VanDerWaalsContact CB-O 3.29Å; S40-A392 WeakPolarHBondContact CB-O 3.43Å; S40-A392 PolarHBondContact OG-O 2.95Å; S40-V395 WeakPolarHBondContact OG-CG1 3.41Å; S40-A396 VanDerWaalsContact O-CB 3.3Å; S40-A396 WeakPolarHBondContact O-CB 3.38Å; S40-A396 WeakPolarHBondContact OG-CA 3.3Å; S40-A396 WeakPolarHBondContact OG-CB 3.49Å; S40-A396 PolarHBondContact OG-N 3.48Å; S40-A396 VanDerWaalsContact OG-N 3.12Å |
| 41 | S | 98.4 | Very high | 97.6 | Very high | 68 Ų | 68 | 43.4 Ų | 43.4 | 48% | 0.476 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.2 | -41.7 | 177.8 | -58.2 | 0 | 0 | 0 | 0 | 112 | V37 D38 I39 L44 A45 | V37-S41 WeakPolarHBondContact O-CB 3.36Å; V37-S41 PolarHBondContact O-N 2.8Å; V37-S41 PolarHBondContact O-OG 2.86Å; D38-S41 WeakPolarHBondContact O-CA 3.36Å; D38-S41 WeakPolarHBondContact O-CB 3.17Å; D38-S41 PolarHBondContact O-N 2.98Å; I39-S41 VanDerWaalsContact C-N 3.34Å; I39-S41 PolarHBondContact O-N 2.97Å; S41-L44 PolarHBondContact O-N 3.11Å; S41-A45 PolarHBondContact O-N 2.99Å; S41-A45 VanDerWaalsContact O-N 3.11Å |
| 42 | R | 98.5 | Very high | 97.5 | Very high | 69 Ų | 69 | 43.9 Ų | 43.9 | 26% | 0.26 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 173.4 | -65.2 | -176.7 | -162.9 | -158.1 | 4.6 | 111.1 | D38 I39 L44 A45 E46 F268 A273 D276 | D38-R42 WeakPolarHBondContact O-CG 3.44Å; D38-R42 PolarHBondContact O-N 2.96Å; D38-R42 IonicContact OD1-CZ 3.78Å; D38-R42 IonicContact OD1-NE 3.37Å; D38-R42 PolarHBondContact OD1-NE 2.58Å; D38-R42 IonicContact OD1-NH2 2.73Å; D38-R42 IonicContact OD2-CZ 2.68Å; D38-R42 IonicContact OD2-NE 2.87Å; D38-R42 PolarHBondContact OD2-NE 2.64Å; D38-R42 IonicContact OD2-NH2 2.68Å; D38-R42 PolarHBondContact OD2-NH2 3.12Å; I39-R42 PolarHBondContact O-N 3.37Å; R42-L44 PolarHBondContact O-N 2.89Å; R42-A45 WeakPolarHBondContact O-CB 3.38Å; R42-A45 PolarHBondContact O-N 3.48Å; R42-E46 PolarHBondContact O-N 3.29Å; R42-F268 HydrophobicContact CB-CE2 4.33Å; R42-F268 HydrophobicContact CB-CZ 3.91Å; R42-A273 WeakPolarHBondContact CD-O 3.35Å; R42-A273 PolarHBondContact NH1-O 3.35Å; R42-D276 IonicContact CZ-OD2 3.69Å; R42-D276 IonicContact NH1-OD2 3.63Å; R42-D276 PolarHBondContact NH1-OD2 3.49Å; R42-D276 IonicContact NH2-OD2 2.75Å; R42-D276 PolarHBondContact NH2-OD2 2.63Å; R42-D276 VanDerWaalsContact NH2-OD2 3.17Å |
| 43 | F | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 176.5 | -170.1 | -101.3 | 0 | 0 | 0 | 112.2 | I39 S40 A45 E46 M47 V61 W265 F268 A396 V397 | I39-F43 WeakPolarHBondContact O-CB 3.43Å; I39-F43 PolarHBondContact O-N 3.37Å; S40-F43 PolarHBondContact O-N 2.99Å; F43-A45 VanDerWaalsContact C-N 3.25Å; F43-A45 PolarHBondContact O-N 3.46Å; F43-E46 PolarHBondContact O-N 3.43Å; F43-E46 VanDerWaalsContact O-N 3.17Å; F43-M47 HydrophobicContact CD1-CG 3.89Å; F43-M47 HydrophobicContact CD1-SD 3.66Å; F43-M47 HydrophobicContact CE1-CG 3.62Å; F43-M47 HydrophobicContact CE1-SD 3.49Å; F43-M47 WeakPolarHBondContact CE1-SD 3.26Å; F43-M47 HydrophobicContact CZ-CG 4.17Å; F43-M47 WeakPolarHBondContact O-CG 3.24Å; F43-M47 PolarHBondContact O-N 2.89Å; F43-V61 HydrophobicContact CD2-CG2 4.13Å; F43-V61 HydrophobicContact CE2-CG1 4.12Å; F43-V61 HydrophobicContact CE2-CG2 3.64Å; F43-V61 HydrophobicContact CZ-CG1 4.15Å; F43-V61 HydrophobicContact CZ-CG2 4.47Å; F43-W265 HydrophobicContact CE1-CE3 4.2Å; F43-W265 HydrophobicContact CE2-CB 3.47Å; F43-W265 VanDerWaalsContact CE2-CB 3.47Å; F43-W265 HydrophobicContact CZ-CB 3.42Å; F43-W265 VanDerWaalsContact CZ-CB 3.42Å; F43-W265 HydrophobicContact CZ-CD2 4.45Å; F43-W265 AromaticContact CZ-CE3 3.88Å; F43-W265 HydrophobicContact CZ-CE3 3.88Å; F43-W265 HydrophobicContact CZ-CG 4.37Å; F43-F268 HydrophobicContact CB-CD1 4.4Å; F43-F268 HydrophobicContact CB-CE1 3.84Å; F43-F268 HydrophobicContact CB-CE2 4.44Å; F43-F268 HydrophobicContact CB-CZ 3.88Å; F43-F268 HydrophobicContact CD2-CB 4.08Å; F43-F268 AromaticContact CD2-CD1 3.51Å; F43-F268 HydrophobicContact CD2-CD1 3.51Å; F43-F268 HydrophobicContact CD2-CD2 4.02Å; F43-F268 AromaticContact CD2-CE1 3.84Å; F43-F268 HydrophobicContact CD2-CE1 3.84Å; F43-F268 HydrophobicContact CD2-CE2 4.34Å; F43-F268 AromaticContact CD2-CG 3.62Å; F43-F268 HydrophobicContact CD2-CG 3.62Å; F43-F268 HydrophobicContact CD2-CZ 4.26Å; F43-F268 HydrophobicContact CE2-CB 4.12Å; F43-F268 HydrophobicContact CE2-CD1 4.28Å; F43-F268 HydrophobicContact CE2-CG 4.17Å; F43-F268 HydrophobicContact CG-CD1 4.38Å; F43-F268 HydrophobicContact CG-CE1 4.3Å; F43-A396 HydrophobicContact CB-CB 4.14Å; F43-A396 HydrophobicContact CD1-CB 3.58Å; F43-A396 HydrophobicContact CG-CB 4.32Å; F43-V397 HydrophobicContact CE1-CG2 4.1Å |
| 44 | L | 97.8 | Very high | 96.9 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 12% | 0.12 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -34.7 | 176.1 | -175.3 | 64.4 | 0 | 0 | 0 | 112.3 | S40 S41 R42 M47 K48 A396 T399 R400 | S40-L44 PolarHBondContact O-N 3.43Å; S41-L44 PolarHBondContact O-N 3.11Å; R42-L44 PolarHBondContact O-N 2.89Å; L44-M47 HydrophobicContact CD1-SD 4.36Å; L44-K48 WeakPolarHBondContact O-CG 3.32Å; L44-K48 PolarHBondContact O-N 2.9Å; L44-A396 HydrophobicContact CB-CB 4.24Å; L44-T399 HydrophobicContact CD2-CG2 4.38Å; L44-R400 HydrophobicContact CD1-CB 3.78Å; L44-R400 HydrophobicContact CD1-CG 4.43Å |
| 45 | A | 97.2 | Very high | 96.6 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 46% | 0.463 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.1 | -44.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S41 R42 F43 M47 K48 K49 | S41-A45 PolarHBondContact O-N 2.99Å; S41-A45 VanDerWaalsContact O-N 3.11Å; R42-A45 WeakPolarHBondContact O-CB 3.38Å; R42-A45 PolarHBondContact O-N 3.48Å; F43-A45 VanDerWaalsContact C-N 3.25Å; F43-A45 PolarHBondContact O-N 3.46Å; A45-M47 VanDerWaalsContact C-N 3.34Å; A45-M47 PolarHBondContact O-N 3.32Å; A45-K48 PolarHBondContact O-N 3.45Å; A45-K49 PolarHBondContact O-N 2.85Å |
| 46 | E | 97.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -36.3 | 175.5 | -78.8 | -61.6 | 121.4 | 0 | 0 | 112.6 | R42 F43 K48 K49 G50 A60 V61 F268 | R42-E46 PolarHBondContact O-N 3.29Å; F43-E46 PolarHBondContact O-N 3.43Å; F43-E46 VanDerWaalsContact O-N 3.17Å; E46-K48 PolarHBondContact O-N 2.98Å; E46-K49 WeakPolarHBondContact O-CB 3.47Å; E46-K49 PolarHBondContact O-N 3.2Å; E46-K49 WeakPolarHBondContact OE1-CD 3.42Å; E46-K49 IonicContact OE1-NZ 3.75Å; E46-K49 PolarHBondContact OE1-NZ 2.92Å; E46-K49 IonicContact OE2-NZ 3.61Å; E46-G50 PolarHBondContact O-N 2.9Å; E46-A60 PolarHBondContact OE2-N 3.15Å; E46-V61 HydrophobicContact CB-CB 4.05Å; E46-V61 HydrophobicContact CB-CG2 3.72Å; E46-V61 HydrophobicContact CG-CG2 4.45Å; E46-F268 HydrophobicContact CG-CD2 4.19Å; E46-F268 HydrophobicContact CG-CE2 4.15Å |
| 47 | M | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 172.2 | -70.1 | 174.5 | 72 | 0 | 0 | 112.1 | F43 L44 A45 K49 G50 L51 M63 Y242 A396 V397 R400 | F43-M47 HydrophobicContact CD1-CG 3.89Å; F43-M47 HydrophobicContact CD1-SD 3.66Å; F43-M47 HydrophobicContact CE1-CG 3.62Å; F43-M47 HydrophobicContact CE1-SD 3.49Å; F43-M47 WeakPolarHBondContact CE1-SD 3.26Å; F43-M47 HydrophobicContact CZ-CG 4.17Å; F43-M47 WeakPolarHBondContact O-CG 3.24Å; F43-M47 PolarHBondContact O-N 2.89Å; L44-M47 HydrophobicContact CD1-SD 4.36Å; A45-M47 VanDerWaalsContact C-N 3.34Å; A45-M47 PolarHBondContact O-N 3.32Å; M47-K49 VanDerWaalsContact C-N 3.32Å; M47-K49 PolarHBondContact O-N 3.39Å; M47-G50 PolarHBondContact O-N 3.29Å; M47-L51 WeakPolarHBondContact O-CG 3.49Å; M47-L51 PolarHBondContact O-N 2.73Å; M47-L51 VanDerWaalsContact O-N 3.15Å; M47-M63 HydrophobicContact CB-CE 3.75Å; M47-M63 HydrophobicContact CB-SD 3.98Å; M47-M63 HydrophobicContact CE-CE 3.8Å; M47-M63 HydrophobicContact CG-CE 3.95Å; M47-M63 HydrophobicContact CG-SD 3.83Å; M47-M63 WeakPolarHBondContact O-CG 3.34Å; M47-Y242 HydrophobicContact CE-CD1 4.32Å; M47-Y242 HydrophobicContact CE-CE1 3.44Å; M47-Y242 VanDerWaalsContact CE-CE1 3.44Å; M47-Y242 HydrophobicContact CE-CE2 4.41Å; M47-Y242 VanDerWaalsContact CE-CZ 3.48Å; M47-Y242 WeakPolarHBondContact CE-OH 3.39Å; M47-A396 HydrophobicContact SD-CB 4.45Å; M47-V397 HydrophobicContact CE-CG2 4.04Å; M47-V397 HydrophobicContact SD-CG2 4.15Å; M47-R400 HydrophobicContact CE-CB 4.08Å; M47-R400 HydrophobicContact CE-CG 4.03Å |
| 48 | K | 96.4 | Very high | 95.3 | Very high | 106 Ų | 106 | 46.9 Ų | 46.9 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 176.8 | -70.8 | 175.5 | -177.9 | 179.3 | 0 | 111.3 | L44 A45 E46 L51 S52 | L44-K48 WeakPolarHBondContact O-CG 3.32Å; L44-K48 PolarHBondContact O-N 2.9Å; A45-K48 PolarHBondContact O-N 3.45Å; E46-K48 PolarHBondContact O-N 2.98Å; K48-L51 PolarHBondContact O-N 2.76Å; K48-S52 PolarHBondContact O-N 2.99Å |
| 49 | K | 95.9 | Very high | 95 | Very high | 47 Ų | 47 | 44.2 Ų | 44.2 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 178.8 | -167.2 | -171.9 | 177.8 | -169.4 | 0 | 112 | A45 E46 M47 S55 L56 A58 A59 D271 | A45-K49 PolarHBondContact O-N 2.85Å; E46-K49 WeakPolarHBondContact O-CB 3.47Å; E46-K49 PolarHBondContact O-N 3.2Å; E46-K49 WeakPolarHBondContact OE1-CD 3.42Å; E46-K49 IonicContact OE1-NZ 3.75Å; E46-K49 PolarHBondContact OE1-NZ 2.92Å; E46-K49 IonicContact OE2-NZ 3.61Å; M47-K49 VanDerWaalsContact C-N 3.32Å; M47-K49 PolarHBondContact O-N 3.39Å; K49-S55 VanDerWaalsContact CA-OG 3.29Å; K49-S55 WeakPolarHBondContact CA-OG 3.33Å; K49-S55 CarbonylContact O-C 3.51Å; K49-S55 PolarHBondContact O-OG 2.93Å; K49-L56 PolarHBondContact O-N 3.47Å; K49-A58 VanDerWaalsContact CE-C 3.41Å; K49-A58 WeakPolarHBondContact CE-O 3.43Å; K49-A58 PolarHBondContact NZ-O 3.15Å; K49-A59 HydrophobicContact CB-CB 4.27Å; K49-A59 HydrophobicContact CD-CB 4.05Å; K49-A59 HydrophobicContact CG-CB 3.93Å; K49-D271 IonicContact NZ-OD2 3.67Å; K49-D271 PolarHBondContact NZ-OD2 3.5Å |
| 50 | G | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.3 | -27.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E46 M47 L56 V61 | E46-G50 PolarHBondContact O-N 2.9Å; M47-G50 PolarHBondContact O-N 3.29Å; G50-L56 WeakPolarHBondContact O-CD1 3.3Å; G50-V61 WeakPolarHBondContact CA-O 3.12Å |
| 51 | L | 96.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -79 | -20.3 | 176.9 | -75.8 | 172.6 | 0 | 0 | 0 | 113.8 | M47 K48 M63 E244 H248 I249 D250 V261 | M47-L51 WeakPolarHBondContact O-CG 3.49Å; M47-L51 PolarHBondContact O-N 2.73Å; M47-L51 VanDerWaalsContact O-N 3.15Å; K48-L51 PolarHBondContact O-N 2.76Å; L51-M63 HydrophobicContact CD1-CE 3.85Å; L51-M63 HydrophobicContact CD2-CB 3.94Å; L51-M63 HydrophobicContact CD2-CE 4.1Å; L51-M63 HydrophobicContact CG-CB 3.99Å; L51-M63 HydrophobicContact CG-CE 3.76Å; L51-M63 HydrophobicContact CG-CG 4.23Å; L51-E244 HydrophobicContact CD1-CG 4.12Å; L51-E244 HydrophobicContact CD2-CG 4.39Å; L51-H248 WeakPolarHBondContact CB-O 3.26Å; L51-I249 HydrophobicContact CD2-CG1 4.09Å; L51-I249 HydrophobicContact CD2-CG2 4.47Å; L51-D250 PolarHBondContact O-N 3.19Å; L51-V261 HydrophobicContact CD2-CG1 4.28Å; L51-V261 HydrophobicContact CD2-CG2 4.22Å |
| 52 | S | 95.1 | Very high | 94.6 | Very high | 25 Ų | 25 | 44.4 Ų | 44.4 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | trans | -91.1 | 134.3 | -176.5 | 179.9 | 0 | 0 | 0 | 0 | 112.8 | K48 E54 S55 L56 D250 | K48-S52 PolarHBondContact O-N 2.99Å; S52-E54 PolarHBondContact O-N 3.33Å; S52-E54 PolarHBondContact OG-N 2.95Å; S52-S55 PolarHBondContact O-N 3.18Å; S52-L56 WeakPolarHBondContact O-CB 3.03Å; S52-L56 PolarHBondContact O-N 3.3Å; S52-D250 VanDerWaalsContact CA-OD2 3.27Å; S52-D250 WeakPolarHBondContact CA-OD2 3.19Å; S52-D250 PolarHBondContact OG-OD2 2.95Å | ||
| 53 | A | 89.4 | Confident | 94.5 | Very high | 62 Ų | 62 | 41.1 Ų | 41.1 | 51% | 0.512 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D250 L251 | A53-D250 HydrophobicContact CB-CB 3.75Å; A53-D250 PolarHBondContact N-OD2 3.35Å; A53-L251 HydrophobicContact CB-CD2 4.35Å |
| 54 | E | 90.4 | Very high | 94.5 | Very high | 187 Ų | 187 | 41.7 Ų | 41.7 | 87% | 0.874 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -33.4 | -179.4 | -63.3 | -175.7 | 173.8 | 0 | 0 | 112.7 | S52 | S52-E54 PolarHBondContact O-N 3.33Å; S52-E54 PolarHBondContact OG-N 2.95Å |
| 55 | S | 92.1 | Very high | 94.4 | Very high | 37 Ų | 37 | 41.3 Ų | 41.3 | 26% | 0.259 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -7.2 | -170.7 | 60.8 | 0 | 0 | 0 | 0 | 115.4 | K49 S52 A57 A58 A59 | K49-S55 VanDerWaalsContact CA-OG 3.29Å; K49-S55 WeakPolarHBondContact CA-OG 3.33Å; K49-S55 CarbonylContact O-C 3.51Å; K49-S55 PolarHBondContact O-OG 2.93Å; S52-S55 PolarHBondContact O-N 3.18Å; S55-A57 PolarHBondContact O-N 3.2Å; S55-A58 PolarHBondContact O-N 2.92Å; S55-A58 VanDerWaalsContact O-N 3.09Å; S55-A59 PolarHBondContact O-N 2.96Å |
| 56 | L | 88.9 | Confident | 94.4 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -52.4 | -40 | -179 | 171.5 | 67.4 | 0 | 0 | 0 | 113 | K49 G50 S52 A58 A59 K62 L251 | K49-L56 PolarHBondContact O-N 3.47Å; G50-L56 WeakPolarHBondContact O-CD1 3.3Å; S52-L56 WeakPolarHBondContact O-CB 3.03Å; S52-L56 PolarHBondContact O-N 3.3Å; L56-A58 PolarHBondContact O-N 3.22Å; L56-A58 VanDerWaalsContact O-N 3.16Å; L56-A59 WeakPolarHBondContact O-CB 3.48Å; L56-A59 PolarHBondContact O-N 2.92Å; L56-K62 WeakPolarHBondContact CD1-O 3.34Å; L56-L251 HydrophobicContact CD1-CD1 4.43Å; L56-L251 HydrophobicContact CD2-CD1 3.82Å; L56-L251 HydrophobicContact CD2-CD2 3.6Å; L56-L251 HydrophobicContact CD2-CG 4.36Å |
| 57 | A | 87.9 | Confident | 94.1 | Very high | 102 Ų | 102 | 40.5 Ų | 40.5 | 84% | 0.843 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -58.7 | -31.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S55 | S55-A57 PolarHBondContact O-N 3.2Š|
| 58 | A | 89.8 | Confident | 94 | Very high | 67 Ų | 67 | 40.7 Ų | 40.7 | 55% | 0.554 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -96.3 | -6.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | K49 S55 L56 | K49-A58 VanDerWaalsContact CE-C 3.41Å; K49-A58 WeakPolarHBondContact CE-O 3.43Å; K49-A58 PolarHBondContact NZ-O 3.15Å; S55-A58 PolarHBondContact O-N 2.92Å; S55-A58 VanDerWaalsContact O-N 3.09Å; L56-A58 PolarHBondContact O-N 3.22Å; L56-A58 VanDerWaalsContact O-N 3.16Å |
| 59 | A | 93.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | trans | -73.6 | 132.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K49 S55 L56 K62 | K49-A59 HydrophobicContact CB-CB 4.27Å; K49-A59 HydrophobicContact CD-CB 4.05Å; K49-A59 HydrophobicContact CG-CB 3.93Å; S55-A59 PolarHBondContact O-N 2.96Å; L56-A59 WeakPolarHBondContact O-CB 3.48Å; L56-A59 PolarHBondContact O-N 2.92Å; A59-K62 PolarHBondContact O-NZ 2.94Å | ||
| 60 | A | 94.1 | Very high | 93.3 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -76.5 | -43.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | E46 A267 D270 D271 | E46-A60 PolarHBondContact OE2-N 3.15Å; A60-A267 WeakPolarHBondContact O-CB 3.28Å; A60-D270 HydrophobicContact CB-CB 4.49Å; A60-D271 HydrophobicContact CB-CB 4.31Å |
| 61 | V | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -85.1 | 115.1 | 174.3 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | F43 E46 G50 M63 T263 F268 | F43-V61 HydrophobicContact CD2-CG2 4.13Å; F43-V61 HydrophobicContact CE2-CG1 4.12Å; F43-V61 HydrophobicContact CE2-CG2 3.64Å; F43-V61 HydrophobicContact CZ-CG1 4.15Å; F43-V61 HydrophobicContact CZ-CG2 4.47Å; E46-V61 HydrophobicContact CB-CB 4.05Å; E46-V61 HydrophobicContact CB-CG2 3.72Å; E46-V61 HydrophobicContact CG-CG2 4.45Å; G50-V61 WeakPolarHBondContact CA-O 3.12Å; V61-M63 HydrophobicContact CG1-CG 4.06Å; V61-M63 HydrophobicContact CG1-SD 3.69Å; V61-T263 WeakPolarHBondContact CG1-O 3.17Å; V61-F268 HydrophobicContact CG2-CB 3.92Å; V61-F268 HydrophobicContact CG2-CD2 4.23Å; V61-F268 HydrophobicContact CG2-CG 4.38Å |
| 62 | K | 95 | Very high | 92.6 | Very high | 70 Ų | 70 | 41.4 Ų | 41.4 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | trans | -80.9 | -24.3 | -165.8 | -63.5 | -56.8 | -175.8 | -168.8 | 0 | 115.4 | L56 A59 L64 T263 E264 | L56-K62 WeakPolarHBondContact CD1-O 3.34Å; A59-K62 PolarHBondContact O-NZ 2.94Å; K62-L64 VanDerWaalsContact C-N 3.35Å; K62-L64 HydrophobicContact CB-CD1 4.3Å; K62-L64 HydrophobicContact CB-CD2 3.77Å; K62-L64 HydrophobicContact CB-CG 3.78Å; K62-L64 PolarHBondContact O-N 3.07Å; K62-T263 PolarHBondContact N-O 3.43Å; K62-E264 HydrophobicContact CB-CB 4.42Å | ||
| 63 | M | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | 51.1 | 51.3 | 175.9 | -55.5 | -63.3 | -72.6 | 0 | 0 | 113.1 | M47 L51 V61 P65 Y242 V261 N262 T263 | M47-M63 HydrophobicContact CB-CE 3.75Å; M47-M63 HydrophobicContact CB-SD 3.98Å; M47-M63 HydrophobicContact CE-CE 3.8Å; M47-M63 HydrophobicContact CG-CE 3.95Å; M47-M63 HydrophobicContact CG-SD 3.83Å; M47-M63 WeakPolarHBondContact O-CG 3.34Å; L51-M63 HydrophobicContact CD1-CE 3.85Å; L51-M63 HydrophobicContact CD2-CB 3.94Å; L51-M63 HydrophobicContact CD2-CE 4.1Å; L51-M63 HydrophobicContact CG-CB 3.99Å; L51-M63 HydrophobicContact CG-CE 3.76Å; L51-M63 HydrophobicContact CG-CG 4.23Å; V61-M63 HydrophobicContact CG1-CG 4.06Å; V61-M63 HydrophobicContact CG1-SD 3.69Å; M63-P65 WeakPolarHBondContact O-CD 3.46Å; M63-Y242 HydrophobicContact CE-CE1 3.69Å; M63-Y242 VanDerWaalsContact CE-OH 3.25Å; M63-Y242 WeakPolarHBondContact CE-OH 3.37Å; M63-V261 HydrophobicContact CB-CG1 3.86Å; M63-V261 HydrophobicContact CE-CG1 3.96Å; M63-V261 WeakPolarHBondContact O-CG1 3.11Å; M63-V261 HydrophobicContact SD-CG1 4.4Å; M63-N262 CarbonylContact C-O 3.33Å; M63-N262 WeakPolarHBondContact CA-O 3.28Å; M63-T263 PolarHBondContact N-O 3.14Å; M63-T263 HydrophobicContact SD-CG2 3.9Å | ||
| 64 | L | 97.3 | Very high | 91.5 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.063 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 123.3 | -171.7 | -58.8 | 172.9 | 0 | 0 | 0 | 111.6 | K62 P161 C162 L173 N262 E264 | K62-L64 VanDerWaalsContact C-N 3.35Å; K62-L64 HydrophobicContact CB-CD1 4.3Å; K62-L64 HydrophobicContact CB-CD2 3.77Å; K62-L64 HydrophobicContact CB-CG 3.78Å; K62-L64 PolarHBondContact O-N 3.07Å; L64-P161 HydrophobicContact CD1-CB 4.46Å; L64-C162 WeakPolarHBondContact CD1-O 3.27Å; L64-L173 HydrophobicContact CD1-CD1 3.95Å; L64-L173 HydrophobicContact CD2-CD1 3.92Å; L64-N262 HydrophobicContact CB-CB 4.37Å; L64-N262 PolarHBondContact N-O 2.82Å; L64-N262 PolarHBondContact O-N 2.82Å; L64-E264 HydrophobicContact CD1-CG 3.65Å; L64-E264 HydrophobicContact CG-CG 4.43Å |
| 65 | P | 96.7 | Very high | 91 | Very high | 15 Ų | 15 | 36.6 Ų | 36.6 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 139.5 | 171.6 | -19.8 | 31.9 | 0 | 0 | 0 | 111.5 | M63 I249 L251 V252 M259 | M63-P65 WeakPolarHBondContact O-CD 3.46Å; P65-I249 HydrophobicContact CG-CG2 3.93Å; P65-L251 HydrophobicContact CG-CB 4.1Å; P65-L251 HydrophobicContact CG-CD1 4.34Å; P65-V252 HydrophobicContact CB-CG2 3.54Å; P65-V252 HydrophobicContact CG-CG2 3.63Å; P65-M259 HydrophobicContact CB-SD 3.72Å |
| 66 | T | 96.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | trans | -109.5 | -5.8 | -174.1 | 67.2 | 0 | 0 | 0 | 0 | 114 | V68 V215 C260 N262 | T66-V68 PolarHBondContact O-N 2.79Å; T66-V68 PolarHBondContact OG1-N 2.89Å; T66-V215 HydrophobicContact CG2-CG2 3.67Å; T66-C260 WeakPolarHBondContact CB-O 3.41Å; T66-C260 VanDerWaalsContact CG2-O 3.26Å; T66-C260 WeakPolarHBondContact CG2-O 3.36Å; T66-C260 PolarHBondContact N-O 2.98Å; T66-C260 WeakPolarHBondContact OG1-CB 3.42Å; T66-C260 PolarHBondContact OG1-O 3.25Å; T66-N262 HydrophobicContact CG2-CB 3.87Å | ||
| 67 | H | 93.1 | Very high | 90.5 | Very high | 52 Ų | 52 | 38.2 Ų | 38.2 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | trans | 59.8 | 5.5 | -169.4 | -66.3 | -95.1 | 0 | 0 | 0 | 115.8 | R69 H164 L167 M259 | H67-R69 PolarHBondContact O-N 2.77Å; H67-H164 PolarHBondContact CD2-O 3.47Å; H67-H164 PolarHBondContact NE2-O 3.45Å; H67-L167 HydrophobicContact CB-CB 4.26Å; H67-L167 HydrophobicContact CB-CD1 4.38Å; H67-M259 PolarHBondContact N-SD 3.07Å; H67-M259 VanDerWaalsContact N-SD 3.44Å | ||
| 68 | V | 94.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | trans | -84.3 | 107.2 | 171.6 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | T66 L167 V211 V215 M219 M259 C260 V460 | T66-V68 PolarHBondContact O-N 2.79Å; T66-V68 PolarHBondContact OG1-N 2.89Å; V68-L167 HydrophobicContact CG2-CD1 3.88Å; V68-V211 HydrophobicContact CG2-CG1 4.21Å; V68-V215 HydrophobicContact CB-CG1 4.33Å; V68-V215 HydrophobicContact CG2-CG1 3.84Å; V68-M219 HydrophobicContact CG1-CE 4.11Å; V68-M219 HydrophobicContact CG1-SD 3.93Å; V68-M259 WeakPolarHBondContact O-CA 3.32Å; V68-C260 HydrophobicContact CB-CB 4.11Å; V68-C260 PolarHBondContact O-N 3.43Å; V68-V460 HydrophobicContact CG1-CG2 4.46Å; V68-V460 HydrophobicContact CG2-CG1 3.71Å; V68-V460 HydrophobicContact CG2-CG2 4.2Å | ||
| 69 | R | 90.4 | Very high | 90.7 | Very high | 126 Ų | 126 | 34.5 Ų | 34.5 | 48% | 0.475 | 19% | 0.189 | S | C | . | . | trans | -95.9 | -13.1 | -171.6 | -65.2 | -172.5 | 177.3 | -152 | -3.2 | 115.4 | H67 R258 M259 | H67-R69 PolarHBondContact O-N 2.77Å; R69-R258 VanDerWaalsContact CA-O 3.3Å; R69-R258 WeakPolarHBondContact CA-O 3.35Å; R69-R258 VanDerWaalsContact O-O 3.13Å; R69-M259 HydrophobicContact CG-CE 4.18Å | ||
| 70 | S | 87.9 | Confident | 90.7 | Very high | 28 Ų | 28 | 34.4 Ų | 34.4 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | trans | -148.8 | 154.9 | 177.2 | 65.6 | 0 | 0 | 0 | 0 | 111.7 | M219 V463 | S70-M219 WeakPolarHBondContact O-CE 3.12Å; S70-V463 VanDerWaalsContact OG-CG1 3.25Å; S70-V463 WeakPolarHBondContact OG-CG1 3.36Å | ||
| 71 | T | 89.5 | Confident | 90.8 | Very high | 17 Ų | 17 | 34 Ų | 34 | 10% | 0.104 | 19% | 0.185 | C | C | . | . | trans | -78.9 | 163.6 | 165.6 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | M218 M219 M243 | T71-M218 HydrophobicContact CG2-CE 4.37Å; T71-M219 HydrophobicContact CG2-SD 4.41Å; T71-M243 HydrophobicContact CG2-CG 4.5Å | ||
| 72 | P | 88.3 | Confident | 90.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -60.8 | 143 | 176.4 | -19.7 | 33.5 | 0 | 0 | 0 | 111 | E76 M219 F223 Q226 L459 V463 | P72-E76 WeakPolarHBondContact CA-OE1 3.41Å; P72-E76 HydrophobicContact CB-CG 4.46Å; P72-M219 HydrophobicContact CG-CE 3.86Å; P72-F223 HydrophobicContact CB-CB 4.26Å; P72-F223 HydrophobicContact CB-CD2 3.83Å; P72-F223 HydrophobicContact CG-CB 4.22Å; P72-F223 HydrophobicContact CG-CD2 4.45Å; P72-Q226 PolarHBondContact O-NE2 2.78Å; P72-Q226 PolarHBondContact O-OE1 3.09Å; P72-Q226 VanDerWaalsContact O-OE1 3.11Å; P72-L459 HydrophobicContact CG-CB 4.29Å; P72-L459 HydrophobicContact CG-CD1 4.41Å; P72-V463 HydrophobicContact CB-CG2 4.36Å; P72-V463 HydrophobicContact CG-CG2 4.36Å | ||
| 73 | D | 82.4 | Confident | 90.7 | Very high | 77 Ų | 77 | 30.7 Ų | 30.7 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | trans | -114.8 | 2.3 | 177.8 | 72.4 | 4.6 | 0 | 0 | 0 | 114.1 | S75 E76 R466 | D73-S75 WeakPolarHBondContact OD1-CB 3.33Å; D73-S75 PolarHBondContact OD1-N 3.36Å; D73-S75 PolarHBondContact OD1-OG 3.26Å; D73-E76 PolarHBondContact N-OE1 3.4Å; D73-E76 PolarHBondContact N-OE2 3.16Å; D73-R466 VanDerWaalsContact CG-CZ 3.47Å; D73-R466 VanDerWaalsContact CG-NH1 3.29Å; D73-R466 IonicContact OD1-CZ 3.72Å; D73-R466 IonicContact OD1-NE 3.18Å; D73-R466 IonicContact OD1-NH1 3.98Å; D73-R466 IonicContact OD1-NH2 3.25Å; D73-R466 IonicContact OD2-CZ 3.65Å; D73-R466 VanDerWaalsContact OD2-CZ 3.27Å; D73-R466 IonicContact OD2-NH1 3.14Å; D73-R466 PolarHBondContact OD2-NH1 3.17Å; D73-R466 IonicContact OD2-NH2 2.68Å | ||
| 74 | G | 79.6 | Confident | 90.6 | Very high | 37 Ų | 37 | 31.4 Ų | 31.4 | 38% | 0.381 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 94.6 | -8.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | E76 | G74-E76 VanDerWaalsContact C-N 3.34Å; G74-E76 WeakPolarHBondContact CA-OE2 3.35Å; G74-E76 PolarHBondContact N-OE2 3.02Å |
| 75 | S | 78.9 | Confident | 90.4 | Very high | 60 Ų | 60 | 30.9 Ų | 30.9 | 42% | 0.42 | 17% | 0.172 | S | C | . | . | trans | -90.7 | 1.9 | 175.3 | 68.5 | 0 | 0 | 0 | 0 | 113.7 | D73 R466 | D73-S75 WeakPolarHBondContact OD1-CB 3.33Å; D73-S75 PolarHBondContact OD1-N 3.36Å; D73-S75 PolarHBondContact OD1-OG 3.26Å; S75-R466 WeakPolarHBondContact OG-CD 3.49Å | ||
| 76 | E | 85.1 | Confident | 89.7 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | trans | -62.1 | 138.5 | 172.8 | -66.4 | 75.4 | -154.2 | 0 | 0 | 111.4 | P72 D73 G74 V97 A462 V463 R466 | P72-E76 WeakPolarHBondContact CA-OE1 3.41Å; P72-E76 HydrophobicContact CB-CG 4.46Å; D73-E76 PolarHBondContact N-OE1 3.4Å; D73-E76 PolarHBondContact N-OE2 3.16Å; G74-E76 VanDerWaalsContact C-N 3.34Å; G74-E76 WeakPolarHBondContact CA-OE2 3.35Å; G74-E76 PolarHBondContact N-OE2 3.02Å; E76-V97 HydrophobicContact CB-CG1 4.19Å; E76-V97 WeakPolarHBondContact O-CG1 3.32Å; E76-A462 HydrophobicContact CB-CB 3.82Å; E76-A462 HydrophobicContact CG-CB 4.03Å; E76-V463 HydrophobicContact CG-CG2 3.68Å; E76-V463 WeakPolarHBondContact OE1-CG2 3.44Å; E76-R466 IonicContact OE1-CZ 2.91Å; E76-R466 VanDerWaalsContact OE1-CZ 3.29Å; E76-R466 IonicContact OE1-NE 2.71Å; E76-R466 PolarHBondContact OE1-NE 3.31Å; E76-R466 IonicContact OE1-NH2 3.41Å; E76-R466 PolarHBondContact OE1-NH2 2.91Å | ||
| 77 | K | 87.1 | Confident | 88.9 | Confident | 113 Ų | 113 | 31.2 Ų | 31.2 | 49% | 0.491 | 18% | 0.179 | S | C | . | . | trans | -151.8 | 157.2 | 175.4 | 62 | -171.1 | -180 | -169.3 | 0 | 112.4 | V97 E99 | K77-V97 WeakPolarHBondContact CA-O 3.35Å; K77-E99 IonicContact NZ-OE1 3.11Å; K77-E99 PolarHBondContact NZ-OE1 3.32Å; K77-E99 IonicContact NZ-OE2 3.29Å; K77-E99 PolarHBondContact NZ-OE2 3.47Å | ||
| 78 | G | 89.4 | Confident | 88.1 | Confident | 32 Ų | 32 | 32.3 Ų | 32.3 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.2 | -179.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V97 | G78-V97 PolarHBondContact N-O 3.49Å; G78-V97 PolarHBondContact O-N 3.43Å |
| 79 | Q | 92.3 | Very high | 87.7 | Confident | 60 Ų | 60 | 38.4 Ų | 38.4 | 28% | 0.28 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.2 | 174 | 178.1 | -176.5 | -70.5 | 0 | 0 | 108.7 | R94 V95 K96 P153 | Q79-R94 HydrophobicContact CG-CG 4.26Å; Q79-V95 CarbonylContact C-O 3.47Å; Q79-V95 WeakPolarHBondContact CA-O 3.47Å; Q79-K96 HydrophobicContact CB-CG 4.19Å; Q79-K96 HydrophobicContact CG-CG 3.88Å; Q79-P153 WeakPolarHBondContact O-CG 3.37Å |
| 80 | F | 93.6 | Very high | 87.8 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 150.7 | -175.7 | -54.1 | -87.9 | 0 | 0 | 0 | 110.6 | V95 V97 P153 A458 A461 A462 Q465 | F80-V95 PolarHBondContact N-O 3.35Å; F80-V95 PolarHBondContact O-N 3.27Å; F80-V97 HydrophobicContact CD2-CG2 4.48Å; F80-V97 HydrophobicContact CE2-CG2 4.41Å; F80-P153 WeakPolarHBondContact CA-O 3.43Å; F80-P153 HydrophobicContact CD1-CB 3.96Å; F80-P153 HydrophobicContact CD1-CG 3.77Å; F80-P153 HydrophobicContact CE1-CB 4.35Å; F80-P153 HydrophobicContact CE1-CG 4.17Å; F80-A458 HydrophobicContact CB-CB 3.86Å; F80-A458 HydrophobicContact CD2-CB 4.45Å; F80-A458 HydrophobicContact CG-CB 4.33Å; F80-A461 HydrophobicContact CD1-CB 3.84Å; F80-A461 HydrophobicContact CE1-CB 3.99Å; F80-A462 HydrophobicContact CD2-CB 4.47Å; F80-A462 HydrophobicContact CE1-CB 4.43Å; F80-A462 HydrophobicContact CE2-CB 3.57Å; F80-A462 HydrophobicContact CZ-CB 3.55Å; F80-Q465 VanDerWaalsContact CE1-OE1 3.31Å; F80-Q465 VanDerWaalsContact CZ-OE1 3.31Å |
| 81 | V | 95 | Very high | 88.1 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 139.5 | 164.6 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | V92 L93 L137 L141 M146 H152 P153 L154 A155 | V81-V92 HydrophobicContact CG1-CG1 4.3Å; V81-L93 CarbonylContact C-O 3.58Å; V81-L93 VanDerWaalsContact CA-O 3.29Å; V81-L93 WeakPolarHBondContact CA-O 3.44Å; V81-L137 HydrophobicContact CG1-CD1 3.63Å; V81-L141 HydrophobicContact CG2-CD2 4.05Å; V81-M146 HydrophobicContact CG2-CE 3.69Å; V81-H152 HydrophobicContact CG2-CB 4.03Å; V81-P153 PolarHBondContact N-O 3.35Å; V81-L154 HydrophobicContact CB-CB 4.48Å; V81-L154 HydrophobicContact CB-CD1 4.48Å; V81-L154 HydrophobicContact CB-CG 4.45Å; V81-L154 HydrophobicContact CG1-CD1 4.11Å; V81-L154 HydrophobicContact CG1-CG 4.45Å; V81-L154 CarbonylContact O-C 3.54Å; V81-L154 VanDerWaalsContact O-CA 3.24Å; V81-L154 WeakPolarHBondContact O-CA 3.38Å; V81-A155 PolarHBondContact O-N 2.82Å |
| 82 | A | 95.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 138.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V92 L93 A155 | A82-V92 WeakPolarHBondContact O-CA 3.23Å; A82-L93 HydrophobicContact CB-CB 4.33Å; A82-L93 PolarHBondContact N-O 3.16Å; A82-L93 PolarHBondContact O-N 3.02Å; A82-A155 CarbonylContact C-O 3.52Å; A82-A155 VanDerWaalsContact CA-O 3.23Å; A82-A155 WeakPolarHBondContact CA-O 3.38Å |
| 83 | L | 95.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 143.2 | 169.5 | -61.7 | 177.9 | 0 | 0 | 0 | 109 | F90 V92 V133 L137 L154 A155 F156 T157 L193 | L83-F90 HydrophobicContact CD2-CE2 4.29Å; L83-F90 HydrophobicContact CD2-CZ 4.32Å; L83-V92 HydrophobicContact CD2-CB 4.31Å; L83-V92 HydrophobicContact CD2-CG1 4Å; L83-V92 HydrophobicContact CD2-CG2 3.77Å; L83-V133 HydrophobicContact CD1-CG1 3.88Å; L83-L137 HydrophobicContact CD2-CB 4.44Å; L83-L137 HydrophobicContact CD2-CD1 4.33Å; L83-L154 HydrophobicContact CD1-CD1 3.89Å; L83-L154 HydrophobicContact CD1-CD2 3.98Å; L83-L154 HydrophobicContact CD1-CG 4.48Å; L83-L154 HydrophobicContact CG-CD1 3.93Å; L83-L154 HydrophobicContact CG-CD2 4.16Å; L83-L154 HydrophobicContact CG-CG 4.35Å; L83-A155 PolarHBondContact N-O 3.41Å; L83-F156 HydrophobicContact CB-CD2 3.56Å; L83-F156 HydrophobicContact CB-CE2 4.01Å; L83-F156 HydrophobicContact CB-CG 4.39Å; L83-F156 HydrophobicContact CD1-CD2 4.26Å; L83-F156 HydrophobicContact CD1-CE2 4.5Å; L83-T157 WeakPolarHBondContact O-CA 3.5Å; L83-T157 WeakPolarHBondContact O-CB 3.2Å; L83-T157 PolarHBondContact O-N 3.36Å; L83-T157 PolarHBondContact O-OG1 2.96Å; L83-L193 HydrophobicContact CD1-CD1 4.05Å; L83-L193 HydrophobicContact CD1-CD2 3.77Å |
| 84 | D | 94.6 | Very high | 89.2 | Confident | 15 Ų | 15 | 30.2 Ų | 30.2 | 8% | 0.08 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 104.5 | 174.8 | -177.6 | 12.6 | 0 | 0 | 0 | 111 | F90 K91 S453 S454 | D84-F90 WeakPolarHBondContact O-CA 3.26Å; D84-F90 WeakPolarHBondContact O-CD2 3.46Å; D84-K91 HydrophobicContact CB-CB 4.28Å; D84-K91 PolarHBondContact N-O 3.49Å; D84-K91 PolarHBondContact O-N 3.13Å; D84-K91 VanDerWaalsContact O-N 3.1Å; D84-S453 PolarHBondContact OD2-OG 3.25Å; D84-S454 WeakPolarHBondContact CB-OG 3.24Å; D84-S454 PolarHBondContact OD2-OG 2.97Å; D84-S454 VanDerWaalsContact OD2-OG 3.08Å |
| 85 | L | 92.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.6 | -175.8 | -175.9 | 66.1 | 0 | 0 | 0 | 111.4 | F90 L129 V133 F156 T157 F158 S159 | L85-F90 HydrophobicContact CB-CD2 4.23Å; L85-F90 HydrophobicContact CD1-CB 4.24Å; L85-F90 HydrophobicContact CD1-CD2 4.01Å; L85-F90 HydrophobicContact CD1-CG 4.25Å; L85-L129 HydrophobicContact CD2-CD2 4.44Å; L85-V133 HydrophobicContact CD2-CG2 4.17Å; L85-F156 HydrophobicContact CB-CE2 3.79Å; L85-F156 HydrophobicContact CB-CZ 4.26Å; L85-F156 HydrophobicContact CD2-CE2 4.4Å; L85-F156 HydrophobicContact CD2-CZ 4.06Å; L85-T157 PolarHBondContact N-O 2.92Å; L85-F158 HydrophobicContact CB-CD2 4.41Å; L85-F158 HydrophobicContact CD2-CD2 4.11Å; L85-F158 HydrophobicContact CD2-CE2 3.98Å; L85-F158 HydrophobicContact CG-CD2 4.45Å; L85-F158 WeakPolarHBondContact O-CA 3.39Å; L85-S159 PolarHBondContact O-N 3.46Å |
| 86 | G | 83.2 | Confident | 90.4 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 112.1 | -3.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F160 K177 | G86-F160 VanDerWaalsContact CA-CE2 3.49Å; G86-K177 WeakPolarHBondContact O-CD 3.34Å; G86-K177 PolarHBondContact O-NZ 3.32Å |
| 87 | G | 79.4 | Confident | 90.5 | Very high | 26 Ų | 26 | 28.2 Ų | 28.2 | 27% | 0.268 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -84.2 | -160.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K89 | G87-K89 VanDerWaalsContact C-N 3.27Å; G87-K89 PolarHBondContact O-N 3.1Å |
| 88 | S | 75.6 | Confident | 90 | Very high | 75 Ų | 75 | 29.1 Ų | 29.1 | 52% | 0.524 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -74.7 | -16.5 | 178.4 | -48.4 | 0 | 0 | 0 | 0 | 114 | T236 | S88-T236 PolarHBondContact OG-OG1 3.33Å; S88-T236 VanDerWaalsContact OG-OG1 3.09Å |
| 89 | K | 86.2 | Confident | 88.6 | Confident | 133 Ų | 133 | 34 Ų | 34 | 58% | 0.578 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -142.9 | 144.5 | -176 | -69.3 | 177.6 | 174.8 | -174.7 | 0 | 108.3 | G87 T114 | G87-K89 VanDerWaalsContact C-N 3.27Å; G87-K89 PolarHBondContact O-N 3.1Å; K89-T114 HydrophobicContact CB-CG2 3.96Å; K89-T114 HydrophobicContact CD-CG2 4.03Å; K89-T114 HydrophobicContact CG-CG2 4.19Å |
| 90 | F | 92.6 | Very high | 86.7 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 132.2 | 169.3 | 168.5 | -129.8 | 0 | 0 | 0 | 109.2 | L83 D84 L85 V92 T114 Y115 M117 V133 | L83-F90 HydrophobicContact CD2-CE2 4.29Å; L83-F90 HydrophobicContact CD2-CZ 4.32Å; D84-F90 WeakPolarHBondContact O-CA 3.26Å; D84-F90 WeakPolarHBondContact O-CD2 3.46Å; L85-F90 HydrophobicContact CB-CD2 4.23Å; L85-F90 HydrophobicContact CD1-CB 4.24Å; L85-F90 HydrophobicContact CD1-CD2 4.01Å; L85-F90 HydrophobicContact CD1-CG 4.25Å; F90-V92 HydrophobicContact CE1-CG2 4.38Å; F90-V92 HydrophobicContact CE2-CG2 4.37Å; F90-V92 HydrophobicContact CZ-CG2 3.82Å; F90-T114 WeakPolarHBondContact O-CA 3.21Å; F90-Y115 HydrophobicContact CD1-CG 4.44Å; F90-Y115 HydrophobicContact CE1-CD2 4.45Å; F90-Y115 HydrophobicContact CE1-CG 4.37Å; F90-Y115 PolarHBondContact O-N 3.5Å; F90-M117 HydrophobicContact CB-CG 3.69Å; F90-M117 HydrophobicContact CB-SD 3.67Å; F90-M117 HydrophobicContact CD1-SD 3.74Å; F90-M117 HydrophobicContact CG-SD 3.94Å; F90-V133 HydrophobicContact CE1-CG2 4.3Å; F90-V133 HydrophobicContact CE2-CG1 4.24Å; F90-V133 HydrophobicContact CE2-CG2 4.31Å; F90-V133 HydrophobicContact CZ-CB 4.16Å; F90-V133 HydrophobicContact CZ-CG1 3.87Å; F90-V133 HydrophobicContact CZ-CG2 4.04Å |
| 91 | K | 93.6 | Very high | 84.6 | Confident | 39 Ų | 39 | 43.2 Ų | 43.2 | 17% | 0.17 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 148.4 | -178.3 | -57.7 | -179.7 | 170.6 | -161.5 | 0 | 112.4 | D84 L93 E112 K113 | D84-K91 HydrophobicContact CB-CB 4.28Å; D84-K91 PolarHBondContact N-O 3.49Å; D84-K91 PolarHBondContact O-N 3.13Å; D84-K91 VanDerWaalsContact O-N 3.1Å; K91-L93 HydrophobicContact CB-CD1 3.79Å; K91-E112 IonicContact NZ-OE1 3.21Å; K91-E112 PolarHBondContact NZ-OE1 3.2Å; K91-E112 VanDerWaalsContact NZ-OE1 3.1Å; K91-E112 IonicContact NZ-OE2 3.18Å; K91-E112 PolarHBondContact NZ-OE2 3.3Å; K91-K113 WeakPolarHBondContact CA-O 3.49Å |
| 92 | V | 95.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 135.6 | 166.8 | -171.8 | 0 | 0 | 0 | 0 | 108.4 | V81 A82 L83 F90 E112 K113 Y115 L137 F140 | V81-V92 HydrophobicContact CG1-CG1 4.3Å; A82-V92 WeakPolarHBondContact O-CA 3.23Å; L83-V92 HydrophobicContact CD2-CB 4.31Å; L83-V92 HydrophobicContact CD2-CG1 4Å; L83-V92 HydrophobicContact CD2-CG2 3.77Å; F90-V92 HydrophobicContact CE1-CG2 4.38Å; F90-V92 HydrophobicContact CE2-CG2 4.37Å; F90-V92 HydrophobicContact CZ-CG2 3.82Å; V92-E112 WeakPolarHBondContact O-CA 3.39Å; V92-K113 PolarHBondContact N-O 2.58Å; V92-K113 PolarHBondContact O-N 2.99Å; V92-Y115 HydrophobicContact CB-CD2 4.44Å; V92-Y115 HydrophobicContact CB-CE2 3.96Å; V92-Y115 HydrophobicContact CG2-CD2 3.8Å; V92-Y115 HydrophobicContact CG2-CE2 3.62Å; V92-L137 HydrophobicContact CG1-CD1 3.89Å; V92-F140 HydrophobicContact CB-CB 4.07Å; V92-F140 HydrophobicContact CB-CD1 4.35Å; V92-F140 HydrophobicContact CB-CD2 4.21Å; V92-F140 HydrophobicContact CB-CG 3.95Å; V92-F140 HydrophobicContact CG1-CB 3.73Å; V92-F140 HydrophobicContact CG1-CD1 3.52Å; V92-F140 HydrophobicContact CG1-CD2 4.25Å; V92-F140 HydrophobicContact CG1-CE1 4.15Å; V92-F140 HydrophobicContact CG1-CG 3.56Å |
| 93 | L | 94.1 | Very high | 79.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 149.6 | -175 | -56 | 84.8 | 0 | 0 | 0 | 112.5 | V81 A82 K91 V95 M110 E111 E112 S454 | V81-L93 CarbonylContact C-O 3.58Å; V81-L93 VanDerWaalsContact CA-O 3.29Å; V81-L93 WeakPolarHBondContact CA-O 3.44Å; A82-L93 HydrophobicContact CB-CB 4.33Å; A82-L93 PolarHBondContact N-O 3.16Å; A82-L93 PolarHBondContact O-N 3.02Å; K91-L93 HydrophobicContact CB-CD1 3.79Å; L93-V95 HydrophobicContact CB-CG2 4.36Å; L93-M110 HydrophobicContact CD2-CE 3.46Å; L93-M110 VanDerWaalsContact CD2-CE 3.46Å; L93-E111 CarbonylContact C-O 3.5Å; L93-E111 WeakPolarHBondContact CA-O 3.29Å; L93-E112 HydrophobicContact CB-CB 4.47Å; L93-E112 HydrophobicContact CD2-CB 3.73Å; L93-E112 HydrophobicContact CG-CB 3.62Å; L93-S454 WeakPolarHBondContact CD1-OG 3.45Å |
| 94 | R | 93.7 | Very high | 77.5 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 13% | 0.132 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 124.2 | 161.6 | -177.3 | 172.3 | 75.8 | 171.9 | 4.5 | 108.3 | Q79 M110 E111 F140 M146 | Q79-R94 HydrophobicContact CG-CG 4.26Å; R94-M110 WeakPolarHBondContact O-CA 3.47Å; R94-E111 HydrophobicContact CB-CB 4.46Å; R94-E111 IonicContact CZ-OE1 3.03Å; R94-E111 IonicContact CZ-OE2 3.92Å; R94-E111 PolarHBondContact N-O 2.88Å; R94-E111 IonicContact NE-OE2 2.89Å; R94-E111 PolarHBondContact NE-OE2 2.84Å; R94-E111 IonicContact NH2-OE1 2.68Å; R94-E111 PolarHBondContact NH2-OE1 3.47Å; R94-E111 IonicContact NH2-OE2 2.81Å; R94-E111 PolarHBondContact NH2-OE2 3.38Å; R94-E111 PolarHBondContact O-N 3.47Å; R94-F140 HydrophobicContact CB-CE1 3.94Å; R94-F140 HydrophobicContact CB-CZ 4.07Å; R94-M146 HydrophobicContact CG-SD 4.3Å |
| 95 | V | 92.2 | Very high | 75.3 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.6 | 179.6 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | Q79 F80 L93 V97 V108 E109 M110 A458 | Q79-V95 CarbonylContact C-O 3.47Å; Q79-V95 WeakPolarHBondContact CA-O 3.47Å; F80-V95 PolarHBondContact N-O 3.35Å; F80-V95 PolarHBondContact O-N 3.27Å; L93-V95 HydrophobicContact CB-CG2 4.36Å; V95-V97 HydrophobicContact CG1-CG2 4.32Å; V95-V108 HydrophobicContact CG1-CG1 3.57Å; V95-E109 WeakPolarHBondContact CA-O 3.43Å; V95-M110 HydrophobicContact CG1-CG 4.19Å; V95-M110 HydrophobicContact CG2-CE 4.21Å; V95-M110 HydrophobicContact CG2-CG 4.25Å; V95-A458 HydrophobicContact CB-CB 3.57Å; V95-A458 HydrophobicContact CG1-CB 3.72Å; V95-A458 HydrophobicContact CG2-CB 3.7Å |
| 96 | K | 90.9 | Very high | 73.6 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118.8 | 172.9 | -63.5 | 176.2 | -176.1 | 174.5 | 0 | 108.8 | Q79 V108 E109 | Q79-K96 HydrophobicContact CB-CG 4.19Å; Q79-K96 HydrophobicContact CG-CG 3.88Å; K96-V108 WeakPolarHBondContact O-CA 3.48Å; K96-E109 HydrophobicContact CB-CB 4.29Å; K96-E109 PolarHBondContact N-O 3.39Å; K96-E109 PolarHBondContact O-N 2.97Å |
| 97 | V | 87.2 | Confident | 73 | Confident | 6 Ų | 6 | 72.9 Ų | 72.9 | 4% | 0.036 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 110.2 | 173.8 | -169 | 0 | 0 | 0 | 0 | 107.2 | E76 K77 G78 F80 V95 V108 F223 L459 | E76-V97 HydrophobicContact CB-CG1 4.19Å; E76-V97 WeakPolarHBondContact O-CG1 3.32Å; K77-V97 WeakPolarHBondContact CA-O 3.35Å; G78-V97 PolarHBondContact N-O 3.49Å; G78-V97 PolarHBondContact O-N 3.43Å; F80-V97 HydrophobicContact CD2-CG2 4.48Å; F80-V97 HydrophobicContact CE2-CG2 4.41Å; V95-V97 HydrophobicContact CG1-CG2 4.32Å; V97-V108 HydrophobicContact CG1-CG2 4.43Å; V97-V108 HydrophobicContact CG2-CG2 4.47Å; V97-F223 HydrophobicContact CG1-CE2 4.31Å; V97-F223 HydrophobicContact CG1-CZ 4.45Å; V97-L459 HydrophobicContact CG2-CD2 4.16Å |
| 98 | R | 77.3 | Confident | 73.2 | Confident | 132 Ų | 132 | 73.5 Ų | 73.5 | 50% | 0.498 | 37% | 0.367 | S | S | . | . | trans | -97.2 | 151.2 | -176.2 | -65.1 | -174.8 | 178.5 | -160 | 1.3 | 111.6 | G106 G107 E109 | R98-G106 WeakPolarHBondContact O-CA 3.27Å; R98-G107 PolarHBondContact N-O 3.32Å; R98-G107 PolarHBondContact O-N 3.06Å; R98-E109 IonicContact CZ-OE1 3.82Å; R98-E109 IonicContact CZ-OE2 2.69Å; R98-E109 IonicContact NE-OE1 3.92Å; R98-E109 PolarHBondContact NE-OE1 3.44Å; R98-E109 IonicContact NE-OE2 2.94Å; R98-E109 PolarHBondContact NE-OE2 3.43Å; R98-E109 VanDerWaalsContact NE-OE2 3.1Å; R98-E109 IonicContact NH1-OE1 2.68Å; R98-E109 PolarHBondContact NH1-OE1 3.14Å; R98-E109 IonicContact NH2-OE1 3.33Å; R98-E109 PolarHBondContact NH2-OE1 3.36Å; R98-E109 IonicContact NH2-OE2 3.93Å; R98-E109 PolarHBondContact NH2-OE2 3.19Å | ||
| 99 | E | 60.2 | Low | 73.7 | Confident | 136 Ų | 136 | 73.8 Ų | 73.8 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | trans | -86.9 | 115.9 | 165 | -147.5 | 159.1 | -163.3 | 0 | 0 | 106 | K77 | K77-E99 IonicContact NZ-OE1 3.11Å; K77-E99 PolarHBondContact NZ-OE1 3.32Å; K77-E99 IonicContact NZ-OE2 3.29Å; K77-E99 PolarHBondContact NZ-OE2 3.47Å | ||
| 100 | D | 52 | Low | 73.9 | Confident | 63 Ų | 63 | 70.3 Ų | 70.3 | 34% | 0.337 | 35% | 0.347 | S | S | . | . | trans | -93.4 | 107.3 | 173.8 | -173.7 | -5.6 | 0 | 0 | 0 | 108.4 | E102 T103 N104 K105 | D100-E102 PolarHBondContact O-N 3.26Å; D100-E102 PolarHBondContact OD1-N 3.39Å; D100-T103 VanDerWaalsContact CG-OG1 3.29Å; D100-T103 PolarHBondContact OD2-OG1 2.81Å; D100-N104 PolarHBondContact O-N 3.31Å; D100-K105 WeakPolarHBondContact CB-O 3.29Å | ||
| 101 | E | 48.6 | Very low | 73.9 | Confident | 190 Ų | 190 | 73.8 Ų | 73.8 | 89% | 0.888 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -19.7 | -176.1 | -66.8 | -173.9 | 171 | 0 | 0 | 113.1 | ||
| 102 | E | 43.3 | Very low | 73.8 | Confident | 184 Ų | 184 | 76.3 Ų | 76.3 | 86% | 0.86 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -30.8 | -177.4 | -75.6 | -173.5 | 159.6 | 0 | 0 | 113.9 | D100 | D100-E102 PolarHBondContact O-N 3.26Å; D100-E102 PolarHBondContact OD1-N 3.39Å |
| 103 | T | 47.4 | Very low | 73.8 | Confident | 83 Ų | 83 | 79 Ų | 79 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -7.6 | -172.6 | 72.3 | 0 | 0 | 0 | 0 | 115.1 | D100 K105 | D100-T103 VanDerWaalsContact CG-OG1 3.29Å; D100-T103 PolarHBondContact OD2-OG1 2.81Å; T103-K105 PolarHBondContact O-N 2.79Å; T103-K105 PolarHBondContact OG1-N 3.44Å |
| 104 | N | 47 | Very low | 73.8 | Confident | 160 Ų | 160 | 81.8 Ų | 81.8 | 86% | 0.856 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 54.8 | 19.8 | -174.6 | -115 | 5 | 0 | 0 | 0 | 113.5 | D100 | D100-N104 PolarHBondContact O-N 3.31Š|
| 105 | K | 48.6 | Very low | 73.8 | Confident | 165 Ų | 165 | 81 Ų | 81 | 72% | 0.717 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -119.5 | 107.6 | 173.4 | -73.7 | -171.9 | 177.4 | -176.8 | 0 | 108.6 | D100 T103 G107 | D100-K105 WeakPolarHBondContact CB-O 3.29Å; T103-K105 PolarHBondContact O-N 2.79Å; T103-K105 PolarHBondContact OG1-N 3.44Å; K105-G107 PolarHBondContact O-N 3.23Å |
| 106 | G | 56.9 | Low | 73.9 | Confident | 14 Ų | 14 | 86 Ų | 86 | 14% | 0.144 | 44% | 0.435 | C | S | . | . | trans | -55.9 | 128.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R98 F223 | R98-G106 WeakPolarHBondContact O-CA 3.27Å; G106-F223 VanDerWaalsContact O-CE1 3.28Å; G106-F223 WeakPolarHBondContact O-CE1 3.46Å; G106-F223 VanDerWaalsContact O-CZ 3.25Å; G106-F223 WeakPolarHBondContact O-CZ 3.33Å | ||
| 107 | G | 70.8 | Confident | 74 | Confident | 35 Ų | 35 | 84.8 Ų | 84.8 | 36% | 0.361 | 43% | 0.43 | S | S | . | . | trans | -85.9 | 141.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R98 K105 | R98-G107 PolarHBondContact N-O 3.32Å; R98-G107 PolarHBondContact O-N 3.06Å; K105-G107 PolarHBondContact O-N 3.23Å | ||
| 108 | V | 83 | Confident | 74.2 | Confident | 39 Ų | 39 | 86.9 Ų | 86.9 | 24% | 0.236 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 115.5 | 172.8 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | V95 K96 V97 M110 F223 K455 | V95-V108 HydrophobicContact CG1-CG1 3.57Å; K96-V108 WeakPolarHBondContact O-CA 3.48Å; V97-V108 HydrophobicContact CG1-CG2 4.43Å; V97-V108 HydrophobicContact CG2-CG2 4.47Å; V108-M110 HydrophobicContact CG1-CG 3.74Å; V108-M110 HydrophobicContact CG1-SD 4.12Å; V108-F223 HydrophobicContact CG2-CD1 4.2Å; V108-F223 HydrophobicContact CG2-CE1 3.62Å; V108-F223 HydrophobicContact CG2-CE2 4.41Å; V108-F223 HydrophobicContact CG2-CZ 3.74Å; V108-K455 HydrophobicContact CG1-CD 4.25Å; V108-K455 HydrophobicContact CG1-CG 4.18Å |
| 109 | E | 87.8 | Confident | 74.7 | Confident | 81 Ų | 81 | 89.1 Ų | 89.1 | 38% | 0.379 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 134.5 | 169.1 | -63.9 | -179.6 | 160.7 | 0 | 0 | 109.7 | V95 K96 R98 | V95-E109 WeakPolarHBondContact CA-O 3.43Å; K96-E109 HydrophobicContact CB-CB 4.29Å; K96-E109 PolarHBondContact N-O 3.39Å; K96-E109 PolarHBondContact O-N 2.97Å; R98-E109 IonicContact CZ-OE1 3.82Å; R98-E109 IonicContact CZ-OE2 2.69Å; R98-E109 IonicContact NE-OE1 3.92Å; R98-E109 PolarHBondContact NE-OE1 3.44Å; R98-E109 IonicContact NE-OE2 2.94Å; R98-E109 PolarHBondContact NE-OE2 3.43Å; R98-E109 VanDerWaalsContact NE-OE2 3.1Å; R98-E109 IonicContact NH1-OE1 2.68Å; R98-E109 PolarHBondContact NH1-OE1 3.14Å; R98-E109 IonicContact NH2-OE1 3.33Å; R98-E109 PolarHBondContact NH2-OE1 3.36Å; R98-E109 IonicContact NH2-OE2 3.93Å; R98-E109 PolarHBondContact NH2-OE2 3.19Å |
| 110 | M | 89.4 | Confident | 76.2 | Confident | 60 Ų | 60 | 89.2 Ų | 89.2 | 30% | 0.296 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 137.1 | -176.6 | -65.5 | -179 | 63.7 | 0 | 0 | 111.4 | L93 R94 V95 V108 K455 | L93-M110 HydrophobicContact CD2-CE 3.46Å; L93-M110 VanDerWaalsContact CD2-CE 3.46Å; R94-M110 WeakPolarHBondContact O-CA 3.47Å; V95-M110 HydrophobicContact CG1-CG 4.19Å; V95-M110 HydrophobicContact CG2-CE 4.21Å; V95-M110 HydrophobicContact CG2-CG 4.25Å; V108-M110 HydrophobicContact CG1-CG 3.74Å; V108-M110 HydrophobicContact CG1-SD 4.12Å; M110-K455 HydrophobicContact CE-CB 3.76Å; M110-K455 HydrophobicContact SD-CB 3.59Å; M110-K455 VanDerWaalsContact SD-CB 3.59Å; M110-K455 HydrophobicContact SD-CD 3.98Å; M110-K455 HydrophobicContact SD-CG 3.79Å |
| 111 | E | 91.8 | Very high | 78.2 | Confident | 74 Ų | 74 | 87.1 Ų | 87.1 | 35% | 0.346 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.6 | 167.1 | -66.9 | 168 | 177.4 | 0 | 0 | 107.9 | L93 R94 | L93-E111 CarbonylContact C-O 3.5Å; L93-E111 WeakPolarHBondContact CA-O 3.29Å; R94-E111 HydrophobicContact CB-CB 4.46Å; R94-E111 IonicContact CZ-OE1 3.03Å; R94-E111 IonicContact CZ-OE2 3.92Å; R94-E111 PolarHBondContact N-O 2.88Å; R94-E111 IonicContact NE-OE2 2.89Å; R94-E111 PolarHBondContact NE-OE2 2.84Å; R94-E111 IonicContact NH2-OE1 2.68Å; R94-E111 PolarHBondContact NH2-OE1 3.47Å; R94-E111 IonicContact NH2-OE2 2.81Å; R94-E111 PolarHBondContact NH2-OE2 3.38Å; R94-E111 PolarHBondContact O-N 3.47Å |
| 112 | E | 91.9 | Very high | 80.1 | Confident | 92 Ų | 92 | 80.9 Ų | 80.9 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 152.4 | -179.8 | 67.7 | 167.6 | -146.7 | 0 | 0 | 112.3 | K91 V92 L93 | K91-E112 IonicContact NZ-OE1 3.21Å; K91-E112 PolarHBondContact NZ-OE1 3.2Å; K91-E112 VanDerWaalsContact NZ-OE1 3.1Å; K91-E112 IonicContact NZ-OE2 3.18Å; K91-E112 PolarHBondContact NZ-OE2 3.3Å; V92-E112 WeakPolarHBondContact O-CA 3.39Å; L93-E112 HydrophobicContact CB-CB 4.47Å; L93-E112 HydrophobicContact CD2-CB 3.73Å; L93-E112 HydrophobicContact CG-CB 3.62Å |
| 113 | K | 94.6 | Very high | 82.4 | Confident | 56 Ų | 56 | 77.8 Ų | 77.8 | 24% | 0.243 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 134.5 | 167.3 | -174.7 | 166 | 168.1 | -172.8 | 0 | 109.4 | K91 V92 Y115 D139 F140 E143 | K91-K113 WeakPolarHBondContact CA-O 3.49Å; V92-K113 PolarHBondContact N-O 2.58Å; V92-K113 PolarHBondContact O-N 2.99Å; K113-Y115 HydrophobicContact CB-CE2 3.89Å; K113-Y115 HydrophobicContact CD-CE1 4.41Å; K113-Y115 HydrophobicContact CD-CE2 4.02Å; K113-Y115 VanDerWaalsContact CD-OH 3.31Å; K113-Y115 WeakPolarHBondContact CD-OH 3.25Å; K113-Y115 WeakPolarHBondContact CE-OH 3.18Å; K113-Y115 HydrophobicContact CG-CD2 4.34Å; K113-Y115 HydrophobicContact CG-CE2 3.73Å; K113-D139 IonicContact NZ-OD2 3.57Å; K113-D139 PolarHBondContact NZ-OD2 3.41Å; K113-F140 HydrophobicContact CB-CD2 3.66Å; K113-F140 HydrophobicContact CB-CE2 3.88Å; K113-F140 HydrophobicContact CD-CD2 4.46Å; K113-E143 VanDerWaalsContact CD-OE2 3.27Å; K113-E143 WeakPolarHBondContact CD-OE2 3.34Å; K113-E143 WeakPolarHBondContact CE-OE2 3.12Å; K113-E143 IonicContact NZ-OE2 3.61Å; K113-E143 PolarHBondContact NZ-OE2 2.95Å |
| 114 | T | 94.9 | Very high | 84.6 | Confident | 60 Ų | 60 | 74.1 Ų | 74.1 | 37% | 0.368 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 133.2 | 174.2 | -64.2 | 0 | 0 | 0 | 0 | 109.4 | K89 F90 | K89-T114 HydrophobicContact CB-CG2 3.96Å; K89-T114 HydrophobicContact CD-CG2 4.03Å; K89-T114 HydrophobicContact CG-CG2 4.19Å; F90-T114 WeakPolarHBondContact O-CA 3.21Å |
| 115 | Y | 95 | Very high | 86.9 | Confident | 18 Ų | 18 | 73.3 Ų | 73.3 | 7% | 0.071 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.6 | 176.3 | -71.1 | -93.4 | 0 | 0 | 0 | 110.3 | F90 V92 K113 S136 D139 F140 | F90-Y115 HydrophobicContact CD1-CG 4.44Å; F90-Y115 HydrophobicContact CE1-CD2 4.45Å; F90-Y115 HydrophobicContact CE1-CG 4.37Å; F90-Y115 PolarHBondContact O-N 3.5Å; V92-Y115 HydrophobicContact CB-CD2 4.44Å; V92-Y115 HydrophobicContact CB-CE2 3.96Å; V92-Y115 HydrophobicContact CG2-CD2 3.8Å; V92-Y115 HydrophobicContact CG2-CE2 3.62Å; K113-Y115 HydrophobicContact CB-CE2 3.89Å; K113-Y115 HydrophobicContact CD-CE1 4.41Å; K113-Y115 HydrophobicContact CD-CE2 4.02Å; K113-Y115 VanDerWaalsContact CD-OH 3.31Å; K113-Y115 WeakPolarHBondContact CD-OH 3.25Å; K113-Y115 WeakPolarHBondContact CE-OH 3.18Å; K113-Y115 HydrophobicContact CG-CD2 4.34Å; K113-Y115 HydrophobicContact CG-CE2 3.73Å; Y115-S136 WeakPolarHBondContact CD1-OG 3.3Å; Y115-S136 PolarHBondContact OH-O 3.47Å; Y115-S136 VanDerWaalsContact OH-O 3.1Å; Y115-D139 HydrophobicContact CE1-CB 4.31Å; Y115-D139 VanDerWaalsContact CE1-OD2 3.23Å; Y115-D139 WeakPolarHBondContact CE1-OD2 3.19Å; Y115-D139 PolarHBondContact OH-OD2 3.12Å; Y115-F140 HydrophobicContact CE2-CB 4.4Å; Y115-F140 WeakPolarHBondContact OH-CA 3.29Å; Y115-F140 WeakPolarHBondContact OH-CB 3.24Å; Y115-F140 PolarHBondContact OH-N 2.64Å; Y115-F140 VanDerWaalsContact OH-N 3.15Å |
| 116 | P | 93.2 | Very high | 89.2 | Confident | 106 Ų | 106 | 65.6 Ų | 65.6 | 69% | 0.688 | 33% | 0.331 | S | S | * | . | trans | -67.2 | 140.9 | 174.3 | 29 | -33 | 0 | 0 | 0 | 110 | P118 H132 | P116-P118 WeakPolarHBondContact O-CD 3.43Å; P116-H132 PolarHBondContact O-CE1 2.85Å; P116-H132 PolarHBondContact O-NE2 2.96Å | ||
| 117 | M | 92.1 | Very high | 91 | Very high | 26 Ų | 26 | 67.7 Ų | 67.7 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | trans | -102.1 | 111.7 | 172.5 | -70.4 | -56.2 | -58.8 | 0 | 0 | 109.3 | F90 L121 Y122 L129 | F90-M117 HydrophobicContact CB-CG 3.69Å; F90-M117 HydrophobicContact CB-SD 3.67Å; F90-M117 HydrophobicContact CD1-SD 3.74Å; F90-M117 HydrophobicContact CG-SD 3.94Å; M117-L121 HydrophobicContact CE-CB 4.24Å; M117-L121 HydrophobicContact CE-CD1 3.79Å; M117-Y122 HydrophobicContact CB-CE2 3.93Å; M117-L129 HydrophobicContact CE-CD1 3.43Å; M117-L129 VanDerWaalsContact CE-CD1 3.43Å | ||
| 118 | P | 92.4 | Very high | 92.3 | Very high | 50 Ų | 50 | 69.2 Ų | 69.2 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | trans | -53.8 | 142.3 | 172.2 | -23 | 30 | 0 | 0 | 0 | 111.5 | P116 E120 L121 Y122 | P116-P118 WeakPolarHBondContact O-CD 3.43Å; P118-E120 WeakPolarHBondContact CB-OE2 3.29Å; P118-E120 PolarHBondContact O-N 2.89Å; P118-L121 HydrophobicContact CB-CD1 4.43Å; P118-L121 HydrophobicContact CB-CG 4.18Å; P118-L121 HydrophobicContact CG-CD1 4.08Å; P118-L121 HydrophobicContact CG-CG 4.35Å; P118-L121 PolarHBondContact O-N 2.68Å; P118-Y122 WeakPolarHBondContact O-CD2 3.36Å | ||
| 119 | K | 88.6 | Confident | 92.9 | Very high | 179 Ų | 179 | 67.3 Ų | 67.3 | 78% | 0.778 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -64.6 | -31 | -174.1 | -73.3 | -176.3 | 179.1 | 177.7 | 0 | 112 | L121 Y122 | K119-L121 PolarHBondContact O-N 3.2Å; K119-Y122 WeakPolarHBondContact O-CD2 3.47Å; K119-Y122 PolarHBondContact O-N 3.35Å |
| 120 | E | 91.8 | Very high | 93.4 | Very high | 139 Ų | 139 | 63.5 Ų | 63.5 | 65% | 0.65 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -65.5 | -27.7 | -178.6 | -56.1 | 70.6 | -150.3 | 0 | 0 | 111.3 | P118 Y122 E123 G124 | P118-E120 WeakPolarHBondContact CB-OE2 3.29Å; P118-E120 PolarHBondContact O-N 2.89Å; E120-Y122 VanDerWaalsContact C-N 3.3Å; E120-Y122 PolarHBondContact O-N 2.88Å; E120-E123 PolarHBondContact O-N 2.8Å; E120-G124 WeakPolarHBondContact O-CA 3.38Å; E120-G124 PolarHBondContact O-N 3.13Å |
| 121 | L | 92.8 | Very high | 93.8 | Very high | 19 Ų | 19 | 62.7 Ų | 62.7 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -73.1 | -20.8 | -179.4 | -62.9 | -173.3 | 0 | 0 | 0 | 113.3 | M117 P118 K119 E123 E128 L129 H132 V181 | M117-L121 HydrophobicContact CE-CB 4.24Å; M117-L121 HydrophobicContact CE-CD1 3.79Å; P118-L121 HydrophobicContact CB-CD1 4.43Å; P118-L121 HydrophobicContact CB-CG 4.18Å; P118-L121 HydrophobicContact CG-CD1 4.08Å; P118-L121 HydrophobicContact CG-CG 4.35Å; P118-L121 PolarHBondContact O-N 2.68Å; K119-L121 PolarHBondContact O-N 3.2Å; L121-E123 PolarHBondContact O-N 2.81Å; L121-E128 HydrophobicContact CD2-CB 3.92Å; L121-L129 HydrophobicContact CB-CD1 4.46Å; L121-H132 HydrophobicContact CD1-CB 3.63Å; L121-V181 WeakPolarHBondContact O-CG2 3.18Å |
| 122 | Y | 89.5 | Confident | 94 | Very high | 58 Ų | 58 | 61 Ų | 61 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -66.7 | -28.6 | 179 | -72.2 | -95.5 | 0 | 0 | 0 | 112.3 | M117 P118 K119 E120 N178 Y179 K180 V181 | M117-Y122 HydrophobicContact CB-CE2 3.93Å; P118-Y122 WeakPolarHBondContact O-CD2 3.36Å; K119-Y122 WeakPolarHBondContact O-CD2 3.47Å; K119-Y122 PolarHBondContact O-N 3.35Å; E120-Y122 VanDerWaalsContact C-N 3.3Å; E120-Y122 PolarHBondContact O-N 2.88Å; Y122-N178 HydrophobicContact CD1-CB 4.4Å; Y122-Y179 HydrophobicContact CD1-CD1 4.14Å; Y122-Y179 AromaticContact CD1-CD2 3.99Å; Y122-Y179 HydrophobicContact CD1-CD2 3.99Å; Y122-Y179 AromaticContact CD1-CE1 4Å; Y122-Y179 HydrophobicContact CD1-CE1 4Å; Y122-Y179 AromaticContact CD1-CE2 3.85Å; Y122-Y179 HydrophobicContact CD1-CE2 3.85Å; Y122-Y179 HydrophobicContact CD1-CG 4.14Å; Y122-Y179 AromaticContact CD1-CZ 3.85Å; Y122-Y179 HydrophobicContact CE1-CD2 4.15Å; Y122-Y179 HydrophobicContact CE1-CE1 4.14Å; Y122-Y179 AromaticContact CE1-CE2 3.57Å; Y122-Y179 HydrophobicContact CE1-CE2 3.57Å; Y122-Y179 AromaticContact CE1-CZ 3.56Å; Y122-K180 CarbonylContact O-C 3.42Å; Y122-K180 PolarHBondContact O-N 3.01Å; Y122-V181 PolarHBondContact O-N 2.94Å |
| 123 | E | 91.4 | Very high | 94.3 | Very high | 119 Ų | 119 | 56.6 Ų | 56.6 | 56% | 0.556 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -122 | 9 | 178.7 | -58.6 | -175.4 | -172 | 0 | 0 | 112.6 | E120 L121 K180 | E120-E123 PolarHBondContact O-N 2.8Å; L121-E123 PolarHBondContact O-N 2.81Å; E123-K180 HydrophobicContact CG-CB 4.45Å |
| 124 | G | 93.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 54 Ų | 54 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -74.6 | -162.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | E120 R182 | E120-G124 WeakPolarHBondContact O-CA 3.38Å; E120-G124 PolarHBondContact O-N 3.13Å; G124-R182 PolarHBondContact O-N 3.13Å |
| 125 | R | 96.2 | Very high | 94.6 | Very high | 143 Ų | 143 | 56.9 Ų | 56.9 | 54% | 0.54 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -89.2 | 147.6 | 173 | -63.3 | -177 | -68.5 | 165.6 | 1.7 | 110.6 | V127 E128 L129 | R125-V127 PolarHBondContact O-N 2.9Å; R125-E128 HydrophobicContact CB-CG 4.24Å; R125-E128 IonicContact CZ-OE1 3.14Å; R125-E128 PolarHBondContact N-OE2 2.74Å; R125-E128 IonicContact NE-OE1 2.74Å; R125-E128 PolarHBondContact NE-OE1 3.37Å; R125-E128 IonicContact NE-OE2 2.77Å; R125-E128 IonicContact NH2-OE1 3.58Å; R125-E128 PolarHBondContact NH2-OE1 3.26Å; R125-E128 WeakPolarHBondContact O-CB 3.19Å; R125-E128 PolarHBondContact O-N 3.38Å; R125-L129 PolarHBondContact O-N 3.29Å |
| 126 | A | 95.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.1 | -40.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E128 L129 F130 V181 R182 L184 F192 | A126-E128 VanDerWaalsContact C-N 3.35Å; A126-E128 PolarHBondContact O-N 3.17Å; A126-L129 PolarHBondContact O-N 3.38Å; A126-F130 VanDerWaalsContact O-CD2 3.23Å; A126-F130 WeakPolarHBondContact O-CD2 3.44Å; A126-F130 PolarHBondContact O-N 2.8Å; A126-V181 VanDerWaalsContact CA-CG1 3.5Å; A126-V181 HydrophobicContact CB-CG1 4.19Å; A126-R182 PolarHBondContact N-O 2.88Å; A126-L184 HydrophobicContact CB-CB 3.85Å; A126-L184 HydrophobicContact CB-CD1 4.25Å; A126-F192 HydrophobicContact CB-CD1 3.85Å; A126-F192 HydrophobicContact CB-CE1 3.6Å; A126-F192 HydrophobicContact CB-CZ 4.37Å |
| 127 | V | 96.3 | Very high | 94.9 | Very high | 58 Ų | 58 | 51.3 Ų | 51.3 | 35% | 0.352 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.3 | -46.8 | 177.3 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | R125 L129 F130 D131 F192 | R125-V127 PolarHBondContact O-N 2.9Å; V127-L129 PolarHBondContact O-N 3.16Å; V127-F130 PolarHBondContact O-N 2.87Å; V127-D131 WeakPolarHBondContact CG1-OD2 3.45Å; V127-D131 WeakPolarHBondContact O-CB 3.2Å; V127-D131 PolarHBondContact O-N 3.23Å; V127-F192 HydrophobicContact CG2-CE1 4.38Å |
| 128 | E | 96.7 | Very high | 95.1 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.2 | -38.8 | -179.4 | -63.6 | 160.4 | 174.2 | 0 | 0 | 112 | L121 R125 A126 H132 | L121-E128 HydrophobicContact CD2-CB 3.92Å; R125-E128 HydrophobicContact CB-CG 4.24Å; R125-E128 IonicContact CZ-OE1 3.14Å; R125-E128 PolarHBondContact N-OE2 2.74Å; R125-E128 IonicContact NE-OE1 2.74Å; R125-E128 PolarHBondContact NE-OE1 3.37Å; R125-E128 IonicContact NE-OE2 2.77Å; R125-E128 IonicContact NH2-OE1 3.58Å; R125-E128 PolarHBondContact NH2-OE1 3.26Å; R125-E128 WeakPolarHBondContact O-CB 3.19Å; R125-E128 PolarHBondContact O-N 3.38Å; A126-E128 VanDerWaalsContact C-N 3.35Å; A126-E128 PolarHBondContact O-N 3.17Å; E128-H132 PolarHBondContact O-N 3.32Å; E128-H132 VanDerWaalsContact O-N 3.15Å |
| 129 | L | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -49.5 | 175.2 | 173.4 | 64.6 | 0 | 0 | 0 | 111.3 | L85 M117 L121 R125 A126 V127 H132 V133 W175 V181 | L85-L129 HydrophobicContact CD2-CD2 4.44Å; M117-L129 HydrophobicContact CE-CD1 3.43Å; M117-L129 VanDerWaalsContact CE-CD1 3.43Å; L121-L129 HydrophobicContact CB-CD1 4.46Å; R125-L129 PolarHBondContact O-N 3.29Å; A126-L129 PolarHBondContact O-N 3.38Å; V127-L129 PolarHBondContact O-N 3.16Å; L129-H132 PolarHBondContact O-N 3.35Å; L129-V133 WeakPolarHBondContact O-CG2 3.38Å; L129-V133 PolarHBondContact O-N 3Å; L129-W175 HydrophobicContact CD2-CH2 4.43Å; L129-V181 HydrophobicContact CB-CG1 4.38Å; L129-V181 HydrophobicContact CD2-CG1 4.28Å; L129-V181 HydrophobicContact CD2-CG2 3.87Å |
| 130 | F | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.6 | -28.4 | -176.5 | -75.5 | -74.1 | 0 | 0 | 0 | 113.1 | A126 V127 V133 S134 F156 L184 V189 F192 L193 A196 | A126-F130 VanDerWaalsContact O-CD2 3.23Å; A126-F130 WeakPolarHBondContact O-CD2 3.44Å; A126-F130 PolarHBondContact O-N 2.8Å; V127-F130 PolarHBondContact O-N 2.87Å; F130-V133 PolarHBondContact O-N 3.28Å; F130-S134 VanDerWaalsContact O-CB 3.24Å; F130-S134 WeakPolarHBondContact O-CB 3.38Å; F130-S134 PolarHBondContact O-N 3.02Å; F130-F156 AromaticContact CE1-CE1 3.92Å; F130-F156 HydrophobicContact CE1-CE1 3.92Å; F130-F156 HydrophobicContact CE1-CZ 4.02Å; F130-L184 HydrophobicContact CE2-CD1 3.87Å; F130-L184 HydrophobicContact CE2-CD2 3.62Å; F130-L184 HydrophobicContact CE2-CG 4.41Å; F130-L184 HydrophobicContact CZ-CD2 4.04Å; F130-V189 HydrophobicContact CE1-CG1 4.16Å; F130-V189 HydrophobicContact CZ-CG1 3.72Å; F130-F192 HydrophobicContact CD2-CB 3.59Å; F130-F192 HydrophobicContact CD2-CD1 4.25Å; F130-F192 HydrophobicContact CD2-CG 4.28Å; F130-F192 HydrophobicContact CE2-CB 3.83Å; F130-F192 HydrophobicContact CE2-CG 4.49Å; F130-F192 HydrophobicContact CG-CB 4.07Å; F130-F192 HydrophobicContact CZ-CB 4.49Å; F130-L193 HydrophobicContact CD1-CB 3.97Å; F130-L193 HydrophobicContact CD1-CD1 4.24Å; F130-L193 HydrophobicContact CE1-CB 4.2Å; F130-A196 HydrophobicContact CB-CB 3.71Å; F130-A196 VanDerWaalsContact O-CB 3.31Å; F130-A196 WeakPolarHBondContact O-CB 3.33Å |
| 131 | D | 97.4 | Very high | 95.9 | Very high | 44 Ų | 44 | 39.5 Ų | 39.5 | 24% | 0.235 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 169.5 | -70.2 | -15.9 | 0 | 0 | 0 | 110 | V127 V133 S134 E135 R199 | V127-D131 WeakPolarHBondContact CG1-OD2 3.45Å; V127-D131 WeakPolarHBondContact O-CB 3.2Å; V127-D131 PolarHBondContact O-N 3.23Å; D131-V133 PolarHBondContact O-N 2.96Å; D131-S134 PolarHBondContact O-N 3.16Å; D131-E135 WeakPolarHBondContact O-CB 3.36Å; D131-E135 WeakPolarHBondContact O-CG 3.39Å; D131-E135 PolarHBondContact O-N 3.21Å; D131-R199 IonicContact OD1-CZ 3.45Å; D131-R199 VanDerWaalsContact OD1-CZ 3.23Å; D131-R199 IonicContact OD1-NE 3.31Å; D131-R199 PolarHBondContact OD1-NE 3.13Å; D131-R199 IonicContact OD1-NH2 2.75Å; D131-R199 PolarHBondContact OD1-NH2 3.44Å; D131-R199 IonicContact OD2-NE 3.44Å |
| 132 | H | 97.4 | Very high | 95.9 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 18% | 0.176 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 174.6 | -178.9 | 85.1 | 0 | 0 | 0 | 113 | P116 L121 E128 L129 S136 | P116-H132 PolarHBondContact O-CE1 2.85Å; P116-H132 PolarHBondContact O-NE2 2.96Å; L121-H132 HydrophobicContact CD1-CB 3.63Å; E128-H132 PolarHBondContact O-N 3.32Å; E128-H132 VanDerWaalsContact O-N 3.15Å; L129-H132 PolarHBondContact O-N 3.35Å; H132-S136 WeakPolarHBondContact O-CB 3.47Å; H132-S136 PolarHBondContact O-N 2.98Å; H132-S136 PolarHBondContact O-OG 2.91Å |
| 133 | V | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 175.7 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | L83 L85 F90 L129 F130 D131 S136 L137 L193 | L83-V133 HydrophobicContact CD1-CG1 3.88Å; L85-V133 HydrophobicContact CD2-CG2 4.17Å; F90-V133 HydrophobicContact CE1-CG2 4.3Å; F90-V133 HydrophobicContact CE2-CG1 4.24Å; F90-V133 HydrophobicContact CE2-CG2 4.31Å; F90-V133 HydrophobicContact CZ-CB 4.16Å; F90-V133 HydrophobicContact CZ-CG1 3.87Å; F90-V133 HydrophobicContact CZ-CG2 4.04Å; L129-V133 WeakPolarHBondContact O-CG2 3.38Å; L129-V133 PolarHBondContact O-N 3Å; F130-V133 PolarHBondContact O-N 3.28Å; D131-V133 PolarHBondContact O-N 2.96Å; V133-S136 PolarHBondContact O-N 2.99Å; V133-L137 WeakPolarHBondContact O-CB 3.31Å; V133-L137 PolarHBondContact O-N 2.79Å; V133-L193 HydrophobicContact CG1-CD1 3.91Å |
| 134 | S | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.2 | -44.3 | 179.7 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | F130 D131 S136 L137 K138 A196 I197 T200 M203 | F130-S134 VanDerWaalsContact O-CB 3.24Å; F130-S134 WeakPolarHBondContact O-CB 3.38Å; F130-S134 PolarHBondContact O-N 3.02Å; D131-S134 PolarHBondContact O-N 3.16Å; S134-S136 VanDerWaalsContact C-N 3.33Å; S134-S136 PolarHBondContact O-N 2.86Å; S134-L137 WeakPolarHBondContact O-CB 3.44Å; S134-L137 PolarHBondContact O-N 3.02Å; S134-K138 PolarHBondContact O-N 2.9Å; S134-A196 PolarHBondContact OG-O 3.36Å; S134-I197 VanDerWaalsContact OG-CA 3.31Å; S134-I197 WeakPolarHBondContact OG-CA 3.3Å; S134-I197 PolarHBondContact OG-N 2.88Å; S134-T200 WeakPolarHBondContact CB-OG1 3.44Å; S134-T200 VanDerWaalsContact OG-CB 3.26Å; S134-T200 WeakPolarHBondContact OG-CB 3.5Å; S134-T200 PolarHBondContact OG-OG1 3.11Å; S134-M203 WeakPolarHBondContact OG-CE 3.33Å |
| 135 | E | 97.8 | Very high | 96.2 | Very high | 121 Ų | 121 | 50.7 Ų | 50.7 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.5 | -41.9 | 174.4 | -74.1 | 178.1 | 175.5 | 0 | 0 | 111.9 | D131 L137 K138 D139 T200 | D131-E135 WeakPolarHBondContact O-CB 3.36Å; D131-E135 WeakPolarHBondContact O-CG 3.39Å; D131-E135 PolarHBondContact O-N 3.21Å; E135-L137 VanDerWaalsContact C-N 3.34Å; E135-L137 PolarHBondContact O-N 3.1Å; E135-K138 PolarHBondContact O-N 3.29Å; E135-D139 WeakPolarHBondContact O-CB 3.43Å; E135-D139 PolarHBondContact O-N 3.1Å; E135-T200 HydrophobicContact CG-CG2 4.38Å |
| 136 | S | 97.7 | Very high | 96 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 175.6 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | Y115 H132 V133 S134 F140 | Y115-S136 WeakPolarHBondContact CD1-OG 3.3Å; Y115-S136 PolarHBondContact OH-O 3.47Å; Y115-S136 VanDerWaalsContact OH-O 3.1Å; H132-S136 WeakPolarHBondContact O-CB 3.47Å; H132-S136 PolarHBondContact O-N 2.98Å; H132-S136 PolarHBondContact O-OG 2.91Å; V133-S136 PolarHBondContact O-N 2.99Å; S134-S136 VanDerWaalsContact C-N 3.33Å; S134-S136 PolarHBondContact O-N 2.86Å; S136-F140 PolarHBondContact O-N 3.49Å |
| 137 | L | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 173.9 | 172.2 | 59.4 | 0 | 0 | 0 | 110.9 | V81 L83 V92 V133 S134 E135 D139 F140 L141 L154 I197 M203 I205 | V81-L137 HydrophobicContact CG1-CD1 3.63Å; L83-L137 HydrophobicContact CD2-CB 4.44Å; L83-L137 HydrophobicContact CD2-CD1 4.33Å; V92-L137 HydrophobicContact CG1-CD1 3.89Å; V133-L137 WeakPolarHBondContact O-CB 3.31Å; V133-L137 PolarHBondContact O-N 2.79Å; S134-L137 WeakPolarHBondContact O-CB 3.44Å; S134-L137 PolarHBondContact O-N 3.02Å; E135-L137 VanDerWaalsContact C-N 3.34Å; E135-L137 PolarHBondContact O-N 3.1Å; L137-D139 PolarHBondContact O-N 3.35Å; L137-F140 WeakPolarHBondContact O-CB 3.28Å; L137-F140 PolarHBondContact O-N 2.81Å; L137-L141 HydrophobicContact CD1-CD1 4.07Å; L137-L141 HydrophobicContact CD1-CD2 4.42Å; L137-L141 HydrophobicContact CD1-CG 4.08Å; L137-L141 HydrophobicContact CG-CD1 4.11Å; L137-L141 VanDerWaalsContact O-CG 3.29Å; L137-L141 WeakPolarHBondContact O-CG 3.42Å; L137-L141 PolarHBondContact O-N 2.72Å; L137-L154 HydrophobicContact CD1-CD1 4.23Å; L137-L154 HydrophobicContact CD2-CD1 3.61Å; L137-I197 HydrophobicContact CD2-CD1 4.28Å; L137-I197 HydrophobicContact CD2-CG1 4.37Å; L137-M203 HydrophobicContact CD2-SD 4.22Å; L137-M203 HydrophobicContact CG-SD 4.17Å; L137-I205 HydrophobicContact CD2-CD1 4.25Å; L137-I205 HydrophobicContact CD2-CG1 4.11Å |
| 138 | K | 96.8 | Very high | 95.3 | Very high | 64 Ų | 64 | 47.2 Ų | 47.2 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.3 | -47.7 | 177.3 | -176.8 | 173.8 | 176.6 | 175.3 | 0 | 112.3 | S134 E135 F140 L141 H142 T200 D202 M203 | S134-K138 PolarHBondContact O-N 2.9Å; E135-K138 PolarHBondContact O-N 3.29Å; K138-F140 VanDerWaalsContact C-N 3.29Å; K138-F140 PolarHBondContact O-N 3.01Å; K138-L141 PolarHBondContact O-N 3.49Å; K138-H142 PolarHBondContact O-N 3.2Å; K138-T200 HydrophobicContact CB-CG2 4.27Å; K138-T200 HydrophobicContact CD-CG2 3.75Å; K138-D202 WeakPolarHBondContact CE-OD2 3.35Å; K138-D202 VanDerWaalsContact NZ-CB 3.3Å; K138-D202 IonicContact NZ-OD2 2.71Å; K138-D202 PolarHBondContact NZ-OD2 3.5Å; K138-M203 HydrophobicContact CB-CE 3.75Å; K138-M203 HydrophobicContact CB-SD 4.07Å; K138-M203 HydrophobicContact CD-CE 4.41Å; K138-M203 HydrophobicContact CG-CE 4.42Å |
| 139 | D | 97.1 | Very high | 94.8 | Very high | 73 Ų | 73 | 52.5 Ų | 52.5 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.3 | -44.1 | 176.5 | 172 | 78.7 | 0 | 0 | 0 | 111.5 | K113 Y115 E135 L137 H142 E143 | K113-D139 IonicContact NZ-OD2 3.57Å; K113-D139 PolarHBondContact NZ-OD2 3.41Å; Y115-D139 HydrophobicContact CE1-CB 4.31Å; Y115-D139 VanDerWaalsContact CE1-OD2 3.23Å; Y115-D139 WeakPolarHBondContact CE1-OD2 3.19Å; Y115-D139 PolarHBondContact OH-OD2 3.12Å; E135-D139 WeakPolarHBondContact O-CB 3.43Å; E135-D139 PolarHBondContact O-N 3.1Å; L137-D139 PolarHBondContact O-N 3.35Å; D139-H142 PolarHBondContact O-N 2.7Å; D139-E143 WeakPolarHBondContact O-CB 3.22Å; D139-E143 PolarHBondContact O-N 2.84Å |
| 140 | F | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 176.9 | -176.8 | -98.7 | 0 | 0 | 0 | 112.4 | V92 R94 K113 Y115 S136 L137 K138 H142 E143 K144 | V92-F140 HydrophobicContact CB-CB 4.07Å; V92-F140 HydrophobicContact CB-CD1 4.35Å; V92-F140 HydrophobicContact CB-CD2 4.21Å; V92-F140 HydrophobicContact CB-CG 3.95Å; V92-F140 HydrophobicContact CG1-CB 3.73Å; V92-F140 HydrophobicContact CG1-CD1 3.52Å; V92-F140 HydrophobicContact CG1-CD2 4.25Å; V92-F140 HydrophobicContact CG1-CE1 4.15Å; V92-F140 HydrophobicContact CG1-CG 3.56Å; R94-F140 HydrophobicContact CB-CE1 3.94Å; R94-F140 HydrophobicContact CB-CZ 4.07Å; K113-F140 HydrophobicContact CB-CD2 3.66Å; K113-F140 HydrophobicContact CB-CE2 3.88Å; K113-F140 HydrophobicContact CD-CD2 4.46Å; Y115-F140 HydrophobicContact CE2-CB 4.4Å; Y115-F140 WeakPolarHBondContact OH-CA 3.29Å; Y115-F140 WeakPolarHBondContact OH-CB 3.24Å; Y115-F140 PolarHBondContact OH-N 2.64Å; Y115-F140 VanDerWaalsContact OH-N 3.15Å; S136-F140 PolarHBondContact O-N 3.49Å; L137-F140 WeakPolarHBondContact O-CB 3.28Å; L137-F140 PolarHBondContact O-N 2.81Å; K138-F140 VanDerWaalsContact C-N 3.29Å; K138-F140 PolarHBondContact O-N 3.01Å; F140-H142 VanDerWaalsContact C-N 3.32Å; F140-H142 PolarHBondContact O-N 3.41Å; F140-E143 PolarHBondContact O-N 3.45Å; F140-K144 HydrophobicContact CD1-CG 4.28Å; F140-K144 HydrophobicContact CD2-CG 4.32Å; F140-K144 HydrophobicContact CE1-CG 3.89Å; F140-K144 HydrophobicContact CE2-CD 4.46Å; F140-K144 HydrophobicContact CE2-CG 3.94Å; F140-K144 HydrophobicContact CG-CG 4.49Å; F140-K144 HydrophobicContact CZ-CG 3.71Å; F140-K144 WeakPolarHBondContact O-CG 3.4Å; F140-K144 PolarHBondContact O-N 2.88Å |
| 141 | L | 95.1 | Very high | 94.3 | Very high | 9 Ų | 9 | 63.4 Ų | 63.4 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | -179.8 | -66.1 | 171.6 | 0 | 0 | 0 | 111.4 | V81 L137 K138 K144 N145 M146 M203 I205 | V81-L141 HydrophobicContact CG2-CD2 4.05Å; L137-L141 HydrophobicContact CD1-CD1 4.07Å; L137-L141 HydrophobicContact CD1-CD2 4.42Å; L137-L141 HydrophobicContact CD1-CG 4.08Å; L137-L141 HydrophobicContact CG-CD1 4.11Å; L137-L141 VanDerWaalsContact O-CG 3.29Å; L137-L141 WeakPolarHBondContact O-CG 3.42Å; L137-L141 PolarHBondContact O-N 2.72Å; K138-L141 PolarHBondContact O-N 3.49Å; L141-K144 PolarHBondContact O-N 3.27Å; L141-N145 PolarHBondContact O-N 2.94Å; L141-M146 HydrophobicContact CB-CB 4.29Å; L141-M146 HydrophobicContact CD2-CB 4.01Å; L141-M146 HydrophobicContact CD2-CE 3.64Å; L141-M146 HydrophobicContact CD2-CG 4.36Å; L141-M146 HydrophobicContact CD2-SD 3.59Å; L141-M146 VanDerWaalsContact CD2-SD 3.59Å; L141-M146 PolarHBondContact O-N 3.5Å; L141-M203 HydrophobicContact CD1-CB 3.92Å; L141-M203 HydrophobicContact CD1-SD 4.18Å; L141-I205 HydrophobicContact CD1-CD1 3.82Å |
| 142 | H | 94.4 | Very high | 94.1 | Very high | 152 Ų | 152 | 61.6 Ų | 61.6 | 70% | 0.704 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64 | -48 | 176.3 | -175.3 | -87.2 | 0 | 0 | 0 | 111.4 | K138 D139 F140 K144 N145 | K138-H142 PolarHBondContact O-N 3.2Å; D139-H142 PolarHBondContact O-N 2.7Å; F140-H142 VanDerWaalsContact C-N 3.32Å; F140-H142 PolarHBondContact O-N 3.41Å; H142-K144 VanDerWaalsContact C-N 3.27Å; H142-K144 PolarHBondContact O-N 3.31Å; H142-N145 PolarHBondContact O-N 2.92Å; H142-N145 VanDerWaalsContact O-N 3.1Å |
| 143 | E | 95.2 | Very high | 94 | Very high | 87 Ų | 87 | 61 Ų | 61 | 41% | 0.407 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.5 | -36.8 | 177.7 | -168.9 | -165.8 | 121.2 | 0 | 0 | 112.5 | K113 D139 F140 N145 | K113-E143 VanDerWaalsContact CD-OE2 3.27Å; K113-E143 WeakPolarHBondContact CD-OE2 3.34Å; K113-E143 WeakPolarHBondContact CE-OE2 3.12Å; K113-E143 IonicContact NZ-OE2 3.61Å; K113-E143 PolarHBondContact NZ-OE2 2.95Å; D139-E143 WeakPolarHBondContact O-CB 3.22Å; D139-E143 PolarHBondContact O-N 2.84Å; F140-E143 PolarHBondContact O-N 3.45Å; E143-N145 VanDerWaalsContact C-N 3.28Å; E143-N145 PolarHBondContact O-N 3.42Å |
| 144 | K | 93.4 | Very high | 93.9 | Very high | 48 Ų | 48 | 61 Ų | 61 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 10.1 | 179.8 | -59.1 | -45.4 | -177.2 | -156.7 | 0 | 114.1 | F140 L141 H142 M146 | F140-K144 HydrophobicContact CD1-CG 4.28Å; F140-K144 HydrophobicContact CD2-CG 4.32Å; F140-K144 HydrophobicContact CE1-CG 3.89Å; F140-K144 HydrophobicContact CE2-CD 4.46Å; F140-K144 HydrophobicContact CE2-CG 3.94Å; F140-K144 HydrophobicContact CG-CG 4.49Å; F140-K144 HydrophobicContact CZ-CG 3.71Å; F140-K144 WeakPolarHBondContact O-CG 3.4Å; F140-K144 PolarHBondContact O-N 2.88Å; L141-K144 PolarHBondContact O-N 3.27Å; H142-K144 VanDerWaalsContact C-N 3.27Å; H142-K144 PolarHBondContact O-N 3.31Å; K144-M146 HydrophobicContact CB-CG 4.17Å; K144-M146 HydrophobicContact CB-SD 4.4Å; K144-M146 PolarHBondContact O-N 2.81Å |
| 145 | N | 91.9 | Very high | 93.8 | Very high | 151 Ų | 151 | 61 Ų | 61 | 81% | 0.807 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 40.3 | -179 | -59.5 | -59.4 | 0 | 0 | 0 | 112.7 | L141 H142 E143 | L141-N145 PolarHBondContact O-N 2.94Å; H142-N145 PolarHBondContact O-N 2.92Å; H142-N145 VanDerWaalsContact O-N 3.1Å; E143-N145 VanDerWaalsContact C-N 3.28Å; E143-N145 PolarHBondContact O-N 3.42Å |
| 146 | M | 91.1 | Very high | 93.7 | Very high | 16 Ų | 16 | 55.2 Ų | 55.2 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | trans | -85 | 124.9 | 176.2 | -66.7 | -176.4 | 58 | 0 | 0 | 109.3 | V81 R94 L141 K144 H152 | V81-M146 HydrophobicContact CG2-CE 3.69Å; R94-M146 HydrophobicContact CG-SD 4.3Å; L141-M146 HydrophobicContact CB-CB 4.29Å; L141-M146 HydrophobicContact CD2-CB 4.01Å; L141-M146 HydrophobicContact CD2-CE 3.64Å; L141-M146 HydrophobicContact CD2-CG 4.36Å; L141-M146 HydrophobicContact CD2-SD 3.59Å; L141-M146 VanDerWaalsContact CD2-SD 3.59Å; L141-M146 PolarHBondContact O-N 3.5Å; K144-M146 HydrophobicContact CB-CG 4.17Å; K144-M146 HydrophobicContact CB-SD 4.4Å; K144-M146 PolarHBondContact O-N 2.81Å; M146-H152 HydrophobicContact CE-CB 4.29Å; M146-H152 WeakPolarHBondContact CE-ND1 3.49Å | ||
| 147 | S | 89.2 | Confident | 93.6 | Very high | 55 Ų | 55 | 54.9 Ų | 54.9 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | trans | -58.8 | 129.1 | -176.9 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | E149 K150 H152 | S147-E149 VanDerWaalsContact C-N 3.27Å; S147-E149 PolarHBondContact O-N 3.12Å; S147-E149 PolarHBondContact OG-N 3.43Å; S147-K150 PolarHBondContact O-N 2.85Å; S147-H152 PolarHBondContact O-NE2 3.23Å | ||
| 148 | P | 86.8 | Confident | 93.6 | Very high | 60 Ų | 60 | 55 Ų | 55 | 39% | 0.39 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -22.1 | 178.3 | 29 | -34.4 | 0 | 0 | 0 | 112.8 | D204 | P148-D204 PolarHBondContact O-N 2.81Š|
| 149 | E | 87.1 | Confident | 93.4 | Very high | 177 Ų | 177 | 52 Ų | 52 | 83% | 0.827 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -15.6 | 178.3 | -61.4 | 178.8 | 179.8 | 0 | 0 | 113 | S147 | S147-E149 VanDerWaalsContact C-N 3.27Å; S147-E149 PolarHBondContact O-N 3.12Å; S147-E149 PolarHBondContact OG-N 3.43Å |
| 150 | K | 90.6 | Very high | 93.3 | Very high | 121 Ų | 121 | 48.7 Ų | 48.7 | 53% | 0.526 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -89.2 | 126.6 | 178.9 | -177.6 | 178.5 | 178.3 | -179.8 | 0 | 109.5 | S147 H152 | S147-K150 PolarHBondContact O-N 2.85Å; K150-H152 PolarHBondContact O-CD2 3.15Å; K150-H152 PolarHBondContact O-N 3.32Å; K150-H152 PolarHBondContact O-NE2 3.45Å |
| 151 | K | 93.1 | Very high | 93.2 | Very high | 108 Ų | 108 | 49 Ų | 49 | 47% | 0.47 | 24% | 0.244 | S | C | . | . | trans | -60.5 | 119 | 168.9 | -158 | 175 | -155.4 | -151.8 | 0 | 111.5 | D204 D206 | K151-D204 WeakPolarHBondContact CA-O 3.15Å; K151-D204 WeakPolarHBondContact CA-OD2 3.38Å; K151-D204 VanDerWaalsContact CB-OD2 3.23Å; K151-D204 WeakPolarHBondContact CB-OD2 3.43Å; K151-D204 PolarHBondContact N-OD2 3.23Å; K151-D206 HydrophobicContact CD-CB 3.99Å; K151-D206 WeakPolarHBondContact CE-OD2 3.32Å; K151-D206 HydrophobicContact CG-CB 3.98Å; K151-D206 IonicContact NZ-OD1 3.23Å; K151-D206 PolarHBondContact NZ-OD1 2.69Å; K151-D206 IonicContact NZ-OD2 3.1Å; K151-D206 PolarHBondContact NZ-OD2 3.36Å | ||
| 152 | H | 93.6 | Very high | 93.3 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.2 | 176.1 | -56.9 | -73.1 | 0 | 0 | 0 | 111.1 | V81 M146 S147 K150 L154 D204 I205 D206 | V81-H152 HydrophobicContact CG2-CB 4.03Å; M146-H152 HydrophobicContact CE-CB 4.29Å; M146-H152 WeakPolarHBondContact CE-ND1 3.49Å; S147-H152 PolarHBondContact O-NE2 3.23Å; K150-H152 PolarHBondContact O-CD2 3.15Å; K150-H152 PolarHBondContact O-N 3.32Å; K150-H152 PolarHBondContact O-NE2 3.45Å; H152-L154 PolarHBondContact O-N 2.77Å; H152-D204 PolarHBondContact N-O 3.38Å; H152-I205 HydrophobicContact CB-CD1 4.09Å; H152-D206 PolarHBondContact O-N 3.36Å |
| 153 | P | 93.9 | Very high | 93.3 | Very high | 25 Ų | 25 | 46.2 Ų | 46.2 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 127.6 | 176.3 | 30 | -32.9 | 0 | 0 | 0 | 110.3 | Q79 F80 V81 D206 L208 | Q79-P153 WeakPolarHBondContact O-CG 3.37Å; F80-P153 WeakPolarHBondContact CA-O 3.43Å; F80-P153 HydrophobicContact CD1-CB 3.96Å; F80-P153 HydrophobicContact CD1-CG 3.77Å; F80-P153 HydrophobicContact CE1-CB 4.35Å; F80-P153 HydrophobicContact CE1-CG 4.17Å; V81-P153 PolarHBondContact N-O 3.35Å; P153-D206 CarbonylContact C-O 3.42Å; P153-D206 WeakPolarHBondContact CA-O 3.13Å; P153-L208 HydrophobicContact CB-CD1 3.39Å; P153-L208 HydrophobicContact CB-CG 3.92Å |
| 154 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 135.7 | -176.7 | -173 | 148.8 | 0 | 0 | 0 | 111.2 | V81 L83 L137 H152 F156 L193 I205 D206 V207 L208 | V81-L154 HydrophobicContact CB-CB 4.48Å; V81-L154 HydrophobicContact CB-CD1 4.48Å; V81-L154 HydrophobicContact CB-CG 4.45Å; V81-L154 HydrophobicContact CG1-CD1 4.11Å; V81-L154 HydrophobicContact CG1-CG 4.45Å; V81-L154 CarbonylContact O-C 3.54Å; V81-L154 VanDerWaalsContact O-CA 3.24Å; V81-L154 WeakPolarHBondContact O-CA 3.38Å; L83-L154 HydrophobicContact CD1-CD1 3.89Å; L83-L154 HydrophobicContact CD1-CD2 3.98Å; L83-L154 HydrophobicContact CD1-CG 4.48Å; L83-L154 HydrophobicContact CG-CD1 3.93Å; L83-L154 HydrophobicContact CG-CD2 4.16Å; L83-L154 HydrophobicContact CG-CG 4.35Å; L137-L154 HydrophobicContact CD1-CD1 4.23Å; L137-L154 HydrophobicContact CD2-CD1 3.61Å; H152-L154 PolarHBondContact O-N 2.77Å; L154-F156 HydrophobicContact CD2-CB 4.06Å; L154-L193 HydrophobicContact CD2-CD2 4.21Å; L154-I205 HydrophobicContact CB-CG2 3.61Å; L154-I205 HydrophobicContact CD1-CG2 3.67Å; L154-I205 HydrophobicContact CG-CG2 4.23Å; L154-D206 PolarHBondContact N-O 2.72Å; L154-V207 HydrophobicContact CD2-CG1 4.16Å; L154-V207 HydrophobicContact CD2-CG2 4.23Å; L154-L208 PolarHBondContact O-N 3.23Å |
| 155 | A | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V81 A82 L83 A209 A457 A461 | V81-A155 PolarHBondContact O-N 2.82Å; A82-A155 CarbonylContact C-O 3.52Å; A82-A155 VanDerWaalsContact CA-O 3.23Å; A82-A155 WeakPolarHBondContact CA-O 3.38Å; L83-A155 PolarHBondContact N-O 3.41Å; A155-A209 CarbonylContact C-O 3.11Å; A155-A209 WeakPolarHBondContact CA-O 3.36Å; A155-A209 HydrophobicContact CB-CB 4.49Å; A155-A457 HydrophobicContact CB-CB 3.8Å; A155-A457 WeakPolarHBondContact CB-O 3.3Å; A155-A461 HydrophobicContact CB-CB 4.06Å |
| 156 | F | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 108.2 | -174.4 | -172.8 | -166.9 | 0 | 0 | 0 | 111.2 | L83 L85 F130 L154 F158 V189 L193 A209 M210 V211 | L83-F156 HydrophobicContact CB-CD2 3.56Å; L83-F156 HydrophobicContact CB-CE2 4.01Å; L83-F156 HydrophobicContact CB-CG 4.39Å; L83-F156 HydrophobicContact CD1-CD2 4.26Å; L83-F156 HydrophobicContact CD1-CE2 4.5Å; L85-F156 HydrophobicContact CB-CE2 3.79Å; L85-F156 HydrophobicContact CB-CZ 4.26Å; L85-F156 HydrophobicContact CD2-CE2 4.4Å; L85-F156 HydrophobicContact CD2-CZ 4.06Å; F130-F156 AromaticContact CE1-CE1 3.92Å; F130-F156 HydrophobicContact CE1-CE1 3.92Å; F130-F156 HydrophobicContact CE1-CZ 4.02Å; L154-F156 HydrophobicContact CD2-CB 4.06Å; F156-F158 HydrophobicContact CD2-CB 4.44Å; F156-F158 HydrophobicContact CE1-CB 4.41Å; F156-F158 HydrophobicContact CE1-CD2 4.14Å; F156-F158 HydrophobicContact CE2-CB 4.25Å; F156-F158 HydrophobicContact CE2-CD2 4.13Å; F156-F158 HydrophobicContact CZ-CB 4.24Å; F156-F158 AromaticContact CZ-CD2 3.6Å; F156-F158 HydrophobicContact CZ-CD2 3.6Å; F156-F158 HydrophobicContact CZ-CE2 4.37Å; F156-F158 HydrophobicContact CZ-CG 4.28Å; F156-F158 PolarHBondContact O-N 3.45Å; F156-V189 HydrophobicContact CD1-CG1 4.31Å; F156-V189 HydrophobicContact CE1-CG1 3.58Å; F156-V189 HydrophobicContact CZ-CG1 4.41Å; F156-L193 HydrophobicContact CD1-CD2 3.69Å; F156-L193 HydrophobicContact CE1-CD2 4.04Å; F156-L193 HydrophobicContact CG-CD2 4.19Å; F156-A209 PolarHBondContact N-O 3.46Å; F156-M210 HydrophobicContact CB-CB 4.47Å; F156-M210 HydrophobicContact CB-CG 4.45Å; F156-M210 HydrophobicContact CD1-CG 4.36Å; F156-M210 CarbonylContact O-C 3.18Å; F156-M210 VanDerWaalsContact O-CA 3.23Å; F156-M210 WeakPolarHBondContact O-CA 3.29Å; F156-V211 PolarHBondContact O-N 3.39Å |
| 157 | T | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 118.2 | 166.3 | -43.9 | 0 | 0 | 0 | 0 | 109.1 | L83 L85 V211 D213 A216 A457 | L83-T157 WeakPolarHBondContact O-CA 3.5Å; L83-T157 WeakPolarHBondContact O-CB 3.2Å; L83-T157 PolarHBondContact O-N 3.36Å; L83-T157 PolarHBondContact O-OG1 2.96Å; L85-T157 PolarHBondContact N-O 2.92Å; T157-V211 CarbonylContact C-O 3.41Å; T157-V211 VanDerWaalsContact CA-O 3.3Å; T157-V211 WeakPolarHBondContact CA-O 3.38Å; T157-D213 HydrophobicContact CG2-CB 3.97Å; T157-A216 HydrophobicContact CG2-CB 4.28Å; T157-A457 WeakPolarHBondContact OG1-CB 3.43Å |
| 158 | F | 95.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 104.3 | 179.5 | -171.7 | -106.5 | 0 | 0 | 0 | 109.8 | L85 F156 F160 L172 W175 L184 V189 M210 V211 | L85-F158 HydrophobicContact CB-CD2 4.41Å; L85-F158 HydrophobicContact CD2-CD2 4.11Å; L85-F158 HydrophobicContact CD2-CE2 3.98Å; L85-F158 HydrophobicContact CG-CD2 4.45Å; L85-F158 WeakPolarHBondContact O-CA 3.39Å; F156-F158 HydrophobicContact CD2-CB 4.44Å; F156-F158 HydrophobicContact CE1-CB 4.41Å; F156-F158 HydrophobicContact CE1-CD2 4.14Å; F156-F158 HydrophobicContact CE2-CB 4.25Å; F156-F158 HydrophobicContact CE2-CD2 4.13Å; F156-F158 HydrophobicContact CZ-CB 4.24Å; F156-F158 AromaticContact CZ-CD2 3.6Å; F156-F158 HydrophobicContact CZ-CD2 3.6Å; F156-F158 HydrophobicContact CZ-CE2 4.37Å; F156-F158 HydrophobicContact CZ-CG 4.28Å; F156-F158 PolarHBondContact O-N 3.45Å; F158-F160 HydrophobicContact CD1-CB 4.01Å; F158-F160 AromaticContact CD1-CD2 3.67Å; F158-F160 HydrophobicContact CD1-CD2 3.67Å; F158-F160 HydrophobicContact CD1-CG 4.32Å; F158-F160 AromaticContact CD2-CD2 3.83Å; F158-F160 HydrophobicContact CD2-CD2 3.83Å; F158-F160 HydrophobicContact CD2-CE2 4.11Å; F158-F160 HydrophobicContact CE1-CB 3.69Å; F158-F160 AromaticContact CE1-CD2 3.4Å; F158-F160 HydrophobicContact CE1-CD2 3.4Å; F158-F160 VanDerWaalsContact CE1-CD2 3.4Å; F158-F160 HydrophobicContact CE1-CE2 4.38Å; F158-F160 AromaticContact CE1-CG 3.9Å; F158-F160 HydrophobicContact CE1-CG 3.9Å; F158-F160 AromaticContact CE2-CD2 3.54Å; F158-F160 HydrophobicContact CE2-CD2 3.54Å; F158-F160 AromaticContact CE2-CE2 3.72Å; F158-F160 HydrophobicContact CE2-CE2 3.72Å; F158-F160 AromaticContact CG-CD2 3.9Å; F158-F160 HydrophobicContact CG-CD2 3.9Å; F158-F160 HydrophobicContact CZ-CB 4.35Å; F158-F160 AromaticContact CZ-CD2 3.33Å; F158-F160 HydrophobicContact CZ-CD2 3.33Å; F158-F160 AromaticContact CZ-CE2 3.89Å; F158-F160 HydrophobicContact CZ-CE2 3.89Å; F158-F160 HydrophobicContact CZ-CG 4.08Å; F158-F160 PolarHBondContact O-N 3.23Å; F158-L172 HydrophobicContact CE1-CD1 4.12Å; F158-W175 HydrophobicContact CE2-CH2 4.3Å; F158-W175 HydrophobicContact CE2-CZ3 4.4Å; F158-W175 AromaticContact CZ-CH2 3.74Å; F158-W175 HydrophobicContact CZ-CH2 3.74Å; F158-W175 AromaticContact CZ-CZ3 3.82Å; F158-W175 HydrophobicContact CZ-CZ3 3.82Å; F158-L184 HydrophobicContact CZ-CD2 4.35Å; F158-V189 HydrophobicContact CD1-CG1 4.28Å; F158-V189 HydrophobicContact CD1-CG2 4.36Å; F158-V189 HydrophobicContact CD2-CG1 4.23Å; F158-V189 HydrophobicContact CE1-CG1 4.19Å; F158-V189 HydrophobicContact CE1-CG2 3.76Å; F158-V189 HydrophobicContact CE2-CG1 4.19Å; F158-V189 HydrophobicContact CG-CG1 4.27Å; F158-V189 HydrophobicContact CZ-CG1 4.15Å; F158-V189 HydrophobicContact CZ-CG2 4.05Å; F158-M210 HydrophobicContact CB-CE 3.44Å; F158-M210 VanDerWaalsContact CB-CE 3.44Å; F158-M210 HydrophobicContact CB-CG 4.3Å; F158-M210 HydrophobicContact CD1-CE 3.15Å; F158-M210 HydrophobicContact CE1-CE 3.99Å; F158-M210 HydrophobicContact CG-CE 3.51Å; F158-V211 PolarHBondContact N-O 3.24Å |
| 159 | S | 94.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | trans | -83.9 | 53.6 | -167.7 | -53 | 0 | 0 | 0 | 0 | 113.9 | L85 K177 D213 | L85-S159 PolarHBondContact O-N 3.46Å; S159-K177 PolarHBondContact O-NZ 3.23Å; S159-D213 WeakPolarHBondContact CB-OD2 3.35Å; S159-D213 VanDerWaalsContact OG-CB 3.27Å; S159-D213 WeakPolarHBondContact OG-CB 3.37Å; S159-D213 PolarHBondContact OG-OD2 2.66Å | ||
| 160 | F | 94.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -136.8 | 158.7 | 178.5 | -57.1 | -84.1 | 0 | 0 | 0 | 110.9 | G86 F158 C162 L172 W175 Y179 | G86-F160 VanDerWaalsContact CA-CE2 3.49Å; F158-F160 HydrophobicContact CD1-CB 4.01Å; F158-F160 AromaticContact CD1-CD2 3.67Å; F158-F160 HydrophobicContact CD1-CD2 3.67Å; F158-F160 HydrophobicContact CD1-CG 4.32Å; F158-F160 AromaticContact CD2-CD2 3.83Å; F158-F160 HydrophobicContact CD2-CD2 3.83Å; F158-F160 HydrophobicContact CD2-CE2 4.11Å; F158-F160 HydrophobicContact CE1-CB 3.69Å; F158-F160 AromaticContact CE1-CD2 3.4Å; F158-F160 HydrophobicContact CE1-CD2 3.4Å; F158-F160 VanDerWaalsContact CE1-CD2 3.4Å; F158-F160 HydrophobicContact CE1-CE2 4.38Å; F158-F160 AromaticContact CE1-CG 3.9Å; F158-F160 HydrophobicContact CE1-CG 3.9Å; F158-F160 AromaticContact CE2-CD2 3.54Å; F158-F160 HydrophobicContact CE2-CD2 3.54Å; F158-F160 AromaticContact CE2-CE2 3.72Å; F158-F160 HydrophobicContact CE2-CE2 3.72Å; F158-F160 AromaticContact CG-CD2 3.9Å; F158-F160 HydrophobicContact CG-CD2 3.9Å; F158-F160 HydrophobicContact CZ-CB 4.35Å; F158-F160 AromaticContact CZ-CD2 3.33Å; F158-F160 HydrophobicContact CZ-CD2 3.33Å; F158-F160 AromaticContact CZ-CE2 3.89Å; F158-F160 HydrophobicContact CZ-CE2 3.89Å; F158-F160 HydrophobicContact CZ-CG 4.08Å; F158-F160 PolarHBondContact O-N 3.23Å; F160-C162 PolarHBondContact O-N 3.14Å; F160-C162 VanDerWaalsContact O-N 3.09Å; F160-L172 HydrophobicContact CB-CD1 3.83Å; F160-W175 AromaticContact CD1-CE3 3.58Å; F160-W175 HydrophobicContact CD1-CE3 3.58Å; F160-W175 AromaticContact CD1-CZ3 3.84Å; F160-W175 HydrophobicContact CD1-CZ3 3.84Å; F160-W175 HydrophobicContact CD2-CE3 4.41Å; F160-W175 AromaticContact CD2-CZ3 3.84Å; F160-W175 HydrophobicContact CD2-CZ3 3.84Å; F160-W175 AromaticContact CE1-CE3 3.54Å; F160-W175 HydrophobicContact CE1-CE3 3.54Å; F160-W175 AromaticContact CE1-CZ3 3.68Å; F160-W175 HydrophobicContact CE1-CZ3 3.68Å; F160-W175 HydrophobicContact CE2-CE3 4.37Å; F160-W175 AromaticContact CE2-CZ3 3.66Å; F160-W175 HydrophobicContact CE2-CZ3 3.66Å; F160-W175 HydrophobicContact CG-CE3 4.03Å; F160-W175 AromaticContact CG-CZ3 3.91Å; F160-W175 HydrophobicContact CG-CZ3 3.91Å; F160-W175 AromaticContact CZ-CE3 3.95Å; F160-W175 HydrophobicContact CZ-CE3 3.95Å; F160-W175 AromaticContact CZ-CZ3 3.57Å; F160-W175 HydrophobicContact CZ-CZ3 3.57Å; F160-Y179 AromaticContact CE1-CD2 3.82Å; F160-Y179 HydrophobicContact CE1-CD2 3.82Å; F160-Y179 AromaticContact CE1-CG 3.97Å; F160-Y179 HydrophobicContact CE1-CG 3.97Å; F160-Y179 HydrophobicContact CZ-CD1 4.19Å; F160-Y179 AromaticContact CZ-CD2 3.48Å; F160-Y179 HydrophobicContact CZ-CD2 3.48Å; F160-Y179 VanDerWaalsContact CZ-CD2 3.48Å; F160-Y179 AromaticContact CZ-CE2 3.85Å; F160-Y179 HydrophobicContact CZ-CE2 3.85Å; F160-Y179 AromaticContact CZ-CG 3.67Å; F160-Y179 HydrophobicContact CZ-CG 3.67Å |
| 161 | P | 94.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.039 | 14% | 0.141 | C | C | . | . | trans | -62.3 | 110.4 | 174.6 | -18.2 | 27.9 | 0 | 0 | 0 | 111.2 | L64 L173 E264 | L64-P161 HydrophobicContact CD1-CB 4.46Å; P161-L173 HydrophobicContact CB-CB 4.37Å; P161-L173 PolarHBondContact O-N 2.82Å; P161-E264 HydrophobicContact CB-CG 4.04Å; P161-E264 HydrophobicContact CG-CG 4.36Å; P161-E264 WeakPolarHBondContact CG-OE2 3.29Å | ||
| 162 | C | 96.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.4 | 176.2 | -69.8 | 0 | 0 | 0 | 0 | 111.3 | L64 F160 H164 L171 M210 | L64-C162 WeakPolarHBondContact CD1-O 3.27Å; F160-C162 PolarHBondContact O-N 3.14Å; F160-C162 VanDerWaalsContact O-N 3.09Å; C162-H164 PolarHBondContact O-CD2 2.92Å; C162-H164 VanDerWaalsContact O-CD2 3.29Å; C162-L171 CarbonylContact C-O 3.52Å; C162-L171 WeakPolarHBondContact CA-O 3.28Å; C162-M210 HydrophobicContact CB-CE 4.33Å |
| 163 | E | 95 | Very high | 94.7 | Very high | 103 Ų | 103 | 24.3 Ų | 24.3 | 48% | 0.481 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 133.7 | 164.5 | -177.5 | 178.9 | 170.4 | 0 | 0 | 108.9 | P165 G170 L171 L173 | E163-P165 WeakPolarHBondContact O-CD 3.43Å; E163-G170 CarbonylContact O-C 3.58Å; E163-G170 WeakPolarHBondContact O-CA 3.41Å; E163-L171 HydrophobicContact CB-CB 4.34Å; E163-L171 PolarHBondContact N-O 2.63Å; E163-L171 PolarHBondContact O-N 3.11Å; E163-L173 HydrophobicContact CB-CD2 4.07Å; E163-L173 HydrophobicContact CB-CG 4.43Å |
| 164 | H | 93.8 | Very high | 94.6 | Very high | 17 Ų | 17 | 25.3 Ų | 25.3 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | trans | -111.7 | 109.8 | -176.6 | -70.5 | -91.2 | 0 | 0 | 0 | 109.4 | H67 C162 G166 Q169 M210 | H67-H164 PolarHBondContact CD2-O 3.47Å; H67-H164 PolarHBondContact NE2-O 3.45Å; C162-H164 PolarHBondContact O-CD2 2.92Å; C162-H164 VanDerWaalsContact O-CD2 3.29Å; H164-G166 VanDerWaalsContact C-N 3.26Å; H164-Q169 PolarHBondContact ND1-O 3.41Å; H164-M210 PolarHBondContact CE1-O 2.9Å | ||
| 165 | P | 90.4 | Very high | 94.4 | Very high | 70 Ų | 70 | 26.7 Ų | 26.7 | 46% | 0.455 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -74.1 | -21.9 | 167.7 | -13.4 | 27.4 | 0 | 0 | 0 | 112.5 | E163 Q169 L171 | E163-P165 WeakPolarHBondContact O-CD 3.43Å; P165-Q169 HydrophobicContact CG-CB 4.48Å; P165-L171 HydrophobicContact CG-CD1 4.07Å; P165-L171 HydrophobicContact CG-CG 4.39Å |
| 166 | G | 90.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 27 Ų | 27 | 13% | 0.134 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -158.7 | 173.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | H164 D168 Q169 | H164-G166 VanDerWaalsContact C-N 3.26Å; G166-D168 VanDerWaalsContact C-N 3.27Å; G166-D168 PolarHBondContact O-N 2.92Å; G166-Q169 PolarHBondContact O-N 2.98Å; G166-Q169 VanDerWaalsContact O-O 3.13Å |
| 167 | L | 92.6 | Very high | 93.4 | Very high | 31 Ų | 31 | 27.9 Ų | 27.9 | 16% | 0.162 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -31 | -177 | -171.2 | 63.8 | 0 | 0 | 0 | 112.4 | H67 V68 A209 M210 V211 V460 A464 | H67-L167 HydrophobicContact CB-CB 4.26Å; H67-L167 HydrophobicContact CB-CD1 4.38Å; V68-L167 HydrophobicContact CG2-CD1 3.88Å; L167-A209 HydrophobicContact CD1-CB 4.32Å; L167-A209 HydrophobicContact CD2-CB 4.1Å; L167-A209 HydrophobicContact CG-CB 3.82Å; L167-A209 CarbonylContact O-C 3.48Å; L167-A209 VanDerWaalsContact O-CA 3.26Å; L167-A209 WeakPolarHBondContact O-CA 3.43Å; L167-M210 PolarHBondContact O-N 2.86Å; L167-V211 HydrophobicContact CD1-CG1 4.47Å; L167-V460 HydrophobicContact CD1-CG1 3.91Å; L167-V460 HydrophobicContact CD2-CG1 4.18Å; L167-A464 HydrophobicContact CD2-CB 3.52Å |
| 168 | D | 93.9 | Very high | 92.7 | Very high | 55 Ų | 55 | 31.4 Ų | 31.4 | 29% | 0.294 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 19.6 | -178.1 | 74.3 | -46.5 | 0 | 0 | 0 | 113.5 | G166 V190 R194 | G166-D168 VanDerWaalsContact C-N 3.27Å; G166-D168 PolarHBondContact O-N 2.92Å; D168-V190 WeakPolarHBondContact O-CB 3.41Å; D168-V190 VanDerWaalsContact O-CG1 3.25Å; D168-V190 WeakPolarHBondContact O-CG1 3.38Å; D168-V190 WeakPolarHBondContact O-CG2 3.5Å; D168-R194 IonicContact OD2-CZ 2.83Å; D168-R194 IonicContact OD2-NH1 3.62Å; D168-R194 IonicContact OD2-NH2 2.93Å; D168-R194 PolarHBondContact OD2-NH2 3.46Å |
| 169 | Q | 95.3 | Very high | 92.4 | Very high | 69 Ų | 69 | 31.9 Ų | 31.9 | 32% | 0.322 | 17% | 0.171 | S | C | . | . | trans | -137 | 149.8 | -178.8 | -66.5 | -179.4 | -13.7 | 0 | 0 | 109.9 | H164 P165 G166 | H164-Q169 PolarHBondContact ND1-O 3.41Å; P165-Q169 HydrophobicContact CG-CB 4.48Å; G166-Q169 PolarHBondContact O-N 2.98Å; G166-Q169 VanDerWaalsContact O-O 3.13Å | ||
| 170 | G | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -160 | 110.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | E163 L172 D188 V189 | E163-G170 CarbonylContact O-C 3.58Å; E163-G170 WeakPolarHBondContact O-CA 3.41Å; G170-L172 PolarHBondContact O-N 3.07Å; G170-D188 PolarHBondContact N-OD1 3.44Å; G170-D188 WeakPolarHBondContact O-CA 3.25Å; G170-V189 WeakPolarHBondContact O-CB 3.42Å; G170-V189 WeakPolarHBondContact O-CG2 3.28Å; G170-V189 PolarHBondContact O-N 3.19Å | ||
| 171 | L | 97 | Very high | 92.1 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 111.4 | 176.6 | -63.5 | 170.5 | 0 | 0 | 0 | 109.7 | C162 E163 P165 L173 K187 D188 | C162-L171 CarbonylContact C-O 3.52Å; C162-L171 WeakPolarHBondContact CA-O 3.28Å; E163-L171 HydrophobicContact CB-CB 4.34Å; E163-L171 PolarHBondContact N-O 2.63Å; E163-L171 PolarHBondContact O-N 3.11Å; P165-L171 HydrophobicContact CG-CD1 4.07Å; P165-L171 HydrophobicContact CG-CG 4.39Å; L171-L173 PolarHBondContact O-N 2.85Å; L171-K187 WeakPolarHBondContact CA-O 3.09Å; L171-D188 HydrophobicContact CD2-CB 4.13Å |
| 172 | L | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 117.2 | 179.1 | 173.3 | 66.4 | 0 | 0 | 0 | 110.9 | F158 F160 G170 S174 W175 L184 G186 K187 V189 | F158-L172 HydrophobicContact CE1-CD1 4.12Å; F160-L172 HydrophobicContact CB-CD1 3.83Å; G170-L172 PolarHBondContact O-N 3.07Å; L172-S174 WeakPolarHBondContact CD1-O 3.47Å; L172-W175 HydrophobicContact CD2-CD2 3.77Å; L172-W175 HydrophobicContact CD2-CE3 4.25Å; L172-W175 HydrophobicContact CD2-CG 4.29Å; L172-W175 HydrophobicContact CD2-CH2 4.04Å; L172-W175 HydrophobicContact CD2-CZ2 3.49Å; L172-W175 VanDerWaalsContact CD2-CZ2 3.49Å; L172-W175 HydrophobicContact CD2-CZ3 4.38Å; L172-L184 HydrophobicContact CD2-CB 4.13Å; L172-L184 HydrophobicContact CD2-CD2 3.93Å; L172-L184 HydrophobicContact CD2-CG 3.95Å; L172-G186 PolarHBondContact O-N 3.38Å; L172-K187 PolarHBondContact N-O 2.98Å; L172-K187 VanDerWaalsContact N-O 3.12Å; L172-V189 HydrophobicContact CB-CG2 3.9Å |
| 173 | L | 94.1 | Very high | 91.9 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 31% | 0.314 | 25% | 0.247 | S | C | . | . | trans | -78.8 | -47 | 179.5 | -62.5 | 179.2 | 0 | 0 | 0 | 111.9 | L64 P161 E163 L171 Q185 | L64-L173 HydrophobicContact CD1-CD1 3.95Å; L64-L173 HydrophobicContact CD2-CD1 3.92Å; P161-L173 HydrophobicContact CB-CB 4.37Å; P161-L173 PolarHBondContact O-N 2.82Å; E163-L173 HydrophobicContact CB-CD2 4.07Å; E163-L173 HydrophobicContact CB-CG 4.43Å; L171-L173 PolarHBondContact O-N 2.85Å; L173-Q185 VanDerWaalsContact O-CG 3.3Å; L173-Q185 WeakPolarHBondContact O-CG 3.41Å; L173-Q185 PolarHBondContact O-NE2 3.04Å | ||
| 174 | S | 91.6 | Very high | 91.9 | Very high | 46 Ų | 46 | 42.6 Ų | 42.6 | 32% | 0.322 | 22% | 0.224 | S | C | . | . | trans | -161.4 | 147.8 | -178.3 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | L172 | L172-S174 WeakPolarHBondContact CD1-O 3.47Š| ||
| 175 | W | 91.2 | Very high | 92 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 11% | 0.106 | 25% | 0.248 | C | C | . | . | trans | -75.7 | 145.9 | 168.5 | -70 | 113.4 | 0 | 0 | 0 | 112.1 | L129 F158 F160 L172 Y179 V181 L184 | L129-W175 HydrophobicContact CD2-CH2 4.43Å; F158-W175 HydrophobicContact CE2-CH2 4.3Å; F158-W175 HydrophobicContact CE2-CZ3 4.4Å; F158-W175 AromaticContact CZ-CH2 3.74Å; F158-W175 HydrophobicContact CZ-CH2 3.74Å; F158-W175 AromaticContact CZ-CZ3 3.82Å; F158-W175 HydrophobicContact CZ-CZ3 3.82Å; F160-W175 AromaticContact CD1-CE3 3.58Å; F160-W175 HydrophobicContact CD1-CE3 3.58Å; F160-W175 AromaticContact CD1-CZ3 3.84Å; F160-W175 HydrophobicContact CD1-CZ3 3.84Å; F160-W175 HydrophobicContact CD2-CE3 4.41Å; F160-W175 AromaticContact CD2-CZ3 3.84Å; F160-W175 HydrophobicContact CD2-CZ3 3.84Å; F160-W175 AromaticContact CE1-CE3 3.54Å; F160-W175 HydrophobicContact CE1-CE3 3.54Å; F160-W175 AromaticContact CE1-CZ3 3.68Å; F160-W175 HydrophobicContact CE1-CZ3 3.68Å; F160-W175 HydrophobicContact CE2-CE3 4.37Å; F160-W175 AromaticContact CE2-CZ3 3.66Å; F160-W175 HydrophobicContact CE2-CZ3 3.66Å; F160-W175 HydrophobicContact CG-CE3 4.03Å; F160-W175 AromaticContact CG-CZ3 3.91Å; F160-W175 HydrophobicContact CG-CZ3 3.91Å; F160-W175 AromaticContact CZ-CE3 3.95Å; F160-W175 HydrophobicContact CZ-CE3 3.95Å; F160-W175 AromaticContact CZ-CZ3 3.57Å; F160-W175 HydrophobicContact CZ-CZ3 3.57Å; L172-W175 HydrophobicContact CD2-CD2 3.77Å; L172-W175 HydrophobicContact CD2-CE3 4.25Å; L172-W175 HydrophobicContact CD2-CG 4.29Å; L172-W175 HydrophobicContact CD2-CH2 4.04Å; L172-W175 HydrophobicContact CD2-CZ2 3.49Å; L172-W175 VanDerWaalsContact CD2-CZ2 3.49Å; L172-W175 HydrophobicContact CD2-CZ3 4.38Å; W175-Y179 VanDerWaalsContact CB-O 3.27Å; W175-Y179 WeakPolarHBondContact CB-O 3.4Å; W175-Y179 VanDerWaalsContact CE3-CB 3.44Å; W175-Y179 HydrophobicContact CE3-CG 4.25Å; W175-Y179 HydrophobicContact CZ3-CD1 4.15Å; W175-Y179 HydrophobicContact CZ3-CG 4.17Å; W175-V181 HydrophobicContact CH2-CB 4.27Å; W175-V181 HydrophobicContact CH2-CG2 4.05Å; W175-V181 HydrophobicContact CZ2-CB 3.5Å; W175-V181 HydrophobicContact CZ2-CG1 4.41Å; W175-V181 HydrophobicContact CZ2-CG2 3.77Å; W175-V181 PolarHBondContact NE1-O 3.28Å; W175-L184 HydrophobicContact CH2-CD2 3.69Å; W175-L184 HydrophobicContact CZ2-CB 4.06Å; W175-L184 HydrophobicContact CZ2-CD2 3.41Å; W175-L184 VanDerWaalsContact CZ2-CD2 3.41Å; W175-L184 HydrophobicContact CZ2-CG 4.29Å | ||
| 176 | C | 85.1 | Confident | 92.2 | Very high | 7 Ų | 7 | 47 Ų | 47 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | trans | -133.4 | -179.4 | 171.8 | 66.8 | 0 | 0 | 0 | 0 | 110.5 | N178 Y179 Q295 | C176-N178 PolarHBondContact O-N 3.43Å; C176-Y179 PolarHBondContact O-N 3.38Å; C176-Q295 HydrophobicContact CB-CG 4.4Å | ||
| 177 | K | 85.2 | Confident | 92.4 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 8% | 0.078 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -126.9 | -177.4 | -52.5 | 156.4 | -176.9 | 169.4 | 0 | 110.7 | G86 S159 T236 | G86-K177 WeakPolarHBondContact O-CD 3.34Å; G86-K177 PolarHBondContact O-NZ 3.32Å; S159-K177 PolarHBondContact O-NZ 3.23Å; K177-T236 HydrophobicContact CB-CG2 4.42Å; K177-T236 HydrophobicContact CG-CG2 4.38Å |
| 178 | N | 83.3 | Confident | 92.6 | Very high | 74 Ų | 74 | 50.9 Ų | 50.9 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 10 | -177.6 | -65.6 | -21.4 | 0 | 0 | 0 | 113.7 | Y122 C176 L304 | Y122-N178 HydrophobicContact CD1-CB 4.4Å; C176-N178 PolarHBondContact O-N 3.43Å; N178-L304 WeakPolarHBondContact OD1-CD2 3.33Å |
| 179 | Y | 88.1 | Confident | 92.8 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | trans | -95 | 141.8 | 179.6 | -75 | -101.2 | 0 | 0 | 0 | 110.7 | Y122 F160 W175 C176 V181 | Y122-Y179 HydrophobicContact CD1-CD1 4.14Å; Y122-Y179 AromaticContact CD1-CD2 3.99Å; Y122-Y179 HydrophobicContact CD1-CD2 3.99Å; Y122-Y179 AromaticContact CD1-CE1 4Å; Y122-Y179 HydrophobicContact CD1-CE1 4Å; Y122-Y179 AromaticContact CD1-CE2 3.85Å; Y122-Y179 HydrophobicContact CD1-CE2 3.85Å; Y122-Y179 HydrophobicContact CD1-CG 4.14Å; Y122-Y179 AromaticContact CD1-CZ 3.85Å; Y122-Y179 HydrophobicContact CE1-CD2 4.15Å; Y122-Y179 HydrophobicContact CE1-CE1 4.14Å; Y122-Y179 AromaticContact CE1-CE2 3.57Å; Y122-Y179 HydrophobicContact CE1-CE2 3.57Å; Y122-Y179 AromaticContact CE1-CZ 3.56Å; F160-Y179 AromaticContact CE1-CD2 3.82Å; F160-Y179 HydrophobicContact CE1-CD2 3.82Å; F160-Y179 AromaticContact CE1-CG 3.97Å; F160-Y179 HydrophobicContact CE1-CG 3.97Å; F160-Y179 HydrophobicContact CZ-CD1 4.19Å; F160-Y179 AromaticContact CZ-CD2 3.48Å; F160-Y179 HydrophobicContact CZ-CD2 3.48Å; F160-Y179 VanDerWaalsContact CZ-CD2 3.48Å; F160-Y179 AromaticContact CZ-CE2 3.85Å; F160-Y179 HydrophobicContact CZ-CE2 3.85Å; F160-Y179 AromaticContact CZ-CG 3.67Å; F160-Y179 HydrophobicContact CZ-CG 3.67Å; W175-Y179 VanDerWaalsContact CB-O 3.27Å; W175-Y179 WeakPolarHBondContact CB-O 3.4Å; W175-Y179 VanDerWaalsContact CE3-CB 3.44Å; W175-Y179 HydrophobicContact CE3-CG 4.25Å; W175-Y179 HydrophobicContact CZ3-CD1 4.15Å; W175-Y179 HydrophobicContact CZ3-CG 4.17Å; C176-Y179 PolarHBondContact O-N 3.38Å; Y179-V181 HydrophobicContact CD1-CG2 4.02Å | ||
| 180 | K | 89.5 | Confident | 92.9 | Very high | 123 Ų | 123 | 45 Ų | 45 | 54% | 0.535 | 24% | 0.238 | S | C | . | . | trans | -153.4 | 51.1 | 172.1 | -161.7 | 173.3 | -178.1 | 170.9 | 0 | 110.6 | Y122 E123 R182 | Y122-K180 CarbonylContact O-C 3.42Å; Y122-K180 PolarHBondContact O-N 3.01Å; E123-K180 HydrophobicContact CG-CB 4.45Å; K180-R182 PolarHBondContact O-N 3.18Å | ||
| 181 | V | 93 | Very high | 92.9 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | trans | -72.9 | 129.7 | -174.1 | -175.8 | 0 | 0 | 0 | 0 | 110 | L121 Y122 A126 L129 W175 Y179 | L121-V181 WeakPolarHBondContact O-CG2 3.18Å; Y122-V181 PolarHBondContact O-N 2.94Å; A126-V181 VanDerWaalsContact CA-CG1 3.5Å; A126-V181 HydrophobicContact CB-CG1 4.19Å; L129-V181 HydrophobicContact CB-CG1 4.38Å; L129-V181 HydrophobicContact CD2-CG1 4.28Å; L129-V181 HydrophobicContact CD2-CG2 3.87Å; W175-V181 HydrophobicContact CH2-CB 4.27Å; W175-V181 HydrophobicContact CH2-CG2 4.05Å; W175-V181 HydrophobicContact CZ2-CB 3.5Å; W175-V181 HydrophobicContact CZ2-CG1 4.41Å; W175-V181 HydrophobicContact CZ2-CG2 3.77Å; W175-V181 PolarHBondContact NE1-O 3.28Å; Y179-V181 HydrophobicContact CD1-CG2 4.02Å | ||
| 182 | R | 94.1 | Very high | 93 | Very high | 167 Ų | 167 | 48 Ų | 48 | 63% | 0.63 | 25% | 0.25 | S | S | * | . | B | Isolated β-bridge | trans | -78.6 | 136.4 | -175 | -65.9 | -179.8 | -72 | -179.2 | -0 | 111.7 | G124 A126 K180 | G124-R182 PolarHBondContact O-N 3.13Å; A126-R182 PolarHBondContact N-O 2.88Å; K180-R182 PolarHBondContact O-N 3.18Å |
| 183 | G | 93.6 | Very high | 93 | Very high | 46 Ų | 46 | 48 Ų | 48 | 47% | 0.474 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | 3.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | K187 | G183-K187 WeakPolarHBondContact O-CD 3.41Å; G183-K187 WeakPolarHBondContact O-CE 3.34Å; G183-K187 PolarHBondContact O-NZ 2.92Å |
| 184 | L | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -100.9 | -31.3 | 177.7 | -165.5 | 62.7 | 0 | 0 | 0 | 114.3 | A126 F130 F158 L172 W175 G186 K187 V189 F192 | A126-L184 HydrophobicContact CB-CB 3.85Å; A126-L184 HydrophobicContact CB-CD1 4.25Å; F130-L184 HydrophobicContact CE2-CD1 3.87Å; F130-L184 HydrophobicContact CE2-CD2 3.62Å; F130-L184 HydrophobicContact CE2-CG 4.41Å; F130-L184 HydrophobicContact CZ-CD2 4.04Å; F158-L184 HydrophobicContact CZ-CD2 4.35Å; L172-L184 HydrophobicContact CD2-CB 4.13Å; L172-L184 HydrophobicContact CD2-CD2 3.93Å; L172-L184 HydrophobicContact CD2-CG 3.95Å; W175-L184 HydrophobicContact CH2-CD2 3.69Å; W175-L184 HydrophobicContact CZ2-CB 4.06Å; W175-L184 HydrophobicContact CZ2-CD2 3.41Å; W175-L184 VanDerWaalsContact CZ2-CD2 3.41Å; W175-L184 HydrophobicContact CZ2-CG 4.29Å; L184-G186 PolarHBondContact O-N 3.21Å; L184-K187 WeakPolarHBondContact O-CB 3.34Å; L184-K187 PolarHBondContact O-N 2.56Å; L184-V189 HydrophobicContact CD1-CG2 4.34Å; L184-V189 HydrophobicContact CD2-CG2 4.05Å; L184-V189 HydrophobicContact CG-CG2 4.22Å; L184-F192 HydrophobicContact CD1-CB 4.11Å; L184-F192 HydrophobicContact CD1-CD1 4.12Å; L184-F192 HydrophobicContact CD1-CD2 3.51Å; L184-F192 HydrophobicContact CD1-CE1 4.44Å; L184-F192 HydrophobicContact CD1-CE2 3.88Å; L184-F192 HydrophobicContact CD1-CG 3.63Å; L184-F192 HydrophobicContact CD1-CZ 4.32Å | ||
| 185 | Q | 94.8 | Very high | 93.5 | Very high | 122 Ų | 122 | 50.3 Ų | 50.3 | 57% | 0.57 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 134.1 | -177.2 | -171.4 | 178.1 | -20.1 | 0 | 0 | 111.1 | L173 K187 | L173-Q185 VanDerWaalsContact O-CG 3.3Å; L173-Q185 WeakPolarHBondContact O-CG 3.41Å; L173-Q185 PolarHBondContact O-NE2 3.04Å; Q185-K187 VanDerWaalsContact C-N 3.3Å |
| 186 | G | 94.6 | Very high | 93.8 | Very high | 58 Ų | 58 | 49 Ų | 49 | 60% | 0.598 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 8.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L172 L184 | L172-G186 PolarHBondContact O-N 3.38Å; L184-G186 PolarHBondContact O-N 3.21Å |
| 187 | K | 96.5 | Very high | 94.3 | Very high | 102 Ų | 102 | 49.1 Ų | 49.1 | 44% | 0.443 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -122.7 | 160.3 | -178.8 | -55.5 | -172.9 | -174.1 | 167.9 | 0 | 112 | L171 L172 G183 L184 Q185 V189 F192 | L171-K187 WeakPolarHBondContact CA-O 3.09Å; L172-K187 PolarHBondContact N-O 2.98Å; L172-K187 VanDerWaalsContact N-O 3.12Å; G183-K187 WeakPolarHBondContact O-CD 3.41Å; G183-K187 WeakPolarHBondContact O-CE 3.34Å; G183-K187 PolarHBondContact O-NZ 2.92Å; L184-K187 WeakPolarHBondContact O-CB 3.34Å; L184-K187 PolarHBondContact O-N 2.56Å; Q185-K187 VanDerWaalsContact C-N 3.3Å; K187-V189 PolarHBondContact O-N 3.21Å; K187-F192 HydrophobicContact CB-CE2 3.92Å; K187-F192 HydrophobicContact CD-CE2 3.64Å; K187-F192 HydrophobicContact CD-CZ 3.87Å; K187-F192 HydrophobicContact CG-CE2 4.46Å |
| 188 | D | 97.2 | Very high | 94.9 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 113.8 | 179.1 | -177 | 6.2 | 0 | 0 | 0 | 111.1 | G170 L171 V190 Q191 F192 | G170-D188 PolarHBondContact N-OD1 3.44Å; G170-D188 WeakPolarHBondContact O-CA 3.25Å; L171-D188 HydrophobicContact CD2-CB 4.13Å; D188-V190 VanDerWaalsContact C-N 3.31Å; D188-V190 PolarHBondContact O-N 2.9Å; D188-V190 PolarHBondContact OD1-N 2.84Å; D188-Q191 HydrophobicContact CB-CB 3.95Å; D188-Q191 WeakPolarHBondContact O-CB 3.3Å; D188-Q191 PolarHBondContact O-N 2.69Å; D188-F192 WeakPolarHBondContact O-CD2 3.44Å; D188-F192 PolarHBondContact O-N 2.81Å |
| 189 | V | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 178.7 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | F130 F156 F158 G170 L172 L184 K187 Q191 F192 L193 M210 | F130-V189 HydrophobicContact CE1-CG1 4.16Å; F130-V189 HydrophobicContact CZ-CG1 3.72Å; F156-V189 HydrophobicContact CD1-CG1 4.31Å; F156-V189 HydrophobicContact CE1-CG1 3.58Å; F156-V189 HydrophobicContact CZ-CG1 4.41Å; F158-V189 HydrophobicContact CD1-CG1 4.28Å; F158-V189 HydrophobicContact CD1-CG2 4.36Å; F158-V189 HydrophobicContact CD2-CG1 4.23Å; F158-V189 HydrophobicContact CE1-CG1 4.19Å; F158-V189 HydrophobicContact CE1-CG2 3.76Å; F158-V189 HydrophobicContact CE2-CG1 4.19Å; F158-V189 HydrophobicContact CG-CG1 4.27Å; F158-V189 HydrophobicContact CZ-CG1 4.15Å; F158-V189 HydrophobicContact CZ-CG2 4.05Å; G170-V189 WeakPolarHBondContact O-CB 3.42Å; G170-V189 WeakPolarHBondContact O-CG2 3.28Å; G170-V189 PolarHBondContact O-N 3.19Å; L172-V189 HydrophobicContact CB-CG2 3.9Å; L184-V189 HydrophobicContact CD1-CG2 4.34Å; L184-V189 HydrophobicContact CD2-CG2 4.05Å; L184-V189 HydrophobicContact CG-CG2 4.22Å; K187-V189 PolarHBondContact O-N 3.21Å; V189-Q191 VanDerWaalsContact C-N 3.31Å; V189-Q191 PolarHBondContact O-N 2.76Å; V189-F192 PolarHBondContact O-N 2.93Å; V189-L193 PolarHBondContact O-N 2.88Å; V189-L193 VanDerWaalsContact O-N 3.1Å; V189-M210 HydrophobicContact CB-CE 3.66Å; V189-M210 HydrophobicContact CB-SD 3.97Å; V189-M210 HydrophobicContact CG1-CE 3.64Å; V189-M210 HydrophobicContact CG1-SD 4.08Å; V189-M210 HydrophobicContact CG2-CE 4.02Å |
| 190 | V | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.1 | -36.5 | -179.8 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | D168 D188 F192 L193 R194 V207 M210 | D168-V190 WeakPolarHBondContact O-CB 3.41Å; D168-V190 VanDerWaalsContact O-CG1 3.25Å; D168-V190 WeakPolarHBondContact O-CG1 3.38Å; D168-V190 WeakPolarHBondContact O-CG2 3.5Å; D188-V190 VanDerWaalsContact C-N 3.31Å; D188-V190 PolarHBondContact O-N 2.9Å; D188-V190 PolarHBondContact OD1-N 2.84Å; V190-F192 VanDerWaalsContact C-N 3.34Å; V190-F192 PolarHBondContact O-N 2.94Å; V190-L193 PolarHBondContact O-N 3.44Å; V190-R194 HydrophobicContact CG1-CG 4.26Å; V190-R194 WeakPolarHBondContact O-CG 3.49Å; V190-R194 PolarHBondContact O-N 3.32Å; V190-V207 HydrophobicContact CG1-CB 3.87Å; V190-V207 HydrophobicContact CG1-CG1 3.62Å; V190-V207 HydrophobicContact CG1-CG2 4.32Å; V190-V207 HydrophobicContact CG2-CG1 4.43Å; V190-M210 HydrophobicContact CG2-CB 3.72Å; V190-M210 HydrophobicContact CG2-CG 4.18Å; V190-M210 HydrophobicContact CG2-SD 3.58Å; V190-M210 VanDerWaalsContact CG2-SD 3.58Å |
| 191 | Q | 97.1 | Very high | 96 | Very high | 98 Ų | 98 | 52.6 Ų | 52.6 | 46% | 0.458 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.3 | -169.1 | -178 | 19.7 | 0 | 0 | 112 | D188 V189 R194 Q195 | D188-Q191 HydrophobicContact CB-CB 3.95Å; D188-Q191 WeakPolarHBondContact O-CB 3.3Å; D188-Q191 PolarHBondContact O-N 2.69Å; V189-Q191 VanDerWaalsContact C-N 3.31Å; V189-Q191 PolarHBondContact O-N 2.76Å; Q191-R194 PolarHBondContact O-N 2.94Å; Q191-Q195 WeakPolarHBondContact O-CB 3.43Å; Q191-Q195 VanDerWaalsContact O-CG 3.26Å; Q191-Q195 WeakPolarHBondContact O-CG 3.29Å; Q191-Q195 PolarHBondContact O-N 3.01Å |
| 192 | F | 97.7 | Very high | 96 | Very high | 21 Ų | 21 | 57.5 Ų | 57.5 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 175.9 | -88.5 | -101.5 | 0 | 0 | 0 | 112.5 | A126 V127 F130 L184 K187 D188 V189 V190 A196 | A126-F192 HydrophobicContact CB-CD1 3.85Å; A126-F192 HydrophobicContact CB-CE1 3.6Å; A126-F192 HydrophobicContact CB-CZ 4.37Å; V127-F192 HydrophobicContact CG2-CE1 4.38Å; F130-F192 HydrophobicContact CD2-CB 3.59Å; F130-F192 HydrophobicContact CD2-CD1 4.25Å; F130-F192 HydrophobicContact CD2-CG 4.28Å; F130-F192 HydrophobicContact CE2-CB 3.83Å; F130-F192 HydrophobicContact CE2-CG 4.49Å; F130-F192 HydrophobicContact CG-CB 4.07Å; F130-F192 HydrophobicContact CZ-CB 4.49Å; L184-F192 HydrophobicContact CD1-CB 4.11Å; L184-F192 HydrophobicContact CD1-CD1 4.12Å; L184-F192 HydrophobicContact CD1-CD2 3.51Å; L184-F192 HydrophobicContact CD1-CE1 4.44Å; L184-F192 HydrophobicContact CD1-CE2 3.88Å; L184-F192 HydrophobicContact CD1-CG 3.63Å; L184-F192 HydrophobicContact CD1-CZ 4.32Å; K187-F192 HydrophobicContact CB-CE2 3.92Å; K187-F192 HydrophobicContact CD-CE2 3.64Å; K187-F192 HydrophobicContact CD-CZ 3.87Å; K187-F192 HydrophobicContact CG-CE2 4.46Å; D188-F192 WeakPolarHBondContact O-CD2 3.44Å; D188-F192 PolarHBondContact O-N 2.81Å; V189-F192 PolarHBondContact O-N 2.93Å; V190-F192 VanDerWaalsContact C-N 3.34Å; V190-F192 PolarHBondContact O-N 2.94Å; F192-A196 WeakPolarHBondContact O-CB 3.45Å; F192-A196 PolarHBondContact O-N 2.85Å |
| 193 | L | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 175 | 176.7 | 60.7 | 0 | 0 | 0 | 111.5 | L83 F130 V133 L154 F156 V189 V190 Q195 A196 I197 V207 | L83-L193 HydrophobicContact CD1-CD1 4.05Å; L83-L193 HydrophobicContact CD1-CD2 3.77Å; F130-L193 HydrophobicContact CD1-CB 3.97Å; F130-L193 HydrophobicContact CD1-CD1 4.24Å; F130-L193 HydrophobicContact CE1-CB 4.2Å; V133-L193 HydrophobicContact CG1-CD1 3.91Å; L154-L193 HydrophobicContact CD2-CD2 4.21Å; F156-L193 HydrophobicContact CD1-CD2 3.69Å; F156-L193 HydrophobicContact CE1-CD2 4.04Å; F156-L193 HydrophobicContact CG-CD2 4.19Å; V189-L193 PolarHBondContact O-N 2.88Å; V189-L193 VanDerWaalsContact O-N 3.1Å; V190-L193 PolarHBondContact O-N 3.44Å; L193-Q195 PolarHBondContact O-N 3.04Å; L193-A196 PolarHBondContact O-N 3.01Å; L193-A196 VanDerWaalsContact O-N 3.13Å; L193-I197 HydrophobicContact CD1-CD1 3.96Å; L193-I197 HydrophobicContact CD1-CG1 4.29Å; L193-I197 HydrophobicContact CG-CD1 3.86Å; L193-I197 WeakPolarHBondContact O-CG1 3.16Å; L193-I197 PolarHBondContact O-N 3.37Å; L193-V207 HydrophobicContact CD2-CG2 4.16Å |
| 194 | R | 97.8 | Very high | 96 | Very high | 78 Ų | 78 | 51.4 Ų | 51.4 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.7 | -48.8 | 176.5 | -74.1 | 173.7 | 177.4 | 150.1 | -1.2 | 111.1 | D168 V190 Q191 A196 I197 D198 V207 | D168-R194 IonicContact OD2-CZ 2.83Å; D168-R194 IonicContact OD2-NH1 3.62Å; D168-R194 IonicContact OD2-NH2 2.93Å; D168-R194 PolarHBondContact OD2-NH2 3.46Å; V190-R194 HydrophobicContact CG1-CG 4.26Å; V190-R194 WeakPolarHBondContact O-CG 3.49Å; V190-R194 PolarHBondContact O-N 3.32Å; Q191-R194 PolarHBondContact O-N 2.94Å; R194-A196 VanDerWaalsContact C-N 3.29Å; R194-A196 PolarHBondContact O-N 3.34Å; R194-I197 WeakPolarHBondContact O-CB 3.21Å; R194-I197 PolarHBondContact O-N 3.14Å; R194-D198 VanDerWaalsContact O-CG 3.23Å; R194-D198 PolarHBondContact O-N 2.89Å; R194-V207 HydrophobicContact CG-CG2 4.21Å; R194-V207 PolarHBondContact NH2-O 2.84Å |
| 195 | Q | 97.6 | Very high | 96 | Very high | 75 Ų | 75 | 52.5 Ų | 52.5 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.6 | -34 | 177.3 | -70.7 | 174 | 1.6 | 0 | 0 | 113.3 | Q191 L193 R199 | Q191-Q195 WeakPolarHBondContact O-CB 3.43Å; Q191-Q195 VanDerWaalsContact O-CG 3.26Å; Q191-Q195 WeakPolarHBondContact O-CG 3.29Å; Q191-Q195 PolarHBondContact O-N 3.01Å; L193-Q195 PolarHBondContact O-N 3.04Å; Q195-R199 WeakPolarHBondContact O-CG 3.39Å; Q195-R199 PolarHBondContact O-N 3.49Å; Q195-R199 VanDerWaalsContact O-N 3.08Å; Q195-R199 PolarHBondContact O-NH1 2.88Å; Q195-R199 VanDerWaalsContact O-NH1 3.14Å |
| 196 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.6 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F130 S134 F192 L193 R194 D198 R199 T200 | F130-A196 HydrophobicContact CB-CB 3.71Å; F130-A196 VanDerWaalsContact O-CB 3.31Å; F130-A196 WeakPolarHBondContact O-CB 3.33Å; S134-A196 PolarHBondContact OG-O 3.36Å; F192-A196 WeakPolarHBondContact O-CB 3.45Å; F192-A196 PolarHBondContact O-N 2.85Å; L193-A196 PolarHBondContact O-N 3.01Å; L193-A196 VanDerWaalsContact O-N 3.13Å; R194-A196 VanDerWaalsContact C-N 3.29Å; R194-A196 PolarHBondContact O-N 3.34Å; A196-D198 VanDerWaalsContact C-N 3.32Å; A196-D198 PolarHBondContact O-N 3.25Å; A196-R199 PolarHBondContact O-N 2.81Å; A196-T200 PolarHBondContact O-N 3.13Å; A196-T200 PolarHBondContact O-OG1 3.15Å |
| 197 | I | 97.1 | Very high | 96 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.1 | -46.9 | 172.7 | -69.5 | 160.1 | 0 | 0 | 0 | 110.4 | S134 L137 L193 R194 R199 T200 G201 M203 I205 | S134-I197 VanDerWaalsContact OG-CA 3.31Å; S134-I197 WeakPolarHBondContact OG-CA 3.3Å; S134-I197 PolarHBondContact OG-N 2.88Å; L137-I197 HydrophobicContact CD2-CD1 4.28Å; L137-I197 HydrophobicContact CD2-CG1 4.37Å; L193-I197 HydrophobicContact CD1-CD1 3.96Å; L193-I197 HydrophobicContact CD1-CG1 4.29Å; L193-I197 HydrophobicContact CG-CD1 3.86Å; L193-I197 WeakPolarHBondContact O-CG1 3.16Å; L193-I197 PolarHBondContact O-N 3.37Å; R194-I197 WeakPolarHBondContact O-CB 3.21Å; R194-I197 PolarHBondContact O-N 3.14Å; I197-R199 VanDerWaalsContact C-N 3.32Å; I197-R199 PolarHBondContact O-N 2.61Å; I197-T200 PolarHBondContact O-N 3.24Å; I197-G201 PolarHBondContact O-N 2.85Å; I197-M203 HydrophobicContact CG2-CE 4.4Å; I197-M203 HydrophobicContact CG2-CG 4Å; I197-M203 HydrophobicContact CG2-SD 4.26Å; I197-I205 HydrophobicContact CD1-CB 4.05Å; I197-I205 HydrophobicContact CD1-CG1 4.41Å; I197-I205 HydrophobicContact CD1-CG2 3.86Å; I197-I205 HydrophobicContact CG2-CB 4.23Å; I197-I205 HydrophobicContact CG2-CG1 4.22Å |
| 198 | D | 96.1 | Very high | 95.9 | Very high | 126 Ų | 126 | 43.6 Ų | 43.6 | 67% | 0.674 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -60.1 | -40.5 | 177.6 | -65.4 | -23.8 | 0 | 0 | 0 | 112.2 | R194 A196 | R194-D198 VanDerWaalsContact O-CG 3.23Å; R194-D198 PolarHBondContact O-N 2.89Å; A196-D198 VanDerWaalsContact C-N 3.32Å; A196-D198 PolarHBondContact O-N 3.25Å |
| 199 | R | 97 | Very high | 95.8 | Very high | 115 Ų | 115 | 42.5 Ų | 42.5 | 43% | 0.434 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.7 | -41.6 | 176.3 | -77.4 | -170.4 | -59.3 | -81.3 | 2.1 | 112.7 | D131 Q195 A196 I197 | D131-R199 IonicContact OD1-CZ 3.45Å; D131-R199 VanDerWaalsContact OD1-CZ 3.23Å; D131-R199 IonicContact OD1-NE 3.31Å; D131-R199 PolarHBondContact OD1-NE 3.13Å; D131-R199 IonicContact OD1-NH2 2.75Å; D131-R199 PolarHBondContact OD1-NH2 3.44Å; D131-R199 IonicContact OD2-NE 3.44Å; Q195-R199 WeakPolarHBondContact O-CG 3.39Å; Q195-R199 PolarHBondContact O-N 3.49Å; Q195-R199 VanDerWaalsContact O-N 3.08Å; Q195-R199 PolarHBondContact O-NH1 2.88Å; Q195-R199 VanDerWaalsContact O-NH1 3.14Å; A196-R199 PolarHBondContact O-N 2.81Å; I197-R199 VanDerWaalsContact C-N 3.32Å; I197-R199 PolarHBondContact O-N 2.61Å |
| 200 | T | 96.2 | Very high | 95.7 | Very high | 36 Ų | 36 | 42.6 Ų | 42.6 | 22% | 0.221 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.9 | -36.4 | -179.6 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | S134 E135 K138 A196 I197 M203 | S134-T200 WeakPolarHBondContact CB-OG1 3.44Å; S134-T200 VanDerWaalsContact OG-CB 3.26Å; S134-T200 WeakPolarHBondContact OG-CB 3.5Å; S134-T200 PolarHBondContact OG-OG1 3.11Å; E135-T200 HydrophobicContact CG-CG2 4.38Å; K138-T200 HydrophobicContact CB-CG2 4.27Å; K138-T200 HydrophobicContact CD-CG2 3.75Å; A196-T200 PolarHBondContact O-N 3.13Å; A196-T200 PolarHBondContact O-OG1 3.15Å; I197-T200 PolarHBondContact O-N 3.24Å; T200-M203 HydrophobicContact CG2-CE 3.42Å; T200-M203 VanDerWaalsContact CG2-CE 3.42Å |
| 201 | G | 92.4 | Very high | 95.7 | Very high | 25 Ų | 25 | 42.8 Ų | 42.8 | 26% | 0.258 | 21% | 0.214 | S | C | . | . | trans | 63.7 | -178.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I197 M203 | I197-G201 PolarHBondContact O-N 2.85Å; G201-M203 VanDerWaalsContact C-N 3.28Å; G201-M203 PolarHBondContact O-N 3.38Å | ||
| 202 | D | 91.4 | Very high | 95.7 | Very high | 106 Ų | 106 | 38.3 Ų | 38.3 | 57% | 0.567 | 19% | 0.194 | S | C | * | . | S | Bend | trans | 59.4 | 37.8 | 174 | -175.4 | 37.6 | 0 | 0 | 0 | 113.3 | K138 | K138-D202 WeakPolarHBondContact CE-OD2 3.35Å; K138-D202 VanDerWaalsContact NZ-CB 3.3Å; K138-D202 IonicContact NZ-OD2 2.71Å; K138-D202 PolarHBondContact NZ-OD2 3.5Å |
| 203 | M | 94.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 38 Ų | 38 | 11% | 0.108 | 19% | 0.193 | C | C | . | . | trans | -162.6 | 145.1 | 168.7 | 56.3 | -174.1 | 139 | 0 | 0 | 109.5 | S134 L137 K138 L141 I197 T200 G201 I205 | S134-M203 WeakPolarHBondContact OG-CE 3.33Å; L137-M203 HydrophobicContact CD2-SD 4.22Å; L137-M203 HydrophobicContact CG-SD 4.17Å; K138-M203 HydrophobicContact CB-CE 3.75Å; K138-M203 HydrophobicContact CB-SD 4.07Å; K138-M203 HydrophobicContact CD-CE 4.41Å; K138-M203 HydrophobicContact CG-CE 4.42Å; L141-M203 HydrophobicContact CD1-CB 3.92Å; L141-M203 HydrophobicContact CD1-SD 4.18Å; I197-M203 HydrophobicContact CG2-CE 4.4Å; I197-M203 HydrophobicContact CG2-CG 4Å; I197-M203 HydrophobicContact CG2-SD 4.26Å; T200-M203 HydrophobicContact CG2-CE 3.42Å; T200-M203 VanDerWaalsContact CG2-CE 3.42Å; G201-M203 VanDerWaalsContact C-N 3.28Å; G201-M203 PolarHBondContact O-N 3.38Å; M203-I205 HydrophobicContact CB-CG1 4.31Å; M203-I205 HydrophobicContact CG-CG1 4.16Å; M203-I205 HydrophobicContact SD-CG1 4.23Å | ||
| 204 | D | 93.3 | Very high | 95.5 | Very high | 64 Ų | 64 | 38 Ų | 38 | 34% | 0.342 | 19% | 0.193 | S | C | . | . | trans | -113 | 111.4 | 173.1 | -176.2 | 11.1 | 0 | 0 | 0 | 110.1 | P148 K151 H152 | P148-D204 PolarHBondContact O-N 2.81Å; K151-D204 WeakPolarHBondContact CA-O 3.15Å; K151-D204 WeakPolarHBondContact CA-OD2 3.38Å; K151-D204 VanDerWaalsContact CB-OD2 3.23Å; K151-D204 WeakPolarHBondContact CB-OD2 3.43Å; K151-D204 PolarHBondContact N-OD2 3.23Å; H152-D204 PolarHBondContact N-O 3.38Å | ||
| 205 | I | 95.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 34.3 Ų | 34.3 | 11% | 0.113 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 128.6 | -170.1 | -58.8 | -64 | 0 | 0 | 0 | 110.7 | L137 L141 H152 L154 I197 M203 V207 | L137-I205 HydrophobicContact CD2-CD1 4.25Å; L137-I205 HydrophobicContact CD2-CG1 4.11Å; L141-I205 HydrophobicContact CD1-CD1 3.82Å; H152-I205 HydrophobicContact CB-CD1 4.09Å; L154-I205 HydrophobicContact CB-CG2 3.61Å; L154-I205 HydrophobicContact CD1-CG2 3.67Å; L154-I205 HydrophobicContact CG-CG2 4.23Å; I197-I205 HydrophobicContact CD1-CB 4.05Å; I197-I205 HydrophobicContact CD1-CG1 4.41Å; I197-I205 HydrophobicContact CD1-CG2 3.86Å; I197-I205 HydrophobicContact CG2-CB 4.23Å; I197-I205 HydrophobicContact CG2-CG1 4.22Å; M203-I205 HydrophobicContact CB-CG1 4.31Å; M203-I205 HydrophobicContact CG-CG1 4.16Å; M203-I205 HydrophobicContact SD-CG1 4.23Å; I205-V207 HydrophobicContact CG2-CG2 4.34Å |
| 206 | D | 94.6 | Very high | 95.4 | Very high | 52 Ų | 52 | 30.7 Ų | 30.7 | 28% | 0.278 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 101.7 | 174.2 | -157.1 | 1.8 | 0 | 0 | 0 | 110.6 | K151 H152 P153 L154 L208 | K151-D206 HydrophobicContact CD-CB 3.99Å; K151-D206 WeakPolarHBondContact CE-OD2 3.32Å; K151-D206 HydrophobicContact CG-CB 3.98Å; K151-D206 IonicContact NZ-OD1 3.23Å; K151-D206 PolarHBondContact NZ-OD1 2.69Å; K151-D206 IonicContact NZ-OD2 3.1Å; K151-D206 PolarHBondContact NZ-OD2 3.36Å; H152-D206 PolarHBondContact O-N 3.36Å; P153-D206 CarbonylContact C-O 3.42Å; P153-D206 WeakPolarHBondContact CA-O 3.13Å; L154-D206 PolarHBondContact N-O 2.72Å; D206-L208 HydrophobicContact CB-CD2 4.21Å; D206-L208 PolarHBondContact O-N 2.73Å |
| 207 | V | 95.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 103.4 | 176.5 | -170.6 | 0 | 0 | 0 | 0 | 108.9 | L154 V190 L193 R194 I205 | L154-V207 HydrophobicContact CD2-CG1 4.16Å; L154-V207 HydrophobicContact CD2-CG2 4.23Å; V190-V207 HydrophobicContact CG1-CB 3.87Å; V190-V207 HydrophobicContact CG1-CG1 3.62Å; V190-V207 HydrophobicContact CG1-CG2 4.32Å; V190-V207 HydrophobicContact CG2-CG1 4.43Å; L193-V207 HydrophobicContact CD2-CG2 4.16Å; R194-V207 HydrophobicContact CG-CG2 4.21Å; R194-V207 PolarHBondContact NH2-O 2.84Å; I205-V207 HydrophobicContact CG2-CG2 4.34Å |
| 208 | L | 93.7 | Very high | 95.3 | Very high | 40 Ų | 40 | 30.2 Ų | 30.2 | 21% | 0.209 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -28.4 | -176 | -63 | -170.3 | 0 | 0 | 0 | 113.5 | P153 L154 D206 A461 Q465 | P153-L208 HydrophobicContact CB-CD1 3.39Å; P153-L208 HydrophobicContact CB-CG 3.92Å; L154-L208 PolarHBondContact O-N 3.23Å; D206-L208 HydrophobicContact CB-CD2 4.21Å; D206-L208 PolarHBondContact O-N 2.73Å; L208-A461 HydrophobicContact CB-CB 4.28Å; L208-A461 HydrophobicContact CD1-CB 4.39Å; L208-Q465 HydrophobicContact CD1-CG 4.01Å |
| 209 | A | 94.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 144.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A155 F156 L167 V460 A461 | A155-A209 CarbonylContact C-O 3.11Å; A155-A209 WeakPolarHBondContact CA-O 3.36Å; A155-A209 HydrophobicContact CB-CB 4.49Å; F156-A209 PolarHBondContact N-O 3.46Å; L167-A209 HydrophobicContact CD1-CB 4.32Å; L167-A209 HydrophobicContact CD2-CB 4.1Å; L167-A209 HydrophobicContact CG-CB 3.82Å; L167-A209 CarbonylContact O-C 3.48Å; L167-A209 VanDerWaalsContact O-CA 3.26Å; L167-A209 WeakPolarHBondContact O-CA 3.43Å; A209-V460 HydrophobicContact CB-CG1 4.13Å; A209-A461 HydrophobicContact CB-CB 4.45Å |
| 210 | M | 95.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.1 | 165.1 | -179.3 | -172.3 | 170.7 | 0 | 0 | 108.5 | F156 F158 C162 H164 L167 V189 V190 | F156-M210 HydrophobicContact CB-CB 4.47Å; F156-M210 HydrophobicContact CB-CG 4.45Å; F156-M210 HydrophobicContact CD1-CG 4.36Å; F156-M210 CarbonylContact O-C 3.18Å; F156-M210 VanDerWaalsContact O-CA 3.23Å; F156-M210 WeakPolarHBondContact O-CA 3.29Å; F158-M210 HydrophobicContact CB-CE 3.44Å; F158-M210 VanDerWaalsContact CB-CE 3.44Å; F158-M210 HydrophobicContact CB-CG 4.3Å; F158-M210 HydrophobicContact CD1-CE 3.15Å; F158-M210 HydrophobicContact CE1-CE 3.99Å; F158-M210 HydrophobicContact CG-CE 3.51Å; C162-M210 HydrophobicContact CB-CE 4.33Å; H164-M210 PolarHBondContact CE1-O 2.9Å; L167-M210 PolarHBondContact O-N 2.86Å; V189-M210 HydrophobicContact CB-CE 3.66Å; V189-M210 HydrophobicContact CB-SD 3.97Å; V189-M210 HydrophobicContact CG1-CE 3.64Å; V189-M210 HydrophobicContact CG1-SD 4.08Å; V189-M210 HydrophobicContact CG2-CE 4.02Å; V190-M210 HydrophobicContact CG2-CB 3.72Å; V190-M210 HydrophobicContact CG2-CG 4.18Å; V190-M210 HydrophobicContact CG2-SD 3.58Å; V190-M210 VanDerWaalsContact CG2-SD 3.58Å |
| 211 | V | 96.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 2% | 0.018 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 154.6 | -175.6 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | V68 F156 T157 F158 L167 V215 A216 A457 V460 | V68-V211 HydrophobicContact CG2-CG1 4.21Å; F156-V211 PolarHBondContact O-N 3.39Å; T157-V211 CarbonylContact C-O 3.41Å; T157-V211 VanDerWaalsContact CA-O 3.3Å; T157-V211 WeakPolarHBondContact CA-O 3.38Å; F158-V211 PolarHBondContact N-O 3.24Å; L167-V211 HydrophobicContact CD1-CG1 4.47Å; V211-V215 HydrophobicContact CB-CB 4.29Å; V211-V215 HydrophobicContact CB-CG1 4.28Å; V211-V215 HydrophobicContact CG1-CG1 4.27Å; V211-A216 HydrophobicContact CG2-CB 4.08Å; V211-A457 HydrophobicContact CG2-CB 3.73Å; V211-V460 HydrophobicContact CG1-CB 4.29Å; V211-V460 HydrophobicContact CG1-CG1 3.85Å; V211-V460 HydrophobicContact CG1-CG2 4.13Å |
| 212 | N | 96.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 16 Ų | 16 | 3% | 0.027 | 9% | 0.085 | C | C | . | . | trans | -73.1 | 154.7 | 169.6 | -170.5 | -96.3 | 0 | 0 | 0 | 110.9 | T214 V215 A216 N239 | N212-T214 VanDerWaalsContact C-N 3.27Å; N212-T214 PolarHBondContact O-N 2.85Å; N212-T214 WeakPolarHBondContact OD1-CB 3.36Å; N212-T214 WeakPolarHBondContact OD1-CG2 3.19Å; N212-T214 PolarHBondContact OD1-N 3.47Å; N212-T214 VanDerWaalsContact OD1-N 3.13Å; N212-T214 PolarHBondContact OD1-OG1 3.45Å; N212-V215 HydrophobicContact CB-CG2 4.19Å; N212-V215 WeakPolarHBondContact O-CB 3.33Å; N212-V215 PolarHBondContact O-N 2.75Å; N212-V215 VanDerWaalsContact O-N 3.17Å; N212-A216 PolarHBondContact O-N 3.29Å; N212-N239 PolarHBondContact OD1-ND2 3.35Å | ||
| 213 | D | 95.3 | Very high | 94.8 | Very high | 14 Ų | 14 | 12.3 Ų | 12.3 | 8% | 0.075 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.3 | -30.4 | 178.6 | 52.4 | 2.7 | 0 | 0 | 0 | 113.6 | T157 S159 A216 T217 I233 | T157-D213 HydrophobicContact CG2-CB 3.97Å; S159-D213 WeakPolarHBondContact CB-OD2 3.35Å; S159-D213 VanDerWaalsContact OG-CB 3.27Å; S159-D213 WeakPolarHBondContact OG-CB 3.37Å; S159-D213 PolarHBondContact OG-OD2 2.66Å; D213-A216 PolarHBondContact O-N 3.07Å; D213-T217 VanDerWaalsContact O-CB 3.31Å; D213-T217 WeakPolarHBondContact O-CB 3.41Å; D213-T217 PolarHBondContact O-N 2.79Å; D213-T217 PolarHBondContact O-OG1 2.77Å; D213-I233 HydrophobicContact CB-CD1 4.31Å; D213-I233 HydrophobicContact CB-CG1 4.37Å |
| 214 | T | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.2 | -49.7 | 170.9 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | N212 A216 T217 M218 G231 I233 N239 C241 | N212-T214 VanDerWaalsContact C-N 3.27Å; N212-T214 PolarHBondContact O-N 2.85Å; N212-T214 WeakPolarHBondContact OD1-CB 3.36Å; N212-T214 WeakPolarHBondContact OD1-CG2 3.19Å; N212-T214 PolarHBondContact OD1-N 3.47Å; N212-T214 VanDerWaalsContact OD1-N 3.13Å; N212-T214 PolarHBondContact OD1-OG1 3.45Å; T214-A216 VanDerWaalsContact C-N 3.32Å; T214-A216 PolarHBondContact O-N 3.33Å; T214-T217 WeakPolarHBondContact O-CB 3.19Å; T214-T217 PolarHBondContact O-N 2.97Å; T214-M218 PolarHBondContact O-N 3.18Å; T214-G231 WeakPolarHBondContact O-CA 3.13Å; T214-I233 HydrophobicContact CG2-CB 4.13Å; T214-I233 HydrophobicContact CG2-CG1 3.57Å; T214-N239 VanDerWaalsContact CG2-C 3.44Å; T214-N239 HydrophobicContact CG2-CB 3.6Å; T214-N239 WeakPolarHBondContact CG2-O 3.28Å; T214-C241 PolarHBondContact O-SG 3.24Å; T214-C241 VanDerWaalsContact O-SG 3.39Å; T214-C241 WeakPolarHBondContact OG1-CB 3.4Å |
| 215 | V | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 178.6 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | T66 V68 V211 N212 T217 M218 M219 C241 V460 | T66-V215 HydrophobicContact CG2-CG2 3.67Å; V68-V215 HydrophobicContact CB-CG1 4.33Å; V68-V215 HydrophobicContact CG2-CG1 3.84Å; V211-V215 HydrophobicContact CB-CB 4.29Å; V211-V215 HydrophobicContact CB-CG1 4.28Å; V211-V215 HydrophobicContact CG1-CG1 4.27Å; N212-V215 HydrophobicContact CB-CG2 4.19Å; N212-V215 WeakPolarHBondContact O-CB 3.33Å; N212-V215 PolarHBondContact O-N 2.75Å; N212-V215 VanDerWaalsContact O-N 3.17Å; V215-T217 VanDerWaalsContact C-N 3.32Å; V215-T217 PolarHBondContact O-N 2.68Å; V215-M218 WeakPolarHBondContact O-CB 3.38Å; V215-M218 PolarHBondContact O-N 3.47Å; V215-M219 HydrophobicContact CG1-CG 4.41Å; V215-M219 WeakPolarHBondContact O-CG 3.23Å; V215-M219 PolarHBondContact O-N 2.8Å; V215-C241 VanDerWaalsContact CA-SG 3.51Å; V215-C241 HydrophobicContact CG2-CB 4.11Å; V215-C241 PolarHBondContact N-SG 3.15Å; V215-C241 VanDerWaalsContact N-SG 3.39Å; V215-V460 HydrophobicContact CG1-CG2 4.43Å |
| 216 | A | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.2 | -38.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T157 V211 N212 D213 T214 M219 T220 S453 G456 A457 | T157-A216 HydrophobicContact CG2-CB 4.28Å; V211-A216 HydrophobicContact CG2-CB 4.08Å; N212-A216 PolarHBondContact O-N 3.29Å; D213-A216 PolarHBondContact O-N 3.07Å; T214-A216 VanDerWaalsContact C-N 3.32Å; T214-A216 PolarHBondContact O-N 3.33Å; A216-M219 PolarHBondContact O-N 3.04Å; A216-T220 WeakPolarHBondContact O-CB 3.35Å; A216-T220 PolarHBondContact O-N 2.93Å; A216-T220 PolarHBondContact O-OG1 3.03Å; A216-S453 WeakPolarHBondContact CB-O 3.24Å; A216-G456 WeakPolarHBondContact O-CA 3.25Å; A216-A457 HydrophobicContact CB-CB 4.5Å |
| 217 | T | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 173.5 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | D213 T214 V215 M219 T220 C221 I233 D417 | D213-T217 VanDerWaalsContact O-CB 3.31Å; D213-T217 WeakPolarHBondContact O-CB 3.41Å; D213-T217 PolarHBondContact O-N 2.79Å; D213-T217 PolarHBondContact O-OG1 2.77Å; T214-T217 WeakPolarHBondContact O-CB 3.19Å; T214-T217 PolarHBondContact O-N 2.97Å; V215-T217 VanDerWaalsContact C-N 3.32Å; V215-T217 PolarHBondContact O-N 2.68Å; T217-M219 VanDerWaalsContact C-N 3.31Å; T217-M219 PolarHBondContact O-N 2.77Å; T217-T220 PolarHBondContact O-N 2.78Å; T217-C221 PolarHBondContact O-N 3.48Å; T217-I233 WeakPolarHBondContact OG1-CD1 3.26Å; T217-D417 HydrophobicContact CG2-CB 3.87Å |
| 218 | M | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.6 | -45.4 | 175.4 | -172.4 | -175.8 | 70.4 | 0 | 0 | 111.2 | T71 T214 V215 C221 G222 C228 E229 M243 C260 | T71-M218 HydrophobicContact CG2-CE 4.37Å; T214-M218 PolarHBondContact O-N 3.18Å; V215-M218 WeakPolarHBondContact O-CB 3.38Å; V215-M218 PolarHBondContact O-N 3.47Å; M218-C221 PolarHBondContact O-N 3.11Å; M218-G222 WeakPolarHBondContact O-CA 3.44Å; M218-G222 PolarHBondContact O-N 2.66Å; M218-C228 PolarHBondContact O-SG 2.87Å; M218-C228 VanDerWaalsContact O-SG 3.37Å; M218-E229 VanDerWaalsContact SD-C 3.54Å; M218-M243 HydrophobicContact CE-CG 4.25Å; M218-M243 HydrophobicContact CE-SD 3.72Å; M218-M243 HydrophobicContact SD-CG 4.14Å; M218-M243 HydrophobicContact SD-SD 4.35Å; M218-C260 HydrophobicContact CE-CB 3.87Å; M218-C260 WeakPolarHBondContact CE-SG 3.4Å |
| 219 | M | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.6 | -38.6 | -178.1 | -64.2 | -66.7 | -72.2 | 0 | 0 | 112.1 | V68 S70 T71 P72 V215 A216 T217 G222 F223 V460 V463 | V68-M219 HydrophobicContact CG1-CE 4.11Å; V68-M219 HydrophobicContact CG1-SD 3.93Å; S70-M219 WeakPolarHBondContact O-CE 3.12Å; T71-M219 HydrophobicContact CG2-SD 4.41Å; P72-M219 HydrophobicContact CG-CE 3.86Å; V215-M219 HydrophobicContact CG1-CG 4.41Å; V215-M219 WeakPolarHBondContact O-CG 3.23Å; V215-M219 PolarHBondContact O-N 2.8Å; A216-M219 PolarHBondContact O-N 3.04Å; T217-M219 VanDerWaalsContact C-N 3.31Å; T217-M219 PolarHBondContact O-N 2.77Å; M219-G222 PolarHBondContact O-N 3.17Å; M219-F223 PolarHBondContact O-N 2.87Å; M219-F223 VanDerWaalsContact O-N 3.09Å; M219-V460 HydrophobicContact CB-CG2 4.18Å; M219-V460 HydrophobicContact CE-CG2 3.89Å; M219-V460 HydrophobicContact CG-CG2 3.57Å; M219-V460 HydrophobicContact SD-CG2 4.39Å; M219-V463 HydrophobicContact CE-CB 4.36Å; M219-V463 HydrophobicContact CE-CG2 3.83Å |
| 220 | T | 93.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.012 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.9 | -51.3 | 173.3 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | A216 T217 S449 G452 K455 G456 | A216-T220 WeakPolarHBondContact O-CB 3.35Å; A216-T220 PolarHBondContact O-N 2.93Å; A216-T220 PolarHBondContact O-OG1 3.03Å; T217-T220 PolarHBondContact O-N 2.78Å; T220-S449 WeakPolarHBondContact CG2-OG 3.48Å; T220-G452 PolarHBondContact OG1-O 3.43Å; T220-K455 HydrophobicContact CG2-CB 4.05Å; T220-K455 HydrophobicContact CG2-CD 3.82Å; T220-K455 HydrophobicContact CG2-CG 4.21Å; T220-G456 WeakPolarHBondContact OG1-CA 3.4Å; T220-G456 PolarHBondContact OG1-N 2.97Å |
| 221 | C | 93.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.007 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -73.1 | -29.8 | -179.9 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | T217 M218 F223 D224 D225 C228 G415 V447 | T217-C221 PolarHBondContact O-N 3.48Å; M218-C221 PolarHBondContact O-N 3.11Å; C221-F223 VanDerWaalsContact C-N 3.3Å; C221-F223 PolarHBondContact O-N 3.48Å; C221-D224 PolarHBondContact O-N 2.86Å; C221-D225 PolarHBondContact O-N 3.16Å; C221-C228 HydrophobicContact CB-CB 4.43Å; C221-G415 WeakPolarHBondContact SG-CA 3.43Å; C221-V447 HydrophobicContact CB-CB 4.41Å; C221-V447 HydrophobicContact CB-CG1 4.19Å |
| 222 | G | 91.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.9 | -27.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | M218 M219 D224 D225 Q226 C228 | M218-G222 WeakPolarHBondContact O-CA 3.44Å; M218-G222 PolarHBondContact O-N 2.66Å; M219-G222 PolarHBondContact O-N 3.17Å; G222-D224 VanDerWaalsContact C-N 3.33Å; G222-D225 WeakPolarHBondContact CA-O 3.46Å; G222-D225 CarbonylContact O-C 3.2Å; G222-Q226 PolarHBondContact O-NE2 3Å; G222-C228 VanDerWaalsContact CA-CB 3.49Å |
| 223 | F | 88.9 | Confident | 94.5 | Very high | 28 Ų | 28 | 18.5 Ų | 18.5 | 12% | 0.123 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 170.7 | -170.1 | -95.7 | 0 | 0 | 0 | 112.1 | P72 V97 G106 V108 M219 C221 L459 | P72-F223 HydrophobicContact CB-CB 4.26Å; P72-F223 HydrophobicContact CB-CD2 3.83Å; P72-F223 HydrophobicContact CG-CB 4.22Å; P72-F223 HydrophobicContact CG-CD2 4.45Å; V97-F223 HydrophobicContact CG1-CE2 4.31Å; V97-F223 HydrophobicContact CG1-CZ 4.45Å; G106-F223 VanDerWaalsContact O-CE1 3.28Å; G106-F223 WeakPolarHBondContact O-CE1 3.46Å; G106-F223 VanDerWaalsContact O-CZ 3.25Å; G106-F223 WeakPolarHBondContact O-CZ 3.33Å; V108-F223 HydrophobicContact CG2-CD1 4.2Å; V108-F223 HydrophobicContact CG2-CE1 3.62Å; V108-F223 HydrophobicContact CG2-CE2 4.41Å; V108-F223 HydrophobicContact CG2-CZ 3.74Å; M219-F223 PolarHBondContact O-N 2.87Å; M219-F223 VanDerWaalsContact O-N 3.09Å; C221-F223 VanDerWaalsContact C-N 3.3Å; C221-F223 PolarHBondContact O-N 3.48Å; F223-L459 HydrophobicContact CB-CD1 3.69Å; F223-L459 HydrophobicContact CD2-CD1 4.16Å; F223-L459 HydrophobicContact CD2-CD2 3.51Å; F223-L459 HydrophobicContact CD2-CG 4.49Å; F223-L459 HydrophobicContact CE2-CD2 3.87Å; F223-L459 HydrophobicContact CG-CD1 4.03Å; F223-L459 HydrophobicContact CG-CD2 4.16Å |
| 224 | D | 86.4 | Confident | 94.6 | Very high | 109 Ų | 109 | 17.8 Ų | 17.8 | 58% | 0.583 | 9% | 0.086 | S | C | * | . | H | α-helix | trans | -87.9 | -24.2 | -177.8 | -56.4 | -39.4 | 0 | 0 | 0 | 112.4 | C221 G222 K455 | C221-D224 PolarHBondContact O-N 2.86Å; G222-D224 VanDerWaalsContact C-N 3.33Å; D224-K455 IonicContact OD1-NZ 3.91Å; D224-K455 PolarHBondContact OD1-NZ 3.11Å; D224-K455 IonicContact OD2-NZ 2.66Å; D224-K455 PolarHBondContact OD2-NZ 3.24Å |
| 225 | D | 89.8 | Confident | 94.4 | Very high | 15 Ų | 15 | 18 Ų | 18 | 8% | 0.08 | 9% | 0.088 | C | C | . | . | trans | -142.2 | 106.9 | 179.9 | -170.3 | -16.5 | 0 | 0 | 0 | 112 | C221 G222 F227 C228 T413 R445 | C221-D225 PolarHBondContact O-N 3.16Å; G222-D225 WeakPolarHBondContact CA-O 3.46Å; G222-D225 CarbonylContact O-C 3.2Å; D225-F227 PolarHBondContact O-N 2.88Å; D225-F227 WeakPolarHBondContact OD1-CB 3.29Å; D225-F227 WeakPolarHBondContact OD1-CD2 3.21Å; D225-F227 PolarHBondContact OD1-N 2.65Å; D225-C228 VanDerWaalsContact O-CB 3.22Å; D225-C228 WeakPolarHBondContact O-CB 3.42Å; D225-C228 PolarHBondContact O-N 3.22Å; D225-T413 HydrophobicContact CB-CG2 4.33Å; D225-T413 PolarHBondContact OD2-OG1 3.18Å; D225-R445 WeakPolarHBondContact OD2-CD 3.29Å; D225-R445 IonicContact OD2-CZ 3.4Å; D225-R445 IonicContact OD2-NE 3.19Å; D225-R445 IonicContact OD2-NH1 3.21Å; D225-R445 PolarHBondContact OD2-NH1 3.24Å | ||
| 226 | Q | 88.3 | Confident | 94.2 | Very high | 101 Ų | 101 | 19.6 Ų | 19.6 | 47% | 0.472 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -10.8 | -179.4 | -66.6 | -64.5 | -38.6 | 0 | 0 | 114.7 | P72 G222 C228 | P72-Q226 PolarHBondContact O-NE2 2.78Å; P72-Q226 PolarHBondContact O-OE1 3.09Å; P72-Q226 VanDerWaalsContact O-OE1 3.11Å; G222-Q226 PolarHBondContact O-NE2 3Å; Q226-C228 VanDerWaalsContact C-N 3.3Å |
| 227 | F | 94.2 | Very high | 94.1 | Very high | 90 Ų | 90 | 19.8 Ų | 19.8 | 40% | 0.395 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -0.5 | 171.7 | -66.2 | -80.6 | 0 | 0 | 0 | 113.2 | D225 E229 R411 T413 | D225-F227 PolarHBondContact O-N 2.88Å; D225-F227 WeakPolarHBondContact OD1-CB 3.29Å; D225-F227 WeakPolarHBondContact OD1-CD2 3.21Å; D225-F227 PolarHBondContact OD1-N 2.65Å; F227-E229 PolarHBondContact O-N 3.43Å; F227-R411 HydrophobicContact CD1-CG 4.25Å; F227-R411 HydrophobicContact CE1-CG 4.4Å; F227-T413 PolarHBondContact O-N 2.71Å |
| 228 | C | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 116.4 | -178.2 | -168.3 | 0 | 0 | 0 | 0 | 111.4 | M218 C221 G222 D225 Q226 T413 | M218-C228 PolarHBondContact O-SG 2.87Å; M218-C228 VanDerWaalsContact O-SG 3.37Å; C221-C228 HydrophobicContact CB-CB 4.43Å; G222-C228 VanDerWaalsContact CA-CB 3.49Å; D225-C228 VanDerWaalsContact O-CB 3.22Å; D225-C228 WeakPolarHBondContact O-CB 3.42Å; D225-C228 PolarHBondContact O-N 3.22Å; Q226-C228 VanDerWaalsContact C-N 3.3Å; C228-T413 WeakPolarHBondContact CA-O 3.02Å; C228-T413 HydrophobicContact CB-CG2 4.03Å |
| 229 | E | 97.2 | Very high | 94.1 | Very high | 16 Ų | 16 | 20.3 Ų | 20.3 | 8% | 0.075 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 9.9 | -178.8 | -59 | -177.2 | 119.3 | 0 | 0 | 112.7 | M218 F227 Y242 M243 R258 R405 I412 T413 | M218-E229 VanDerWaalsContact SD-C 3.54Å; F227-E229 PolarHBondContact O-N 3.43Å; E229-Y242 CarbonylContact O-C 3.55Å; E229-Y242 WeakPolarHBondContact O-CA 3.48Å; E229-Y242 WeakPolarHBondContact O-CB 3.12Å; E229-M243 HydrophobicContact CB-CB 4.34Å; E229-M243 HydrophobicContact CB-CG 4.22Å; E229-M243 PolarHBondContact O-N 3Å; E229-R258 IonicContact OE1-CZ 2.7Å; E229-R258 IonicContact OE1-NH1 3.21Å; E229-R258 PolarHBondContact OE1-NH1 3.19Å; E229-R258 IonicContact OE1-NH2 3.4Å; E229-R405 IonicContact OE1-CZ 3.36Å; E229-R405 IonicContact OE1-NH1 2.88Å; E229-R405 IonicContact OE1-NH2 3.19Å; E229-R405 PolarHBondContact OE1-NH2 2.68Å; E229-R405 IonicContact OE2-CZ 3.52Å; E229-R405 IonicContact OE2-NH1 3.2Å; E229-R405 PolarHBondContact OE2-NH1 3.25Å; E229-R405 IonicContact OE2-NH2 2.64Å; E229-R405 PolarHBondContact OE2-NH2 2.78Å; E229-I412 HydrophobicContact CB-CD1 4.03Å; E229-I412 HydrophobicContact CB-CG1 4.32Å; E229-T413 PolarHBondContact N-O 2.95Å |
| 230 | V | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 130.3 | 176.1 | -176.7 | 0 | 0 | 0 | 0 | 108.6 | C241 L394 V397 L398 I401 I412 V414 G415 | V230-C241 CarbonylContact C-O 3.58Å; V230-C241 VanDerWaalsContact CA-O 3.3Å; V230-C241 WeakPolarHBondContact CA-O 3.43Å; V230-C241 WeakPolarHBondContact CG1-O 3.24Å; V230-L394 HydrophobicContact CG1-CD1 3.94Å; V230-V397 HydrophobicContact CG1-CG1 4.44Å; V230-V397 HydrophobicContact CG2-CG1 4.14Å; V230-L398 HydrophobicContact CG2-CD2 4.18Å; V230-I401 HydrophobicContact CG2-CD1 3.79Å; V230-I412 HydrophobicContact CG2-CD1 4.03Å; V230-V414 HydrophobicContact CB-CB 4.42Å; V230-V414 HydrophobicContact CB-CG1 4.16Å; V230-V414 HydrophobicContact CB-CG2 4.12Å; V230-V414 HydrophobicContact CG1-CG1 3.96Å; V230-V414 HydrophobicContact CG1-CG2 4.45Å; V230-V414 HydrophobicContact CG2-CG2 4.49Å; V230-G415 PolarHBondContact O-N 3.22Å |
| 231 | G | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | T214 A240 C241 G415 | T214-G231 WeakPolarHBondContact O-CA 3.13Å; G231-A240 CarbonylContact O-C 3.25Å; G231-A240 WeakPolarHBondContact O-CA 3.42Å; G231-C241 PolarHBondContact N-O 3Å; G231-C241 PolarHBondContact O-N 3.14Å; G231-G415 CarbonylContact C-O 3.49Å; G231-G415 WeakPolarHBondContact CA-O 3.47Å |
| 232 | L | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 125.1 | -174.2 | 176.7 | 59.1 | 0 | 0 | 0 | 110.7 | I234 A240 W265 V390 L394 V414 G415 V416 D417 L431 | L232-I234 HydrophobicContact CD1-CD1 4.49Å; L232-I234 HydrophobicContact CD1-CG1 4.14Å; L232-I234 HydrophobicContact CD2-CD1 4.02Å; L232-I234 HydrophobicContact CD2-CG1 4.44Å; L232-I234 HydrophobicContact CG-CD1 4.16Å; L232-I234 HydrophobicContact CG-CG1 4.03Å; L232-A240 HydrophobicContact CD1-CB 4.26Å; L232-W265 HydrophobicContact CD1-CH2 3.35Å; L232-W265 HydrophobicContact CD1-CZ2 3.28Å; L232-V390 HydrophobicContact CD1-CG1 4.22Å; L232-V390 HydrophobicContact CD2-CG1 4.36Å; L232-L394 HydrophobicContact CD2-CD2 4.24Å; L232-V414 HydrophobicContact CB-CG1 3.87Å; L232-V414 HydrophobicContact CD2-CG1 4.13Å; L232-G415 PolarHBondContact N-O 2.62Å; L232-V416 HydrophobicContact CB-CG1 4.46Å; L232-V416 HydrophobicContact CB-CG2 4.33Å; L232-V416 HydrophobicContact CD2-CG1 4.34Å; L232-V416 HydrophobicContact CD2-CG2 4.21Å; L232-V416 HydrophobicContact CG-CG1 4.29Å; L232-V416 CarbonylContact O-C 3.43Å; L232-V416 WeakPolarHBondContact O-CA 3.44Å; L232-D417 PolarHBondContact O-N 2.89Å; L232-L431 HydrophobicContact CD2-CD2 4.36Å |
| 233 | I | 97 | Very high | 95.1 | Very high | 12 Ų | 12 | 20.3 Ų | 20.3 | 6% | 0.062 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.2 | 174.9 | -61.3 | -61.5 | 0 | 0 | 0 | 110 | D213 T214 T217 T238 N239 D417 | D213-I233 HydrophobicContact CB-CD1 4.31Å; D213-I233 HydrophobicContact CB-CG1 4.37Å; T214-I233 HydrophobicContact CG2-CB 4.13Å; T214-I233 HydrophobicContact CG2-CG1 3.57Å; T217-I233 WeakPolarHBondContact OG1-CD1 3.26Å; I233-T238 WeakPolarHBondContact O-CA 3.37Å; I233-T238 WeakPolarHBondContact O-CB 3.25Å; I233-T238 PolarHBondContact O-OG1 2.95Å; I233-N239 PolarHBondContact N-O 2.88Å; I233-N239 PolarHBondContact O-N 2.95Å; I233-D417 WeakPolarHBondContact CA-O 3.49Å; I233-D417 HydrophobicContact CD1-CB 3.76Å |
| 234 | I | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 78.1 | 172.9 | -44.5 | 171.1 | 0 | 0 | 0 | 108.4 | L232 V390 D417 G418 T419 V420 Y421 Y427 L431 | L232-I234 HydrophobicContact CD1-CD1 4.49Å; L232-I234 HydrophobicContact CD1-CG1 4.14Å; L232-I234 HydrophobicContact CD2-CD1 4.02Å; L232-I234 HydrophobicContact CD2-CG1 4.44Å; L232-I234 HydrophobicContact CG-CD1 4.16Å; L232-I234 HydrophobicContact CG-CG1 4.03Å; I234-V390 HydrophobicContact CD1-CG1 3.83Å; I234-V390 HydrophobicContact CG1-CG1 4.36Å; I234-D417 PolarHBondContact N-O 3.41Å; I234-G418 CarbonylContact O-C 3.57Å; I234-G418 VanDerWaalsContact O-CA 3.26Å; I234-G418 WeakPolarHBondContact O-CA 3.45Å; I234-T419 PolarHBondContact O-N 3.46Å; I234-V420 HydrophobicContact CG2-CB 4.09Å; I234-V420 HydrophobicContact CG2-CG1 4.31Å; I234-V420 WeakPolarHBondContact O-CB 3.33Å; I234-V420 PolarHBondContact O-N 3.01Å; I234-V420 VanDerWaalsContact O-N 3.12Å; I234-Y421 HydrophobicContact CD1-CD2 4.05Å; I234-Y421 PolarHBondContact O-N 3.25Å; I234-Y427 HydrophobicContact CD1-CE1 3.89Å; I234-Y427 HydrophobicContact CG2-CE1 3.99Å; I234-L431 HydrophobicContact CD1-CD2 3.81Å |
| 235 | G | 93.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 4% | 0.041 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -133.3 | -132.2 | -175 | 0 | 0 | 0 | 0 | 0 | 111.4 | G237 G303 | G235-G237 CarbonylContact C-O 3.53Å; G235-G237 PolarHBondContact N-O 2.81Å; G235-G237 PolarHBondContact O-N 2.72Å; G235-G303 WeakPolarHBondContact O-CA 3.41Å; G235-G303 PolarHBondContact O-N 2.9Å |
| 236 | T | 91.8 | Very high | 95.7 | Very high | 33 Ų | 33 | 15.1 Ų | 15.1 | 20% | 0.202 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -55.8 | -43.7 | 171.7 | -54.5 | 0 | 0 | 0 | 0 | 111 | S88 K177 S302 L304 | S88-T236 PolarHBondContact OG-OG1 3.33Å; S88-T236 VanDerWaalsContact OG-OG1 3.09Å; K177-T236 HydrophobicContact CB-CG2 4.42Å; K177-T236 HydrophobicContact CG-CG2 4.38Å; T236-S302 VanDerWaalsContact O-CB 3.31Å; T236-S302 WeakPolarHBondContact O-CB 3.22Å; T236-S302 PolarHBondContact O-OG 3.12Å; T236-L304 HydrophobicContact CG2-CB 4.14Å; T236-L304 HydrophobicContact CG2-CD2 4.45Å; T236-L304 VanDerWaalsContact O-CB 3.23Å; T236-L304 WeakPolarHBondContact O-CB 3.07Å; T236-L304 PolarHBondContact O-N 3.07Å |
| 237 | G | 93.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 4% | 0.041 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -109.6 | -177.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112 | G235 E298 S302 | G235-G237 CarbonylContact C-O 3.53Å; G235-G237 PolarHBondContact N-O 2.81Å; G235-G237 PolarHBondContact O-N 2.72Å; G237-E298 WeakPolarHBondContact CA-OE2 3.36Å; G237-S302 VanDerWaalsContact C-CB 3.49Å |
| 238 | T | 96.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 2% | 0.018 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 135.7 | 166.5 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | I233 W265 E298 V301 | I233-T238 WeakPolarHBondContact O-CA 3.37Å; I233-T238 WeakPolarHBondContact O-CB 3.25Å; I233-T238 PolarHBondContact O-OG1 2.95Å; T238-W265 VanDerWaalsContact C-NE1 3.31Å; T238-W265 PolarHBondContact O-NE1 3.15Å; T238-W265 PolarHBondContact OG1-NE1 3.05Å; T238-W265 VanDerWaalsContact OG1-NE1 3.16Å; T238-E298 HydrophobicContact CG2-CB 4.07Å; T238-E298 HydrophobicContact CG2-CG 4.18Å; T238-E298 PolarHBondContact N-OE2 3.46Å; T238-V301 HydrophobicContact CG2-CB 4.01Å; T238-V301 HydrophobicContact CG2-CG1 3.74Å |
| 239 | N | 97.7 | Very high | 95.6 | Very high | 9 Ų | 9 | 15.3 Ų | 15.3 | 5% | 0.048 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 163.3 | 176.9 | -166.1 | 19.8 | 0 | 0 | 0 | 110.6 | N212 T214 I233 N262 T263 E264 W265 | N212-N239 PolarHBondContact OD1-ND2 3.35Å; T214-N239 VanDerWaalsContact CG2-C 3.44Å; T214-N239 HydrophobicContact CG2-CB 3.6Å; T214-N239 WeakPolarHBondContact CG2-O 3.28Å; I233-N239 PolarHBondContact N-O 2.88Å; I233-N239 PolarHBondContact O-N 2.95Å; N239-N262 PolarHBondContact ND2-OD1 3.44Å; N239-T263 PolarHBondContact OD1-OG1 3.12Å; N239-E264 PolarHBondContact ND2-OE1 3.34Å; N239-E264 WeakPolarHBondContact OD1-CA 3.05Å; N239-E264 PolarHBondContact OD1-N 2.96Å; N239-E264 VanDerWaalsContact OD1-N 3.1Å; N239-W265 VanDerWaalsContact CA-CD1 3.41Å; N239-W265 PolarHBondContact OD1-N 2.96Å |
| 240 | A | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 150.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G231 L232 T263 W265 | G231-A240 CarbonylContact O-C 3.25Å; G231-A240 WeakPolarHBondContact O-CA 3.42Å; L232-A240 HydrophobicContact CD1-CB 4.26Å; A240-T263 WeakPolarHBondContact O-CB 3.24Å; A240-T263 WeakPolarHBondContact O-CG2 3.25Å; A240-T263 PolarHBondContact O-N 3.35Å; A240-T263 PolarHBondContact O-OG1 3.45Å; A240-W265 HydrophobicContact CB-CD2 3.87Å; A240-W265 HydrophobicContact CB-CE3 3.61Å; A240-W265 HydrophobicContact CB-CH2 3.63Å; A240-W265 HydrophobicContact CB-CZ2 3.87Å; A240-W265 HydrophobicContact CB-CZ3 3.48Å; A240-W265 VanDerWaalsContact CB-CZ3 3.48Å |
| 241 | C | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 160.1 | 166 | 75.2 | 0 | 0 | 0 | 0 | 110.1 | T214 V215 V230 G231 V261 | T214-C241 PolarHBondContact O-SG 3.24Å; T214-C241 VanDerWaalsContact O-SG 3.39Å; T214-C241 WeakPolarHBondContact OG1-CB 3.4Å; V215-C241 VanDerWaalsContact CA-SG 3.51Å; V215-C241 HydrophobicContact CG2-CB 4.11Å; V215-C241 PolarHBondContact N-SG 3.15Å; V215-C241 VanDerWaalsContact N-SG 3.39Å; V230-C241 CarbonylContact C-O 3.58Å; V230-C241 VanDerWaalsContact CA-O 3.3Å; V230-C241 WeakPolarHBondContact CA-O 3.43Å; V230-C241 WeakPolarHBondContact CG1-O 3.24Å; G231-C241 PolarHBondContact N-O 3Å; G231-C241 PolarHBondContact O-N 3.14Å; C241-V261 CarbonylContact C-O 3.53Å; C241-V261 WeakPolarHBondContact CA-O 3.46Å; C241-V261 VanDerWaalsContact CB-O 3.28Å; C241-V261 WeakPolarHBondContact CB-O 3.19Å |
| 242 | Y | 98.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 161.7 | 174.5 | 73.1 | -74.4 | 0 | 0 | 0 | 112.4 | M47 M63 E229 E244 C260 V261 T263 V397 R400 I401 | M47-Y242 HydrophobicContact CE-CD1 4.32Å; M47-Y242 HydrophobicContact CE-CE1 3.44Å; M47-Y242 VanDerWaalsContact CE-CE1 3.44Å; M47-Y242 HydrophobicContact CE-CE2 4.41Å; M47-Y242 VanDerWaalsContact CE-CZ 3.48Å; M47-Y242 WeakPolarHBondContact CE-OH 3.39Å; M63-Y242 HydrophobicContact CE-CE1 3.69Å; M63-Y242 VanDerWaalsContact CE-OH 3.25Å; M63-Y242 WeakPolarHBondContact CE-OH 3.37Å; E229-Y242 CarbonylContact O-C 3.55Å; E229-Y242 WeakPolarHBondContact O-CA 3.48Å; E229-Y242 WeakPolarHBondContact O-CB 3.12Å; Y242-E244 HydrophobicContact CD2-CB 4.4Å; Y242-E244 HydrophobicContact CE2-CB 3.67Å; Y242-E244 HydrophobicContact CE2-CG 4.26Å; Y242-E244 WeakPolarHBondContact CE2-OE2 3.2Å; Y242-E244 PolarHBondContact O-N 2.67Å; Y242-E244 PolarHBondContact OH-OE2 3.13Å; Y242-C260 CarbonylContact O-C 3.12Å; Y242-C260 WeakPolarHBondContact O-CA 3.29Å; Y242-V261 HydrophobicContact CE1-CB 4.36Å; Y242-V261 PolarHBondContact N-O 2.91Å; Y242-V261 PolarHBondContact O-N 3.46Å; Y242-T263 HydrophobicContact CD1-CG2 4.04Å; Y242-T263 HydrophobicContact CE1-CG2 4.03Å; Y242-V397 HydrophobicContact CD1-CG1 3.9Å; Y242-V397 HydrophobicContact CD2-CG1 4.26Å; Y242-V397 HydrophobicContact CG-CG1 3.67Å; Y242-R400 HydrophobicContact CE2-CG 4.22Å; Y242-I401 HydrophobicContact CD2-CD1 3.95Å; Y242-I401 HydrophobicContact CD2-CG1 3.72Å; Y242-I401 HydrophobicContact CE2-CG1 4.29Å; Y242-I401 HydrophobicContact CG-CD1 4.4Å |
| 243 | M | 97.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 110.5 | 173.4 | -62.8 | -60.1 | -64.2 | 0 | 0 | 111.3 | T71 M218 E229 R258 C260 | T71-M243 HydrophobicContact CG2-CG 4.5Å; M218-M243 HydrophobicContact CE-CG 4.25Å; M218-M243 HydrophobicContact CE-SD 3.72Å; M218-M243 HydrophobicContact SD-CG 4.14Å; M218-M243 HydrophobicContact SD-SD 4.35Å; E229-M243 HydrophobicContact CB-CB 4.34Å; E229-M243 HydrophobicContact CB-CG 4.22Å; E229-M243 PolarHBondContact O-N 3Å; M243-R258 HydrophobicContact CE-CB 3.75Å; M243-C260 HydrophobicContact SD-CB 3.68Å |
| 244 | E | 97.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 153.5 | 174.8 | -177.8 | 55.1 | -92.7 | 0 | 0 | 110.6 | L51 Y242 H248 I249 R258 M259 V261 R400 N404 | L51-E244 HydrophobicContact CD1-CG 4.12Å; L51-E244 HydrophobicContact CD2-CG 4.39Å; Y242-E244 HydrophobicContact CD2-CB 4.4Å; Y242-E244 HydrophobicContact CE2-CB 3.67Å; Y242-E244 HydrophobicContact CE2-CG 4.26Å; Y242-E244 WeakPolarHBondContact CE2-OE2 3.2Å; Y242-E244 PolarHBondContact O-N 2.67Å; Y242-E244 PolarHBondContact OH-OE2 3.13Å; E244-H248 HydrophobicContact CG-CB 4.26Å; E244-H248 IonicContact OE1-CE1 3.44Å; E244-H248 IonicContact OE1-CG 2.79Å; E244-H248 IonicContact OE1-ND1 3.15Å; E244-H248 PolarHBondContact OE1-ND1 3.29Å; E244-I249 HydrophobicContact CB-CD1 4.18Å; E244-I249 HydrophobicContact CB-CG1 4.46Å; E244-I249 HydrophobicContact CG-CD1 4.2Å; E244-I249 HydrophobicContact CG-CG1 3.93Å; E244-R258 CarbonylContact O-C 3.59Å; E244-R258 WeakPolarHBondContact O-CA 3.45Å; E244-R258 VanDerWaalsContact O-CB 3.24Å; E244-R258 WeakPolarHBondContact O-CB 3.15Å; E244-M259 PolarHBondContact N-O 3.42Å; E244-M259 PolarHBondContact O-N 2.66Å; E244-V261 HydrophobicContact CB-CB 4.42Å; E244-V261 HydrophobicContact CB-CG2 3.74Å; E244-V261 HydrophobicContact CG-CG2 4.37Å; E244-R400 IonicContact OE2-CZ 3.13Å; E244-R400 IonicContact OE2-NE 3.3Å; E244-R400 PolarHBondContact OE2-NE 3.37Å; E244-R400 IonicContact OE2-NH2 3.51Å; E244-N404 PolarHBondContact OE1-ND2 2.65Å; E244-N404 PolarHBondContact OE2-ND2 3.34Å |
| 245 | E | 92.5 | Very high | 90.5 | Very high | 40 Ų | 40 | 38.6 Ų | 38.6 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 132.4 | 175.1 | -56.5 | -63.8 | 146.7 | 0 | 0 | 109.7 | R247 H248 R258 N404 | E245-R247 HydrophobicContact CB-CG 4.03Å; E245-R247 PolarHBondContact O-N 3.36Å; E245-H248 WeakPolarHBondContact O-CB 3.47Å; E245-H248 PolarHBondContact O-N 3.13Å; E245-R258 WeakPolarHBondContact OE1-CD 3.39Å; E245-N404 HydrophobicContact CG-CB 4.1Å |
| 246 | L | 89.1 | Confident | 89.3 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -59.8 | -35.9 | -171.9 | -159 | 74.7 | 0 | 0 | 0 | 112.3 | H248 I249 V252 G254 E256 G257 M259 | L246-H248 PolarHBondContact O-N 3.25Å; L246-I249 HydrophobicContact CD1-CD1 4.32Å; L246-I249 PolarHBondContact O-N 3.3Å; L246-V252 HydrophobicContact CD1-CG1 4.28Å; L246-G254 WeakPolarHBondContact CD2-O 3.4Å; L246-G254 WeakPolarHBondContact CG-O 3Å; L246-E256 WeakPolarHBondContact CB-O 3.29Å; L246-E256 WeakPolarHBondContact CD2-O 3.37Å; L246-G257 PolarHBondContact N-O 3.38Å; L246-M259 HydrophobicContact CD1-CB 3.82Å; L246-M259 HydrophobicContact CD1-CE 3.84Å |
| 247 | R | 87.8 | Confident | 88.8 | Confident | 145 Ų | 145 | 40.1 Ų | 40.1 | 55% | 0.547 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -57.1 | -12.7 | 172.6 | 65.7 | 175.7 | -174.7 | -158.6 | -5.1 | 116 | E245 D255 N404 | E245-R247 HydrophobicContact CB-CG 4.03Å; E245-R247 PolarHBondContact O-N 3.36Å; R247-D255 HydrophobicContact CB-CB 4.1Å; R247-D255 WeakPolarHBondContact CB-O 3.36Å; R247-D255 PolarHBondContact N-O 3.26Å; R247-N404 PolarHBondContact NH2-O 2.93Å |
| 248 | H | 94.3 | Very high | 88.6 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 22% | 0.218 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -104.4 | 6.3 | 176.5 | -57 | 148.5 | 0 | 0 | 0 | 112.6 | L51 E244 E245 L246 N404 | L51-H248 WeakPolarHBondContact CB-O 3.26Å; E244-H248 HydrophobicContact CG-CB 4.26Å; E244-H248 IonicContact OE1-CE1 3.44Å; E244-H248 IonicContact OE1-CG 2.79Å; E244-H248 IonicContact OE1-ND1 3.15Å; E244-H248 PolarHBondContact OE1-ND1 3.29Å; E245-H248 WeakPolarHBondContact O-CB 3.47Å; E245-H248 PolarHBondContact O-N 3.13Å; L246-H248 PolarHBondContact O-N 3.25Å; H248-N404 PolarHBondContact CE1-OD1 3.12Å; H248-N404 VanDerWaalsContact CE1-OD1 3.24Å; H248-N404 PolarHBondContact ND1-OD1 3.41Å |
| 249 | I | 94.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | trans | -113.8 | 85.1 | -177.4 | -48.5 | 179.3 | 0 | 0 | 0 | 108.1 | L51 P65 E244 L246 L251 V252 M259 V261 | L51-I249 HydrophobicContact CD2-CG1 4.09Å; L51-I249 HydrophobicContact CD2-CG2 4.47Å; P65-I249 HydrophobicContact CG-CG2 3.93Å; E244-I249 HydrophobicContact CB-CD1 4.18Å; E244-I249 HydrophobicContact CB-CG1 4.46Å; E244-I249 HydrophobicContact CG-CD1 4.2Å; E244-I249 HydrophobicContact CG-CG1 3.93Å; L246-I249 HydrophobicContact CD1-CD1 4.32Å; L246-I249 PolarHBondContact O-N 3.3Å; I249-L251 HydrophobicContact CG2-CB 4.4Å; I249-L251 PolarHBondContact O-N 3.1Å; I249-V252 HydrophobicContact CG2-CB 4.27Å; I249-V252 HydrophobicContact CG2-CG2 3.96Å; I249-V252 PolarHBondContact O-N 3.22Å; I249-V252 VanDerWaalsContact O-N 3.16Å; I249-M259 HydrophobicContact CD1-CB 3.87Å; I249-V261 HydrophobicContact CD1-CG2 3.59Å; I249-V261 HydrophobicContact CG1-CG2 4.28Å | ||
| 250 | D | 91.8 | Very high | 88.5 | Confident | 92 Ų | 92 | 42.9 Ų | 42.9 | 49% | 0.492 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21 | -176.8 | -63.6 | -8.1 | 0 | 0 | 0 | 112.7 | L51 S52 A53 V252 | L51-D250 PolarHBondContact O-N 3.19Å; S52-D250 VanDerWaalsContact CA-OD2 3.27Å; S52-D250 WeakPolarHBondContact CA-OD2 3.19Å; S52-D250 PolarHBondContact OG-OD2 2.95Å; A53-D250 HydrophobicContact CB-CB 3.75Å; A53-D250 PolarHBondContact N-OD2 3.35Å; D250-V252 VanDerWaalsContact C-N 3.28Å; D250-V252 PolarHBondContact O-N 2.76Å |
| 251 | L | 87.6 | Confident | 88.5 | Confident | 65 Ų | 65 | 42.9 Ų | 42.9 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -12.9 | -177.5 | -53.6 | 176.5 | 0 | 0 | 0 | 113.7 | A53 L56 P65 I249 | A53-L251 HydrophobicContact CB-CD2 4.35Å; L56-L251 HydrophobicContact CD1-CD1 4.43Å; L56-L251 HydrophobicContact CD2-CD1 3.82Å; L56-L251 HydrophobicContact CD2-CD2 3.6Å; L56-L251 HydrophobicContact CD2-CG 4.36Å; P65-L251 HydrophobicContact CG-CB 4.1Å; P65-L251 HydrophobicContact CG-CD1 4.34Å; I249-L251 HydrophobicContact CG2-CB 4.4Å; I249-L251 PolarHBondContact O-N 3.1Å |
| 252 | V | 85.5 | Confident | 88.5 | Confident | 21 Ų | 21 | 43 Ų | 43 | 13% | 0.127 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -122.9 | 131.8 | -178.7 | -179.5 | 0 | 0 | 0 | 0 | 109 | P65 L246 I249 D250 G254 M259 | P65-V252 HydrophobicContact CB-CG2 3.54Å; P65-V252 HydrophobicContact CG-CG2 3.63Å; L246-V252 HydrophobicContact CD1-CG1 4.28Å; I249-V252 HydrophobicContact CG2-CB 4.27Å; I249-V252 HydrophobicContact CG2-CG2 3.96Å; I249-V252 PolarHBondContact O-N 3.22Å; I249-V252 VanDerWaalsContact O-N 3.16Å; D250-V252 VanDerWaalsContact C-N 3.28Å; D250-V252 PolarHBondContact O-N 2.76Å; V252-G254 PolarHBondContact O-N 3.33Å; V252-M259 HydrophobicContact CG1-CE 3.94Å; V252-M259 HydrophobicContact CG2-CE 4.4Å; V252-M259 HydrophobicContact CG2-SD 4.2Å |
| 253 | Q | 74.4 | Confident | 88.5 | Confident | 192 Ų | 192 | 43 Ų | 43 | 90% | 0.897 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -67.2 | 129.9 | 172.9 | -69.5 | -173.7 | -4.9 | 0 | 0 | 111 | ||
| 254 | G | 67.2 | Low | 88.5 | Confident | 46 Ų | 46 | 43.5 Ų | 43.5 | 47% | 0.474 | 23% | 0.226 | S | C | . | . | trans | 119.9 | 146.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L246 V252 | L246-G254 WeakPolarHBondContact CD2-O 3.4Å; L246-G254 WeakPolarHBondContact CG-O 3Å; V252-G254 PolarHBondContact O-N 3.33Å | ||
| 255 | D | 73.1 | Confident | 88.5 | Confident | 101 Ų | 101 | 43.5 Ų | 43.5 | 54% | 0.54 | 23% | 0.226 | S | C | . | . | trans | -117.2 | 3.6 | -177.3 | 58.5 | -25.4 | 0 | 0 | 0 | 112.7 | R247 | R247-D255 HydrophobicContact CB-CB 4.1Å; R247-D255 WeakPolarHBondContact CB-O 3.36Å; R247-D255 PolarHBondContact N-O 3.26Å | ||
| 256 | E | 66.5 | Low | 88.7 | Confident | 29 Ų | 29 | 41.6 Ų | 41.6 | 14% | 0.136 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -116.7 | 145 | -169.8 | -57.7 | -165.8 | 138.5 | 0 | 0 | 114.6 | L246 L826 C842 | L246-E256 WeakPolarHBondContact CB-O 3.29Å; L246-E256 WeakPolarHBondContact CD2-O 3.37Å; E256-L826 WeakPolarHBondContact OE1-CB 3.47Å; E256-L826 VanDerWaalsContact OE2-CD1 3.31Å; E256-L826 WeakPolarHBondContact OE2-CD1 3.31Å; E256-C842 HydrophobicContact CB-CB 3.94Å; E256-C842 HydrophobicContact CG-CB 4Å; E256-C842 VanDerWaalsContact OE1-CB 3.28Å; E256-C842 WeakPolarHBondContact OE1-CB 3.33Å; E256-C842 PolarHBondContact OE1-SG 3.39Å; E256-C842 WeakPolarHBondContact OE2-CB 3.44Å |
| 257 | G | 81.3 | Confident | 89.1 | Confident | 40 Ų | 40 | 41.9 Ų | 41.9 | 41% | 0.412 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 75 | -157.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L246 | L246-G257 PolarHBondContact N-O 3.38Š|
| 258 | R | 90.6 | Very high | 89.6 | Confident | 74 Ų | 74 | 35 Ų | 35 | 28% | 0.279 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 157.3 | -176.2 | -63.2 | 177.2 | -60.8 | 173.4 | 9.7 | 109.5 | R69 E229 M243 E244 E245 | R69-R258 VanDerWaalsContact CA-O 3.3Å; R69-R258 WeakPolarHBondContact CA-O 3.35Å; R69-R258 VanDerWaalsContact O-O 3.13Å; E229-R258 IonicContact OE1-CZ 2.7Å; E229-R258 IonicContact OE1-NH1 3.21Å; E229-R258 PolarHBondContact OE1-NH1 3.19Å; E229-R258 IonicContact OE1-NH2 3.4Å; M243-R258 HydrophobicContact CE-CB 3.75Å; E244-R258 CarbonylContact O-C 3.59Å; E244-R258 WeakPolarHBondContact O-CA 3.45Å; E244-R258 VanDerWaalsContact O-CB 3.24Å; E244-R258 WeakPolarHBondContact O-CB 3.15Å; E245-R258 WeakPolarHBondContact OE1-CD 3.39Å |
| 259 | M | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 140 | 170.4 | -173.5 | 177.7 | -68.2 | 0 | 0 | 109 | P65 H67 V68 R69 E244 L246 I249 V252 V261 | P65-M259 HydrophobicContact CB-SD 3.72Å; H67-M259 PolarHBondContact N-SD 3.07Å; H67-M259 VanDerWaalsContact N-SD 3.44Å; V68-M259 WeakPolarHBondContact O-CA 3.32Å; R69-M259 HydrophobicContact CG-CE 4.18Å; E244-M259 PolarHBondContact N-O 3.42Å; E244-M259 PolarHBondContact O-N 2.66Å; L246-M259 HydrophobicContact CD1-CB 3.82Å; L246-M259 HydrophobicContact CD1-CE 3.84Å; I249-M259 HydrophobicContact CD1-CB 3.87Å; V252-M259 HydrophobicContact CG1-CE 3.94Å; V252-M259 HydrophobicContact CG2-CE 4.4Å; V252-M259 HydrophobicContact CG2-SD 4.2Å; M259-V261 PolarHBondContact O-N 2.77Å |
| 260 | C | 97.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 128 | 169.2 | -173.9 | 0 | 0 | 0 | 0 | 108.9 | T66 V68 M218 Y242 M243 | T66-C260 WeakPolarHBondContact CB-O 3.41Å; T66-C260 VanDerWaalsContact CG2-O 3.26Å; T66-C260 WeakPolarHBondContact CG2-O 3.36Å; T66-C260 PolarHBondContact N-O 2.98Å; T66-C260 WeakPolarHBondContact OG1-CB 3.42Å; T66-C260 PolarHBondContact OG1-O 3.25Å; V68-C260 HydrophobicContact CB-CB 4.11Å; V68-C260 PolarHBondContact O-N 3.43Å; M218-C260 HydrophobicContact CE-CB 3.87Å; M218-C260 WeakPolarHBondContact CE-SG 3.4Å; Y242-C260 CarbonylContact O-C 3.12Å; Y242-C260 WeakPolarHBondContact O-CA 3.29Å; M243-C260 HydrophobicContact SD-CB 3.68Å |
| 261 | V | 98.3 | Very high | 90 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.4 | 175.5 | 174.3 | 0 | 0 | 0 | 0 | 108.2 | L51 M63 C241 Y242 E244 I249 M259 | L51-V261 HydrophobicContact CD2-CG1 4.28Å; L51-V261 HydrophobicContact CD2-CG2 4.22Å; M63-V261 HydrophobicContact CB-CG1 3.86Å; M63-V261 HydrophobicContact CE-CG1 3.96Å; M63-V261 WeakPolarHBondContact O-CG1 3.11Å; M63-V261 HydrophobicContact SD-CG1 4.4Å; C241-V261 CarbonylContact C-O 3.53Å; C241-V261 WeakPolarHBondContact CA-O 3.46Å; C241-V261 VanDerWaalsContact CB-O 3.28Å; C241-V261 WeakPolarHBondContact CB-O 3.19Å; Y242-V261 HydrophobicContact CE1-CB 4.36Å; Y242-V261 PolarHBondContact N-O 2.91Å; Y242-V261 PolarHBondContact O-N 3.46Å; E244-V261 HydrophobicContact CB-CB 4.42Å; E244-V261 HydrophobicContact CB-CG2 3.74Å; E244-V261 HydrophobicContact CG-CG2 4.37Å; I249-V261 HydrophobicContact CD1-CG2 3.59Å; I249-V261 HydrophobicContact CG1-CG2 4.28Å; M259-V261 PolarHBondContact O-N 2.77Å |
| 262 | N | 98.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 114.3 | 170.8 | 175.1 | 10.9 | 0 | 0 | 0 | 108.9 | M63 L64 T66 N239 E264 | M63-N262 CarbonylContact C-O 3.33Å; M63-N262 WeakPolarHBondContact CA-O 3.28Å; L64-N262 HydrophobicContact CB-CB 4.37Å; L64-N262 PolarHBondContact N-O 2.82Å; L64-N262 PolarHBondContact O-N 2.82Å; T66-N262 HydrophobicContact CG2-CB 3.87Å; N239-N262 PolarHBondContact ND2-OD1 3.44Å; N262-E264 VanDerWaalsContact C-N 3.32Å; N262-E264 PolarHBondContact ND2-OE1 3.32Å; N262-E264 PolarHBondContact O-N 3.38Å; N262-E264 PolarHBondContact OD1-N 3.21Å; N262-E264 PolarHBondContact OD1-OE1 3.3Å |
| 263 | T | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -68.1 | -33.6 | -173.5 | 63 | 0 | 0 | 0 | 0 | 112.6 | V61 K62 M63 N239 A240 Y242 W265 | V61-T263 WeakPolarHBondContact CG1-O 3.17Å; K62-T263 PolarHBondContact N-O 3.43Å; M63-T263 PolarHBondContact N-O 3.14Å; M63-T263 HydrophobicContact SD-CG2 3.9Å; N239-T263 PolarHBondContact OD1-OG1 3.12Å; A240-T263 WeakPolarHBondContact O-CB 3.24Å; A240-T263 WeakPolarHBondContact O-CG2 3.25Å; A240-T263 PolarHBondContact O-N 3.35Å; A240-T263 PolarHBondContact O-OG1 3.45Å; Y242-T263 HydrophobicContact CD1-CG2 4.04Å; Y242-T263 HydrophobicContact CE1-CG2 4.03Å; T263-W265 PolarHBondContact O-N 3.11Å; T263-W265 WeakPolarHBondContact OG1-CB 3.45Å; T263-W265 PolarHBondContact OG1-N 2.84Å | ||
| 264 | E | 97.5 | Very high | 92 | Very high | 12 Ų | 12 | 22.9 Ų | 22.9 | 6% | 0.056 | 15% | 0.147 | C | C | . | . | trans | 49.6 | 46 | -164.1 | -68.1 | -61.3 | 158.9 | 0 | 0 | 111.7 | K62 L64 P161 N239 N262 G266 A267 | K62-E264 HydrophobicContact CB-CB 4.42Å; L64-E264 HydrophobicContact CD1-CG 3.65Å; L64-E264 HydrophobicContact CG-CG 4.43Å; P161-E264 HydrophobicContact CB-CG 4.04Å; P161-E264 HydrophobicContact CG-CG 4.36Å; P161-E264 WeakPolarHBondContact CG-OE2 3.29Å; N239-E264 PolarHBondContact ND2-OE1 3.34Å; N239-E264 WeakPolarHBondContact OD1-CA 3.05Å; N239-E264 PolarHBondContact OD1-N 2.96Å; N239-E264 VanDerWaalsContact OD1-N 3.1Å; N262-E264 VanDerWaalsContact C-N 3.32Å; N262-E264 PolarHBondContact ND2-OE1 3.32Å; N262-E264 PolarHBondContact O-N 3.38Å; N262-E264 PolarHBondContact OD1-N 3.21Å; N262-E264 PolarHBondContact OD1-OE1 3.3Å; E264-G266 PolarHBondContact O-N 2.88Å; E264-A267 PolarHBondContact O-N 3.47Å | ||
| 265 | W | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -65 | -8.4 | -173.2 | 72.2 | 11.9 | 0 | 0 | 0 | 114.8 | F43 L232 T238 N239 A240 T263 A267 F268 F297 V390 | F43-W265 HydrophobicContact CE1-CE3 4.2Å; F43-W265 HydrophobicContact CE2-CB 3.47Å; F43-W265 VanDerWaalsContact CE2-CB 3.47Å; F43-W265 HydrophobicContact CZ-CB 3.42Å; F43-W265 VanDerWaalsContact CZ-CB 3.42Å; F43-W265 HydrophobicContact CZ-CD2 4.45Å; F43-W265 AromaticContact CZ-CE3 3.88Å; F43-W265 HydrophobicContact CZ-CE3 3.88Å; F43-W265 HydrophobicContact CZ-CG 4.37Å; L232-W265 HydrophobicContact CD1-CH2 3.35Å; L232-W265 HydrophobicContact CD1-CZ2 3.28Å; T238-W265 VanDerWaalsContact C-NE1 3.31Å; T238-W265 PolarHBondContact O-NE1 3.15Å; T238-W265 PolarHBondContact OG1-NE1 3.05Å; T238-W265 VanDerWaalsContact OG1-NE1 3.16Å; N239-W265 VanDerWaalsContact CA-CD1 3.41Å; N239-W265 PolarHBondContact OD1-N 2.96Å; A240-W265 HydrophobicContact CB-CD2 3.87Å; A240-W265 HydrophobicContact CB-CE3 3.61Å; A240-W265 HydrophobicContact CB-CH2 3.63Å; A240-W265 HydrophobicContact CB-CZ2 3.87Å; A240-W265 HydrophobicContact CB-CZ3 3.48Å; A240-W265 VanDerWaalsContact CB-CZ3 3.48Å; T263-W265 PolarHBondContact O-N 3.11Å; T263-W265 WeakPolarHBondContact OG1-CB 3.45Å; T263-W265 PolarHBondContact OG1-N 2.84Å; W265-A267 PolarHBondContact O-N 3.26Å; W265-F268 WeakPolarHBondContact O-CB 3.21Å; W265-F268 PolarHBondContact O-N 3.45Å; W265-F297 HydrophobicContact CD2-CE1 4.37Å; W265-F297 HydrophobicContact CG-CE1 4.33Å; W265-F297 WeakPolarHBondContact O-CD1 3.38Å; W265-V390 HydrophobicContact CH2-CG1 4.11Å; W265-V390 HydrophobicContact CZ2-CG1 4.18Å |
| 266 | G | 96.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -62.1 | -29.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E264 F268 Q295 I296 F297 E298 | E264-G266 PolarHBondContact O-N 2.88Å; G266-F268 VanDerWaalsContact C-N 3.29Å; G266-F268 PolarHBondContact O-N 3.34Å; G266-Q295 CarbonylContact O-C 3.58Å; G266-Q295 WeakPolarHBondContact O-CA 3.1Å; G266-I296 PolarHBondContact O-N 3.24Å; G266-F297 PolarHBondContact O-N 2.88Å; G266-E298 PolarHBondContact O-N 3.21Å |
| 267 | A | 96.9 | Very high | 96 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 7% | 0.066 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -79.8 | -0.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A60 E264 W265 G269 D270 | A60-A267 WeakPolarHBondContact O-CB 3.28Å; E264-A267 PolarHBondContact O-N 3.47Å; W265-A267 PolarHBondContact O-N 3.26Å; A267-G269 PolarHBondContact O-N 3.27Å; A267-D270 WeakPolarHBondContact O-CB 3.42Å; A267-D270 PolarHBondContact O-N 3.32Å |
| 268 | F | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 129.7 | 177.9 | 178 | -142.1 | 0 | 0 | 0 | 110.6 | I39 R42 F43 E46 V61 W265 G266 A273 L274 F297 | I39-F268 HydrophobicContact CG2-CE1 3.95Å; R42-F268 HydrophobicContact CB-CE2 4.33Å; R42-F268 HydrophobicContact CB-CZ 3.91Å; F43-F268 HydrophobicContact CB-CD1 4.4Å; F43-F268 HydrophobicContact CB-CE1 3.84Å; F43-F268 HydrophobicContact CB-CE2 4.44Å; F43-F268 HydrophobicContact CB-CZ 3.88Å; F43-F268 HydrophobicContact CD2-CB 4.08Å; F43-F268 AromaticContact CD2-CD1 3.51Å; F43-F268 HydrophobicContact CD2-CD1 3.51Å; F43-F268 HydrophobicContact CD2-CD2 4.02Å; F43-F268 AromaticContact CD2-CE1 3.84Å; F43-F268 HydrophobicContact CD2-CE1 3.84Å; F43-F268 HydrophobicContact CD2-CE2 4.34Å; F43-F268 AromaticContact CD2-CG 3.62Å; F43-F268 HydrophobicContact CD2-CG 3.62Å; F43-F268 HydrophobicContact CD2-CZ 4.26Å; F43-F268 HydrophobicContact CE2-CB 4.12Å; F43-F268 HydrophobicContact CE2-CD1 4.28Å; F43-F268 HydrophobicContact CE2-CG 4.17Å; F43-F268 HydrophobicContact CG-CD1 4.38Å; F43-F268 HydrophobicContact CG-CE1 4.3Å; E46-F268 HydrophobicContact CG-CD2 4.19Å; E46-F268 HydrophobicContact CG-CE2 4.15Å; V61-F268 HydrophobicContact CG2-CB 3.92Å; V61-F268 HydrophobicContact CG2-CD2 4.23Å; V61-F268 HydrophobicContact CG2-CG 4.38Å; W265-F268 WeakPolarHBondContact O-CB 3.21Å; W265-F268 PolarHBondContact O-N 3.45Å; G266-F268 VanDerWaalsContact C-N 3.29Å; G266-F268 PolarHBondContact O-N 3.34Å; F268-A273 HydrophobicContact CE2-CB 4.27Å; F268-L274 HydrophobicContact CD1-CD1 3.68Å; F268-L274 HydrophobicContact CD1-CD2 4.36Å; F268-L274 HydrophobicContact CD1-CG 4.28Å; F268-L274 HydrophobicContact CE1-CD1 3.85Å; F268-L274 HydrophobicContact CE1-CD2 3.67Å; F268-L274 HydrophobicContact CE1-CG 4.04Å; F268-L274 HydrophobicContact CE2-CD2 4.36Å; F268-L274 HydrophobicContact CE2-CG 4.35Å; F268-L274 HydrophobicContact CG-CD1 4.07Å; F268-L274 HydrophobicContact CZ-CD1 4.35Å; F268-L274 HydrophobicContact CZ-CD2 3.65Å; F268-L274 HydrophobicContact CZ-CG 4.06Å; F268-F297 HydrophobicContact CB-CB 3.82Å; F268-F297 HydrophobicContact CB-CG 4.17Å; F268-F297 HydrophobicContact CD1-CB 4.46Å; F268-F297 AromaticContact CD1-CD2 3.77Å; F268-F297 HydrophobicContact CD1-CD2 3.77Å; F268-F297 HydrophobicContact CD1-CE2 4.15Å; F268-F297 HydrophobicContact CD1-CG 4.16Å; F268-F297 WeakPolarHBondContact O-CB 3.38Å; F268-F297 PolarHBondContact O-N 3.41Å; F268-F297 VanDerWaalsContact O-N 3.16Å |
| 269 | G | 97.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -1.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A267 D271 G272 | A267-G269 PolarHBondContact O-N 3.27Å; G269-D271 PolarHBondContact O-N 3Å; G269-D271 VanDerWaalsContact O-N 3.12Å; G269-G272 PolarHBondContact O-N 3.32Å |
| 270 | D | 96.7 | Very high | 97.3 | Very high | 36 Ų | 36 | 25.8 Ų | 25.8 | 19% | 0.193 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.4 | 172.4 | -76.3 | 12.3 | 0 | 0 | 0 | 112.8 | A60 A267 K294 Q295 I296 | A60-D270 HydrophobicContact CB-CB 4.49Å; A267-D270 WeakPolarHBondContact O-CB 3.42Å; A267-D270 PolarHBondContact O-N 3.32Å; D270-K294 VanDerWaalsContact OD2-CA 3.3Å; D270-K294 WeakPolarHBondContact OD2-CA 3.39Å; D270-K294 WeakPolarHBondContact OD2-CD 3.29Å; D270-Q295 PolarHBondContact OD1-N 3.44Å; D270-Q295 PolarHBondContact OD2-N 3.04Å; D270-Q295 VanDerWaalsContact OD2-N 3.09Å; D270-I296 WeakPolarHBondContact OD1-CG1 3.46Å; D270-I296 PolarHBondContact OD1-N 3.35Å |
| 271 | D | 95.3 | Very high | 97.3 | Very high | 73 Ų | 73 | 26.5 Ų | 26.5 | 39% | 0.39 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 8.2 | 176 | 65.8 | -13.8 | 0 | 0 | 0 | 113.6 | K49 A60 G269 A273 | K49-D271 IonicContact NZ-OD2 3.67Å; K49-D271 PolarHBondContact NZ-OD2 3.5Å; A60-D271 HydrophobicContact CB-CB 4.31Å; G269-D271 PolarHBondContact O-N 3Å; G269-D271 VanDerWaalsContact O-N 3.12Å; D271-A273 VanDerWaalsContact OD1-CB 3.3Å; D271-A273 WeakPolarHBondContact OD1-CB 3.29Å; D271-A273 PolarHBondContact OD1-N 3.06Å |
| 272 | G | 96.3 | Very high | 97.3 | Very high | 26 Ų | 26 | 26.9 Ų | 26.9 | 27% | 0.268 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 89.2 | 0.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G269 L274 D275 | G269-G272 PolarHBondContact O-N 3.32Å; G272-L274 PolarHBondContact O-N 3.02Å; G272-D275 WeakPolarHBondContact O-CB 3.16Å; G272-D275 VanDerWaalsContact O-CG 3.32Å; G272-D275 PolarHBondContact O-N 2.87Å; G272-D275 VanDerWaalsContact O-N 3.07Å |
| 273 | A | 96 | Very high | 97.3 | Very high | 26 Ų | 26 | 32.3 Ų | 32.3 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R42 F268 D271 | R42-A273 WeakPolarHBondContact CD-O 3.35Å; R42-A273 PolarHBondContact NH1-O 3.35Å; F268-A273 HydrophobicContact CE2-CB 4.27Å; D271-A273 VanDerWaalsContact OD1-CB 3.3Å; D271-A273 WeakPolarHBondContact OD1-CB 3.29Å; D271-A273 PolarHBondContact OD1-N 3.06Å |
| 274 | L | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 8.6 | -179.5 | -66.6 | -178 | 0 | 0 | 0 | 114.3 | I39 F268 G272 D276 F277 I278 F297 M300 | I39-L274 HydrophobicContact CG1-CD2 4.38Å; I39-L274 HydrophobicContact CG2-CD2 4.32Å; F268-L274 HydrophobicContact CD1-CD1 3.68Å; F268-L274 HydrophobicContact CD1-CD2 4.36Å; F268-L274 HydrophobicContact CD1-CG 4.28Å; F268-L274 HydrophobicContact CE1-CD1 3.85Å; F268-L274 HydrophobicContact CE1-CD2 3.67Å; F268-L274 HydrophobicContact CE1-CG 4.04Å; F268-L274 HydrophobicContact CE2-CD2 4.36Å; F268-L274 HydrophobicContact CE2-CG 4.35Å; F268-L274 HydrophobicContact CG-CD1 4.07Å; F268-L274 HydrophobicContact CZ-CD1 4.35Å; F268-L274 HydrophobicContact CZ-CD2 3.65Å; F268-L274 HydrophobicContact CZ-CG 4.06Å; G272-L274 PolarHBondContact O-N 3.02Å; L274-D276 PolarHBondContact O-N 3.35Å; L274-F277 HydrophobicContact CD2-CD2 4.05Å; L274-F277 PolarHBondContact O-N 3.35Å; L274-I278 HydrophobicContact CB-CD1 4.42Å; L274-I278 WeakPolarHBondContact O-CG1 3.33Å; L274-I278 PolarHBondContact O-N 2.94Å; L274-F297 HydrophobicContact CD1-CB 4.28Å; L274-F297 HydrophobicContact CD1-CD2 3.9Å; L274-M300 HydrophobicContact CD1-CE 3.79Å |
| 275 | D | 97 | Very high | 97.3 | Very high | 90 Ų | 90 | 36.1 Ų | 36.1 | 48% | 0.481 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -53.4 | -34.6 | -173.5 | -79.4 | -7.3 | 0 | 0 | 0 | 113.9 | G272 F277 I278 | G272-D275 WeakPolarHBondContact O-CB 3.16Å; G272-D275 VanDerWaalsContact O-CG 3.32Å; G272-D275 PolarHBondContact O-N 2.87Å; G272-D275 VanDerWaalsContact O-N 3.07Å; D275-F277 PolarHBondContact O-N 3.49Å; D275-I278 PolarHBondContact O-N 3.24Å |
| 276 | D | 96.8 | Very high | 97.3 | Very high | 122 Ų | 122 | 37.4 Ų | 37.4 | 65% | 0.652 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -64.4 | -22.2 | 177.7 | -52.9 | -43.2 | 0 | 0 | 0 | 113.6 | R42 L274 | R42-D276 IonicContact CZ-OD2 3.69Å; R42-D276 IonicContact NH1-OD2 3.63Å; R42-D276 PolarHBondContact NH1-OD2 3.49Å; R42-D276 IonicContact NH2-OD2 2.75Å; R42-D276 PolarHBondContact NH2-OD2 2.63Å; R42-D276 VanDerWaalsContact NH2-OD2 3.17Å; L274-D276 PolarHBondContact O-N 3.35Å |
| 277 | F | 97.1 | Very high | 97.3 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -107.5 | -5.5 | -175.9 | -54.8 | -71.8 | 0 | 0 | 0 | 112.9 | L31 Q35 I39 L274 D275 | L31-F277 HydrophobicContact CD2-CD1 3.93Å; Q35-F277 HydrophobicContact CB-CE1 3.88Å; Q35-F277 HydrophobicContact CG-CE1 4.13Å; I39-F277 HydrophobicContact CD1-CD1 3.94Å; I39-F277 HydrophobicContact CD1-CD2 4.01Å; I39-F277 HydrophobicContact CD1-CE1 4.02Å; I39-F277 HydrophobicContact CD1-CE2 4.08Å; I39-F277 HydrophobicContact CD1-CG 3.93Å; I39-F277 HydrophobicContact CD1-CZ 4.09Å; I39-F277 HydrophobicContact CG1-CD1 4.44Å; I39-F277 HydrophobicContact CG1-CD2 3.8Å; I39-F277 HydrophobicContact CG1-CE1 4.2Å; I39-F277 HydrophobicContact CG1-CE2 3.52Å; I39-F277 HydrophobicContact CG1-CG 4.25Å; I39-F277 HydrophobicContact CG1-CZ 3.74Å; L274-F277 HydrophobicContact CD2-CD2 4.05Å; L274-F277 PolarHBondContact O-N 3.35Å; D275-F277 PolarHBondContact O-N 3.49Å |
| 278 | I | 97.7 | Very high | 97.1 | Very high | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.108 | 25% | 0.248 | C | C | . | . | trans | -86.5 | 122.7 | 179.6 | -67.4 | 171.4 | 0 | 0 | 0 | 109.8 | L274 D275 D282 R283 I296 M300 | L274-I278 HydrophobicContact CB-CD1 4.42Å; L274-I278 WeakPolarHBondContact O-CG1 3.33Å; L274-I278 PolarHBondContact O-N 2.94Å; D275-I278 PolarHBondContact O-N 3.24Å; I278-D282 HydrophobicContact CG2-CB 3.91Å; I278-R283 HydrophobicContact CG2-CG 3.75Å; I278-R283 PolarHBondContact O-NH2 3.33Å; I278-I296 HydrophobicContact CD1-CG2 3.51Å; I278-I296 HydrophobicContact CG1-CG2 4.21Å; I278-M300 HydrophobicContact CG1-CE 4.46Å; I278-M300 HydrophobicContact CG1-SD 4.16Å | ||
| 279 | T | 98.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | trans | -92 | 167.2 | 176 | 73.3 | 0 | 0 | 0 | 0 | 111.8 | A28 M29 F281 D282 R283 | A28-T279 HydrophobicContact CB-CG2 4.07Å; M29-T279 HydrophobicContact CE-CG2 4.09Å; M29-T279 VanDerWaalsContact CE-OG1 3.29Å; M29-T279 WeakPolarHBondContact CE-OG1 3.44Å; M29-T279 HydrophobicContact CG-CG2 3.91Å; T279-F281 PolarHBondContact O-N 2.89Å; T279-F281 PolarHBondContact OG1-N 3.49Å; T279-D282 WeakPolarHBondContact CB-OD2 3.49Å; T279-D282 PolarHBondContact N-OD2 3Å; T279-D282 WeakPolarHBondContact O-CB 3.43Å; T279-D282 PolarHBondContact O-N 3.25Å; T279-D282 PolarHBondContact OG1-OD2 3.36Å; T279-R283 PolarHBondContact O-N 3.06Å; T279-R283 VanDerWaalsContact O-N 3.14Å | ||
| 280 | D | 97.8 | Very high | 96.3 | Very high | 85 Ų | 85 | 47.6 Ų | 47.6 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.1 | -31.9 | 173.5 | -62.4 | -19.1 | 0 | 0 | 0 | 112.7 | D282 R283 D284 K316 | D280-D282 VanDerWaalsContact C-N 3.32Å; D280-D282 PolarHBondContact O-N 2.81Å; D280-R283 PolarHBondContact O-N 3.3Å; D280-R283 IonicContact OD1-NH1 3.96Å; D280-R283 PolarHBondContact OD1-NH1 3.02Å; D280-D284 PolarHBondContact O-N 3.49Å; D280-K316 IonicContact OD2-NZ 3.81Å; D280-K316 PolarHBondContact OD2-NZ 3.21Å |
| 281 | F | 98.4 | Very high | 96 | Very high | 15 Ų | 15 | 47 Ų | 47 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 177.4 | -56.5 | -72.6 | 0 | 0 | 0 | 111.8 | F25 L26 M29 T279 D284 V285 L309 L312 V313 K316 | F25-F281 HydrophobicContact CE1-CE2 4.36Å; F25-F281 AromaticContact CE1-CZ 3.74Å; F25-F281 HydrophobicContact CE1-CZ 3.74Å; F25-F281 HydrophobicContact CZ-CZ 4.17Å; L26-F281 HydrophobicContact CD2-CE2 4.01Å; M29-F281 HydrophobicContact CE-CB 3.94Å; M29-F281 HydrophobicContact CE-CD2 3.54Å; M29-F281 HydrophobicContact CE-CE2 4.42Å; M29-F281 HydrophobicContact CE-CG 4.08Å; T279-F281 PolarHBondContact O-N 2.89Å; T279-F281 PolarHBondContact OG1-N 3.49Å; F281-D284 PolarHBondContact O-N 3.37Å; F281-V285 WeakPolarHBondContact O-CG2 3.18Å; F281-V285 PolarHBondContact O-N 3.05Å; F281-L309 HydrophobicContact CB-CD2 4.18Å; F281-L312 HydrophobicContact CD1-CB 4Å; F281-V313 HydrophobicContact CD1-CG2 3.82Å; F281-V313 HydrophobicContact CD2-CG2 3.92Å; F281-V313 HydrophobicContact CE1-CB 4.22Å; F281-V313 HydrophobicContact CE1-CG2 3.81Å; F281-V313 HydrophobicContact CE2-CG2 3.9Å; F281-V313 HydrophobicContact CG-CG2 3.85Å; F281-V313 HydrophobicContact CZ-CB 4.35Å; F281-V313 HydrophobicContact CZ-CG2 3.84Å; F281-K316 HydrophobicContact CE1-CB 3.79Å; F281-K316 HydrophobicContact CE1-CD 3.54Å; F281-K316 HydrophobicContact CE1-CG 4.29Å; F281-K316 HydrophobicContact CZ-CB 4.26Å; F281-K316 HydrophobicContact CZ-CD 3.62Å; F281-K316 HydrophobicContact CZ-CG 4.48Å |
| 282 | D | 98.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.043 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 177.1 | -56.2 | -58.3 | 0 | 0 | 0 | 110.4 | I278 T279 D280 V285 D286 M300 L309 R385 | I278-D282 HydrophobicContact CG2-CB 3.91Å; T279-D282 WeakPolarHBondContact CB-OD2 3.49Å; T279-D282 PolarHBondContact N-OD2 3Å; T279-D282 WeakPolarHBondContact O-CB 3.43Å; T279-D282 PolarHBondContact O-N 3.25Å; T279-D282 PolarHBondContact OG1-OD2 3.36Å; D280-D282 VanDerWaalsContact C-N 3.32Å; D280-D282 PolarHBondContact O-N 2.81Å; D282-V285 PolarHBondContact O-N 3.34Å; D282-D286 WeakPolarHBondContact O-CB 3.47Å; D282-D286 PolarHBondContact O-N 3.25Å; D282-M300 HydrophobicContact CB-CG 4.32Å; D282-L309 WeakPolarHBondContact OD1-CD2 3.43Å; D282-R385 IonicContact OD1-CZ 3.4Å; D282-R385 IonicContact OD1-NH1 2.68Å; D282-R385 PolarHBondContact OD1-NH1 3.22Å; D282-R385 IonicContact OD1-NH2 3.77Å; D282-R385 PolarHBondContact OD1-NH2 2.84Å; D282-R385 IonicContact OD2-CZ 3.21Å; D282-R385 IonicContact OD2-NH1 3.1Å; D282-R385 PolarHBondContact OD2-NH1 3.13Å; D282-R385 IonicContact OD2-NH2 2.71Å |
| 283 | R | 98.1 | Very high | 95.9 | Very high | 117 Ų | 117 | 47.6 Ų | 47.6 | 44% | 0.442 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 174.2 | -63.3 | -176.8 | -176.4 | 96.8 | 12.9 | 112.2 | I278 T279 D280 D286 A287 | I278-R283 HydrophobicContact CG2-CG 3.75Å; I278-R283 PolarHBondContact O-NH2 3.33Å; T279-R283 PolarHBondContact O-N 3.06Å; T279-R283 VanDerWaalsContact O-N 3.14Å; D280-R283 PolarHBondContact O-N 3.3Å; D280-R283 IonicContact OD1-NH1 3.96Å; D280-R283 PolarHBondContact OD1-NH1 3.02Å; R283-D286 PolarHBondContact O-N 3.37Å; R283-A287 VanDerWaalsContact O-CB 3.3Å; R283-A287 WeakPolarHBondContact O-CB 3.49Å; R283-A287 PolarHBondContact O-N 3.35Å |
| 284 | D | 97.8 | Very high | 95.8 | Very high | 86 Ų | 86 | 51.9 Ų | 51.9 | 46% | 0.46 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 176.3 | -75.8 | -15.4 | 0 | 0 | 0 | 111.6 | D280 F281 A288 L312 | D280-D284 PolarHBondContact O-N 3.49Å; F281-D284 PolarHBondContact O-N 3.37Å; D284-A288 WeakPolarHBondContact O-CB 3.38Å; D284-A288 PolarHBondContact O-N 3.1Å; D284-L312 HydrophobicContact CB-CD1 3.97Å |
| 285 | V | 97.4 | Very high | 95.7 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 174.5 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | F281 D282 A288 S289 Y305 E308 L309 L312 | F281-V285 WeakPolarHBondContact O-CG2 3.18Å; F281-V285 PolarHBondContact O-N 3.05Å; D282-V285 PolarHBondContact O-N 3.34Å; V285-A288 PolarHBondContact O-N 2.96Å; V285-S289 WeakPolarHBondContact O-CB 3.23Å; V285-S289 PolarHBondContact O-N 3.15Å; V285-Y305 HydrophobicContact CG1-CD1 3.63Å; V285-Y305 HydrophobicContact CG1-CE1 4.4Å; V285-Y305 HydrophobicContact CG1-CG 4.27Å; V285-E308 HydrophobicContact CG2-CG 4.05Å; V285-L309 HydrophobicContact CB-CD2 4.47Å; V285-L309 HydrophobicContact CG2-CD2 3.67Å; V285-L309 HydrophobicContact CG2-CG 4.02Å; V285-L312 HydrophobicContact CG2-CD1 3.49Å; V285-L312 VanDerWaalsContact CG2-CD1 3.49Å |
| 286 | D | 97.2 | Very high | 95.7 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 14% | 0.139 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -51.1 | 180 | 179.8 | 53.9 | 0 | 0 | 0 | 112 | D282 R283 A288 S289 P292 G293 I296 K299 | D282-D286 WeakPolarHBondContact O-CB 3.47Å; D282-D286 PolarHBondContact O-N 3.25Å; R283-D286 PolarHBondContact O-N 3.37Å; D286-A288 PolarHBondContact O-N 3.13Å; D286-S289 VanDerWaalsContact O-CB 3.29Å; D286-S289 WeakPolarHBondContact O-CB 3.49Å; D286-S289 PolarHBondContact O-N 3.45Å; D286-S289 PolarHBondContact O-OG 3.1Å; D286-P292 WeakPolarHBondContact OD1-CA 3.4Å; D286-G293 VanDerWaalsContact CG-N 3.31Å; D286-G293 PolarHBondContact OD1-N 3.02Å; D286-G293 PolarHBondContact OD2-N 3.44Å; D286-I296 HydrophobicContact CB-CD1 4.26Å; D286-K299 HydrophobicContact CB-CD 4.23Å; D286-K299 IonicContact OD1-NZ 2.86Å; D286-K299 PolarHBondContact OD1-NZ 3.38Å |
| 287 | A | 96.8 | Very high | 95.8 | Very high | 72 Ų | 72 | 43.4 Ų | 43.4 | 60% | 0.595 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.5 | -33.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R283 | R283-A287 VanDerWaalsContact O-CB 3.3Å; R283-A287 WeakPolarHBondContact O-CB 3.49Å; R283-A287 PolarHBondContact O-N 3.35Å |
| 288 | A | 93.2 | Very high | 95.8 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 45% | 0.446 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 3.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | D284 V285 D286 K335 | D284-A288 WeakPolarHBondContact O-CB 3.38Å; D284-A288 PolarHBondContact O-N 3.1Å; V285-A288 PolarHBondContact O-N 2.96Å; D286-A288 PolarHBondContact O-N 3.13Å; A288-K335 PolarHBondContact O-NZ 3.02Å |
| 289 | S | 91.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 42.1 Ų | 42.1 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -84.5 | 171 | -178.1 | 76 | 0 | 0 | 0 | 0 | 112.9 | V285 D286 N291 K299 | V285-S289 WeakPolarHBondContact O-CB 3.23Å; V285-S289 PolarHBondContact O-N 3.15Å; D286-S289 VanDerWaalsContact O-CB 3.29Å; D286-S289 WeakPolarHBondContact O-CB 3.49Å; D286-S289 PolarHBondContact O-N 3.45Å; D286-S289 PolarHBondContact O-OG 3.1Å; S289-N291 PolarHBondContact O-N 2.91Å; S289-N291 PolarHBondContact OG-N 3.12Å; S289-N291 PolarHBondContact OG-OD1 3.38Å; S289-K299 VanDerWaalsContact OG-CE 3.3Å; S289-K299 WeakPolarHBondContact OG-CE 3.35Å; S289-K299 PolarHBondContact OG-NZ 3.17Å |
| 290 | L | 87.8 | Confident | 95.8 | Very high | 83 Ų | 83 | 41.4 Ų | 41.4 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -72.4 | -16.1 | 175.5 | -67.9 | 175.8 | 0 | 0 | 0 | 113.3 | ||
| 291 | N | 88.6 | Confident | 95.8 | Very high | 24 Ų | 24 | 37.4 Ų | 37.4 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -138.2 | 64.8 | -174.3 | 60.7 | -22.2 | 0 | 0 | 0 | 111.5 | S289 K294 Q295 K299 | S289-N291 PolarHBondContact O-N 2.91Å; S289-N291 PolarHBondContact OG-N 3.12Å; S289-N291 PolarHBondContact OG-OD1 3.38Å; N291-K294 HydrophobicContact CB-CB 4.22Å; N291-K294 PolarHBondContact O-N 3.45Å; N291-Q295 WeakPolarHBondContact ND2-CG 3.4Å; N291-K299 PolarHBondContact O-NZ 3.37Å; N291-K299 WeakPolarHBondContact OD1-CE 3.27Å; N291-K299 PolarHBondContact OD1-NZ 2.91Å; N291-K299 VanDerWaalsContact OD1-NZ 3.16Å |
| 292 | P | 94.9 | Very high | 95.7 | Very high | 77 Ų | 77 | 36.7 Ų | 36.7 | 50% | 0.5 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 141.7 | 179 | -23.9 | 35 | 0 | 0 | 0 | 112.7 | D286 K294 | D286-P292 WeakPolarHBondContact OD1-CA 3.4Å; P292-K294 PolarHBondContact O-N 2.83Å |
| 293 | G | 95.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 37 Ų | 37 | 36% | 0.361 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 13.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D286 | D286-G293 VanDerWaalsContact CG-N 3.31Å; D286-G293 PolarHBondContact OD1-N 3.02Å; D286-G293 PolarHBondContact OD2-N 3.44Å |
| 294 | K | 94.8 | Very high | 95.2 | Very high | 116 Ų | 116 | 34 Ų | 34 | 50% | 0.504 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -130.9 | 154.3 | 179.3 | -62.2 | -64.2 | 173.1 | -160.9 | 0 | 111.9 | D270 N291 P292 I296 K299 | D270-K294 VanDerWaalsContact OD2-CA 3.3Å; D270-K294 WeakPolarHBondContact OD2-CA 3.39Å; D270-K294 WeakPolarHBondContact OD2-CD 3.29Å; N291-K294 HydrophobicContact CB-CB 4.22Å; N291-K294 PolarHBondContact O-N 3.45Å; P292-K294 PolarHBondContact O-N 2.83Å; K294-I296 PolarHBondContact O-N 3.45Å; K294-K299 WeakPolarHBondContact O-CE 3.39Å; K294-K299 PolarHBondContact O-NZ 3.44Å |
| 295 | Q | 95.1 | Very high | 95.2 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 56.7 | 38.8 | 178.2 | -58.2 | -64.9 | 110.7 | 0 | 0 | 112.4 | C176 G266 D270 N291 F297 E298 K299 | C176-Q295 HydrophobicContact CB-CG 4.4Å; G266-Q295 CarbonylContact O-C 3.58Å; G266-Q295 WeakPolarHBondContact O-CA 3.1Å; D270-Q295 PolarHBondContact OD1-N 3.44Å; D270-Q295 PolarHBondContact OD2-N 3.04Å; D270-Q295 VanDerWaalsContact OD2-N 3.09Å; N291-Q295 WeakPolarHBondContact ND2-CG 3.4Å; Q295-F297 PolarHBondContact O-N 3.43Å; Q295-E298 HydrophobicContact CB-CB 4.15Å; Q295-E298 PolarHBondContact NE2-OE1 2.95Å; Q295-E298 PolarHBondContact O-N 3.2Å; Q295-K299 WeakPolarHBondContact O-CG 3.27Å; Q295-K299 PolarHBondContact O-N 3.46Å |
| 296 | I | 97.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.3 | -46.1 | -172.2 | -66.2 | -60 | 0 | 0 | 0 | 111.7 | G266 D270 I278 D286 K294 E298 K299 M300 | G266-I296 PolarHBondContact O-N 3.24Å; D270-I296 WeakPolarHBondContact OD1-CG1 3.46Å; D270-I296 PolarHBondContact OD1-N 3.35Å; I278-I296 HydrophobicContact CD1-CG2 3.51Å; I278-I296 HydrophobicContact CG1-CG2 4.21Å; D286-I296 HydrophobicContact CB-CD1 4.26Å; K294-I296 PolarHBondContact O-N 3.45Å; I296-E298 PolarHBondContact O-N 2.98Å; I296-K299 PolarHBondContact O-N 3.11Å; I296-M300 HydrophobicContact CG2-CE 4.27Å; I296-M300 PolarHBondContact O-N 3.16Å |
| 297 | F | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 176 | -177.9 | -102.3 | 0 | 0 | 0 | 112.4 | W265 G266 F268 L274 Q295 K299 M300 V301 L389 | W265-F297 HydrophobicContact CD2-CE1 4.37Å; W265-F297 HydrophobicContact CG-CE1 4.33Å; W265-F297 WeakPolarHBondContact O-CD1 3.38Å; G266-F297 PolarHBondContact O-N 2.88Å; F268-F297 HydrophobicContact CB-CB 3.82Å; F268-F297 HydrophobicContact CB-CG 4.17Å; F268-F297 HydrophobicContact CD1-CB 4.46Å; F268-F297 AromaticContact CD1-CD2 3.77Å; F268-F297 HydrophobicContact CD1-CD2 3.77Å; F268-F297 HydrophobicContact CD1-CE2 4.15Å; F268-F297 HydrophobicContact CD1-CG 4.16Å; F268-F297 WeakPolarHBondContact O-CB 3.38Å; F268-F297 PolarHBondContact O-N 3.41Å; F268-F297 VanDerWaalsContact O-N 3.16Å; L274-F297 HydrophobicContact CD1-CB 4.28Å; L274-F297 HydrophobicContact CD1-CD2 3.9Å; Q295-F297 PolarHBondContact O-N 3.43Å; F297-K299 VanDerWaalsContact C-N 3.29Å; F297-K299 PolarHBondContact O-N 3.05Å; F297-M300 HydrophobicContact CD2-CE 4.46Å; F297-M300 PolarHBondContact O-N 3.11Å; F297-V301 HydrophobicContact CE1-CG2 4.3Å; F297-V301 HydrophobicContact CE2-CG2 4.49Å; F297-V301 HydrophobicContact CZ-CG2 4.27Å; F297-V301 WeakPolarHBondContact O-CG2 3.45Å; F297-V301 PolarHBondContact O-N 3.4Å; F297-L389 HydrophobicContact CE2-CB 3.81Å; F297-L389 HydrophobicContact CE2-CD2 4.34Å; F297-L389 HydrophobicContact CZ-CB 4.13Å; F297-L389 WeakPolarHBondContact CZ-O 3.41Å |
| 298 | E | 97.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 3% | 0.028 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.2 | -39.1 | 176.7 | 173.1 | 171.4 | 68.6 | 0 | 0 | 112.1 | G237 T238 G266 Q295 I296 M300 V301 S302 Y305 | G237-E298 WeakPolarHBondContact CA-OE2 3.36Å; T238-E298 HydrophobicContact CG2-CB 4.07Å; T238-E298 HydrophobicContact CG2-CG 4.18Å; T238-E298 PolarHBondContact N-OE2 3.46Å; G266-E298 PolarHBondContact O-N 3.21Å; Q295-E298 HydrophobicContact CB-CB 4.15Å; Q295-E298 PolarHBondContact NE2-OE1 2.95Å; Q295-E298 PolarHBondContact O-N 3.2Å; I296-E298 PolarHBondContact O-N 2.98Å; E298-M300 VanDerWaalsContact C-N 3.27Å; E298-M300 PolarHBondContact O-N 3.39Å; E298-V301 PolarHBondContact O-N 3.33Å; E298-S302 PolarHBondContact O-N 2.89Å; E298-S302 PolarHBondContact O-OG 2.98Å; E298-Y305 HydrophobicContact CG-CE2 4.15Å |
| 299 | K | 97.8 | Very high | 95.5 | Very high | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.022 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.8 | -27.8 | 177.6 | -77.1 | 164.2 | 175.6 | 165.7 | 0 | 114.4 | D286 S289 N291 K294 Q295 I296 F297 V301 Y305 | D286-K299 HydrophobicContact CB-CD 4.23Å; D286-K299 IonicContact OD1-NZ 2.86Å; D286-K299 PolarHBondContact OD1-NZ 3.38Å; S289-K299 VanDerWaalsContact OG-CE 3.3Å; S289-K299 WeakPolarHBondContact OG-CE 3.35Å; S289-K299 PolarHBondContact OG-NZ 3.17Å; N291-K299 PolarHBondContact O-NZ 3.37Å; N291-K299 WeakPolarHBondContact OD1-CE 3.27Å; N291-K299 PolarHBondContact OD1-NZ 2.91Å; N291-K299 VanDerWaalsContact OD1-NZ 3.16Å; K294-K299 WeakPolarHBondContact O-CE 3.39Å; K294-K299 PolarHBondContact O-NZ 3.44Å; Q295-K299 WeakPolarHBondContact O-CG 3.27Å; Q295-K299 PolarHBondContact O-N 3.46Å; I296-K299 PolarHBondContact O-N 3.11Å; F297-K299 VanDerWaalsContact C-N 3.29Å; F297-K299 PolarHBondContact O-N 3.05Å; K299-V301 VanDerWaalsContact C-N 3.31Å; K299-Y305 VanDerWaalsContact CA-CD2 3.49Å; K299-Y305 HydrophobicContact CB-CD2 4.3Å; K299-Y305 HydrophobicContact CB-CE2 4.49Å; K299-Y305 HydrophobicContact CB-CG 4.32Å; K299-Y305 HydrophobicContact CG-CD1 4.01Å; K299-Y305 HydrophobicContact CG-CD2 4.02Å; K299-Y305 HydrophobicContact CG-CE1 3.76Å; K299-Y305 HydrophobicContact CG-CE2 3.77Å; K299-Y305 HydrophobicContact CG-CG 4.13Å; K299-Y305 WeakPolarHBondContact O-CB 3.25Å |
| 300 | M | 98.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -81.5 | -11.8 | 175.2 | -65.1 | -172.6 | -73.9 | 0 | 0 | 113.3 | L274 I278 D282 I296 F297 E298 L389 | L274-M300 HydrophobicContact CD1-CE 3.79Å; I278-M300 HydrophobicContact CG1-CE 4.46Å; I278-M300 HydrophobicContact CG1-SD 4.16Å; D282-M300 HydrophobicContact CB-CG 4.32Å; I296-M300 HydrophobicContact CG2-CE 4.27Å; I296-M300 PolarHBondContact O-N 3.16Å; F297-M300 HydrophobicContact CD2-CE 4.46Å; F297-M300 PolarHBondContact O-N 3.11Å; E298-M300 VanDerWaalsContact C-N 3.27Å; E298-M300 PolarHBondContact O-N 3.39Å; M300-L389 HydrophobicContact CB-CD1 3.78Å; M300-L389 HydrophobicContact SD-CD1 4.4Å |
| 301 | V | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -122.1 | -50.4 | -165 | 170.9 | 0 | 0 | 0 | 0 | 113.6 | T238 F297 E298 K299 L306 S386 L389 V390 | T238-V301 HydrophobicContact CG2-CB 4.01Å; T238-V301 HydrophobicContact CG2-CG1 3.74Å; F297-V301 HydrophobicContact CE1-CG2 4.3Å; F297-V301 HydrophobicContact CE2-CG2 4.49Å; F297-V301 HydrophobicContact CZ-CG2 4.27Å; F297-V301 WeakPolarHBondContact O-CG2 3.45Å; F297-V301 PolarHBondContact O-N 3.4Å; E298-V301 PolarHBondContact O-N 3.33Å; K299-V301 VanDerWaalsContact C-N 3.31Å; V301-L306 WeakPolarHBondContact O-CD1 3.27Å; V301-L306 WeakPolarHBondContact O-CD2 3.46Å; V301-L306 WeakPolarHBondContact O-CG 3.33Å; V301-S386 VanDerWaalsContact CA-OG 3.31Å; V301-S386 WeakPolarHBondContact CA-OG 3.41Å; V301-S386 PolarHBondContact O-OG 2.97Å; V301-L389 HydrophobicContact CG2-CB 3.82Å; V301-L389 HydrophobicContact CG2-CD1 4.08Å; V301-V390 HydrophobicContact CB-CG2 4.41Å; V301-V390 HydrophobicContact CG1-CG2 3.23Å; V301-V390 HydrophobicContact CG2-CG2 4.27Å |
| 302 | S | 95.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -80.5 | 162.2 | -159.3 | 83.9 | 0 | 0 | 0 | 0 | 114.1 | T236 G237 E298 L304 Y305 L306 | T236-S302 VanDerWaalsContact O-CB 3.31Å; T236-S302 WeakPolarHBondContact O-CB 3.22Å; T236-S302 PolarHBondContact O-OG 3.12Å; G237-S302 VanDerWaalsContact C-CB 3.49Å; E298-S302 PolarHBondContact O-N 2.89Å; E298-S302 PolarHBondContact O-OG 2.98Å; S302-L304 PolarHBondContact O-N 2.81Å; S302-L304 VanDerWaalsContact O-N 3.12Å; S302-Y305 PolarHBondContact O-N 3.46Å; S302-Y305 WeakPolarHBondContact OG-CD2 3.43Å; S302-L306 WeakPolarHBondContact O-CG 3.48Å; S302-L306 PolarHBondContact O-N 3.24Å; S302-L306 VanDerWaalsContact O-N 3.16Å |
| 303 | G | 94.5 | Very high | 97 | Very high | 16 Ų | 16 | 16 Ų | 16 | 17% | 0.165 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -11.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G235 Y305 T340 | G235-G303 WeakPolarHBondContact O-CA 3.41Å; G235-G303 PolarHBondContact O-N 2.9Å; G303-Y305 VanDerWaalsContact C-N 3.28Å; G303-T340 VanDerWaalsContact O-CB 3.31Å; G303-T340 WeakPolarHBondContact O-CB 3.18Å; G303-T340 PolarHBondContact O-OG1 3.37Å |
| 304 | L | 92.8 | Very high | 97.1 | Very high | 52 Ų | 52 | 14.3 Ų | 14.3 | 27% | 0.272 | 7% | 0.071 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -25.7 | 170.1 | -176.5 | 58.2 | 0 | 0 | 0 | 112 | N178 T236 S302 | N178-L304 WeakPolarHBondContact OD1-CD2 3.33Å; T236-L304 HydrophobicContact CG2-CB 4.14Å; T236-L304 HydrophobicContact CG2-CD2 4.45Å; T236-L304 VanDerWaalsContact O-CB 3.23Å; T236-L304 WeakPolarHBondContact O-CB 3.07Å; T236-L304 PolarHBondContact O-N 3.07Å; S302-L304 PolarHBondContact O-N 2.81Å; S302-L304 VanDerWaalsContact O-N 3.12Å |
| 305 | Y | 96.5 | Very high | 97.3 | Very high | 16 Ų | 16 | 9.5 Ų | 9.5 | 6% | 0.063 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -24.2 | -167.7 | -53.4 | -74.6 | 0 | 0 | 0 | 114.4 | V285 E298 K299 S302 G303 G307 E308 L309 | V285-Y305 HydrophobicContact CG1-CD1 3.63Å; V285-Y305 HydrophobicContact CG1-CE1 4.4Å; V285-Y305 HydrophobicContact CG1-CG 4.27Å; E298-Y305 HydrophobicContact CG-CE2 4.15Å; K299-Y305 VanDerWaalsContact CA-CD2 3.49Å; K299-Y305 HydrophobicContact CB-CD2 4.3Å; K299-Y305 HydrophobicContact CB-CE2 4.49Å; K299-Y305 HydrophobicContact CB-CG 4.32Å; K299-Y305 HydrophobicContact CG-CD1 4.01Å; K299-Y305 HydrophobicContact CG-CD2 4.02Å; K299-Y305 HydrophobicContact CG-CE1 3.76Å; K299-Y305 HydrophobicContact CG-CE2 3.77Å; K299-Y305 HydrophobicContact CG-CG 4.13Å; K299-Y305 WeakPolarHBondContact O-CB 3.25Å; S302-Y305 PolarHBondContact O-N 3.46Å; S302-Y305 WeakPolarHBondContact OG-CD2 3.43Å; G303-Y305 VanDerWaalsContact C-N 3.28Å; Y305-G307 PolarHBondContact O-N 2.98Å; Y305-E308 PolarHBondContact O-N 3.45Å; Y305-L309 PolarHBondContact O-N 3.47Å |
| 306 | L | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -54.8 | -47.1 | -177.4 | -70.2 | 176.3 | 0 | 0 | 0 | 113.9 | V301 S302 E308 L309 V310 T340 V382 V420 | V301-L306 WeakPolarHBondContact O-CD1 3.27Å; V301-L306 WeakPolarHBondContact O-CD2 3.46Å; V301-L306 WeakPolarHBondContact O-CG 3.33Å; S302-L306 WeakPolarHBondContact O-CG 3.48Å; S302-L306 PolarHBondContact O-N 3.24Å; S302-L306 VanDerWaalsContact O-N 3.16Å; L306-E308 VanDerWaalsContact C-N 3.29Å; L306-E308 PolarHBondContact O-N 3.22Å; L306-L309 PolarHBondContact O-N 3.32Å; L306-V310 WeakPolarHBondContact O-CG2 3.48Å; L306-V310 PolarHBondContact O-N 3.37Å; L306-V310 VanDerWaalsContact O-N 3.09Å; L306-T340 HydrophobicContact CB-CG2 4.2Å; L306-T340 HydrophobicContact CD1-CG2 4.11Å; L306-V382 HydrophobicContact CD2-CG1 3.97Å; L306-V420 HydrophobicContact CD1-CG1 4.04Å |
| 307 | G | 97.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 2% | 0.021 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.4 | -37.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y305 V310 R311 I338 T340 | Y305-G307 PolarHBondContact O-N 2.98Å; G307-V310 PolarHBondContact O-N 3.37Å; G307-R311 PolarHBondContact O-N 3.34Å; G307-I338 CarbonylContact C-O 3.52Å; G307-I338 VanDerWaalsContact C-O 3.25Å; G307-I338 WeakPolarHBondContact CA-O 3.33Å; G307-T340 PolarHBondContact N-OG1 2.93Å |
| 308 | E | 97.9 | Very high | 97.4 | Very high | 18 Ų | 18 | 11.5 Ų | 11.5 | 8% | 0.084 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -72.7 | -38.1 | 179.5 | -176.4 | 61.2 | -172.4 | 0 | 0 | 112.1 | V285 Y305 L306 V310 R311 L312 G336 | V285-E308 HydrophobicContact CG2-CG 4.05Å; Y305-E308 PolarHBondContact O-N 3.45Å; L306-E308 VanDerWaalsContact C-N 3.29Å; L306-E308 PolarHBondContact O-N 3.22Å; E308-V310 VanDerWaalsContact C-N 3.34Å; E308-V310 PolarHBondContact O-N 3.18Å; E308-R311 VanDerWaalsContact CD-NE 3.3Å; E308-R311 WeakPolarHBondContact O-CB 3.5Å; E308-R311 PolarHBondContact O-N 2.99Å; E308-R311 IonicContact OE1-CZ 3.19Å; E308-R311 VanDerWaalsContact OE1-CZ 3.29Å; E308-R311 IonicContact OE1-NE 2.72Å; E308-R311 PolarHBondContact OE1-NE 3.03Å; E308-R311 VanDerWaalsContact OE1-NE 3.11Å; E308-R311 IonicContact OE1-NH2 2.79Å; E308-R311 PolarHBondContact OE1-NH2 3.4Å; E308-R311 IonicContact OE2-CZ 3.38Å; E308-R311 IonicContact OE2-NE 3.48Å; E308-R311 PolarHBondContact OE2-NE 3.22Å; E308-R311 IonicContact OE2-NH2 2.94Å; E308-L312 HydrophobicContact CG-CD1 4.24Å; E308-L312 WeakPolarHBondContact O-CG 3.15Å; E308-L312 PolarHBondContact O-N 3.18Å; E308-G336 PolarHBondContact OE2-N 2.93Å |
| 309 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.2 | -47.1 | 171.3 | -75.5 | 169.2 | 0 | 0 | 0 | 111 | F281 D282 V285 Y305 L306 R311 L312 V313 V382 | F281-L309 HydrophobicContact CB-CD2 4.18Å; D282-L309 WeakPolarHBondContact OD1-CD2 3.43Å; V285-L309 HydrophobicContact CB-CD2 4.47Å; V285-L309 HydrophobicContact CG2-CD2 3.67Å; V285-L309 HydrophobicContact CG2-CG 4.02Å; Y305-L309 PolarHBondContact O-N 3.47Å; L306-L309 PolarHBondContact O-N 3.32Å; L309-R311 PolarHBondContact O-N 3.18Å; L309-L312 PolarHBondContact O-N 3.24Å; L309-V313 WeakPolarHBondContact O-CG2 3.32Å; L309-V313 PolarHBondContact O-N 3.3Å; L309-V382 HydrophobicContact CB-CG1 3.86Å; L309-V382 HydrophobicContact CD1-CG1 4.24Å |
| 310 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | L306 G307 E308 L312 V313 V314 I338 V343 M346 V378 V382 | L306-V310 WeakPolarHBondContact O-CG2 3.48Å; L306-V310 PolarHBondContact O-N 3.37Å; L306-V310 VanDerWaalsContact O-N 3.09Å; G307-V310 PolarHBondContact O-N 3.37Å; E308-V310 VanDerWaalsContact C-N 3.34Å; E308-V310 PolarHBondContact O-N 3.18Å; V310-L312 PolarHBondContact O-N 3.11Å; V310-V313 PolarHBondContact O-N 2.79Å; V310-V314 HydrophobicContact CG1-CG2 4.25Å; V310-V314 WeakPolarHBondContact O-CB 3.44Å; V310-V314 VanDerWaalsContact O-CG2 3.27Å; V310-V314 WeakPolarHBondContact O-CG2 3.5Å; V310-V314 PolarHBondContact O-N 3.42Å; V310-I338 HydrophobicContact CG1-CD1 4.45Å; V310-I338 HydrophobicContact CG1-CG2 4.29Å; V310-V343 HydrophobicContact CB-CG2 4.36Å; V310-V343 HydrophobicContact CG2-CG2 3.9Å; V310-M346 HydrophobicContact CG1-CE 4.21Å; V310-V378 HydrophobicContact CG1-CG1 4.24Å; V310-V382 HydrophobicContact CG2-CB 3.86Å; V310-V382 HydrophobicContact CG2-CG1 3.96Å; V310-V382 HydrophobicContact CG2-CG2 3.98Å |
| 311 | R | 98.5 | Very high | 97.2 | Very high | 13 Ų | 13 | 24 Ų | 24 | 5% | 0.049 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.5 | -46.4 | 177.8 | -167 | -163.4 | 65.3 | 80.1 | 0.1 | 112.3 | G307 E308 L309 V314 L315 L332 R333 T334 I338 | G307-R311 PolarHBondContact O-N 3.34Å; E308-R311 VanDerWaalsContact CD-NE 3.3Å; E308-R311 WeakPolarHBondContact O-CB 3.5Å; E308-R311 PolarHBondContact O-N 2.99Å; E308-R311 IonicContact OE1-CZ 3.19Å; E308-R311 VanDerWaalsContact OE1-CZ 3.29Å; E308-R311 IonicContact OE1-NE 2.72Å; E308-R311 PolarHBondContact OE1-NE 3.03Å; E308-R311 VanDerWaalsContact OE1-NE 3.11Å; E308-R311 IonicContact OE1-NH2 2.79Å; E308-R311 PolarHBondContact OE1-NH2 3.4Å; E308-R311 IonicContact OE2-CZ 3.38Å; E308-R311 IonicContact OE2-NE 3.48Å; E308-R311 PolarHBondContact OE2-NE 3.22Å; E308-R311 IonicContact OE2-NH2 2.94Å; L309-R311 PolarHBondContact O-N 3.18Å; R311-V314 PolarHBondContact O-N 3.36Å; R311-L315 WeakPolarHBondContact O-CB 3.48Å; R311-L315 PolarHBondContact O-N 3.29Å; R311-L332 HydrophobicContact CG-CD1 4.06Å; R311-L332 PolarHBondContact NH1-O 3.19Å; R311-R333 PolarHBondContact NH1-O 3.36Å; R311-T334 VanDerWaalsContact CD-O 3.25Å; R311-T334 WeakPolarHBondContact CD-O 3.44Å; R311-I338 HydrophobicContact CB-CB 4.1Å; R311-I338 HydrophobicContact CB-CD1 4.12Å; R311-I338 HydrophobicContact CB-CG1 4.2Å; R311-I338 HydrophobicContact CG-CD1 4.26Å; R311-I338 HydrophobicContact CG-CG1 4.22Å |
| 312 | L | 98.5 | Very high | 97.1 | Very high | 19 Ų | 19 | 26.5 Ų | 26.5 | 10% | 0.099 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | -178.1 | -74.1 | 169.1 | 0 | 0 | 0 | 112 | F281 D284 V285 E308 L309 V310 L315 K316 | F281-L312 HydrophobicContact CD1-CB 4Å; D284-L312 HydrophobicContact CB-CD1 3.97Å; V285-L312 HydrophobicContact CG2-CD1 3.49Å; V285-L312 VanDerWaalsContact CG2-CD1 3.49Å; E308-L312 HydrophobicContact CG-CD1 4.24Å; E308-L312 WeakPolarHBondContact O-CG 3.15Å; E308-L312 PolarHBondContact O-N 3.18Å; L309-L312 PolarHBondContact O-N 3.24Å; V310-L312 PolarHBondContact O-N 3.11Å; L312-L315 PolarHBondContact O-N 3.36Å; L312-K316 WeakPolarHBondContact O-CB 3.4Å; L312-K316 PolarHBondContact O-N 2.88Å |
| 313 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.1 | -52.3 | 172.9 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | F25 L26 M29 F281 L309 V310 L315 K316 M317 V378 | F25-V313 HydrophobicContact CD1-CG1 4.47Å; F25-V313 HydrophobicContact CE1-CG1 4.23Å; L26-V313 HydrophobicContact CD1-CG1 4.05Å; L26-V313 HydrophobicContact CD2-CG1 3.8Å; L26-V313 HydrophobicContact CD2-CG2 3.94Å; L26-V313 HydrophobicContact CG-CG1 4.29Å; M29-V313 HydrophobicContact CE-CG2 4.4Å; F281-V313 HydrophobicContact CD1-CG2 3.82Å; F281-V313 HydrophobicContact CD2-CG2 3.92Å; F281-V313 HydrophobicContact CE1-CB 4.22Å; F281-V313 HydrophobicContact CE1-CG2 3.81Å; F281-V313 HydrophobicContact CE2-CG2 3.9Å; F281-V313 HydrophobicContact CG-CG2 3.85Å; F281-V313 HydrophobicContact CZ-CB 4.35Å; F281-V313 HydrophobicContact CZ-CG2 3.84Å; L309-V313 WeakPolarHBondContact O-CG2 3.32Å; L309-V313 PolarHBondContact O-N 3.3Å; V310-V313 PolarHBondContact O-N 2.79Å; V313-L315 VanDerWaalsContact C-N 3.29Å; V313-L315 PolarHBondContact O-N 2.95Å; V313-K316 PolarHBondContact O-N 3.05Å; V313-K316 VanDerWaalsContact O-N 3.17Å; V313-M317 HydrophobicContact CG1-CG 4.33Å; V313-M317 HydrophobicContact CG1-SD 4.02Å; V313-M317 WeakPolarHBondContact O-CB 3.37Å; V313-M317 WeakPolarHBondContact O-CG 3.36Å; V313-M317 PolarHBondContact O-N 3.25Å; V313-V378 HydrophobicContact CB-CG1 3.8Å; V313-V378 HydrophobicContact CG1-CB 4.36Å; V313-V378 HydrophobicContact CG1-CG1 3.49Å; V313-V378 VanDerWaalsContact CG1-CG1 3.49Å; V313-V378 HydrophobicContact CG1-CG2 3.87Å |
| 314 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.5 | -41.7 | 179.8 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | V310 R311 M317 A318 L323 F324 L332 V375 V378 | V310-V314 HydrophobicContact CG1-CG2 4.25Å; V310-V314 WeakPolarHBondContact O-CB 3.44Å; V310-V314 VanDerWaalsContact O-CG2 3.27Å; V310-V314 WeakPolarHBondContact O-CG2 3.5Å; V310-V314 PolarHBondContact O-N 3.42Å; R311-V314 PolarHBondContact O-N 3.36Å; V314-M317 PolarHBondContact O-N 2.65Å; V314-A318 VanDerWaalsContact O-CB 3.28Å; V314-A318 WeakPolarHBondContact O-CB 3.25Å; V314-A318 PolarHBondContact O-N 2.81Å; V314-L323 HydrophobicContact CG1-CD1 4.07Å; V314-F324 HydrophobicContact CG1-CE2 3.62Å; V314-F324 HydrophobicContact CG1-CZ 3.83Å; V314-L332 HydrophobicContact CB-CD1 4.41Å; V314-L332 HydrophobicContact CG1-CD1 3.94Å; V314-L332 HydrophobicContact CG1-CD2 4.23Å; V314-V375 HydrophobicContact CG1-CG2 4.28Å; V314-V375 HydrophobicContact CG2-CG1 4.05Å; V314-V375 HydrophobicContact CG2-CG2 4.04Å; V314-V378 HydrophobicContact CG2-CG1 4.33Å |
| 315 | L | 98.3 | Very high | 97.3 | Very high | 15 Ų | 15 | 32.1 Ų | 32.1 | 8% | 0.079 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 175.7 | 176.4 | 62 | 0 | 0 | 0 | 112.3 | R311 L312 V313 A318 K319 V328 L332 R333 | R311-L315 WeakPolarHBondContact O-CB 3.48Å; R311-L315 PolarHBondContact O-N 3.29Å; L312-L315 PolarHBondContact O-N 3.36Å; V313-L315 VanDerWaalsContact C-N 3.29Å; V313-L315 PolarHBondContact O-N 2.95Å; L315-A318 PolarHBondContact O-N 3.41Å; L315-K319 HydrophobicContact CD1-CD 4.46Å; L315-K319 HydrophobicContact CD1-CG 4.39Å; L315-K319 HydrophobicContact CG-CD 4.47Å; L315-K319 WeakPolarHBondContact O-CG 3.44Å; L315-K319 PolarHBondContact O-N 2.94Å; L315-V328 HydrophobicContact CD1-CG1 3.35Å; L315-V328 HydrophobicContact CD1-CG2 4.39Å; L315-L332 HydrophobicContact CB-CG 4.3Å; L315-L332 HydrophobicContact CD1-CD2 4.35Å; L315-L332 HydrophobicContact CD1-CG 4.17Å; L315-R333 HydrophobicContact CD1-CG 4.36Å |
| 316 | K | 98.3 | Very high | 97.1 | Very high | 76 Ų | 76 | 33 Ų | 33 | 33% | 0.33 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.2 | -42.7 | 179.4 | -167.9 | 173.2 | -176.3 | 174 | 0 | 110.9 | F25 D280 F281 L312 V313 K319 L320 | F25-K316 HydrophobicContact CZ-CB 4.44Å; F25-K316 HydrophobicContact CZ-CD 4.24Å; F25-K316 HydrophobicContact CZ-CG 4.15Å; D280-K316 IonicContact OD2-NZ 3.81Å; D280-K316 PolarHBondContact OD2-NZ 3.21Å; F281-K316 HydrophobicContact CE1-CB 3.79Å; F281-K316 HydrophobicContact CE1-CD 3.54Å; F281-K316 HydrophobicContact CE1-CG 4.29Å; F281-K316 HydrophobicContact CZ-CB 4.26Å; F281-K316 HydrophobicContact CZ-CD 3.62Å; F281-K316 HydrophobicContact CZ-CG 4.48Å; L312-K316 WeakPolarHBondContact O-CB 3.4Å; L312-K316 PolarHBondContact O-N 2.88Å; V313-K316 PolarHBondContact O-N 3.05Å; V313-K316 VanDerWaalsContact O-N 3.17Å; K316-K319 PolarHBondContact O-N 2.78Å; K316-L320 HydrophobicContact CG-CD1 4.31Å; K316-L320 VanDerWaalsContact O-CG 3.31Å; K316-L320 WeakPolarHBondContact O-CG 3.34Å; K316-L320 PolarHBondContact O-N 3.24Å; K316-L320 VanDerWaalsContact O-N 3.09Å |
| 317 | M | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 175.4 | -71.1 | -172.8 | 73.1 | 0 | 0 | 112.1 | V22 F25 V313 V314 L320 G321 L322 L323 V378 | V22-M317 HydrophobicContact CG2-CE 3.86Å; V22-M317 HydrophobicContact CG2-SD 4.44Å; F25-M317 HydrophobicContact CD1-CG 3.61Å; F25-M317 HydrophobicContact CD1-SD 3.8Å; F25-M317 HydrophobicContact CD2-CG 4.49Å; F25-M317 HydrophobicContact CE1-CG 3.34Å; F25-M317 HydrophobicContact CE1-SD 4.1Å; F25-M317 HydrophobicContact CE2-CG 4.28Å; F25-M317 HydrophobicContact CG-CG 4.19Å; F25-M317 HydrophobicContact CG-SD 4.38Å; F25-M317 HydrophobicContact CZ-CG 3.71Å; V313-M317 HydrophobicContact CG1-CG 4.33Å; V313-M317 HydrophobicContact CG1-SD 4.02Å; V313-M317 WeakPolarHBondContact O-CB 3.37Å; V313-M317 WeakPolarHBondContact O-CG 3.36Å; V313-M317 PolarHBondContact O-N 3.25Å; V314-M317 PolarHBondContact O-N 2.65Å; M317-L320 PolarHBondContact O-N 3.16Å; M317-G321 PolarHBondContact O-N 2.8Å; M317-L322 HydrophobicContact CB-CB 4.22Å; M317-L322 HydrophobicContact CE-CB 4.18Å; M317-L322 WeakPolarHBondContact O-CA 3.45Å; M317-L322 WeakPolarHBondContact O-CB 3.47Å; M317-L322 PolarHBondContact O-N 3.09Å; M317-L323 HydrophobicContact CB-CD1 3.67Å; M317-L323 HydrophobicContact CB-CG 3.92Å; M317-L323 HydrophobicContact CE-CD1 4.47Å; M317-L323 HydrophobicContact CE-CG 4.28Å; M317-L323 HydrophobicContact SD-CD1 4.25Å; M317-V378 HydrophobicContact SD-CG2 3.91Å |
| 318 | A | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V314 L315 L320 G321 L323 F324 G326 V328 L332 | V314-A318 VanDerWaalsContact O-CB 3.28Å; V314-A318 WeakPolarHBondContact O-CB 3.25Å; V314-A318 PolarHBondContact O-N 2.81Å; L315-A318 PolarHBondContact O-N 3.41Å; A318-L320 PolarHBondContact O-N 3.33Å; A318-G321 PolarHBondContact O-N 2.9Å; A318-L323 HydrophobicContact CB-CB 4.44Å; A318-F324 HydrophobicContact CB-CD2 3.71Å; A318-F324 HydrophobicContact CB-CE2 4.1Å; A318-G326 VanDerWaalsContact O-CA 3.29Å; A318-G326 WeakPolarHBondContact O-CA 3.39Å; A318-V328 HydrophobicContact CB-CG2 3.79Å; A318-L332 HydrophobicContact CB-CD2 4.24Å |
| 319 | K | 97.2 | Very high | 96.9 | Very high | 131 Ų | 131 | 38 Ų | 38 | 57% | 0.57 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -58.7 | -30.1 | 176 | -76.3 | 178.4 | 179.2 | 179.6 | 0 | 113.7 | L315 K316 G321 V328 | L315-K319 HydrophobicContact CD1-CD 4.46Å; L315-K319 HydrophobicContact CD1-CG 4.39Å; L315-K319 HydrophobicContact CG-CD 4.47Å; L315-K319 WeakPolarHBondContact O-CG 3.44Å; L315-K319 PolarHBondContact O-N 2.94Å; K316-K319 PolarHBondContact O-N 2.78Å; K319-G321 VanDerWaalsContact C-N 3.27Å; K319-V328 HydrophobicContact CG-CG2 4.08Å |
| 320 | L | 96.8 | Very high | 96.8 | Very high | 103 Ų | 103 | 44.2 Ų | 44.2 | 54% | 0.539 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 4.9 | 177.1 | -67.4 | 172.4 | 0 | 0 | 0 | 113.2 | F25 K316 M317 A318 L322 | F25-L320 HydrophobicContact CE2-CD1 3.69Å; F25-L320 HydrophobicContact CZ-CD1 4.14Å; K316-L320 HydrophobicContact CG-CD1 4.31Å; K316-L320 VanDerWaalsContact O-CG 3.31Å; K316-L320 WeakPolarHBondContact O-CG 3.34Å; K316-L320 PolarHBondContact O-N 3.24Å; K316-L320 VanDerWaalsContact O-N 3.09Å; M317-L320 PolarHBondContact O-N 3.16Å; A318-L320 PolarHBondContact O-N 3.33Å; L320-L322 HydrophobicContact CB-CD1 4.11Å; L320-L322 HydrophobicContact CB-CG 3.89Å; L320-L322 HydrophobicContact CD1-CD1 4.33Å; L320-L322 PolarHBondContact O-N 3.16Å |
| 321 | G | 95.1 | Very high | 96.7 | Very high | 41 Ų | 41 | 44.8 Ų | 44.8 | 42% | 0.423 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 16.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M317 A318 K319 | M317-G321 PolarHBondContact O-N 2.8Å; A318-G321 PolarHBondContact O-N 2.9Å; K319-G321 VanDerWaalsContact C-N 3.27Å |
| 322 | L | 94.7 | Very high | 96.6 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -86.7 | -18 | -178.3 | -55.8 | 179.1 | 0 | 0 | 0 | 113.2 | K21 F25 M317 L320 | K21-L322 VanDerWaalsContact CE-CD2 3.41Å; K21-L322 PolarHBondContact NZ-O 3.33Å; F25-L322 HydrophobicContact CD2-CD1 3.88Å; F25-L322 HydrophobicContact CE2-CD1 4Å; M317-L322 HydrophobicContact CB-CB 4.22Å; M317-L322 HydrophobicContact CE-CB 4.18Å; M317-L322 WeakPolarHBondContact O-CA 3.45Å; M317-L322 WeakPolarHBondContact O-CB 3.47Å; M317-L322 PolarHBondContact O-N 3.09Å; L320-L322 HydrophobicContact CB-CD1 4.11Å; L320-L322 HydrophobicContact CB-CG 3.89Å; L320-L322 HydrophobicContact CD1-CD1 4.33Å; L320-L322 PolarHBondContact O-N 3.16Å |
| 323 | L | 96.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -133.8 | 153.3 | 174.4 | -66.3 | 174.6 | 0 | 0 | 0 | 109.6 | V314 M317 A318 D325 G326 D371 A374 V375 | V314-L323 HydrophobicContact CG1-CD1 4.07Å; M317-L323 HydrophobicContact CB-CD1 3.67Å; M317-L323 HydrophobicContact CB-CG 3.92Å; M317-L323 HydrophobicContact CE-CD1 4.47Å; M317-L323 HydrophobicContact CE-CG 4.28Å; M317-L323 HydrophobicContact SD-CD1 4.25Å; A318-L323 HydrophobicContact CB-CB 4.44Å; L323-D325 PolarHBondContact O-N 3.48Å; L323-D325 VanDerWaalsContact O-N 3.09Å; L323-G326 PolarHBondContact O-N 3.03Å; L323-D371 WeakPolarHBondContact CA-OD1 3.35Å; L323-D371 HydrophobicContact CD2-CB 4.47Å; L323-A374 HydrophobicContact CD2-CB 3.62Å; L323-V375 HydrophobicContact CD1-CG2 3.99Å |
| 324 | F | 96.6 | Very high | 96.4 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | 53.1 | 30.4 | 170.6 | -35.7 | -57.6 | 0 | 0 | 0 | 114.5 | V314 A318 G326 H327 L332 L360 L365 P367 D371 V375 | V314-F324 HydrophobicContact CG1-CE2 3.62Å; V314-F324 HydrophobicContact CG1-CZ 3.83Å; A318-F324 HydrophobicContact CB-CD2 3.71Å; A318-F324 HydrophobicContact CB-CE2 4.1Å; F324-G326 PolarHBondContact O-N 2.65Å; F324-H327 HydrophobicContact CB-CB 4.42Å; F324-H327 VanDerWaalsContact O-CB 3.28Å; F324-H327 WeakPolarHBondContact O-CB 3.41Å; F324-H327 PolarHBondContact O-N 3.11Å; F324-L332 HydrophobicContact CE2-CD2 4.22Å; F324-L360 HydrophobicContact CE1-CD1 4.1Å; F324-L360 HydrophobicContact CE1-CD2 4.14Å; F324-L360 HydrophobicContact CZ-CD1 4.42Å; F324-L360 HydrophobicContact CZ-CD2 3.75Å; F324-L365 HydrophobicContact CD2-CD1 4.11Å; F324-L365 HydrophobicContact CD2-CD2 4.38Å; F324-L365 HydrophobicContact CE1-CD1 4.24Å; F324-L365 HydrophobicContact CE2-CD1 3.77Å; F324-L365 HydrophobicContact CZ-CD1 3.85Å; F324-P367 HydrophobicContact CD1-CB 4.43Å; F324-P367 HydrophobicContact CE1-CB 4.22Å; F324-D371 HydrophobicContact CD1-CB 3.88Å; F324-D371 HydrophobicContact CE1-CB 3.71Å; F324-D371 PolarHBondContact N-OD1 3.17Å; F324-V375 HydrophobicContact CE1-CG2 4.47Å; F324-V375 HydrophobicContact CZ-CG2 3.97Å |
| 325 | D | 93.3 | Very high | 96.2 | Very high | 171 Ų | 171 | 58.2 Ų | 58.2 | 91% | 0.914 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | 50.8 | 29.7 | -174.7 | -61 | -40.4 | 0 | 0 | 0 | 114.4 | L323 | L323-D325 PolarHBondContact O-N 3.48Å; L323-D325 VanDerWaalsContact O-N 3.09Å |
| 326 | G | 93.7 | Very high | 96 | Very high | 34 Ų | 34 | 59.6 Ų | 59.6 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | 89.4 | -3.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A318 L323 F324 | A318-G326 VanDerWaalsContact O-CA 3.29Å; A318-G326 WeakPolarHBondContact O-CA 3.39Å; L323-G326 PolarHBondContact O-N 3.03Å; F324-G326 PolarHBondContact O-N 2.65Å |
| 327 | H | 95.5 | Very high | 95.9 | Very high | 99 Ų | 99 | 61.2 Ų | 61.2 | 46% | 0.458 | 33% | 0.33 | S | S | . | . | trans | -73.6 | 133.6 | -178.7 | -171.9 | 73 | 0 | 0 | 0 | 111.9 | F324 | F324-H327 HydrophobicContact CB-CB 4.42Å; F324-H327 VanDerWaalsContact O-CB 3.28Å; F324-H327 WeakPolarHBondContact O-CB 3.41Å; F324-H327 PolarHBondContact O-N 3.11Å | ||
| 328 | V | 96 | Very high | 95.9 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 11% | 0.109 | 33% | 0.33 | C | S | . | . | trans | -132.8 | 110.3 | 179.5 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | L315 A318 K319 L332 R333 | L315-V328 HydrophobicContact CD1-CG1 3.35Å; L315-V328 HydrophobicContact CD1-CG2 4.39Å; A318-V328 HydrophobicContact CB-CG2 3.79Å; K319-V328 HydrophobicContact CG-CG2 4.08Å; V328-L332 HydrophobicContact CG1-CD2 4.36Å; V328-R333 HydrophobicContact CG1-CG 3.73Å | ||
| 329 | S | 96.7 | Very high | 95.9 | Very high | 9 Ų | 9 | 64.6 Ų | 64.6 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | trans | -76 | 159.7 | 177.1 | 68.8 | 0 | 0 | 0 | 0 | 113.3 | A331 L332 R333 L363 | S329-A331 VanDerWaalsContact C-N 3.28Å; S329-A331 PolarHBondContact O-N 3.17Å; S329-L332 PolarHBondContact O-N 2.68Å; S329-L332 WeakPolarHBondContact OG-CB 3.44Å; S329-L332 PolarHBondContact OG-N 2.94Å; S329-L332 VanDerWaalsContact OG-N 3.16Å; S329-R333 WeakPolarHBondContact O-CG 3.45Å; S329-R333 PolarHBondContact O-N 3.03Å; S329-R333 VanDerWaalsContact O-N 3.15Å; S329-L363 WeakPolarHBondContact CB-O 3.4Å; S329-L363 PolarHBondContact OG-O 3.5Å | ||
| 330 | D | 96.4 | Very high | 95.8 | Very high | 129 Ų | 129 | 59.4 Ų | 59.4 | 69% | 0.69 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.9 | -35 | 175.2 | -69 | -28.6 | 0 | 0 | 0 | 112.4 | R333 T334 | D330-R333 PolarHBondContact O-N 2.92Å; D330-T334 PolarHBondContact O-N 2.83Å; D330-T334 VanDerWaalsContact O-N 3.12Å; D330-T334 PolarHBondContact O-OG1 3.49Å |
| 331 | A | 96.3 | Very high | 95.8 | Very high | 13 Ų | 13 | 56.7 Ų | 56.7 | 11% | 0.107 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S329 R333 T334 K337 L363 | S329-A331 VanDerWaalsContact C-N 3.28Å; S329-A331 PolarHBondContact O-N 3.17Å; A331-R333 VanDerWaalsContact C-N 3.28Å; A331-R333 PolarHBondContact O-N 3.07Å; A331-T334 PolarHBondContact O-N 2.94Å; A331-K337 WeakPolarHBondContact O-CB 3.22Å; A331-K337 WeakPolarHBondContact O-CG 3.43Å; A331-L363 HydrophobicContact CB-CB 4.28Å; A331-L363 HydrophobicContact CB-CD2 4.1Å |
| 332 | L | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.9 | -29.4 | 176 | -176.9 | 60.9 | 0 | 0 | 0 | 112.3 | R311 V314 L315 A318 F324 V328 S329 T334 L363 L365 | R311-L332 HydrophobicContact CG-CD1 4.06Å; R311-L332 PolarHBondContact NH1-O 3.19Å; V314-L332 HydrophobicContact CB-CD1 4.41Å; V314-L332 HydrophobicContact CG1-CD1 3.94Å; V314-L332 HydrophobicContact CG1-CD2 4.23Å; L315-L332 HydrophobicContact CB-CG 4.3Å; L315-L332 HydrophobicContact CD1-CD2 4.35Å; L315-L332 HydrophobicContact CD1-CG 4.17Å; A318-L332 HydrophobicContact CB-CD2 4.24Å; F324-L332 HydrophobicContact CE2-CD2 4.22Å; V328-L332 HydrophobicContact CG1-CD2 4.36Å; S329-L332 PolarHBondContact O-N 2.68Å; S329-L332 WeakPolarHBondContact OG-CB 3.44Å; S329-L332 PolarHBondContact OG-N 2.94Å; S329-L332 VanDerWaalsContact OG-N 3.16Å; L332-T334 VanDerWaalsContact C-N 3.31Å; L332-L363 HydrophobicContact CD1-CD1 4.39Å; L332-L365 HydrophobicContact CD2-CD1 4.22Å |
| 333 | R | 96.6 | Very high | 96.1 | Very high | 129 Ų | 129 | 53 Ų | 53 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -72.6 | -23.9 | 174.5 | -66.8 | 173.4 | -170.6 | -85.4 | -2.1 | 113.2 | R311 L315 V328 S329 D330 A331 | R311-R333 PolarHBondContact NH1-O 3.36Å; L315-R333 HydrophobicContact CD1-CG 4.36Å; V328-R333 HydrophobicContact CG1-CG 3.73Å; S329-R333 WeakPolarHBondContact O-CG 3.45Å; S329-R333 PolarHBondContact O-N 3.03Å; S329-R333 VanDerWaalsContact O-N 3.15Å; D330-R333 PolarHBondContact O-N 2.92Å; A331-R333 VanDerWaalsContact C-N 3.28Å; A331-R333 PolarHBondContact O-N 3.07Å |
| 334 | T | 96.6 | Very high | 96.1 | Very high | 66 Ų | 66 | 53.2 Ų | 53.2 | 41% | 0.405 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -82.6 | 124 | -173.8 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | R311 D330 A331 L332 K337 | R311-T334 VanDerWaalsContact CD-O 3.25Å; R311-T334 WeakPolarHBondContact CD-O 3.44Å; D330-T334 PolarHBondContact O-N 2.83Å; D330-T334 VanDerWaalsContact O-N 3.12Å; D330-T334 PolarHBondContact O-OG1 3.49Å; A331-T334 PolarHBondContact O-N 2.94Å; L332-T334 VanDerWaalsContact C-N 3.31Å; T334-K337 HydrophobicContact CG2-CG 3.91Å; T334-K337 WeakPolarHBondContact O-CG 3.44Å; T334-K337 PolarHBondContact O-N 3.31Å |
| 335 | K | 94.4 | Very high | 96.2 | Very high | 119 Ų | 119 | 53.8 Ų | 53.8 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 138.3 | 176.6 | -179.6 | 176.3 | -177.3 | -173.1 | 0 | 111.7 | A288 K337 | A288-K335 PolarHBondContact O-NZ 3.02Å; K335-K337 VanDerWaalsContact C-N 3.29Å; K335-K337 PolarHBondContact O-N 3.33Å |
| 336 | G | 93.3 | Very high | 96.4 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 45% | 0.454 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 6.8 | 173 | 0 | 0 | 0 | 0 | 0 | 115.9 | E308 I338 | E308-G336 PolarHBondContact OE2-N 2.93Å; G336-I338 VanDerWaalsContact C-N 3.33Å |
| 337 | K | 97 | Very high | 96.6 | Very high | 110 Ų | 110 | 44.5 Ų | 44.5 | 48% | 0.478 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -75 | -18.6 | 176.7 | -72.9 | -65.7 | -173.2 | 176 | 0 | 114.6 | A331 T334 K335 L363 | A331-K337 WeakPolarHBondContact O-CB 3.22Å; A331-K337 WeakPolarHBondContact O-CG 3.43Å; T334-K337 HydrophobicContact CG2-CG 3.91Å; T334-K337 WeakPolarHBondContact O-CG 3.44Å; T334-K337 PolarHBondContact O-N 3.31Å; K335-K337 VanDerWaalsContact C-N 3.29Å; K335-K337 PolarHBondContact O-N 3.33Å; K337-L363 HydrophobicContact CB-CD2 3.77Å |
| 338 | I | 97.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -104.3 | 119.3 | 161.9 | -59.1 | -175.1 | 0 | 0 | 0 | 106.8 | G307 V310 R311 G336 D342 M346 L363 | G307-I338 CarbonylContact C-O 3.52Å; G307-I338 VanDerWaalsContact C-O 3.25Å; G307-I338 WeakPolarHBondContact CA-O 3.33Å; V310-I338 HydrophobicContact CG1-CD1 4.45Å; V310-I338 HydrophobicContact CG1-CG2 4.29Å; R311-I338 HydrophobicContact CB-CB 4.1Å; R311-I338 HydrophobicContact CB-CD1 4.12Å; R311-I338 HydrophobicContact CB-CG1 4.2Å; R311-I338 HydrophobicContact CG-CD1 4.26Å; R311-I338 HydrophobicContact CG-CG1 4.22Å; G336-I338 VanDerWaalsContact C-N 3.33Å; I338-D342 HydrophobicContact CG2-CB 4.11Å; I338-M346 HydrophobicContact CG2-CE 4.09Å; I338-L363 HydrophobicContact CD1-CD1 3.9Å; I338-L363 HydrophobicContact CG1-CD1 3.76Å |
| 339 | T | 96.7 | Very high | 96.2 | Very high | 68 Ų | 68 | 52.7 Ų | 52.7 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | trans | -96.9 | 163.5 | -179.1 | 68.9 | 0 | 0 | 0 | 0 | 110.9 | G341 D342 V343 | T339-G341 PolarHBondContact O-N 3.42Å; T339-G341 PolarHBondContact OG1-N 3.21Å; T339-D342 WeakPolarHBondContact CB-OD2 3.44Å; T339-D342 PolarHBondContact N-OD2 2.96Å; T339-D342 WeakPolarHBondContact O-CA 3.39Å; T339-D342 VanDerWaalsContact O-CB 3.29Å; T339-D342 WeakPolarHBondContact O-CB 3.21Å; T339-D342 PolarHBondContact O-N 2.97Å; T339-D342 PolarHBondContact OG1-N 2.82Å; T339-D342 PolarHBondContact OG1-OD2 3.26Å; T339-V343 PolarHBondContact O-N 2.64Å; T339-V343 VanDerWaalsContact O-N 3.13Å | ||
| 340 | T | 95.4 | Very high | 95.9 | Very high | 22 Ų | 22 | 62.9 Ų | 62.9 | 14% | 0.135 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -24.7 | 172 | -59.7 | 0 | 0 | 0 | 0 | 112.7 | G303 L306 G307 D342 V343 A344 V420 | G303-T340 VanDerWaalsContact O-CB 3.31Å; G303-T340 WeakPolarHBondContact O-CB 3.18Å; G303-T340 PolarHBondContact O-OG1 3.37Å; L306-T340 HydrophobicContact CB-CG2 4.2Å; L306-T340 HydrophobicContact CD1-CG2 4.11Å; G307-T340 PolarHBondContact N-OG1 2.93Å; T340-D342 VanDerWaalsContact C-N 3.3Å; T340-V343 WeakPolarHBondContact O-CB 3.38Å; T340-V343 PolarHBondContact O-N 2.93Å; T340-A344 PolarHBondContact O-N 3.4Å; T340-V420 HydrophobicContact CG2-CG2 4.02Å |
| 341 | G | 96.9 | Very high | 95.9 | Very high | 47 Ų | 47 | 60.3 Ų | 60.3 | 49% | 0.485 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63 | -38.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112 | T339 A344 A345 | T339-G341 PolarHBondContact O-N 3.42Å; T339-G341 PolarHBondContact OG1-N 3.21Å; G341-A344 PolarHBondContact O-N 3.21Å; G341-A345 WeakPolarHBondContact O-CB 3.41Å; G341-A345 PolarHBondContact O-N 2.95Å |
| 342 | D | 98.1 | Very high | 95.8 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 174.5 | -58.2 | -47.8 | 0 | 0 | 0 | 111.4 | I338 T339 T340 A344 A345 M346 I359 R362 | I338-D342 HydrophobicContact CG2-CB 4.11Å; T339-D342 WeakPolarHBondContact CB-OD2 3.44Å; T339-D342 PolarHBondContact N-OD2 2.96Å; T339-D342 WeakPolarHBondContact O-CA 3.39Å; T339-D342 VanDerWaalsContact O-CB 3.29Å; T339-D342 WeakPolarHBondContact O-CB 3.21Å; T339-D342 PolarHBondContact O-N 2.97Å; T339-D342 PolarHBondContact OG1-N 2.82Å; T339-D342 PolarHBondContact OG1-OD2 3.26Å; T340-D342 VanDerWaalsContact C-N 3.3Å; D342-A344 PolarHBondContact O-N 3.05Å; D342-A345 PolarHBondContact O-N 3.21Å; D342-M346 HydrophobicContact CB-CE 4.28Å; D342-M346 WeakPolarHBondContact O-CE 2.94Å; D342-M346 VanDerWaalsContact O-CG 3.26Å; D342-M346 WeakPolarHBondContact O-CG 3.26Å; D342-M346 PolarHBondContact O-N 3.36Å; D342-I359 HydrophobicContact CB-CD1 3.81Å; D342-I359 HydrophobicContact CB-CG1 4.32Å; D342-I359 HydrophobicContact CB-CG2 4.27Å; D342-R362 VanDerWaalsContact CG-NH2 3.27Å; D342-R362 IonicContact OD1-CZ 3.8Å; D342-R362 IonicContact OD1-NH2 2.74Å; D342-R362 PolarHBondContact OD1-NH2 2.88Å; D342-R362 IonicContact OD2-NH2 3.63Å; D342-R362 PolarHBondContact OD2-NH2 2.93Å |
| 343 | V | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.3 | -49.3 | 173 | 177.1 | 0 | 0 | 0 | 0 | 111 | V310 T339 T340 A345 M346 E347 S379 | V310-V343 HydrophobicContact CB-CG2 4.36Å; V310-V343 HydrophobicContact CG2-CG2 3.9Å; T339-V343 PolarHBondContact O-N 2.64Å; T339-V343 VanDerWaalsContact O-N 3.13Å; T340-V343 WeakPolarHBondContact O-CB 3.38Å; T340-V343 PolarHBondContact O-N 2.93Å; V343-A345 PolarHBondContact O-N 3.19Å; V343-M346 HydrophobicContact CG2-CE 4.37Å; V343-M346 PolarHBondContact O-N 2.88Å; V343-E347 PolarHBondContact O-N 2.7Å; V343-S379 VanDerWaalsContact CG1-OG 3.27Å; V343-S379 WeakPolarHBondContact CG1-OG 3.32Å; V343-S379 PolarHBondContact O-OG 2.96Å |
| 344 | A | 97.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T340 G341 D342 E347 E348 H424 | T340-A344 PolarHBondContact O-N 3.4Å; G341-A344 PolarHBondContact O-N 3.21Å; D342-A344 PolarHBondContact O-N 3.05Å; A344-E347 PolarHBondContact O-N 3.36Å; A344-E348 PolarHBondContact O-N 2.73Å; A344-H424 HydrophobicContact CB-CB 4.31Å |
| 345 | A | 97.8 | Very high | 95.9 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G341 D342 V343 E347 E348 N355 I359 | G341-A345 WeakPolarHBondContact O-CB 3.41Å; G341-A345 PolarHBondContact O-N 2.95Å; D342-A345 PolarHBondContact O-N 3.21Å; V343-A345 PolarHBondContact O-N 3.19Å; A345-E347 PolarHBondContact O-N 2.86Å; A345-E348 PolarHBondContact O-N 3.44Å; A345-N355 HydrophobicContact CB-CB 4.29Å; A345-N355 WeakPolarHBondContact O-CB 3.38Å; A345-N355 PolarHBondContact O-ND2 2.87Å; A345-I359 HydrophobicContact CB-CD1 4.28Å |
| 346 | M | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -28.7 | 175.5 | -72.2 | -174.4 | -85.3 | 0 | 0 | 112 | V310 I338 D342 V343 G352 T356 I359 V375 Q376 | V310-M346 HydrophobicContact CG1-CE 4.21Å; I338-M346 HydrophobicContact CG2-CE 4.09Å; D342-M346 HydrophobicContact CB-CE 4.28Å; D342-M346 WeakPolarHBondContact O-CE 2.94Å; D342-M346 VanDerWaalsContact O-CG 3.26Å; D342-M346 WeakPolarHBondContact O-CG 3.26Å; D342-M346 PolarHBondContact O-N 3.36Å; V343-M346 HydrophobicContact CG2-CE 4.37Å; V343-M346 PolarHBondContact O-N 2.88Å; M346-G352 CarbonylContact O-C 3.44Å; M346-G352 WeakPolarHBondContact O-CA 3.43Å; M346-T356 HydrophobicContact CG-CG2 4.31Å; M346-T356 WeakPolarHBondContact CG-OG1 3.33Å; M346-T356 HydrophobicContact SD-CG2 4.05Å; M346-I359 HydrophobicContact CG-CD1 3.74Å; M346-V375 HydrophobicContact SD-CG1 3.84Å; M346-Q376 WeakPolarHBondContact O-CG 3.49Å; M346-Q376 PolarHBondContact O-NE2 3.33Å |
| 347 | E | 96.7 | Very high | 96.3 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 11.5 | -177.7 | -66.8 | -169.4 | -126.8 | 0 | 0 | 114.7 | V343 A344 A345 Y349 S379 T380 S383 H424 P425 R430 | V343-E347 PolarHBondContact O-N 2.7Å; A344-E347 PolarHBondContact O-N 3.36Å; A345-E347 PolarHBondContact O-N 2.86Å; E347-Y349 PolarHBondContact O-N 3.47Å; E347-S379 VanDerWaalsContact OE1-O 3.08Å; E347-S379 PolarHBondContact OE1-OG 3.46Å; E347-T380 WeakPolarHBondContact OE1-CA 3.46Å; E347-T380 PolarHBondContact OE1-N 2.87Å; E347-S383 VanDerWaalsContact CD-OG 3.29Å; E347-S383 VanDerWaalsContact OE1-CB 3.32Å; E347-S383 WeakPolarHBondContact OE1-CB 3.5Å; E347-S383 PolarHBondContact OE1-OG 3.11Å; E347-S383 PolarHBondContact OE2-OG 3.48Å; E347-H424 VanDerWaalsContact CD-CE1 3.5Å; E347-H424 IonicContact OE1-CE1 2.79Å; E347-H424 IonicContact OE1-NE2 2.98Å; E347-H424 PolarHBondContact OE1-NE2 3.23Å; E347-H424 IonicContact OE2-CE1 2.75Å; E347-H424 PolarHBondContact OE2-CE1 3.45Å; E347-H424 IonicContact OE2-NE2 2.88Å; E347-P425 HydrophobicContact CB-CG 4.28Å; E347-P425 WeakPolarHBondContact O-CG 3.32Å; E347-R430 IonicContact OE2-CZ 3.72Å; E347-R430 IonicContact OE2-NH1 3.33Å; E347-R430 PolarHBondContact OE2-NH1 3.19Å; E347-R430 IonicContact OE2-NH2 3.51Å; E347-R430 PolarHBondContact OE2-NH2 3.21Å |
| 348 | E | 95.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 59.3 Ų | 59.3 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | trans | -62.5 | 133.5 | 171.1 | -75.9 | -173.4 | 178.1 | 0 | 0 | 111.8 | A344 A345 R350 G352 N355 | A344-E348 PolarHBondContact O-N 2.73Å; A345-E348 PolarHBondContact O-N 3.44Å; E348-R350 PolarHBondContact O-N 2.85Å; E348-G352 WeakPolarHBondContact O-CA 3.22Å; E348-G352 PolarHBondContact O-N 3.18Å; E348-N355 PolarHBondContact OE2-ND2 3.38Å | ||
| 349 | Y | 87.6 | Confident | 96.4 | Very high | 209 Ų | 209 | 59.7 Ų | 59.7 | 82% | 0.82 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -41.2 | -172 | -177.8 | -103.5 | 0 | 0 | 0 | 114.2 | E347 | E347-Y349 PolarHBondContact O-N 3.47Š|
| 350 | R | 91.3 | Very high | 96.5 | Very high | 223 Ų | 223 | 56.5 Ų | 56.5 | 84% | 0.842 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -37 | -176.9 | -65 | -170.6 | 178.5 | 179.1 | -0.6 | 113.6 | E348 | E348-R350 PolarHBondContact O-N 2.85Š|
| 351 | N | 95.6 | Very high | 96.6 | Very high | 76 Ų | 76 | 59 Ų | 59 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -1.2 | -169 | -61.3 | -36.5 | 0 | 0 | 0 | 113.4 | L353 K354 N355 | N351-L353 PolarHBondContact O-N 3.33Å; N351-K354 CarbonylContact O-C 3.6Å; N351-K354 WeakPolarHBondContact O-CA 3.48Å; N351-K354 WeakPolarHBondContact O-CB 3.41Å; N351-K354 PolarHBondContact O-N 3.3Å; N351-N355 VanDerWaalsContact O-CG 3.24Å; N351-N355 PolarHBondContact O-N 3.48Å; N351-N355 PolarHBondContact O-OD1 2.99Å |
| 352 | G | 95.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 63.6 Ų | 63.6 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.4 | -46.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | M346 E348 N355 T356 | M346-G352 CarbonylContact O-C 3.44Å; M346-G352 WeakPolarHBondContact O-CA 3.43Å; E348-G352 WeakPolarHBondContact O-CA 3.22Å; E348-G352 PolarHBondContact O-N 3.18Å; G352-N355 PolarHBondContact O-N 3.13Å; G352-T356 WeakPolarHBondContact O-CB 3.26Å; G352-T356 PolarHBondContact O-N 3.03Å; G352-T356 PolarHBondContact O-OG1 3Å |
| 353 | L | 96.9 | Very high | 96.5 | Very high | 79 Ų | 79 | 63 Ų | 63 | 41% | 0.414 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.4 | -37.4 | 177.1 | -73.2 | 173.7 | 0 | 0 | 0 | 113 | N351 T356 K357 C372 V373 Q376 | N351-L353 PolarHBondContact O-N 3.33Å; L353-T356 PolarHBondContact O-N 2.69Å; L353-K357 PolarHBondContact O-N 3.36Å; L353-C372 HydrophobicContact CD2-CB 4.35Å; L353-V373 HydrophobicContact CD1-CG2 4.47Å; L353-V373 HydrophobicContact CD2-CB 4.44Å; L353-V373 HydrophobicContact CD2-CG2 3.84Å; L353-Q376 HydrophobicContact CD2-CB 4.28Å |
| 354 | K | 97.6 | Very high | 96.4 | Very high | 129 Ų | 129 | 69.9 Ų | 69.9 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.3 | -49.2 | 175.3 | 179.8 | -173.9 | 169.2 | -172.2 | 0 | 110.2 | N351 T356 K357 E358 | N351-K354 CarbonylContact O-C 3.6Å; N351-K354 WeakPolarHBondContact O-CA 3.48Å; N351-K354 WeakPolarHBondContact O-CB 3.41Å; N351-K354 PolarHBondContact O-N 3.3Å; K354-T356 VanDerWaalsContact C-N 3.29Å; K354-T356 PolarHBondContact O-N 2.97Å; K354-K357 WeakPolarHBondContact O-CB 3.33Å; K354-K357 PolarHBondContact O-N 3.48Å; K354-E358 WeakPolarHBondContact CE-OE1 3.29Å; K354-E358 IonicContact NZ-OE1 2.67Å; K354-E358 WeakPolarHBondContact O-CG 3.45Å; K354-E358 PolarHBondContact O-N 3.45Å |
| 355 | N | 97.8 | Very high | 96.3 | Very high | 23 Ų | 23 | 69.7 Ų | 69.7 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 176.4 | -63.1 | -12.8 | 0 | 0 | 0 | 110.3 | A345 E348 N351 G352 K357 E358 I359 | A345-N355 HydrophobicContact CB-CB 4.29Å; A345-N355 WeakPolarHBondContact O-CB 3.38Å; A345-N355 PolarHBondContact O-ND2 2.87Å; E348-N355 PolarHBondContact OE2-ND2 3.38Å; N351-N355 VanDerWaalsContact O-CG 3.24Å; N351-N355 PolarHBondContact O-N 3.48Å; N351-N355 PolarHBondContact O-OD1 2.99Å; G352-N355 PolarHBondContact O-N 3.13Å; N355-K357 PolarHBondContact O-N 3.25Å; N355-E358 PolarHBondContact O-N 3.29Å; N355-I359 WeakPolarHBondContact O-CB 3.37Å; N355-I359 WeakPolarHBondContact O-CD1 3.49Å; N355-I359 WeakPolarHBondContact O-CG1 3.41Å; N355-I359 PolarHBondContact O-N 3.34Å |
| 356 | T | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.4 | -47.3 | 176.5 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | M346 G352 L353 K354 E358 I359 L360 C372 V375 | M346-T356 HydrophobicContact CG-CG2 4.31Å; M346-T356 WeakPolarHBondContact CG-OG1 3.33Å; M346-T356 HydrophobicContact SD-CG2 4.05Å; G352-T356 WeakPolarHBondContact O-CB 3.26Å; G352-T356 PolarHBondContact O-N 3.03Å; G352-T356 PolarHBondContact O-OG1 3Å; L353-T356 PolarHBondContact O-N 2.69Å; K354-T356 VanDerWaalsContact C-N 3.29Å; K354-T356 PolarHBondContact O-N 2.97Å; T356-E358 PolarHBondContact O-N 3.38Å; T356-I359 PolarHBondContact O-N 3.17Å; T356-L360 HydrophobicContact CG2-CD1 3.83Å; T356-L360 HydrophobicContact CG2-CG 4.37Å; T356-L360 WeakPolarHBondContact O-CB 3.43Å; T356-L360 VanDerWaalsContact O-CG 3.23Å; T356-L360 WeakPolarHBondContact O-CG 3.3Å; T356-L360 PolarHBondContact O-N 3.05Å; T356-C372 HydrophobicContact CG2-CB 4.3Å; T356-C372 WeakPolarHBondContact CG2-O 3.38Å; T356-V375 HydrophobicContact CG2-CB 3.98Å; T356-V375 HydrophobicContact CG2-CG1 3.9Å |
| 357 | K | 98.1 | Very high | 96.1 | Very high | 122 Ų | 122 | 75.6 Ų | 75.6 | 53% | 0.53 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 176.4 | -175.5 | 175.9 | -180 | 177.1 | 0 | 112.3 | L353 K354 N355 L360 T361 P367 | L353-K357 PolarHBondContact O-N 3.36Å; K354-K357 WeakPolarHBondContact O-CB 3.33Å; K354-K357 PolarHBondContact O-N 3.48Å; N355-K357 PolarHBondContact O-N 3.25Å; K357-L360 PolarHBondContact O-N 2.9Å; K357-T361 WeakPolarHBondContact O-CB 3.42Å; K357-T361 PolarHBondContact O-N 2.97Å; K357-T361 PolarHBondContact O-OG1 2.97Å; K357-P367 HydrophobicContact CG-CG 4.24Å |
| 358 | E | 97.9 | Very high | 96.1 | Very high | 105 Ų | 105 | 77.4 Ų | 77.4 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 179.1 | -71.6 | 175.1 | -175.8 | 0 | 0 | 111.8 | K354 N355 T356 T361 R362 | K354-E358 WeakPolarHBondContact CE-OE1 3.29Å; K354-E358 IonicContact NZ-OE1 2.67Å; K354-E358 WeakPolarHBondContact O-CG 3.45Å; K354-E358 PolarHBondContact O-N 3.45Å; N355-E358 PolarHBondContact O-N 3.29Å; T356-E358 PolarHBondContact O-N 3.38Å; E358-T361 PolarHBondContact O-N 3.44Å; E358-R362 WeakPolarHBondContact O-CB 3.32Å; E358-R362 PolarHBondContact O-N 3.01Å |
| 359 | I | 98.2 | Very high | 96.1 | Very high | 11 Ų | 11 | 78.6 Ų | 78.6 | 6% | 0.056 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.1 | -49 | 176.7 | -69.7 | 157.6 | 0 | 0 | 0 | 110.5 | D342 A345 M346 N355 T356 T361 R362 L363 | D342-I359 HydrophobicContact CB-CD1 3.81Å; D342-I359 HydrophobicContact CB-CG1 4.32Å; D342-I359 HydrophobicContact CB-CG2 4.27Å; A345-I359 HydrophobicContact CB-CD1 4.28Å; M346-I359 HydrophobicContact CG-CD1 3.74Å; N355-I359 WeakPolarHBondContact O-CB 3.37Å; N355-I359 WeakPolarHBondContact O-CD1 3.49Å; N355-I359 WeakPolarHBondContact O-CG1 3.41Å; N355-I359 PolarHBondContact O-N 3.34Å; T356-I359 PolarHBondContact O-N 3.17Å; I359-T361 VanDerWaalsContact C-N 3.32Å; I359-T361 PolarHBondContact O-N 3.49Å; I359-R362 WeakPolarHBondContact O-CB 3.4Å; I359-R362 PolarHBondContact O-N 3.41Å; I359-L363 WeakPolarHBondContact O-CG 3.17Å; I359-L363 PolarHBondContact O-N 3.08Å; I359-L363 VanDerWaalsContact O-N 3.15Å |
| 360 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 179 | -70 | 172.2 | 0 | 0 | 0 | 111.8 | F324 T356 K357 R362 L363 L365 P367 V375 | F324-L360 HydrophobicContact CE1-CD1 4.1Å; F324-L360 HydrophobicContact CE1-CD2 4.14Å; F324-L360 HydrophobicContact CZ-CD1 4.42Å; F324-L360 HydrophobicContact CZ-CD2 3.75Å; T356-L360 HydrophobicContact CG2-CD1 3.83Å; T356-L360 HydrophobicContact CG2-CG 4.37Å; T356-L360 WeakPolarHBondContact O-CB 3.43Å; T356-L360 VanDerWaalsContact O-CG 3.23Å; T356-L360 WeakPolarHBondContact O-CG 3.3Å; T356-L360 PolarHBondContact O-N 3.05Å; K357-L360 PolarHBondContact O-N 2.9Å; L360-R362 VanDerWaalsContact C-N 3.35Å; L360-L363 WeakPolarHBondContact O-CB 3.26Å; L360-L363 PolarHBondContact O-N 3.21Å; L360-L363 VanDerWaalsContact O-N 3.12Å; L360-L365 HydrophobicContact CD2-CD1 4.07Å; L360-L365 WeakPolarHBondContact O-CB 3.31Å; L360-L365 PolarHBondContact O-N 3.4Å; L360-P367 HydrophobicContact CB-CB 4.1Å; L360-P367 HydrophobicContact CB-CG 3.81Å; L360-P367 HydrophobicContact CD1-CB 3.79Å; L360-P367 HydrophobicContact CD1-CG 4.26Å; L360-V375 HydrophobicContact CD1-CB 4.19Å; L360-V375 HydrophobicContact CD1-CG1 4.34Å; L360-V375 HydrophobicContact CD1-CG2 4.03Å; L360-V375 HydrophobicContact CD2-CG1 4.22Å; L360-V375 HydrophobicContact CD2-CG2 4.22Å |
| 361 | T | 97.3 | Very high | 96.8 | Very high | 74 Ų | 74 | 62.5 Ų | 62.5 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 174.7 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | K357 E358 I359 L363 H364 | K357-T361 WeakPolarHBondContact O-CB 3.42Å; K357-T361 PolarHBondContact O-N 2.97Å; K357-T361 PolarHBondContact O-OG1 2.97Å; E358-T361 PolarHBondContact O-N 3.44Å; I359-T361 VanDerWaalsContact C-N 3.32Å; I359-T361 PolarHBondContact O-N 3.49Å; T361-L363 PolarHBondContact O-N 2.91Å; T361-H364 WeakPolarHBondContact O-CA 3.47Å; T361-H364 PolarHBondContact O-N 3.44Å |
| 362 | R | 96.4 | Very high | 96.9 | Very high | 144 Ų | 144 | 59.2 Ų | 59.2 | 54% | 0.543 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.3 | -23.7 | 174.1 | -178.3 | 176 | 60.8 | 168.8 | -2 | 112.7 | D342 E358 I359 L360 H364 | D342-R362 VanDerWaalsContact CG-NH2 3.27Å; D342-R362 IonicContact OD1-CZ 3.8Å; D342-R362 IonicContact OD1-NH2 2.74Å; D342-R362 PolarHBondContact OD1-NH2 2.88Å; D342-R362 IonicContact OD2-NH2 3.63Å; D342-R362 PolarHBondContact OD2-NH2 2.93Å; E358-R362 WeakPolarHBondContact O-CB 3.32Å; E358-R362 PolarHBondContact O-N 3.01Å; I359-R362 WeakPolarHBondContact O-CB 3.4Å; I359-R362 PolarHBondContact O-N 3.41Å; L360-R362 VanDerWaalsContact C-N 3.35Å; R362-H364 PolarHBondContact O-N 3.41Å |
| 363 | L | 96.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 13.2 | 170.7 | -59.8 | 175.7 | 0 | 0 | 0 | 113 | S329 A331 L332 K337 I338 I359 L360 T361 L365 | S329-L363 WeakPolarHBondContact CB-O 3.4Å; S329-L363 PolarHBondContact OG-O 3.5Å; A331-L363 HydrophobicContact CB-CB 4.28Å; A331-L363 HydrophobicContact CB-CD2 4.1Å; L332-L363 HydrophobicContact CD1-CD1 4.39Å; K337-L363 HydrophobicContact CB-CD2 3.77Å; I338-L363 HydrophobicContact CD1-CD1 3.9Å; I338-L363 HydrophobicContact CG1-CD1 3.76Å; I359-L363 WeakPolarHBondContact O-CG 3.17Å; I359-L363 PolarHBondContact O-N 3.08Å; I359-L363 VanDerWaalsContact O-N 3.15Å; L360-L363 WeakPolarHBondContact O-CB 3.26Å; L360-L363 PolarHBondContact O-N 3.21Å; L360-L363 VanDerWaalsContact O-N 3.12Å; T361-L363 PolarHBondContact O-N 2.91Å; L363-L365 VanDerWaalsContact C-N 3.27Å; L363-L365 HydrophobicContact CB-CD1 4.21Å; L363-L365 HydrophobicContact CB-CG 4.34Å; L363-L365 PolarHBondContact O-N 2.87Å |
| 364 | H | 96.3 | Very high | 97 | Very high | 146 Ų | 146 | 57.6 Ų | 57.6 | 68% | 0.676 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 35.1 | -177.9 | -48.2 | -62.8 | 0 | 0 | 0 | 113.4 | T361 R362 | T361-H364 WeakPolarHBondContact O-CA 3.47Å; T361-H364 PolarHBondContact O-N 3.44Å; R362-H364 PolarHBondContact O-N 3.41Å |
| 365 | L | 95.8 | Very high | 97 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | trans | -106.1 | 160.2 | 172.1 | -58 | 167.5 | 0 | 0 | 0 | 110.2 | F324 L332 L360 L363 P367 | F324-L365 HydrophobicContact CD2-CD1 4.11Å; F324-L365 HydrophobicContact CD2-CD2 4.38Å; F324-L365 HydrophobicContact CE1-CD1 4.24Å; F324-L365 HydrophobicContact CE2-CD1 3.77Å; F324-L365 HydrophobicContact CZ-CD1 3.85Å; L332-L365 HydrophobicContact CD2-CD1 4.22Å; L360-L365 HydrophobicContact CD2-CD1 4.07Å; L360-L365 WeakPolarHBondContact O-CB 3.31Å; L360-L365 PolarHBondContact O-N 3.4Å; L363-L365 VanDerWaalsContact C-N 3.27Å; L363-L365 HydrophobicContact CB-CD1 4.21Å; L363-L365 HydrophobicContact CB-CG 4.34Å; L363-L365 PolarHBondContact O-N 2.87Å; L365-P367 VanDerWaalsContact C-CD 3.49Å; L365-P367 VanDerWaalsContact O-CD 3.27Å; L365-P367 WeakPolarHBondContact O-CD 3.42Å | ||
| 366 | T | 94.6 | Very high | 97 | Very high | 131 Ų | 131 | 52.4 Ų | 52.4 | 80% | 0.804 | 27% | 0.274 | S | S | * | . | trans | -115.2 | 74.4 | 175.6 | 38.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 367 | P | 96.3 | Very high | 97 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 12% | 0.117 | 28% | 0.282 | C | S | . | . | trans | -73 | 137.7 | -169.5 | 32.3 | -38.6 | 0 | 0 | 0 | 112.4 | F324 K357 L360 L365 D371 | F324-P367 HydrophobicContact CD1-CB 4.43Å; F324-P367 HydrophobicContact CE1-CB 4.22Å; K357-P367 HydrophobicContact CG-CG 4.24Å; L360-P367 HydrophobicContact CB-CB 4.1Å; L360-P367 HydrophobicContact CB-CG 3.81Å; L360-P367 HydrophobicContact CD1-CB 3.79Å; L360-P367 HydrophobicContact CD1-CG 4.26Å; L365-P367 VanDerWaalsContact C-CD 3.49Å; L365-P367 VanDerWaalsContact O-CD 3.27Å; L365-P367 WeakPolarHBondContact O-CD 3.42Å; P367-D371 HydrophobicContact CB-CB 4.1Å | ||
| 368 | S | 96.5 | Very high | 97 | Very high | 47 Ų | 47 | 48.3 Ų | 48.3 | 33% | 0.329 | 26% | 0.257 | S | S | . | . | trans | -73.2 | 166.7 | 165.7 | 70.3 | 0 | 0 | 0 | 0 | 111.4 | D370 D371 C372 | S368-D370 VanDerWaalsContact C-N 3.26Å; S368-D370 PolarHBondContact O-N 3.26Å; S368-D371 WeakPolarHBondContact CB-OD2 3.44Å; S368-D371 PolarHBondContact N-OD2 3.21Å; S368-D371 PolarHBondContact O-N 3.19Å; S368-D371 PolarHBondContact OG-N 2.98Å; S368-D371 VanDerWaalsContact OG-N 3.07Å; S368-D371 PolarHBondContact OG-OD2 2.89Å; S368-C372 PolarHBondContact O-N 3.5Å; S368-C372 VanDerWaalsContact O-N 3.13Å; S368-C372 PolarHBondContact O-SG 3.43Å | ||
| 369 | P | 95.5 | Very high | 97.1 | Very high | 104 Ų | 104 | 43.3 Ų | 43.3 | 68% | 0.675 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -56.6 | -40.2 | 170.9 | -25.5 | 35.8 | 0 | 0 | 0 | 112.8 | C372 V373 | P369-C372 WeakPolarHBondContact O-CB 3.31Å; P369-C372 PolarHBondContact O-N 2.93Å; P369-V373 WeakPolarHBondContact O-CG2 3.32Å; P369-V373 PolarHBondContact O-N 3.36Å |
| 370 | D | 95.9 | Very high | 97.1 | Very high | 79 Ų | 79 | 44.5 Ų | 44.5 | 42% | 0.422 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67 | -37.6 | 178.8 | -72.4 | -7.5 | 0 | 0 | 0 | 111.8 | P18 S368 C372 V373 A374 | P18-D370 HydrophobicContact CB-CB 4.48Å; P18-D370 HydrophobicContact CG-CB 3.72Å; S368-D370 VanDerWaalsContact C-N 3.26Å; S368-D370 PolarHBondContact O-N 3.26Å; D370-C372 VanDerWaalsContact C-N 3.31Å; D370-C372 PolarHBondContact O-N 2.97Å; D370-V373 PolarHBondContact O-N 2.96Å; D370-A374 WeakPolarHBondContact O-CB 3.35Å; D370-A374 PolarHBondContact O-N 3.37Å |
| 371 | D | 97 | Very high | 97.1 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 172.7 | -66.9 | -51.5 | 0 | 0 | 0 | 111.3 | L323 F324 P367 S368 A374 V375 | L323-D371 WeakPolarHBondContact CA-OD1 3.35Å; L323-D371 HydrophobicContact CD2-CB 4.47Å; F324-D371 HydrophobicContact CD1-CB 3.88Å; F324-D371 HydrophobicContact CE1-CB 3.71Å; F324-D371 PolarHBondContact N-OD1 3.17Å; P367-D371 HydrophobicContact CB-CB 4.1Å; S368-D371 WeakPolarHBondContact CB-OD2 3.44Å; S368-D371 PolarHBondContact N-OD2 3.21Å; S368-D371 PolarHBondContact O-N 3.19Å; S368-D371 PolarHBondContact OG-N 2.98Å; S368-D371 VanDerWaalsContact OG-N 3.07Å; S368-D371 PolarHBondContact OG-OD2 2.89Å; D371-A374 PolarHBondContact O-N 3.11Å; D371-V375 WeakPolarHBondContact O-CB 3.48Å; D371-V375 VanDerWaalsContact O-CG2 3.23Å; D371-V375 WeakPolarHBondContact O-CG2 3.46Å; D371-V375 PolarHBondContact O-N 3.29Å |
| 372 | C | 97.7 | Very high | 97.1 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 178.4 | -62.4 | 0 | 0 | 0 | 0 | 111.3 | L353 T356 S368 P369 D370 Q376 | L353-C372 HydrophobicContact CD2-CB 4.35Å; T356-C372 HydrophobicContact CG2-CB 4.3Å; T356-C372 WeakPolarHBondContact CG2-O 3.38Å; S368-C372 PolarHBondContact O-N 3.5Å; S368-C372 VanDerWaalsContact O-N 3.13Å; S368-C372 PolarHBondContact O-SG 3.43Å; P369-C372 WeakPolarHBondContact O-CB 3.31Å; P369-C372 PolarHBondContact O-N 2.93Å; D370-C372 VanDerWaalsContact C-N 3.31Å; D370-C372 PolarHBondContact O-N 2.97Å; C372-Q376 VanDerWaalsContact O-CB 3.29Å; C372-Q376 WeakPolarHBondContact O-CB 3.12Å; C372-Q376 PolarHBondContact O-N 3.22Å |
| 373 | V | 97.7 | Very high | 97.2 | Very high | 42 Ų | 42 | 34.5 Ų | 34.5 | 26% | 0.255 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.5 | -46.5 | 175.4 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | P18 T19 L353 P369 D370 Q376 H377 | P18-V373 HydrophobicContact CB-CB 4.5Å; P18-V373 HydrophobicContact CB-CG1 4.26Å; T19-V373 HydrophobicContact CG2-CG1 3.72Å; L353-V373 HydrophobicContact CD1-CG2 4.47Å; L353-V373 HydrophobicContact CD2-CB 4.44Å; L353-V373 HydrophobicContact CD2-CG2 3.84Å; P369-V373 WeakPolarHBondContact O-CG2 3.32Å; P369-V373 PolarHBondContact O-N 3.36Å; D370-V373 PolarHBondContact O-N 2.96Å; V373-Q376 PolarHBondContact O-N 3.09Å; V373-H377 WeakPolarHBondContact O-CB 3.27Å; V373-H377 PolarHBondContact O-N 2.99Å |
| 374 | A | 97.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P18 V22 L323 D370 D371 H377 V378 | P18-A374 HydrophobicContact CB-CB 4.16Å; V22-A374 HydrophobicContact CG2-CB 3.79Å; L323-A374 HydrophobicContact CD2-CB 3.62Å; D370-A374 WeakPolarHBondContact O-CB 3.35Å; D370-A374 PolarHBondContact O-N 3.37Å; D371-A374 PolarHBondContact O-N 3.11Å; A374-H377 PolarHBondContact O-N 3.04Å; A374-V378 WeakPolarHBondContact O-CG2 3.34Å; A374-V378 PolarHBondContact O-N 2.74Å |
| 375 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67 | -40.3 | 179.2 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | V314 L323 F324 M346 T356 L360 D371 H377 V378 S379 | V314-V375 HydrophobicContact CG1-CG2 4.28Å; V314-V375 HydrophobicContact CG2-CG1 4.05Å; V314-V375 HydrophobicContact CG2-CG2 4.04Å; L323-V375 HydrophobicContact CD1-CG2 3.99Å; F324-V375 HydrophobicContact CE1-CG2 4.47Å; F324-V375 HydrophobicContact CZ-CG2 3.97Å; M346-V375 HydrophobicContact SD-CG1 3.84Å; T356-V375 HydrophobicContact CG2-CB 3.98Å; T356-V375 HydrophobicContact CG2-CG1 3.9Å; L360-V375 HydrophobicContact CD1-CB 4.19Å; L360-V375 HydrophobicContact CD1-CG1 4.34Å; L360-V375 HydrophobicContact CD1-CG2 4.03Å; L360-V375 HydrophobicContact CD2-CG1 4.22Å; L360-V375 HydrophobicContact CD2-CG2 4.22Å; D371-V375 WeakPolarHBondContact O-CB 3.48Å; D371-V375 VanDerWaalsContact O-CG2 3.23Å; D371-V375 WeakPolarHBondContact O-CG2 3.46Å; D371-V375 PolarHBondContact O-N 3.29Å; V375-H377 VanDerWaalsContact C-N 3.26Å; V375-H377 PolarHBondContact O-N 3.18Å; V375-V378 WeakPolarHBondContact O-CB 3.46Å; V375-V378 PolarHBondContact O-N 3.44Å; V375-S379 PolarHBondContact O-N 3.05Å |
| 376 | Q | 98.1 | Very high | 97.6 | Very high | 44 Ų | 44 | 31 Ų | 31 | 21% | 0.206 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.5 | -38.9 | 172.8 | -177.5 | -177.9 | 53.2 | 0 | 0 | 111.4 | M346 L353 C372 V373 S379 T380 | M346-Q376 WeakPolarHBondContact O-CG 3.49Å; M346-Q376 PolarHBondContact O-NE2 3.33Å; L353-Q376 HydrophobicContact CD2-CB 4.28Å; C372-Q376 VanDerWaalsContact O-CB 3.29Å; C372-Q376 WeakPolarHBondContact O-CB 3.12Å; C372-Q376 PolarHBondContact O-N 3.22Å; V373-Q376 PolarHBondContact O-N 3.09Å; Q376-S379 WeakPolarHBondContact O-CB 3.39Å; Q376-S379 PolarHBondContact O-N 3.25Å; Q376-T380 PolarHBondContact O-N 2.92Å; Q376-T380 PolarHBondContact O-OG1 3.17Å |
| 377 | H | 97.9 | Very high | 97.8 | Very high | 36 Ų | 36 | 24.8 Ų | 24.8 | 17% | 0.167 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.4 | -36.4 | 177.4 | -161.3 | 64.4 | 0 | 0 | 0 | 112.4 | T19 V22 D23 V373 A374 V375 T380 I381 | T19-H377 HydrophobicContact CG2-CB 4.3Å; T19-H377 PolarHBondContact O-CD2 3.44Å; V22-H377 HydrophobicContact CG1-CB 4.37Å; D23-H377 IonicContact OD1-CD2 2.77Å; D23-H377 IonicContact OD1-CE1 3.48Å; D23-H377 IonicContact OD1-NE2 3.77Å; D23-H377 PolarHBondContact OD1-NE2 3.32Å; D23-H377 IonicContact OD2-NE2 3.29Å; V373-H377 WeakPolarHBondContact O-CB 3.27Å; V373-H377 PolarHBondContact O-N 2.99Å; A374-H377 PolarHBondContact O-N 3.04Å; V375-H377 VanDerWaalsContact C-N 3.26Å; V375-H377 PolarHBondContact O-N 3.18Å; H377-T380 WeakPolarHBondContact O-CB 3.42Å; H377-T380 PolarHBondContact O-N 3.39Å; H377-I381 WeakPolarHBondContact O-CG1 3.24Å; H377-I381 PolarHBondContact O-N 2.88Å |
| 378 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.4 | -49.5 | 169 | 168.3 | 0 | 0 | 0 | 0 | 110.5 | V22 L26 V310 V313 V314 M317 A374 V375 T380 I381 V382 | V22-V378 HydrophobicContact CG1-CG2 3.66Å; V22-V378 HydrophobicContact CG2-CG2 4.17Å; L26-V378 HydrophobicContact CD1-CB 4.41Å; L26-V378 HydrophobicContact CD1-CG1 4.27Å; L26-V378 HydrophobicContact CD1-CG2 4.12Å; V310-V378 HydrophobicContact CG1-CG1 4.24Å; V313-V378 HydrophobicContact CB-CG1 3.8Å; V313-V378 HydrophobicContact CG1-CB 4.36Å; V313-V378 HydrophobicContact CG1-CG1 3.49Å; V313-V378 VanDerWaalsContact CG1-CG1 3.49Å; V313-V378 HydrophobicContact CG1-CG2 3.87Å; V314-V378 HydrophobicContact CG2-CG1 4.33Å; M317-V378 HydrophobicContact SD-CG2 3.91Å; A374-V378 WeakPolarHBondContact O-CG2 3.34Å; A374-V378 PolarHBondContact O-N 2.74Å; V375-V378 WeakPolarHBondContact O-CB 3.46Å; V375-V378 PolarHBondContact O-N 3.44Å; V378-T380 VanDerWaalsContact C-N 3.27Å; V378-T380 PolarHBondContact O-N 3.02Å; V378-I381 PolarHBondContact O-N 3.47Å; V378-V382 HydrophobicContact CG1-CG2 4.47Å; V378-V382 WeakPolarHBondContact O-CG2 3.46Å; V378-V382 PolarHBondContact O-N 3.05Å |
| 379 | S | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -53.7 | -47.8 | 175.7 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | V343 E347 V375 Q376 I381 V382 S383 | V343-S379 VanDerWaalsContact CG1-OG 3.27Å; V343-S379 WeakPolarHBondContact CG1-OG 3.32Å; V343-S379 PolarHBondContact O-OG 2.96Å; E347-S379 VanDerWaalsContact OE1-O 3.08Å; E347-S379 PolarHBondContact OE1-OG 3.46Å; V375-S379 PolarHBondContact O-N 3.05Å; Q376-S379 WeakPolarHBondContact O-CB 3.39Å; Q376-S379 PolarHBondContact O-N 3.25Å; S379-I381 PolarHBondContact O-N 3.37Å; S379-V382 PolarHBondContact O-N 2.91Å; S379-S383 WeakPolarHBondContact O-CB 3.33Å; S379-S383 PolarHBondContact O-N 3.29Å; S379-S383 PolarHBondContact O-OG 3.39Å |
| 380 | T | 98.2 | Very high | 98.1 | Very high | 35 Ų | 35 | 17 Ų | 17 | 22% | 0.215 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 179.3 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | E347 Q376 H377 V378 S383 F384 | E347-T380 WeakPolarHBondContact OE1-CA 3.46Å; E347-T380 PolarHBondContact OE1-N 2.87Å; Q376-T380 PolarHBondContact O-N 2.92Å; Q376-T380 PolarHBondContact O-OG1 3.17Å; H377-T380 WeakPolarHBondContact O-CB 3.42Å; H377-T380 PolarHBondContact O-N 3.39Å; V378-T380 VanDerWaalsContact C-N 3.27Å; V378-T380 PolarHBondContact O-N 3.02Å; T380-S383 PolarHBondContact O-OG 3.14Å; T380-F384 WeakPolarHBondContact O-CB 3.48Å; T380-F384 PolarHBondContact O-N 3.44Å |
| 381 | I | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 13.3 Ų | 13.3 | 4% | 0.041 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.4 | -44.3 | 179.9 | -69 | 171.8 | 0 | 0 | 0 | 110.8 | V22 D23 L26 M29 R30 H377 V378 S379 F384 R385 | V22-I381 HydrophobicContact CG1-CD1 3.82Å; D23-I381 WeakPolarHBondContact OD1-CD1 3.37Å; L26-I381 HydrophobicContact CB-CD1 4.1Å; L26-I381 HydrophobicContact CB-CG2 4.07Å; L26-I381 HydrophobicContact CD1-CB 4.13Å; L26-I381 HydrophobicContact CD1-CD1 4.02Å; L26-I381 HydrophobicContact CD1-CG2 4.03Å; M29-I381 HydrophobicContact CB-CG2 3.72Å; R30-I381 HydrophobicContact CG-CD1 4.48Å; R30-I381 HydrophobicContact CG-CG2 4.11Å; H377-I381 WeakPolarHBondContact O-CG1 3.24Å; H377-I381 PolarHBondContact O-N 2.88Å; V378-I381 PolarHBondContact O-N 3.47Å; S379-I381 PolarHBondContact O-N 3.37Å; I381-F384 PolarHBondContact O-N 3.27Å; I381-R385 WeakPolarHBondContact O-CB 3.31Å; I381-R385 PolarHBondContact O-N 2.84Å |
| 382 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.4 | -49 | -179.4 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | M29 L306 L309 V310 V378 S379 F384 R385 S386 | M29-V382 HydrophobicContact SD-CG2 4.08Å; L306-V382 HydrophobicContact CD2-CG1 3.97Å; L309-V382 HydrophobicContact CB-CG1 3.86Å; L309-V382 HydrophobicContact CD1-CG1 4.24Å; V310-V382 HydrophobicContact CG2-CB 3.86Å; V310-V382 HydrophobicContact CG2-CG1 3.96Å; V310-V382 HydrophobicContact CG2-CG2 3.98Å; V378-V382 HydrophobicContact CG1-CG2 4.47Å; V378-V382 WeakPolarHBondContact O-CG2 3.46Å; V378-V382 PolarHBondContact O-N 3.05Å; S379-V382 PolarHBondContact O-N 2.91Å; V382-F384 PolarHBondContact O-N 3.26Å; V382-R385 PolarHBondContact O-N 3.18Å; V382-S386 PolarHBondContact O-N 3.2Å; V382-S386 VanDerWaalsContact O-N 3.11Å |
| 383 | S | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.7 | -34.4 | 179.6 | 75.1 | 0 | 0 | 0 | 0 | 112.1 | E347 S379 T380 S386 S387 R430 | E347-S383 VanDerWaalsContact CD-OG 3.29Å; E347-S383 VanDerWaalsContact OE1-CB 3.32Å; E347-S383 WeakPolarHBondContact OE1-CB 3.5Å; E347-S383 PolarHBondContact OE1-OG 3.11Å; E347-S383 PolarHBondContact OE2-OG 3.48Å; S379-S383 WeakPolarHBondContact O-CB 3.33Å; S379-S383 PolarHBondContact O-N 3.29Å; S379-S383 PolarHBondContact O-OG 3.39Å; T380-S383 PolarHBondContact O-OG 3.14Å; S383-S386 PolarHBondContact O-N 2.88Å; S383-S387 PolarHBondContact O-N 2.74Å; S383-R430 PolarHBondContact OG-NH1 2.87Å |
| 384 | F | 98.3 | Very high | 98.4 | Very high | 77 Ų | 77 | 10.3 Ų | 10.3 | 34% | 0.338 | 5% | 0.051 | S | C | . | . | H | α-helix | trans | -69.8 | -42.3 | 176.4 | -170.5 | -138.9 | 0 | 0 | 0 | 112 | T380 I381 V382 S386 S387 N388 R430 | T380-F384 WeakPolarHBondContact O-CB 3.48Å; T380-F384 PolarHBondContact O-N 3.44Å; I381-F384 PolarHBondContact O-N 3.27Å; V382-F384 PolarHBondContact O-N 3.26Å; F384-S386 VanDerWaalsContact C-N 3.3Å; F384-S386 PolarHBondContact O-N 3.36Å; F384-S387 WeakPolarHBondContact CD2-OG 3.38Å; F384-S387 PolarHBondContact O-N 3.22Å; F384-S387 PolarHBondContact O-OG 3.25Å; F384-N388 WeakPolarHBondContact CE2-OD1 3.46Å; F384-N388 VanDerWaalsContact O-CG 3.28Å; F384-N388 PolarHBondContact O-N 3.24Å; F384-N388 PolarHBondContact O-OD1 3.41Å; F384-R430 HydrophobicContact CD2-CB 3.83Å; F384-R430 VanDerWaalsContact CD2-CD 3.5Å; F384-R430 HydrophobicContact CD2-CG 3.7Å; F384-R430 HydrophobicContact CE2-CB 3.85Å; F384-R430 HydrophobicContact CE2-CG 3.78Å |
| 385 | R | 98.5 | Very high | 98.5 | Very high | 4 Ų | 4 | 10.5 Ų | 10.5 | 2% | 0.015 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -54.9 | -48.3 | 172.2 | -175.2 | -178.3 | 69.3 | 160.5 | 1.4 | 110.9 | M29 L31 D282 I381 V382 S387 N388 L389 | M29-R385 WeakPolarHBondContact O-CB 3.4Å; M29-R385 WeakPolarHBondContact O-CD 3.24Å; M29-R385 WeakPolarHBondContact O-CG 3.39Å; L31-R385 HydrophobicContact CD1-CG 4.08Å; L31-R385 HydrophobicContact CG-CG 4.37Å; D282-R385 IonicContact OD1-CZ 3.4Å; D282-R385 IonicContact OD1-NH1 2.68Å; D282-R385 PolarHBondContact OD1-NH1 3.22Å; D282-R385 IonicContact OD1-NH2 3.77Å; D282-R385 PolarHBondContact OD1-NH2 2.84Å; D282-R385 IonicContact OD2-CZ 3.21Å; D282-R385 IonicContact OD2-NH1 3.1Å; D282-R385 PolarHBondContact OD2-NH1 3.13Å; D282-R385 IonicContact OD2-NH2 2.71Å; I381-R385 WeakPolarHBondContact O-CB 3.31Å; I381-R385 PolarHBondContact O-N 2.84Å; V382-R385 PolarHBondContact O-N 3.18Å; R385-S387 PolarHBondContact O-N 3.15Å; R385-N388 WeakPolarHBondContact O-CB 3.41Å; R385-N388 PolarHBondContact O-N 3.27Å; R385-N388 VanDerWaalsContact O-N 3.15Å; R385-L389 HydrophobicContact CG-CD1 4.13Å; R385-L389 HydrophobicContact CG-CG 4.42Å; R385-L389 WeakPolarHBondContact O-CG 3.19Å; R385-L389 PolarHBondContact O-N 3.38Å |
| 386 | S | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -56.1 | -48.9 | 176.3 | 165.5 | 0 | 0 | 0 | 0 | 112.1 | V301 V382 S383 F384 N388 L389 V390 Y427 | V301-S386 VanDerWaalsContact CA-OG 3.31Å; V301-S386 WeakPolarHBondContact CA-OG 3.41Å; V301-S386 PolarHBondContact O-OG 2.97Å; V382-S386 PolarHBondContact O-N 3.2Å; V382-S386 VanDerWaalsContact O-N 3.11Å; S383-S386 PolarHBondContact O-N 2.88Å; F384-S386 VanDerWaalsContact C-N 3.3Å; F384-S386 PolarHBondContact O-N 3.36Å; S386-N388 VanDerWaalsContact C-N 3.3Å; S386-N388 PolarHBondContact O-N 3.32Å; S386-L389 PolarHBondContact O-N 2.91Å; S386-V390 PolarHBondContact O-N 3.4Å; S386-V390 VanDerWaalsContact O-N 3.07Å; S386-Y427 PolarHBondContact O-OH 3.32Å; S386-Y427 WeakPolarHBondContact OG-CE2 3.3Å; S386-Y427 PolarHBondContact OG-OH 2.7Å |
| 387 | S | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -63.2 | -33 | 176.9 | 72.9 | 0 | 0 | 0 | 0 | 113.8 | S383 F384 R385 A391 Y427 | S383-S387 PolarHBondContact O-N 2.74Å; F384-S387 WeakPolarHBondContact CD2-OG 3.38Å; F384-S387 PolarHBondContact O-N 3.22Å; F384-S387 PolarHBondContact O-OG 3.25Å; R385-S387 PolarHBondContact O-N 3.15Å; S387-A391 WeakPolarHBondContact O-CB 3.41Å; S387-A391 PolarHBondContact O-N 3.36Å; S387-Y427 PolarHBondContact N-OH 3Å |
| 388 | N | 98.6 | Very high | 98.5 | Very high | 4 Ų | 4 | 6.8 Ų | 6.8 | 2% | 0.021 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -71.6 | -40.6 | 176.9 | -71.2 | -6.8 | 0 | 0 | 0 | 111.8 | L36 F384 R385 S386 A391 A392 V434 | L36-N388 HydrophobicContact CD1-CB 3.95Å; L36-N388 HydrophobicContact CD2-CB 3.8Å; F384-N388 WeakPolarHBondContact CE2-OD1 3.46Å; F384-N388 VanDerWaalsContact O-CG 3.28Å; F384-N388 PolarHBondContact O-N 3.24Å; F384-N388 PolarHBondContact O-OD1 3.41Å; R385-N388 WeakPolarHBondContact O-CB 3.41Å; R385-N388 PolarHBondContact O-N 3.27Å; R385-N388 VanDerWaalsContact O-N 3.15Å; S386-N388 VanDerWaalsContact C-N 3.3Å; S386-N388 PolarHBondContact O-N 3.32Å; N388-A391 WeakPolarHBondContact O-CB 3.33Å; N388-A391 PolarHBondContact O-N 3.44Å; N388-A392 PolarHBondContact O-N 3.19Å; N388-V434 VanDerWaalsContact OD1-CG2 3.29Å; N388-V434 WeakPolarHBondContact OD1-CG2 3.37Å |
| 389 | L | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 7.8 Ų | 7.8 | 2% | 0.016 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63.2 | -46 | 176.5 | -73.3 | 173.9 | 0 | 0 | 0 | 111.2 | L31 I39 F297 M300 V301 R385 S386 A391 A392 G393 | L31-L389 HydrophobicContact CD1-CD2 3.6Å; L31-L389 HydrophobicContact CD1-CG 3.93Å; I39-L389 HydrophobicContact CD1-CD2 3.8Å; F297-L389 HydrophobicContact CE2-CB 3.81Å; F297-L389 HydrophobicContact CE2-CD2 4.34Å; F297-L389 HydrophobicContact CZ-CB 4.13Å; F297-L389 WeakPolarHBondContact CZ-O 3.41Å; M300-L389 HydrophobicContact CB-CD1 3.78Å; M300-L389 HydrophobicContact SD-CD1 4.4Å; V301-L389 HydrophobicContact CG2-CB 3.82Å; V301-L389 HydrophobicContact CG2-CD1 4.08Å; R385-L389 HydrophobicContact CG-CD1 4.13Å; R385-L389 HydrophobicContact CG-CG 4.42Å; R385-L389 WeakPolarHBondContact O-CG 3.19Å; R385-L389 PolarHBondContact O-N 3.38Å; S386-L389 PolarHBondContact O-N 2.91Å; L389-A391 VanDerWaalsContact C-N 3.27Å; L389-A391 PolarHBondContact O-N 3.36Å; L389-A392 PolarHBondContact O-N 3.45Å; L389-A392 VanDerWaalsContact O-N 3.17Å; L389-G393 PolarHBondContact O-N 3.35Å; L389-G393 VanDerWaalsContact O-N 3.08Å |
| 390 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.3 | -39.6 | 172.8 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | L232 I234 W265 V301 S386 A392 G393 L394 Y427 L431 | L232-V390 HydrophobicContact CD1-CG1 4.22Å; L232-V390 HydrophobicContact CD2-CG1 4.36Å; I234-V390 HydrophobicContact CD1-CG1 3.83Å; I234-V390 HydrophobicContact CG1-CG1 4.36Å; W265-V390 HydrophobicContact CH2-CG1 4.11Å; W265-V390 HydrophobicContact CZ2-CG1 4.18Å; V301-V390 HydrophobicContact CB-CG2 4.41Å; V301-V390 HydrophobicContact CG1-CG2 3.23Å; V301-V390 HydrophobicContact CG2-CG2 4.27Å; S386-V390 PolarHBondContact O-N 3.4Å; S386-V390 VanDerWaalsContact O-N 3.07Å; V390-A392 VanDerWaalsContact C-N 3.34Å; V390-A392 PolarHBondContact O-N 2.99Å; V390-G393 PolarHBondContact O-N 2.98Å; V390-L394 WeakPolarHBondContact O-CB 3.35Å; V390-L394 PolarHBondContact O-N 3.23Å; V390-Y427 WeakPolarHBondContact CG2-OH 3.35Å; V390-L431 HydrophobicContact CB-CD1 4.16Å; V390-L431 HydrophobicContact CG1-CD1 3.91Å; V390-L431 HydrophobicContact CG1-CD2 4.27Å |
| 391 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -60 | -44.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S387 N388 L389 L394 V395 L431 V434 V435 | S387-A391 WeakPolarHBondContact O-CB 3.41Å; S387-A391 PolarHBondContact O-N 3.36Å; N388-A391 WeakPolarHBondContact O-CB 3.33Å; N388-A391 PolarHBondContact O-N 3.44Å; L389-A391 VanDerWaalsContact C-N 3.27Å; L389-A391 PolarHBondContact O-N 3.36Å; A391-L394 PolarHBondContact O-N 2.89Å; A391-V395 WeakPolarHBondContact O-CB 3.35Å; A391-V395 WeakPolarHBondContact O-CG2 3.45Å; A391-V395 PolarHBondContact O-N 3.38Å; A391-L431 HydrophobicContact CB-CD1 3.71Å; A391-V434 HydrophobicContact CB-CB 3.74Å; A391-V434 HydrophobicContact CB-CG1 3.44Å; A391-V434 VanDerWaalsContact CB-CG1 3.44Å; A391-V435 HydrophobicContact CB-CG2 3.87Å |
| 392 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L36 I39 S40 N388 L389 V390 V395 A396 | L36-A392 HydrophobicContact CB-CB 4.38Å; L36-A392 HydrophobicContact CD2-CB 4.38Å; L36-A392 WeakPolarHBondContact O-CB 3.5Å; I39-A392 HydrophobicContact CB-CB 4.21Å; I39-A392 HydrophobicContact CG2-CB 3.89Å; S40-A392 VanDerWaalsContact CB-O 3.29Å; S40-A392 WeakPolarHBondContact CB-O 3.43Å; S40-A392 PolarHBondContact OG-O 2.95Å; N388-A392 PolarHBondContact O-N 3.19Å; L389-A392 PolarHBondContact O-N 3.45Å; L389-A392 VanDerWaalsContact O-N 3.17Å; V390-A392 VanDerWaalsContact C-N 3.34Å; V390-A392 PolarHBondContact O-N 2.99Å; A392-V395 PolarHBondContact O-N 3.48Å; A392-A396 PolarHBondContact O-N 3.28Å; A392-A396 VanDerWaalsContact O-N 3.16Å |
| 393 | G | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L389 V390 V395 A396 V397 | L389-G393 PolarHBondContact O-N 3.35Å; L389-G393 VanDerWaalsContact O-N 3.08Å; V390-G393 PolarHBondContact O-N 2.98Å; G393-V395 PolarHBondContact O-N 3.46Å; G393-A396 WeakPolarHBondContact O-CB 3.48Å; G393-A396 PolarHBondContact O-N 3.26Å; G393-V397 PolarHBondContact O-N 2.86Å |
| 394 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.6 | -38.6 | 176.9 | -178.7 | 60.1 | 0 | 0 | 0 | 112.1 | V230 L232 V390 A391 A396 V397 L398 V414 V435 F446 | V230-L394 HydrophobicContact CG1-CD1 3.94Å; L232-L394 HydrophobicContact CD2-CD2 4.24Å; V390-L394 WeakPolarHBondContact O-CB 3.35Å; V390-L394 PolarHBondContact O-N 3.23Å; A391-L394 PolarHBondContact O-N 2.89Å; L394-A396 PolarHBondContact O-N 2.96Å; L394-V397 PolarHBondContact O-N 2.89Å; L394-L398 HydrophobicContact CD1-CD1 4.33Å; L394-L398 HydrophobicContact CD1-CD2 4.49Å; L394-L398 HydrophobicContact CD1-CG 4.09Å; L394-L398 HydrophobicContact CG-CD1 4.02Å; L394-L398 HydrophobicContact CG-CG 4.23Å; L394-L398 WeakPolarHBondContact O-CB 3.44Å; L394-L398 VanDerWaalsContact O-CG 3.27Å; L394-L398 WeakPolarHBondContact O-CG 3.44Å; L394-L398 PolarHBondContact O-N 3.44Å; L394-V414 HydrophobicContact CD1-CG1 4.39Å; L394-V414 HydrophobicContact CD1-CG2 4.22Å; L394-V414 HydrophobicContact CD2-CG1 4.45Å; L394-V414 HydrophobicContact CD2-CG2 4.38Å; L394-V435 HydrophobicContact CD2-CG2 4.06Å; L394-F446 HydrophobicContact CD2-CE1 3.58Å; L394-F446 HydrophobicContact CD2-CZ 3.83Å |
| 395 | V | 98.7 | Very high | 97.2 | Very high | 9 Ų | 9 | 15 Ų | 15 | 6% | 0.055 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59 | -37.5 | 175.2 | 164.3 | 0 | 0 | 0 | 0 | 111.1 | S40 A391 A392 G393 T399 L438 L439 | S40-V395 WeakPolarHBondContact OG-CG1 3.41Å; A391-V395 WeakPolarHBondContact O-CB 3.35Å; A391-V395 WeakPolarHBondContact O-CG2 3.45Å; A391-V395 PolarHBondContact O-N 3.38Å; A392-V395 PolarHBondContact O-N 3.48Å; G393-V395 PolarHBondContact O-N 3.46Å; V395-T399 VanDerWaalsContact O-CB 3.23Å; V395-T399 WeakPolarHBondContact O-CB 3.36Å; V395-T399 PolarHBondContact O-N 2.99Å; V395-T399 PolarHBondContact O-OG1 3.49Å; V395-L438 HydrophobicContact CG1-CB 4.38Å; V395-L438 HydrophobicContact CG2-CB 3.89Å; V395-L438 HydrophobicContact CG2-CD1 4.17Å; V395-L439 HydrophobicContact CB-CD1 4.14Å; V395-L439 HydrophobicContact CB-CG 4.43Å; V395-L439 HydrophobicContact CG1-CD1 3.98Å; V395-L439 HydrophobicContact CG1-CD2 4.15Å; V395-L439 HydrophobicContact CG1-CG 3.88Å; V395-L439 HydrophobicContact CG2-CD1 3.96Å; V395-L439 HydrophobicContact CG2-CG 4.1Å |
| 396 | A | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.3 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S40 F43 L44 M47 A392 G393 L394 L398 T399 R400 | S40-A396 VanDerWaalsContact O-CB 3.3Å; S40-A396 WeakPolarHBondContact O-CB 3.38Å; S40-A396 WeakPolarHBondContact OG-CA 3.3Å; S40-A396 WeakPolarHBondContact OG-CB 3.49Å; S40-A396 PolarHBondContact OG-N 3.48Å; S40-A396 VanDerWaalsContact OG-N 3.12Å; F43-A396 HydrophobicContact CB-CB 4.14Å; F43-A396 HydrophobicContact CD1-CB 3.58Å; F43-A396 HydrophobicContact CG-CB 4.32Å; L44-A396 HydrophobicContact CB-CB 4.24Å; M47-A396 HydrophobicContact SD-CB 4.45Å; A392-A396 PolarHBondContact O-N 3.28Å; A392-A396 VanDerWaalsContact O-N 3.16Å; G393-A396 WeakPolarHBondContact O-CB 3.48Å; G393-A396 PolarHBondContact O-N 3.26Å; L394-A396 PolarHBondContact O-N 2.96Å; A396-L398 PolarHBondContact O-N 3.04Å; A396-T399 PolarHBondContact O-N 3.19Å; A396-R400 WeakPolarHBondContact O-CB 3.3Å; A396-R400 PolarHBondContact O-N 3.34Å |
| 397 | V | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.1 | -48.2 | 174.9 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | F43 M47 V230 Y242 G393 L394 T399 R400 I401 | F43-V397 HydrophobicContact CE1-CG2 4.1Å; M47-V397 HydrophobicContact CE-CG2 4.04Å; M47-V397 HydrophobicContact SD-CG2 4.15Å; V230-V397 HydrophobicContact CG1-CG1 4.44Å; V230-V397 HydrophobicContact CG2-CG1 4.14Å; Y242-V397 HydrophobicContact CD1-CG1 3.9Å; Y242-V397 HydrophobicContact CD2-CG1 4.26Å; Y242-V397 HydrophobicContact CG-CG1 3.67Å; G393-V397 PolarHBondContact O-N 2.86Å; L394-V397 PolarHBondContact O-N 2.89Å; V397-T399 VanDerWaalsContact C-N 3.34Å; V397-T399 PolarHBondContact O-N 2.92Å; V397-R400 WeakPolarHBondContact O-CB 3.5Å; V397-R400 PolarHBondContact O-N 3.35Å; V397-I401 HydrophobicContact CG1-CD1 4.11Å; V397-I401 WeakPolarHBondContact O-CG1 3.33Å; V397-I401 PolarHBondContact O-N 3.35Å |
| 398 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.3 | -37.1 | 179.4 | -65.4 | 178.5 | 0 | 0 | 0 | 112.1 | V230 L394 A396 I401 R402 L410 I412 V414 V435 L439 V444 | V230-L398 HydrophobicContact CG2-CD2 4.18Å; L394-L398 HydrophobicContact CD1-CD1 4.33Å; L394-L398 HydrophobicContact CD1-CD2 4.49Å; L394-L398 HydrophobicContact CD1-CG 4.09Å; L394-L398 HydrophobicContact CG-CD1 4.02Å; L394-L398 HydrophobicContact CG-CG 4.23Å; L394-L398 WeakPolarHBondContact O-CB 3.44Å; L394-L398 VanDerWaalsContact O-CG 3.27Å; L394-L398 WeakPolarHBondContact O-CG 3.44Å; L394-L398 PolarHBondContact O-N 3.44Å; A396-L398 PolarHBondContact O-N 3.04Å; L398-I401 PolarHBondContact O-N 3.35Å; L398-R402 WeakPolarHBondContact O-CB 3.47Å; L398-R402 PolarHBondContact O-N 2.87Å; L398-L410 HydrophobicContact CD2-CD2 4.4Å; L398-I412 HydrophobicContact CD2-CD1 3.97Å; L398-I412 HydrophobicContact CD2-CG2 3.76Å; L398-V414 HydrophobicContact CD2-CG2 4.46Å; L398-V435 HydrophobicContact CD1-CG1 4.04Å; L398-L439 HydrophobicContact CB-CD1 3.67Å; L398-L439 HydrophobicContact CD1-CD1 3.93Å; L398-L439 HydrophobicContact CG-CD1 4.46Å; L398-V444 HydrophobicContact CD1-CG1 4.18Å; L398-V444 HydrophobicContact CD1-CG2 3.67Å |
| 399 | T | 98.2 | Very high | 95.7 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 14% | 0.135 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 174.1 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | L44 V395 A396 V397 R402 Q403 | L44-T399 HydrophobicContact CD2-CG2 4.38Å; V395-T399 VanDerWaalsContact O-CB 3.23Å; V395-T399 WeakPolarHBondContact O-CB 3.36Å; V395-T399 PolarHBondContact O-N 2.99Å; V395-T399 PolarHBondContact O-OG1 3.49Å; A396-T399 PolarHBondContact O-N 3.19Å; V397-T399 VanDerWaalsContact C-N 3.34Å; V397-T399 PolarHBondContact O-N 2.92Å; T399-R402 PolarHBondContact O-N 3.19Å; T399-Q403 HydrophobicContact CG2-CG 4.35Å; T399-Q403 WeakPolarHBondContact O-CB 3.46Å; T399-Q403 VanDerWaalsContact O-CG 3.28Å; T399-Q403 WeakPolarHBondContact O-CG 3.42Å; T399-Q403 PolarHBondContact O-N 2.98Å |
| 400 | R | 97.4 | Very high | 95.5 | Very high | 27 Ų | 27 | 38.6 Ų | 38.6 | 10% | 0.102 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.9 | -51.9 | 175.1 | 178.5 | 59.3 | 171.7 | -178.8 | -5.9 | 111.3 | L44 M47 Y242 E244 A396 V397 R402 Q403 N404 | L44-R400 HydrophobicContact CD1-CB 3.78Å; L44-R400 HydrophobicContact CD1-CG 4.43Å; M47-R400 HydrophobicContact CE-CB 4.08Å; M47-R400 HydrophobicContact CE-CG 4.03Å; Y242-R400 HydrophobicContact CE2-CG 4.22Å; E244-R400 IonicContact OE2-CZ 3.13Å; E244-R400 IonicContact OE2-NE 3.3Å; E244-R400 PolarHBondContact OE2-NE 3.37Å; E244-R400 IonicContact OE2-NH2 3.51Å; A396-R400 WeakPolarHBondContact O-CB 3.3Å; A396-R400 PolarHBondContact O-N 3.34Å; V397-R400 WeakPolarHBondContact O-CB 3.5Å; V397-R400 PolarHBondContact O-N 3.35Å; R400-R402 VanDerWaalsContact C-N 3.32Å; R400-R402 PolarHBondContact O-N 3.29Å; R400-Q403 PolarHBondContact O-N 3.42Å; R400-N404 PolarHBondContact NE-OD1 2.89Å; R400-N404 WeakPolarHBondContact O-CB 3.31Å; R400-N404 PolarHBondContact O-N 3.24Å; R400-N404 PolarHBondContact O-ND2 3.48Å; R400-N404 PolarHBondContact O-OD1 3.39Å |
| 401 | I | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 178.7 | -65.1 | 166.2 | 0 | 0 | 0 | 111.1 | V230 Y242 V397 L398 Q403 N404 R405 L410 I412 | V230-I401 HydrophobicContact CG2-CD1 3.79Å; Y242-I401 HydrophobicContact CD2-CD1 3.95Å; Y242-I401 HydrophobicContact CD2-CG1 3.72Å; Y242-I401 HydrophobicContact CE2-CG1 4.29Å; Y242-I401 HydrophobicContact CG-CD1 4.4Å; V397-I401 HydrophobicContact CG1-CD1 4.11Å; V397-I401 WeakPolarHBondContact O-CG1 3.33Å; V397-I401 PolarHBondContact O-N 3.35Å; L398-I401 PolarHBondContact O-N 3.35Å; I401-Q403 PolarHBondContact O-N 3.26Å; I401-N404 PolarHBondContact O-N 3.24Å; I401-R405 WeakPolarHBondContact O-CG 3.28Å; I401-R405 PolarHBondContact O-N 2.89Å; I401-L410 HydrophobicContact CB-CD2 4.26Å; I401-L410 HydrophobicContact CG2-CD1 4.09Å; I401-L410 HydrophobicContact CG2-CD2 4.07Å; I401-I412 HydrophobicContact CD1-CD1 3.67Å; I401-I412 HydrophobicContact CG2-CD1 4.23Å |
| 402 | R | 96.3 | Very high | 95.4 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.2 | -173.5 | -179.3 | 68.4 | 93 | -3.2 | 112 | L398 T399 R400 R405 N406 L407 R408 L410 | L398-R402 WeakPolarHBondContact O-CB 3.47Å; L398-R402 PolarHBondContact O-N 2.87Å; T399-R402 PolarHBondContact O-N 3.19Å; R400-R402 VanDerWaalsContact C-N 3.32Å; R400-R402 PolarHBondContact O-N 3.29Å; R402-R405 PolarHBondContact O-N 3.14Å; R402-N406 PolarHBondContact O-N 3.02Å; R402-L407 HydrophobicContact CG-CB 4.25Å; R402-L407 VanDerWaalsContact CG-O 3.24Å; R402-L407 WeakPolarHBondContact CG-O 3.28Å; R402-L407 PolarHBondContact NH1-O 2.8Å; R402-L407 PolarHBondContact O-N 3.46Å; R402-L407 VanDerWaalsContact O-N 3.11Å; R402-R408 PolarHBondContact NH1-O 2.89Å; R402-L410 HydrophobicContact CB-CB 4.29Å; R402-L410 HydrophobicContact CB-CD2 4.27Å; R402-L410 HydrophobicContact CG-CB 4.3Å |
| 403 | Q | 94.9 | Very high | 95.4 | Very high | 90 Ų | 90 | 46 Ų | 46 | 42% | 0.421 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 178.5 | -75.1 | 175 | -6.7 | 0 | 0 | 111.9 | T399 R400 I401 R405 N406 | T399-Q403 HydrophobicContact CG2-CG 4.35Å; T399-Q403 WeakPolarHBondContact O-CB 3.46Å; T399-Q403 VanDerWaalsContact O-CG 3.28Å; T399-Q403 WeakPolarHBondContact O-CG 3.42Å; T399-Q403 PolarHBondContact O-N 2.98Å; R400-Q403 PolarHBondContact O-N 3.42Å; I401-Q403 PolarHBondContact O-N 3.26Å; Q403-R405 PolarHBondContact O-N 3.01Å; Q403-N406 PolarHBondContact O-N 3.35Å |
| 404 | N | 90.2 | Very high | 95.4 | Very high | 18 Ų | 18 | 46 Ų | 46 | 10% | 0.096 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.4 | -34.2 | 179.2 | -69.1 | -15.6 | 0 | 0 | 0 | 112.7 | E244 E245 R247 H248 R400 I401 | E244-N404 PolarHBondContact OE1-ND2 2.65Å; E244-N404 PolarHBondContact OE2-ND2 3.34Å; E245-N404 HydrophobicContact CG-CB 4.1Å; R247-N404 PolarHBondContact NH2-O 2.93Å; H248-N404 PolarHBondContact CE1-OD1 3.12Å; H248-N404 VanDerWaalsContact CE1-OD1 3.24Å; H248-N404 PolarHBondContact ND1-OD1 3.41Å; R400-N404 PolarHBondContact NE-OD1 2.89Å; R400-N404 WeakPolarHBondContact O-CB 3.31Å; R400-N404 PolarHBondContact O-N 3.24Å; R400-N404 PolarHBondContact O-ND2 3.48Å; R400-N404 PolarHBondContact O-OD1 3.39Å; I401-N404 PolarHBondContact O-N 3.24Å |
| 405 | R | 86.6 | Confident | 95.3 | Very high | 68 Ų | 68 | 46 Ų | 46 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -1 | 179.7 | -62 | 178.5 | -173.2 | 174.5 | 7.1 | 113.8 | E229 I401 R402 Q403 L407 | E229-R405 IonicContact OE1-CZ 3.36Å; E229-R405 IonicContact OE1-NH1 2.88Å; E229-R405 IonicContact OE1-NH2 3.19Å; E229-R405 PolarHBondContact OE1-NH2 2.68Å; E229-R405 IonicContact OE2-CZ 3.52Å; E229-R405 IonicContact OE2-NH1 3.2Å; E229-R405 PolarHBondContact OE2-NH1 3.25Å; E229-R405 IonicContact OE2-NH2 2.64Å; E229-R405 PolarHBondContact OE2-NH2 2.78Å; I401-R405 WeakPolarHBondContact O-CG 3.28Å; I401-R405 PolarHBondContact O-N 2.89Å; R402-R405 PolarHBondContact O-N 3.14Å; Q403-R405 PolarHBondContact O-N 3.01Å; R405-L407 VanDerWaalsContact C-N 3.25Å; R405-L407 HydrophobicContact CB-CD1 3.65Å; R405-L407 HydrophobicContact CB-CG 3.6Å; R405-L407 HydrophobicContact CG-CD1 4.44Å; R405-L407 PolarHBondContact O-N 3.31Å |
| 406 | N | 90 | Very high | 95.2 | Very high | 154 Ų | 154 | 45.5 Ų | 45.5 | 82% | 0.824 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 43.1 | -175.8 | -165.3 | 28.3 | 0 | 0 | 0 | 113.1 | R402 Q403 | R402-N406 PolarHBondContact O-N 3.02Å; Q403-N406 PolarHBondContact O-N 3.35Å |
| 407 | L | 89.9 | Confident | 95.1 | Very high | 73 Ų | 73 | 46.4 Ų | 46.4 | 38% | 0.382 | 21% | 0.213 | S | C | . | . | trans | -98.1 | 143.2 | -176.2 | -62.5 | 174.5 | 0 | 0 | 0 | 112.1 | R402 R405 G409 L410 | R402-L407 HydrophobicContact CG-CB 4.25Å; R402-L407 VanDerWaalsContact CG-O 3.24Å; R402-L407 WeakPolarHBondContact CG-O 3.28Å; R402-L407 PolarHBondContact NH1-O 2.8Å; R402-L407 PolarHBondContact O-N 3.46Å; R402-L407 VanDerWaalsContact O-N 3.11Å; R405-L407 VanDerWaalsContact C-N 3.25Å; R405-L407 HydrophobicContact CB-CD1 3.65Å; R405-L407 HydrophobicContact CB-CG 3.6Å; R405-L407 HydrophobicContact CG-CD1 4.44Å; R405-L407 PolarHBondContact O-N 3.31Å; L407-G409 WeakPolarHBondContact CB-O 3.11Å; L407-L410 HydrophobicContact CD1-CD1 4.22Å | ||
| 408 | R | 90.4 | Very high | 94.8 | Very high | 236 Ų | 236 | 46.9 Ų | 46.9 | 89% | 0.891 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -69.7 | -48.3 | 172 | -69.3 | -173.6 | 179.6 | -175.8 | 0.2 | 111.6 | R402 | R402-R408 PolarHBondContact NH1-O 2.89Š|
| 409 | G | 92.3 | Very high | 94.5 | Very high | 37 Ų | 37 | 50.1 Ų | 50.1 | 38% | 0.381 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -126.7 | 159.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L407 D441 | L407-G409 WeakPolarHBondContact CB-O 3.11Å; G409-D441 WeakPolarHBondContact CA-O 3.28Å |
| 410 | L | 94.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.3 | -175.8 | 179.3 | 66.5 | 0 | 0 | 0 | 110.4 | L398 I401 R402 L407 I412 D441 C442 Q443 | L398-L410 HydrophobicContact CD2-CD2 4.4Å; I401-L410 HydrophobicContact CB-CD2 4.26Å; I401-L410 HydrophobicContact CG2-CD1 4.09Å; I401-L410 HydrophobicContact CG2-CD2 4.07Å; R402-L410 HydrophobicContact CB-CB 4.29Å; R402-L410 HydrophobicContact CB-CD2 4.27Å; R402-L410 HydrophobicContact CG-CB 4.3Å; L407-L410 HydrophobicContact CD1-CD1 4.22Å; L410-I412 HydrophobicContact CD1-CB 4.5Å; L410-I412 HydrophobicContact CD2-CB 4.27Å; L410-I412 HydrophobicContact CD2-CD1 4.14Å; L410-I412 HydrophobicContact CD2-CG2 3.9Å; L410-I412 HydrophobicContact CG-CB 4.07Å; L410-I412 HydrophobicContact CG-CG2 3.97Å; L410-D441 PolarHBondContact N-O 3.33Å; L410-C442 HydrophobicContact CB-CB 4.37Å; L410-C442 CarbonylContact O-C 3.56Å; L410-C442 VanDerWaalsContact O-CA 3.25Å; L410-C442 WeakPolarHBondContact O-CA 3.35Å; L410-Q443 PolarHBondContact O-N 3.23Å |
| 411 | R | 97 | Very high | 94.3 | Very high | 152 Ų | 152 | 48.8 Ų | 48.8 | 57% | 0.574 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.9 | 166.2 | 176.8 | 176.9 | 169.3 | 167.8 | -1.3 | 108.7 | F227 Q443 | F227-R411 HydrophobicContact CD1-CG 4.25Å; F227-R411 HydrophobicContact CE1-CG 4.4Å; R411-Q443 WeakPolarHBondContact CA-O 3.49Å; R411-Q443 HydrophobicContact CB-CB 4.4Å; R411-Q443 HydrophobicContact CG-CB 4.48Å |
| 412 | I | 97.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 150.7 | -171.7 | -168.9 | 164.3 | 0 | 0 | 0 | 111.3 | E229 V230 L398 I401 L410 Q443 V444 R445 | E229-I412 HydrophobicContact CB-CD1 4.03Å; E229-I412 HydrophobicContact CB-CG1 4.32Å; V230-I412 HydrophobicContact CG2-CD1 4.03Å; L398-I412 HydrophobicContact CD2-CD1 3.97Å; L398-I412 HydrophobicContact CD2-CG2 3.76Å; I401-I412 HydrophobicContact CD1-CD1 3.67Å; I401-I412 HydrophobicContact CG2-CD1 4.23Å; L410-I412 HydrophobicContact CD1-CB 4.5Å; L410-I412 HydrophobicContact CD2-CB 4.27Å; L410-I412 HydrophobicContact CD2-CD1 4.14Å; L410-I412 HydrophobicContact CD2-CG2 3.9Å; L410-I412 HydrophobicContact CG-CB 4.07Å; L410-I412 HydrophobicContact CG-CG2 3.97Å; I412-Q443 PolarHBondContact N-O 3.07Å; I412-Q443 VanDerWaalsContact N-O 3.09Å; I412-V444 HydrophobicContact CG2-CG2 4.29Å; I412-V444 WeakPolarHBondContact O-CA 3.47Å; I412-R445 PolarHBondContact O-N 2.89Å |
| 413 | T | 98.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137.2 | 172 | -67.2 | 0 | 0 | 0 | 0 | 110.2 | D225 F227 C228 E229 R445 V447 | D225-T413 HydrophobicContact CB-CG2 4.33Å; D225-T413 PolarHBondContact OD2-OG1 3.18Å; F227-T413 PolarHBondContact O-N 2.71Å; C228-T413 WeakPolarHBondContact CA-O 3.02Å; C228-T413 HydrophobicContact CB-CG2 4.03Å; E229-T413 PolarHBondContact N-O 2.95Å; T413-R445 CarbonylContact C-O 3.53Å; T413-R445 VanDerWaalsContact CA-O 3.3Å; T413-R445 WeakPolarHBondContact CA-O 3.43Å; T413-V447 HydrophobicContact CG2-CB 3.99Å; T413-V447 HydrophobicContact CG2-CG2 3.49Å; T413-V447 VanDerWaalsContact CG2-CG2 3.49Å |
| 414 | V | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.1 | 172.1 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | V230 L232 L394 L398 V416 V444 R445 F446 V447 | V230-V414 HydrophobicContact CB-CB 4.42Å; V230-V414 HydrophobicContact CB-CG1 4.16Å; V230-V414 HydrophobicContact CB-CG2 4.12Å; V230-V414 HydrophobicContact CG1-CG1 3.96Å; V230-V414 HydrophobicContact CG1-CG2 4.45Å; V230-V414 HydrophobicContact CG2-CG2 4.49Å; L232-V414 HydrophobicContact CB-CG1 3.87Å; L232-V414 HydrophobicContact CD2-CG1 4.13Å; L394-V414 HydrophobicContact CD1-CG1 4.39Å; L394-V414 HydrophobicContact CD1-CG2 4.22Å; L394-V414 HydrophobicContact CD2-CG1 4.45Å; L394-V414 HydrophobicContact CD2-CG2 4.38Å; L398-V414 HydrophobicContact CD2-CG2 4.46Å; V414-V416 HydrophobicContact CG1-CG2 4.02Å; V414-V444 HydrophobicContact CG2-CG1 3.74Å; V414-R445 PolarHBondContact N-O 3.5Å; V414-F446 HydrophobicContact CB-CD1 3.93Å; V414-F446 HydrophobicContact CB-CE1 4.11Å; V414-F446 HydrophobicContact CG1-CD1 4.18Å; V414-F446 HydrophobicContact CG1-CE1 4.22Å; V414-F446 HydrophobicContact CG2-CE1 4.32Å; V414-F446 WeakPolarHBondContact O-CA 3.5Å; V414-V447 PolarHBondContact O-N 3.39Å |
| 415 | G | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 126.1 | 170 | 0 | 0 | 0 | 0 | 0 | 109.7 | C221 V230 G231 L232 V447 | C221-G415 WeakPolarHBondContact SG-CA 3.43Å; V230-G415 PolarHBondContact O-N 3.22Å; G231-G415 CarbonylContact C-O 3.49Å; G231-G415 WeakPolarHBondContact CA-O 3.47Å; L232-G415 PolarHBondContact N-O 2.62Å; G415-V447 CarbonylContact C-O 3.52Å; G415-V447 WeakPolarHBondContact CA-O 3.34Å |
| 416 | V | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138 | -175.7 | -166.6 | 0 | 0 | 0 | 0 | 110.8 | L232 V414 Y421 F446 V447 L448 S449 | L232-V416 HydrophobicContact CB-CG1 4.46Å; L232-V416 HydrophobicContact CB-CG2 4.33Å; L232-V416 HydrophobicContact CD2-CG1 4.34Å; L232-V416 HydrophobicContact CD2-CG2 4.21Å; L232-V416 HydrophobicContact CG-CG1 4.29Å; L232-V416 CarbonylContact O-C 3.43Å; L232-V416 WeakPolarHBondContact O-CA 3.44Å; V414-V416 HydrophobicContact CG1-CG2 4.02Å; V416-Y421 HydrophobicContact CB-CD1 4.26Å; V416-Y421 HydrophobicContact CB-CE1 3.99Å; V416-Y421 HydrophobicContact CG1-CD1 3.62Å; V416-Y421 HydrophobicContact CG1-CD2 3.74Å; V416-Y421 HydrophobicContact CG1-CE1 3.79Å; V416-Y421 HydrophobicContact CG1-CE2 3.9Å; V416-Y421 HydrophobicContact CG1-CG 3.58Å; V416-Y421 HydrophobicContact CG2-CE2 4.49Å; V416-F446 HydrophobicContact CG2-CB 4.47Å; V416-F446 HydrophobicContact CG2-CD1 3.82Å; V416-V447 PolarHBondContact N-O 3.45Å; V416-L448 WeakPolarHBondContact O-CD1 3.46Å; V416-S449 PolarHBondContact O-N 2.93Å |
| 417 | D | 94.9 | Very high | 95.3 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 172.6 | 166.3 | -164.2 | 6.4 | 0 | 0 | 0 | 110.2 | T217 L232 I233 I234 K422 G452 S453 | T217-D417 HydrophobicContact CG2-CB 3.87Å; L232-D417 PolarHBondContact O-N 2.89Å; I233-D417 WeakPolarHBondContact CA-O 3.49Å; I233-D417 HydrophobicContact CD1-CB 3.76Å; I234-D417 PolarHBondContact N-O 3.41Å; D417-K422 WeakPolarHBondContact OD1-CE 3.43Å; D417-K422 IonicContact OD1-NZ 3.71Å; D417-K422 PolarHBondContact OD1-NZ 2.83Å; D417-K422 IonicContact OD2-NZ 2.85Å; D417-G452 WeakPolarHBondContact OD2-CA 3.29Å; D417-S453 PolarHBondContact OD2-N 3.23Å |
| 418 | G | 93.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 40 Ų | 40 | 9% | 0.093 | 20% | 0.199 | C | C | . | . | trans | 120 | 144.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I234 V420 Y421 K422 | I234-G418 CarbonylContact O-C 3.57Å; I234-G418 VanDerWaalsContact O-CA 3.26Å; I234-G418 WeakPolarHBondContact O-CA 3.45Å; G418-V420 PolarHBondContact O-N 3.34Å; G418-Y421 PolarHBondContact O-N 3.33Å; G418-K422 WeakPolarHBondContact O-CB 3.28Å; G418-K422 WeakPolarHBondContact O-CG 3.43Å; G418-K422 PolarHBondContact O-N 3.37Å | ||
| 419 | T | 92.4 | Very high | 96 | Very high | 68 Ų | 68 | 35.8 Ų | 35.8 | 42% | 0.417 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.3 | -38.6 | -170.9 | -28.6 | 0 | 0 | 0 | 0 | 112.5 | I234 K422 T423 | I234-T419 PolarHBondContact O-N 3.46Å; T419-K422 PolarHBondContact O-N 3Å; T419-T423 HydrophobicContact CG2-CG2 4.11Å; T419-T423 WeakPolarHBondContact O-CB 3.48Å; T419-T423 WeakPolarHBondContact O-CG2 3.45Å; T419-T423 PolarHBondContact O-N 3.16Å; T419-T423 PolarHBondContact O-OG1 2.96Å |
| 420 | V | 95.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.7 | -47.4 | -179.2 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | I234 L306 T340 G418 K422 H424 Y427 | I234-V420 HydrophobicContact CG2-CB 4.09Å; I234-V420 HydrophobicContact CG2-CG1 4.31Å; I234-V420 WeakPolarHBondContact O-CB 3.33Å; I234-V420 PolarHBondContact O-N 3.01Å; I234-V420 VanDerWaalsContact O-N 3.12Å; L306-V420 HydrophobicContact CD1-CG1 4.04Å; T340-V420 HydrophobicContact CG2-CG2 4.02Å; G418-V420 PolarHBondContact O-N 3.34Å; V420-K422 VanDerWaalsContact C-N 3.31Å; V420-K422 PolarHBondContact O-N 3.12Å; V420-H424 HydrophobicContact CG1-CB 4.42Å; V420-H424 WeakPolarHBondContact O-CB 3.37Å; V420-H424 PolarHBondContact O-N 3.47Å; V420-Y427 HydrophobicContact CG1-CD2 3.74Å; V420-Y427 HydrophobicContact CG1-CE2 3.86Å; V420-Y427 HydrophobicContact CG1-CG 4.25Å |
| 421 | Y | 96.1 | Very high | 96.5 | Very high | 18 Ų | 18 | 36 Ų | 36 | 7% | 0.071 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 178 | -177.4 | -88.1 | 0 | 0 | 0 | 111.9 | I234 V416 G418 P428 L431 H432 L448 | I234-Y421 HydrophobicContact CD1-CD2 4.05Å; I234-Y421 PolarHBondContact O-N 3.25Å; V416-Y421 HydrophobicContact CB-CD1 4.26Å; V416-Y421 HydrophobicContact CB-CE1 3.99Å; V416-Y421 HydrophobicContact CG1-CD1 3.62Å; V416-Y421 HydrophobicContact CG1-CD2 3.74Å; V416-Y421 HydrophobicContact CG1-CE1 3.79Å; V416-Y421 HydrophobicContact CG1-CE2 3.9Å; V416-Y421 HydrophobicContact CG1-CG 3.58Å; V416-Y421 HydrophobicContact CG2-CE2 4.49Å; G418-Y421 PolarHBondContact O-N 3.33Å; Y421-P428 HydrophobicContact CD1-CG 4.26Å; Y421-P428 HydrophobicContact CD2-CB 4.13Å; Y421-P428 HydrophobicContact CD2-CG 3.86Å; Y421-P428 HydrophobicContact CE1-CB 4.4Å; Y421-P428 HydrophobicContact CE1-CG 4.19Å; Y421-P428 HydrophobicContact CE2-CB 3.57Å; Y421-P428 HydrophobicContact CE2-CG 3.79Å; Y421-P428 HydrophobicContact CG-CG 4.1Å; Y421-P428 WeakPolarHBondContact O-CG 3.21Å; Y421-L431 HydrophobicContact CD2-CD2 4.31Å; Y421-L431 HydrophobicContact CE2-CD2 4.16Å; Y421-H432 AromaticContact CE2-NE2 3.65Å; Y421-H432 AromaticContact CZ-NE2 3.71Å; Y421-H432 PolarHBondContact OH-CE1 3.09Å; Y421-H432 PolarHBondContact OH-NE2 2.93Å; Y421-L448 HydrophobicContact CD1-CD1 3.95Å; Y421-L448 HydrophobicContact CE1-CD1 3.95Å |
| 422 | K | 94.3 | Very high | 96.5 | Very high | 81 Ų | 81 | 30 Ų | 30 | 35% | 0.352 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -70.6 | -42.7 | -180 | -78.1 | 177.2 | 168.8 | 176.3 | 0 | 113.7 | D417 G418 T419 V420 L448 S449 | D417-K422 WeakPolarHBondContact OD1-CE 3.43Å; D417-K422 IonicContact OD1-NZ 3.71Å; D417-K422 PolarHBondContact OD1-NZ 2.83Å; D417-K422 IonicContact OD2-NZ 2.85Å; G418-K422 WeakPolarHBondContact O-CB 3.28Å; G418-K422 WeakPolarHBondContact O-CG 3.43Å; G418-K422 PolarHBondContact O-N 3.37Å; T419-K422 PolarHBondContact O-N 3Å; V420-K422 VanDerWaalsContact C-N 3.31Å; V420-K422 PolarHBondContact O-N 3.12Å; K422-L448 HydrophobicContact CD-CD1 4.29Å; K422-L448 VanDerWaalsContact CE-CD1 3.46Å; K422-L448 HydrophobicContact CG-CD1 3.78Å; K422-L448 HydrophobicContact CG-CD2 4.26Å; K422-S449 WeakPolarHBondContact CE-O 3.44Å; K422-S449 PolarHBondContact NZ-O 2.99Å |
| 423 | T | 93.9 | Very high | 96.6 | Very high | 86 Ų | 86 | 36.8 Ų | 36.8 | 53% | 0.528 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -102.6 | -22.7 | -168.3 | 66.4 | 0 | 0 | 0 | 0 | 114.2 | T419 | T419-T423 HydrophobicContact CG2-CG2 4.11Å; T419-T423 WeakPolarHBondContact O-CB 3.48Å; T419-T423 WeakPolarHBondContact O-CG2 3.45Å; T419-T423 PolarHBondContact O-N 3.16Å; T419-T423 PolarHBondContact O-OG1 2.96Å |
| 424 | H | 96.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | trans | -79.2 | 120.7 | -177.1 | -168.6 | -71.4 | 0 | 0 | 0 | 111.6 | A344 E347 V420 Q426 Y427 P428 | A344-H424 HydrophobicContact CB-CB 4.31Å; E347-H424 VanDerWaalsContact CD-CE1 3.5Å; E347-H424 IonicContact OE1-CE1 2.79Å; E347-H424 IonicContact OE1-NE2 2.98Å; E347-H424 PolarHBondContact OE1-NE2 3.23Å; E347-H424 IonicContact OE2-CE1 2.75Å; E347-H424 PolarHBondContact OE2-CE1 3.45Å; E347-H424 IonicContact OE2-NE2 2.88Å; V420-H424 HydrophobicContact CG1-CB 4.42Å; V420-H424 WeakPolarHBondContact O-CB 3.37Å; V420-H424 PolarHBondContact O-N 3.47Å; H424-Q426 VanDerWaalsContact C-N 3.28Å; H424-Q426 PolarHBondContact ND1-N 2.67Å; H424-Q426 PolarHBondContact O-N 2.98Å; H424-Q426 VanDerWaalsContact O-N 3.1Å; H424-Y427 PolarHBondContact ND1-N 3.05Å; H424-Y427 PolarHBondContact O-N 3.2Å; H424-P428 WeakPolarHBondContact O-CD 3.42Å | ||
| 425 | P | 96.3 | Very high | 96.6 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 31% | 0.312 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -26 | -165.6 | 23.8 | -34.6 | 0 | 0 | 0 | 114.7 | E347 | E347-P425 HydrophobicContact CB-CG 4.28Å; E347-P425 WeakPolarHBondContact O-CG 3.32Å |
| 426 | Q | 96.7 | Very high | 96.5 | Very high | 44 Ų | 44 | 43 Ų | 43 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -12 | -176.6 | -53.6 | -56.1 | -30.2 | 0 | 0 | 114.4 | H424 K429 R430 | H424-Q426 VanDerWaalsContact C-N 3.28Å; H424-Q426 PolarHBondContact ND1-N 2.67Å; H424-Q426 PolarHBondContact O-N 2.98Å; H424-Q426 VanDerWaalsContact O-N 3.1Å; Q426-K429 PolarHBondContact O-N 2.93Å; Q426-R430 WeakPolarHBondContact O-CD 3.49Å; Q426-R430 WeakPolarHBondContact O-CG 3.42Å; Q426-R430 PolarHBondContact O-N 3.07Å; Q426-R430 VanDerWaalsContact O-N 3.1Å |
| 427 | Y | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68 | -50.3 | -165.7 | -165.1 | -68.3 | 0 | 0 | 0 | 112.3 | I234 S386 S387 V390 V420 H424 K429 R430 L431 | I234-Y427 HydrophobicContact CD1-CE1 3.89Å; I234-Y427 HydrophobicContact CG2-CE1 3.99Å; S386-Y427 PolarHBondContact O-OH 3.32Å; S386-Y427 WeakPolarHBondContact OG-CE2 3.3Å; S386-Y427 PolarHBondContact OG-OH 2.7Å; S387-Y427 PolarHBondContact N-OH 3Å; V390-Y427 WeakPolarHBondContact CG2-OH 3.35Å; V420-Y427 HydrophobicContact CG1-CD2 3.74Å; V420-Y427 HydrophobicContact CG1-CE2 3.86Å; V420-Y427 HydrophobicContact CG1-CG 4.25Å; H424-Y427 PolarHBondContact ND1-N 3.05Å; H424-Y427 PolarHBondContact O-N 3.2Å; Y427-K429 VanDerWaalsContact C-N 3.32Å; Y427-K429 PolarHBondContact O-N 3.41Å; Y427-R430 PolarHBondContact O-N 3.1Å; Y427-L431 PolarHBondContact O-N 2.68Å |
| 428 | P | 97.8 | Very high | 96.7 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.7 | -43.2 | 177.9 | -26.4 | 36.9 | 0 | 0 | 0 | 112.6 | Y421 H424 R430 L431 H432 | Y421-P428 HydrophobicContact CD1-CG 4.26Å; Y421-P428 HydrophobicContact CD2-CB 4.13Å; Y421-P428 HydrophobicContact CD2-CG 3.86Å; Y421-P428 HydrophobicContact CE1-CB 4.4Å; Y421-P428 HydrophobicContact CE1-CG 4.19Å; Y421-P428 HydrophobicContact CE2-CB 3.57Å; Y421-P428 HydrophobicContact CE2-CG 3.79Å; Y421-P428 HydrophobicContact CG-CG 4.1Å; Y421-P428 WeakPolarHBondContact O-CG 3.21Å; H424-P428 WeakPolarHBondContact O-CD 3.42Å; P428-R430 VanDerWaalsContact C-N 3.35Å; P428-R430 PolarHBondContact O-N 3.33Å; P428-L431 PolarHBondContact O-N 3.42Å; P428-H432 WeakPolarHBondContact O-CB 3.16Å; P428-H432 PolarHBondContact O-CD2 2.9Å; P428-H432 PolarHBondContact O-N 3.47Å; P428-H432 PolarHBondContact O-ND1 3.4Å |
| 429 | K | 97.5 | Very high | 96.8 | Very high | 147 Ų | 147 | 48.7 Ų | 48.7 | 64% | 0.639 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.1 | -43.6 | -179.1 | -67.1 | -179.5 | -177.3 | 173.6 | 0 | 111.7 | Q426 Y427 K433 | Q426-K429 PolarHBondContact O-N 2.93Å; Y427-K429 VanDerWaalsContact C-N 3.32Å; Y427-K429 PolarHBondContact O-N 3.41Å; K429-K433 VanDerWaalsContact O-CB 3.32Å; K429-K433 WeakPolarHBondContact O-CB 3.17Å; K429-K433 PolarHBondContact O-N 2.93Å; K429-K433 VanDerWaalsContact O-N 3.12Å |
| 430 | R | 97.9 | Very high | 97 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 17% | 0.17 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -51.4 | 178.2 | -74.7 | 164.6 | 175.1 | 170.8 | 13.7 | 111.2 | E347 S383 F384 Q426 Y427 P428 H432 K433 V434 | E347-R430 IonicContact OE2-CZ 3.72Å; E347-R430 IonicContact OE2-NH1 3.33Å; E347-R430 PolarHBondContact OE2-NH1 3.19Å; E347-R430 IonicContact OE2-NH2 3.51Å; E347-R430 PolarHBondContact OE2-NH2 3.21Å; S383-R430 PolarHBondContact OG-NH1 2.87Å; F384-R430 HydrophobicContact CD2-CB 3.83Å; F384-R430 VanDerWaalsContact CD2-CD 3.5Å; F384-R430 HydrophobicContact CD2-CG 3.7Å; F384-R430 HydrophobicContact CE2-CB 3.85Å; F384-R430 HydrophobicContact CE2-CG 3.78Å; Q426-R430 WeakPolarHBondContact O-CD 3.49Å; Q426-R430 WeakPolarHBondContact O-CG 3.42Å; Q426-R430 PolarHBondContact O-N 3.07Å; Q426-R430 VanDerWaalsContact O-N 3.1Å; Y427-R430 PolarHBondContact O-N 3.1Å; P428-R430 VanDerWaalsContact C-N 3.35Å; P428-R430 PolarHBondContact O-N 3.33Å; R430-H432 PolarHBondContact O-N 3.2Å; R430-K433 PolarHBondContact O-N 3.12Å; R430-V434 VanDerWaalsContact O-CG2 3.32Å; R430-V434 WeakPolarHBondContact O-CG2 3.38Å; R430-V434 PolarHBondContact O-N 3.39Å; R430-V434 VanDerWaalsContact O-N 3.09Å |
| 431 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.1 | -53.7 | 176.4 | 174.2 | 60.7 | 0 | 0 | 0 | 111.5 | L232 I234 V390 A391 Y421 Y427 P428 K433 V434 V435 | L232-L431 HydrophobicContact CD2-CD2 4.36Å; I234-L431 HydrophobicContact CD1-CD2 3.81Å; V390-L431 HydrophobicContact CB-CD1 4.16Å; V390-L431 HydrophobicContact CG1-CD1 3.91Å; V390-L431 HydrophobicContact CG1-CD2 4.27Å; A391-L431 HydrophobicContact CB-CD1 3.71Å; Y421-L431 HydrophobicContact CD2-CD2 4.31Å; Y421-L431 HydrophobicContact CE2-CD2 4.16Å; Y427-L431 PolarHBondContact O-N 2.68Å; P428-L431 PolarHBondContact O-N 3.42Å; L431-K433 VanDerWaalsContact C-N 3.29Å; L431-K433 PolarHBondContact O-N 3.32Å; L431-V434 PolarHBondContact O-N 3.28Å; L431-V435 HydrophobicContact CD1-CG2 4.05Å; L431-V435 WeakPolarHBondContact O-CG2 3.38Å; L431-V435 PolarHBondContact O-N 3.2Å |
| 432 | H | 98.3 | Very high | 96.9 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 13% | 0.13 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.9 | -38.2 | -177.6 | -60.3 | 169.4 | 0 | 0 | 0 | 112.3 | Y421 P428 R430 R436 F446 | Y421-H432 AromaticContact CE2-NE2 3.65Å; Y421-H432 AromaticContact CZ-NE2 3.71Å; Y421-H432 PolarHBondContact OH-CE1 3.09Å; Y421-H432 PolarHBondContact OH-NE2 2.93Å; P428-H432 WeakPolarHBondContact O-CB 3.16Å; P428-H432 PolarHBondContact O-CD2 2.9Å; P428-H432 PolarHBondContact O-N 3.47Å; P428-H432 PolarHBondContact O-ND1 3.4Å; R430-H432 PolarHBondContact O-N 3.2Å; H432-R436 WeakPolarHBondContact O-CB 3.1Å; H432-R436 VanDerWaalsContact O-CG 3.31Å; H432-R436 WeakPolarHBondContact O-CG 3.41Å; H432-R436 PolarHBondContact O-N 3.35Å; H432-R436 VanDerWaalsContact O-N 3.09Å; H432-F446 HydrophobicContact CB-CD2 4.42Å; H432-F446 HydrophobicContact CB-CE2 4.21Å; H432-F446 AromaticContact CD2-CD1 3.73Å; H432-F446 AromaticContact CD2-CD2 3.26Å; H432-F446 WeakPolarHBondContact CD2-CD2 3.14Å; H432-F446 AromaticContact CD2-CE1 3.82Å; H432-F446 AromaticContact CD2-CE2 3.38Å; H432-F446 WeakPolarHBondContact CD2-CE2 3.36Å; H432-F446 AromaticContact CD2-CG 3.44Å; H432-F446 VanDerWaalsContact CD2-CG 3.44Å; H432-F446 WeakPolarHBondContact CD2-CG 3.4Å; H432-F446 AromaticContact CD2-CZ 3.66Å; H432-F446 AromaticContact CE1-CD2 3.92Å; H432-F446 AromaticContact CE1-CG 3.8Å; H432-F446 AromaticContact CG-CD2 3.68Å; H432-F446 AromaticContact CG-CE2 3.84Å; H432-F446 WeakPolarHBondContact NE2-CB 3.43Å; H432-F446 AromaticContact NE2-CD1 3.53Å; H432-F446 AromaticContact NE2-CD2 3.46Å; H432-F446 WeakPolarHBondContact NE2-CD2 3.27Å; H432-F446 AromaticContact NE2-CG 3.17Å; H432-F446 WeakPolarHBondContact NE2-CG 3.29Å |
| 433 | K | 98.1 | Very high | 97 | Very high | 142 Ų | 142 | 57.8 Ų | 57.8 | 62% | 0.617 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.4 | -41.8 | 178.9 | -175.6 | 177.7 | -179.9 | -178.9 | 0 | 111.3 | K429 R430 L431 R437 | K429-K433 VanDerWaalsContact O-CB 3.32Å; K429-K433 WeakPolarHBondContact O-CB 3.17Å; K429-K433 PolarHBondContact O-N 2.93Å; K429-K433 VanDerWaalsContact O-N 3.12Å; R430-K433 PolarHBondContact O-N 3.12Å; L431-K433 VanDerWaalsContact C-N 3.29Å; L431-K433 PolarHBondContact O-N 3.32Å; K433-R437 VanDerWaalsContact O-CB 3.3Å; K433-R437 WeakPolarHBondContact O-CB 3.39Å; K433-R437 PolarHBondContact O-N 3.21Å |
| 434 | V | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.6 | -46.6 | 180 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | L36 N388 A391 R430 L431 R436 R437 L438 | L36-V434 HydrophobicContact CD1-CG1 3.87Å; N388-V434 VanDerWaalsContact OD1-CG2 3.29Å; N388-V434 WeakPolarHBondContact OD1-CG2 3.37Å; A391-V434 HydrophobicContact CB-CB 3.74Å; A391-V434 HydrophobicContact CB-CG1 3.44Å; A391-V434 VanDerWaalsContact CB-CG1 3.44Å; R430-V434 VanDerWaalsContact O-CG2 3.32Å; R430-V434 WeakPolarHBondContact O-CG2 3.38Å; R430-V434 PolarHBondContact O-N 3.39Å; R430-V434 VanDerWaalsContact O-N 3.09Å; L431-V434 PolarHBondContact O-N 3.28Å; V434-R436 VanDerWaalsContact C-N 3.35Å; V434-R436 PolarHBondContact O-N 2.75Å; V434-R437 WeakPolarHBondContact O-CB 3.27Å; V434-R437 PolarHBondContact O-N 3.25Å; V434-R437 VanDerWaalsContact O-N 3.08Å; V434-L438 HydrophobicContact CG1-CD1 3.86Å; V434-L438 HydrophobicContact CG1-CG 4.25Å; V434-L438 WeakPolarHBondContact O-CG 3.49Å; V434-L438 PolarHBondContact O-N 3.29Å |
| 435 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 178.1 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | A391 L394 L398 L431 R437 L438 L439 V444 F446 | A391-V435 HydrophobicContact CB-CG2 3.87Å; L394-V435 HydrophobicContact CD2-CG2 4.06Å; L398-V435 HydrophobicContact CD1-CG1 4.04Å; L431-V435 HydrophobicContact CD1-CG2 4.05Å; L431-V435 WeakPolarHBondContact O-CG2 3.38Å; L431-V435 PolarHBondContact O-N 3.2Å; V435-R437 VanDerWaalsContact C-N 3.3Å; V435-R437 PolarHBondContact O-N 3.43Å; V435-L438 PolarHBondContact O-N 2.93Å; V435-L439 PolarHBondContact O-N 3.45Å; V435-V444 HydrophobicContact CG1-CG2 4.24Å; V435-F446 HydrophobicContact CB-CZ 4.33Å; V435-F446 HydrophobicContact CG1-CZ 4.25Å; V435-F446 HydrophobicContact CG2-CZ 4.26Å |
| 436 | R | 97.2 | Very high | 97.3 | Very high | 134 Ų | 134 | 60.2 Ų | 60.2 | 51% | 0.506 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -32.7 | 177.1 | -70.3 | -178.2 | -162.9 | 120.7 | 1.3 | 113.2 | H432 V434 L439 | H432-R436 WeakPolarHBondContact O-CB 3.1Å; H432-R436 VanDerWaalsContact O-CG 3.31Å; H432-R436 WeakPolarHBondContact O-CG 3.41Å; H432-R436 PolarHBondContact O-N 3.35Å; H432-R436 VanDerWaalsContact O-N 3.09Å; V434-R436 VanDerWaalsContact C-N 3.35Å; V434-R436 PolarHBondContact O-N 2.75Å; R436-L439 CarbonylContact O-C 3.55Å |
| 437 | R | 97.3 | Very high | 97.3 | Very high | 102 Ų | 102 | 59.3 Ų | 59.3 | 39% | 0.385 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 177.6 | -176.9 | 172.7 | 69.3 | -123.6 | 1.6 | 111.4 | D33 K433 V434 V435 | D33-R437 VanDerWaalsContact CG-NE 3.34Å; D33-R437 IonicContact OD1-CZ 3.91Å; D33-R437 VanDerWaalsContact OD1-CZ 3.27Å; D33-R437 IonicContact OD1-NE 3.93Å; D33-R437 PolarHBondContact OD1-NE 3.4Å; D33-R437 VanDerWaalsContact OD1-NE 3.13Å; D33-R437 IonicContact OD1-NH2 2.87Å; D33-R437 PolarHBondContact OD1-NH2 2.78Å; D33-R437 VanDerWaalsContact OD2-CD 3.31Å; D33-R437 WeakPolarHBondContact OD2-CD 3.24Å; D33-R437 IonicContact OD2-CZ 3.49Å; D33-R437 IonicContact OD2-NE 2.62Å; D33-R437 PolarHBondContact OD2-NE 3.03Å; D33-R437 IonicContact OD2-NH2 3.34Å; K433-R437 VanDerWaalsContact O-CB 3.3Å; K433-R437 WeakPolarHBondContact O-CB 3.39Å; K433-R437 PolarHBondContact O-N 3.21Å; V434-R437 WeakPolarHBondContact O-CB 3.27Å; V434-R437 PolarHBondContact O-N 3.25Å; V434-R437 VanDerWaalsContact O-N 3.08Å; V435-R437 VanDerWaalsContact C-N 3.3Å; V435-R437 PolarHBondContact O-N 3.43Å |
| 438 | L | 97.6 | Very high | 97.1 | Very high | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -81.3 | -22.8 | -178.6 | -62.7 | -177.6 | 0 | 0 | 0 | 113.3 | D33 L36 V37 V395 V434 V435 | D33-L438 HydrophobicContact CB-CD2 4.23Å; L36-L438 HydrophobicContact CB-CD1 3.95Å; L36-L438 HydrophobicContact CD1-CD1 4.43Å; V37-L438 HydrophobicContact CG2-CD2 4Å; V395-L438 HydrophobicContact CG1-CB 4.38Å; V395-L438 HydrophobicContact CG2-CB 3.89Å; V395-L438 HydrophobicContact CG2-CD1 4.17Å; V434-L438 HydrophobicContact CG1-CD1 3.86Å; V434-L438 HydrophobicContact CG1-CG 4.25Å; V434-L438 WeakPolarHBondContact O-CG 3.49Å; V434-L438 PolarHBondContact O-N 3.29Å; V435-L438 PolarHBondContact O-N 2.93Å |
| 439 | L | 96.3 | Very high | 96.7 | Very high | 16 Ų | 16 | 60.9 Ų | 60.9 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | trans | -127.4 | 69.9 | 176.6 | -67.8 | 174.9 | 0 | 0 | 0 | 111.6 | V395 L398 V435 R436 D441 C442 | V395-L439 HydrophobicContact CB-CD1 4.14Å; V395-L439 HydrophobicContact CB-CG 4.43Å; V395-L439 HydrophobicContact CG1-CD1 3.98Å; V395-L439 HydrophobicContact CG1-CD2 4.15Å; V395-L439 HydrophobicContact CG1-CG 3.88Å; V395-L439 HydrophobicContact CG2-CD1 3.96Å; V395-L439 HydrophobicContact CG2-CG 4.1Å; L398-L439 HydrophobicContact CB-CD1 3.67Å; L398-L439 HydrophobicContact CD1-CD1 3.93Å; L398-L439 HydrophobicContact CG-CD1 4.46Å; V435-L439 PolarHBondContact O-N 3.45Å; R436-L439 CarbonylContact O-C 3.55Å; L439-D441 PolarHBondContact O-N 3.2Å; L439-C442 HydrophobicContact CB-CB 3.93Å; L439-C442 PolarHBondContact O-N 2.99Å; L439-C442 VanDerWaalsContact O-N 3.13Å | ||
| 440 | P | 95.4 | Very high | 95.9 | Very high | 100 Ų | 100 | 61.3 Ų | 61.3 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -27.4 | -177.3 | 26.3 | -35 | 0 | 0 | 0 | 113.3 | C442 | P440-C442 VanDerWaalsContact C-N 3.27Å; P440-C442 PolarHBondContact O-N 3.21Å |
| 441 | D | 94.4 | Very high | 94.7 | Very high | 115 Ų | 115 | 60.9 Ų | 60.9 | 62% | 0.615 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -0.9 | 179.6 | -57.8 | -48.4 | 0 | 0 | 0 | 113.6 | G409 L410 L439 | G409-D441 WeakPolarHBondContact CA-O 3.28Å; L410-D441 PolarHBondContact N-O 3.33Å; L439-D441 PolarHBondContact O-N 3.2Å |
| 442 | C | 95.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 61.2 Ų | 61.2 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.6 | -179.5 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | L410 L439 P440 V444 | L410-C442 HydrophobicContact CB-CB 4.37Å; L410-C442 CarbonylContact O-C 3.56Å; L410-C442 VanDerWaalsContact O-CA 3.25Å; L410-C442 WeakPolarHBondContact O-CA 3.35Å; L439-C442 HydrophobicContact CB-CB 3.93Å; L439-C442 PolarHBondContact O-N 2.99Å; L439-C442 VanDerWaalsContact O-N 3.13Å; P440-C442 VanDerWaalsContact C-N 3.27Å; P440-C442 PolarHBondContact O-N 3.21Å; C442-V444 HydrophobicContact CB-CG2 3.95Å; C442-V444 PolarHBondContact O-N 3.11Å |
| 443 | Q | 96.9 | Very high | 92.5 | Very high | 138 Ų | 138 | 60.1 Ų | 60.1 | 65% | 0.645 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 90.3 | 169.9 | -65.2 | -178.1 | 11.3 | 0 | 0 | 109.7 | L410 R411 I412 | L410-Q443 PolarHBondContact O-N 3.23Å; R411-Q443 WeakPolarHBondContact CA-O 3.49Å; R411-Q443 HydrophobicContact CB-CB 4.4Å; R411-Q443 HydrophobicContact CG-CB 4.48Å; I412-Q443 PolarHBondContact N-O 3.07Å; I412-Q443 VanDerWaalsContact N-O 3.09Å |
| 444 | V | 98 | Very high | 91.4 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 118 | -178.8 | -169.9 | 0 | 0 | 0 | 0 | 110.5 | L398 I412 V414 V435 C442 F446 | L398-V444 HydrophobicContact CD1-CG1 4.18Å; L398-V444 HydrophobicContact CD1-CG2 3.67Å; I412-V444 HydrophobicContact CG2-CG2 4.29Å; I412-V444 WeakPolarHBondContact O-CA 3.47Å; V414-V444 HydrophobicContact CG2-CG1 3.74Å; V435-V444 HydrophobicContact CG1-CG2 4.24Å; C442-V444 HydrophobicContact CB-CG2 3.95Å; C442-V444 PolarHBondContact O-N 3.11Å; V444-F446 HydrophobicContact CB-CE2 4.25Å; V444-F446 HydrophobicContact CG1-CD2 4.22Å; V444-F446 HydrophobicContact CG1-CE1 4.46Å; V444-F446 HydrophobicContact CG1-CE2 3.65Å; V444-F446 HydrophobicContact CG1-CZ 3.8Å |
| 445 | R | 98.1 | Very high | 90.9 | Very high | 148 Ų | 148 | 54.1 Ų | 54.1 | 56% | 0.558 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 134.4 | 170 | -174.3 | -175.5 | -178.4 | -176.2 | 3 | 109.3 | D225 I412 T413 V414 V447 | D225-R445 WeakPolarHBondContact OD2-CD 3.29Å; D225-R445 IonicContact OD2-CZ 3.4Å; D225-R445 IonicContact OD2-NE 3.19Å; D225-R445 IonicContact OD2-NH1 3.21Å; D225-R445 PolarHBondContact OD2-NH1 3.24Å; I412-R445 PolarHBondContact O-N 2.89Å; T413-R445 CarbonylContact C-O 3.53Å; T413-R445 VanDerWaalsContact CA-O 3.3Å; T413-R445 WeakPolarHBondContact CA-O 3.43Å; V414-R445 PolarHBondContact N-O 3.5Å; R445-V447 HydrophobicContact CG-CG2 4.11Å |
| 446 | F | 97.8 | Very high | 90.4 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.5 | 172.5 | -66 | -93.7 | 0 | 0 | 0 | 108.5 | L394 V414 V416 H432 V435 V444 | L394-F446 HydrophobicContact CD2-CE1 3.58Å; L394-F446 HydrophobicContact CD2-CZ 3.83Å; V414-F446 HydrophobicContact CB-CD1 3.93Å; V414-F446 HydrophobicContact CB-CE1 4.11Å; V414-F446 HydrophobicContact CG1-CD1 4.18Å; V414-F446 HydrophobicContact CG1-CE1 4.22Å; V414-F446 HydrophobicContact CG2-CE1 4.32Å; V414-F446 WeakPolarHBondContact O-CA 3.5Å; V416-F446 HydrophobicContact CG2-CB 4.47Å; V416-F446 HydrophobicContact CG2-CD1 3.82Å; H432-F446 HydrophobicContact CB-CD2 4.42Å; H432-F446 HydrophobicContact CB-CE2 4.21Å; H432-F446 AromaticContact CD2-CD1 3.73Å; H432-F446 AromaticContact CD2-CD2 3.26Å; H432-F446 WeakPolarHBondContact CD2-CD2 3.14Å; H432-F446 AromaticContact CD2-CE1 3.82Å; H432-F446 AromaticContact CD2-CE2 3.38Å; H432-F446 WeakPolarHBondContact CD2-CE2 3.36Å; H432-F446 AromaticContact CD2-CG 3.44Å; H432-F446 VanDerWaalsContact CD2-CG 3.44Å; H432-F446 WeakPolarHBondContact CD2-CG 3.4Å; H432-F446 AromaticContact CD2-CZ 3.66Å; H432-F446 AromaticContact CE1-CD2 3.92Å; H432-F446 AromaticContact CE1-CG 3.8Å; H432-F446 AromaticContact CG-CD2 3.68Å; H432-F446 AromaticContact CG-CE2 3.84Å; H432-F446 WeakPolarHBondContact NE2-CB 3.43Å; H432-F446 AromaticContact NE2-CD1 3.53Å; H432-F446 AromaticContact NE2-CD2 3.46Å; H432-F446 WeakPolarHBondContact NE2-CD2 3.27Å; H432-F446 AromaticContact NE2-CG 3.17Å; H432-F446 WeakPolarHBondContact NE2-CG 3.29Å; V435-F446 HydrophobicContact CB-CZ 4.33Å; V435-F446 HydrophobicContact CG1-CZ 4.25Å; V435-F446 HydrophobicContact CG2-CZ 4.26Å; V444-F446 HydrophobicContact CB-CE2 4.25Å; V444-F446 HydrophobicContact CG1-CD2 4.22Å; V444-F446 HydrophobicContact CG1-CE1 4.46Å; V444-F446 HydrophobicContact CG1-CE2 3.65Å; V444-F446 HydrophobicContact CG1-CZ 3.8Å |
| 447 | V | 95.9 | Very high | 90.1 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 15% | 0.152 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.3 | 179.1 | 175.4 | 0 | 0 | 0 | 0 | 107.9 | C221 T413 V414 G415 V416 R445 | C221-V447 HydrophobicContact CB-CB 4.41Å; C221-V447 HydrophobicContact CB-CG1 4.19Å; T413-V447 HydrophobicContact CG2-CB 3.99Å; T413-V447 HydrophobicContact CG2-CG2 3.49Å; T413-V447 VanDerWaalsContact CG2-CG2 3.49Å; V414-V447 PolarHBondContact O-N 3.39Å; G415-V447 CarbonylContact C-O 3.52Å; G415-V447 WeakPolarHBondContact CA-O 3.34Å; V416-V447 PolarHBondContact N-O 3.45Å; R445-V447 HydrophobicContact CG-CG2 4.11Å |
| 448 | L | 94.4 | Very high | 89.8 | Confident | 55 Ų | 55 | 42.9 Ų | 42.9 | 29% | 0.288 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 132.5 | 177.8 | -176.1 | 57.8 | 0 | 0 | 0 | 109.7 | V416 Y421 K422 E450 | V416-L448 WeakPolarHBondContact O-CD1 3.46Å; Y421-L448 HydrophobicContact CD1-CD1 3.95Å; Y421-L448 HydrophobicContact CE1-CD1 3.95Å; K422-L448 HydrophobicContact CD-CD1 4.29Å; K422-L448 VanDerWaalsContact CE-CD1 3.46Å; K422-L448 HydrophobicContact CG-CD1 3.78Å; K422-L448 HydrophobicContact CG-CD2 4.26Å; L448-E450 PolarHBondContact O-N 3.39Å |
| 449 | S | 89.8 | Confident | 89.6 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | trans | -78.2 | 101.3 | 168.1 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | T220 V416 K422 G452 | T220-S449 WeakPolarHBondContact CG2-OG 3.48Å; V416-S449 PolarHBondContact O-N 2.93Å; K422-S449 WeakPolarHBondContact CE-O 3.44Å; K422-S449 PolarHBondContact NZ-O 2.99Å; S449-G452 WeakPolarHBondContact OG-CA 3.43Å; S449-G452 PolarHBondContact OG-N 2.92Å; S449-G452 VanDerWaalsContact OG-N 3.11Å; S449-G452 PolarHBondContact OG-O 3.25Å | ||
| 450 | E | 79.6 | Confident | 89.4 | Confident | 156 Ų | 156 | 40.8 Ų | 40.8 | 73% | 0.729 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -67.3 | -38.1 | 177.4 | -65.8 | -61.5 | 156.4 | 0 | 0 | 112.1 | L448 | L448-E450 PolarHBondContact O-N 3.39Š|
| 451 | S | 71.9 | Confident | 89.2 | Confident | 36 Ų | 36 | 36 Ų | 36 | 25% | 0.252 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -87.9 | -1.1 | -179.6 | 42.1 | 0 | 0 | 0 | 0 | 114.1 | K455 | S451-K455 WeakPolarHBondContact OG-CD 3.37Š|
| 452 | G | 74 | Confident | 89 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | trans | 77.9 | -168 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T220 D417 S449 S454 | T220-G452 PolarHBondContact OG1-O 3.43Å; D417-G452 WeakPolarHBondContact OD2-CA 3.29Å; S449-G452 WeakPolarHBondContact OG-CA 3.43Å; S449-G452 PolarHBondContact OG-N 2.92Å; S449-G452 VanDerWaalsContact OG-N 3.11Å; S449-G452 PolarHBondContact OG-O 3.25Å; G452-S454 PolarHBondContact O-N 3.37Å | ||
| 453 | S | 77.8 | Confident | 88.7 | Confident | 6 Ų | 6 | 30.5 Ų | 30.5 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64 | -26.9 | 175.6 | 47.8 | 0 | 0 | 0 | 0 | 112.8 | D84 A216 D417 K455 G456 A457 | D84-S453 PolarHBondContact OD2-OG 3.25Å; A216-S453 WeakPolarHBondContact CB-O 3.24Å; D417-S453 PolarHBondContact OD2-N 3.23Å; S453-K455 PolarHBondContact O-N 2.87Å; S453-G456 WeakPolarHBondContact O-CA 3.46Å; S453-G456 PolarHBondContact O-N 3.35Å; S453-A457 PolarHBondContact O-N 3.42Å |
| 454 | S | 75.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.7 | -33.3 | -168.1 | -41.5 | 0 | 0 | 0 | 0 | 115.2 | D84 L93 G452 G456 | D84-S454 WeakPolarHBondContact CB-OG 3.24Å; D84-S454 PolarHBondContact OD2-OG 2.97Å; D84-S454 VanDerWaalsContact OD2-OG 3.08Å; L93-S454 WeakPolarHBondContact CD1-OG 3.45Å; G452-S454 PolarHBondContact O-N 3.37Å; S454-G456 VanDerWaalsContact C-N 3.26Å; S454-G456 PolarHBondContact O-N 2.99Å |
| 455 | K | 86.2 | Confident | 87.7 | Confident | 16 Ų | 16 | 27.9 Ų | 27.9 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.8 | -40.8 | 171.1 | -179.6 | 175.2 | 160.3 | -163.7 | 0 | 110.5 | V108 M110 T220 D224 S451 S453 A458 L459 | V108-K455 HydrophobicContact CG1-CD 4.25Å; V108-K455 HydrophobicContact CG1-CG 4.18Å; M110-K455 HydrophobicContact CE-CB 3.76Å; M110-K455 HydrophobicContact SD-CB 3.59Å; M110-K455 VanDerWaalsContact SD-CB 3.59Å; M110-K455 HydrophobicContact SD-CD 3.98Å; M110-K455 HydrophobicContact SD-CG 3.79Å; T220-K455 HydrophobicContact CG2-CB 4.05Å; T220-K455 HydrophobicContact CG2-CD 3.82Å; T220-K455 HydrophobicContact CG2-CG 4.21Å; D224-K455 IonicContact OD1-NZ 3.91Å; D224-K455 PolarHBondContact OD1-NZ 3.11Å; D224-K455 IonicContact OD2-NZ 2.66Å; D224-K455 PolarHBondContact OD2-NZ 3.24Å; S451-K455 WeakPolarHBondContact OG-CD 3.37Å; S453-K455 PolarHBondContact O-N 2.87Å; K455-A458 PolarHBondContact O-N 3.39Å; K455-L459 HydrophobicContact CG-CD1 3.96Å; K455-L459 HydrophobicContact CG-CG 4.5Å; K455-L459 WeakPolarHBondContact O-CG 3.38Å; K455-L459 PolarHBondContact O-N 3.48Å; K455-L459 VanDerWaalsContact O-N 3.11Å |
| 456 | G | 89.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.8 | -41 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | A216 T220 S453 S454 A458 L459 V460 | A216-G456 WeakPolarHBondContact O-CA 3.25Å; T220-G456 WeakPolarHBondContact OG1-CA 3.4Å; T220-G456 PolarHBondContact OG1-N 2.97Å; S453-G456 WeakPolarHBondContact O-CA 3.46Å; S453-G456 PolarHBondContact O-N 3.35Å; S454-G456 VanDerWaalsContact C-N 3.26Å; S454-G456 PolarHBondContact O-N 2.99Å; G456-A458 VanDerWaalsContact C-N 3.35Å; G456-A458 PolarHBondContact O-N 3.35Å; G456-L459 WeakPolarHBondContact O-CB 3.49Å; G456-L459 PolarHBondContact O-N 3.37Å; G456-L459 VanDerWaalsContact O-N 3.17Å; G456-V460 WeakPolarHBondContact O-CG2 3.1Å; G456-V460 PolarHBondContact O-N 3.33Å |
| 457 | A | 90.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A155 T157 V211 A216 S453 L459 V460 A461 | A155-A457 HydrophobicContact CB-CB 3.8Å; A155-A457 WeakPolarHBondContact CB-O 3.3Å; T157-A457 WeakPolarHBondContact OG1-CB 3.43Å; V211-A457 HydrophobicContact CG2-CB 3.73Å; A216-A457 HydrophobicContact CB-CB 4.5Å; S453-A457 PolarHBondContact O-N 3.42Å; A457-L459 VanDerWaalsContact C-N 3.31Å; A457-L459 PolarHBondContact O-N 2.81Å; A457-V460 WeakPolarHBondContact O-CB 3.45Å; A457-V460 PolarHBondContact O-N 2.91Å; A457-A461 PolarHBondContact O-N 2.96Å; A457-A461 VanDerWaalsContact O-N 3.1Å |
| 458 | A | 91 | Very high | 85.9 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.9 | -40.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | F80 V95 K455 G456 V460 A461 A462 | F80-A458 HydrophobicContact CB-CB 3.86Å; F80-A458 HydrophobicContact CD2-CB 4.45Å; F80-A458 HydrophobicContact CG-CB 4.33Å; V95-A458 HydrophobicContact CB-CB 3.57Å; V95-A458 HydrophobicContact CG1-CB 3.72Å; V95-A458 HydrophobicContact CG2-CB 3.7Å; K455-A458 PolarHBondContact O-N 3.39Å; G456-A458 VanDerWaalsContact C-N 3.35Å; G456-A458 PolarHBondContact O-N 3.35Å; A458-V460 VanDerWaalsContact C-N 3.35Å; A458-V460 PolarHBondContact O-N 2.65Å; A458-A461 PolarHBondContact O-N 2.79Å; A458-A462 WeakPolarHBondContact O-CB 3.37Å; A458-A462 PolarHBondContact O-N 2.94Å |
| 459 | L | 92.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -35.4 | 175 | -71.4 | 169.2 | 0 | 0 | 0 | 112.8 | P72 V97 F223 K455 G456 A457 A462 V463 | P72-L459 HydrophobicContact CG-CB 4.29Å; P72-L459 HydrophobicContact CG-CD1 4.41Å; V97-L459 HydrophobicContact CG2-CD2 4.16Å; F223-L459 HydrophobicContact CB-CD1 3.69Å; F223-L459 HydrophobicContact CD2-CD1 4.16Å; F223-L459 HydrophobicContact CD2-CD2 3.51Å; F223-L459 HydrophobicContact CD2-CG 4.49Å; F223-L459 HydrophobicContact CE2-CD2 3.87Å; F223-L459 HydrophobicContact CG-CD1 4.03Å; F223-L459 HydrophobicContact CG-CD2 4.16Å; K455-L459 HydrophobicContact CG-CD1 3.96Å; K455-L459 HydrophobicContact CG-CG 4.5Å; K455-L459 WeakPolarHBondContact O-CG 3.38Å; K455-L459 PolarHBondContact O-N 3.48Å; K455-L459 VanDerWaalsContact O-N 3.11Å; G456-L459 WeakPolarHBondContact O-CB 3.49Å; G456-L459 PolarHBondContact O-N 3.37Å; G456-L459 VanDerWaalsContact O-N 3.17Å; A457-L459 VanDerWaalsContact C-N 3.31Å; A457-L459 PolarHBondContact O-N 2.81Å; L459-A462 PolarHBondContact O-N 2.94Å; L459-V463 WeakPolarHBondContact O-CB 3.42Å; L459-V463 VanDerWaalsContact O-CG2 3.28Å; L459-V463 WeakPolarHBondContact O-CG2 3.5Å; L459-V463 PolarHBondContact O-N 2.88Å |
| 460 | V | 93.2 | Very high | 85.4 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 172.4 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | V68 L167 A209 V211 V215 M219 G456 A457 A458 A462 V463 A464 | V68-V460 HydrophobicContact CG1-CG2 4.46Å; V68-V460 HydrophobicContact CG2-CG1 3.71Å; V68-V460 HydrophobicContact CG2-CG2 4.2Å; L167-V460 HydrophobicContact CD1-CG1 3.91Å; L167-V460 HydrophobicContact CD2-CG1 4.18Å; A209-V460 HydrophobicContact CB-CG1 4.13Å; V211-V460 HydrophobicContact CG1-CB 4.29Å; V211-V460 HydrophobicContact CG1-CG1 3.85Å; V211-V460 HydrophobicContact CG1-CG2 4.13Å; V215-V460 HydrophobicContact CG1-CG2 4.43Å; M219-V460 HydrophobicContact CB-CG2 4.18Å; M219-V460 HydrophobicContact CE-CG2 3.89Å; M219-V460 HydrophobicContact CG-CG2 3.57Å; M219-V460 HydrophobicContact SD-CG2 4.39Å; G456-V460 WeakPolarHBondContact O-CG2 3.1Å; G456-V460 PolarHBondContact O-N 3.33Å; A457-V460 WeakPolarHBondContact O-CB 3.45Å; A457-V460 PolarHBondContact O-N 2.91Å; A458-V460 VanDerWaalsContact C-N 3.35Å; A458-V460 PolarHBondContact O-N 2.65Å; V460-A462 VanDerWaalsContact C-N 3.28Å; V460-A462 PolarHBondContact O-N 2.66Å; V460-V463 PolarHBondContact O-N 3.2Å; V460-A464 PolarHBondContact O-N 3.39Å |
| 461 | A | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F80 A155 L208 A209 A457 A458 A464 Q465 | F80-A461 HydrophobicContact CD1-CB 3.84Å; F80-A461 HydrophobicContact CE1-CB 3.99Å; A155-A461 HydrophobicContact CB-CB 4.06Å; L208-A461 HydrophobicContact CB-CB 4.28Å; L208-A461 HydrophobicContact CD1-CB 4.39Å; A209-A461 HydrophobicContact CB-CB 4.45Å; A457-A461 PolarHBondContact O-N 2.96Å; A457-A461 VanDerWaalsContact O-N 3.1Å; A458-A461 PolarHBondContact O-N 2.79Å; A461-A464 PolarHBondContact O-N 3.12Å; A461-Q465 WeakPolarHBondContact O-CG 3.36Å; A461-Q465 PolarHBondContact O-N 3.23Å |
| 462 | A | 90.8 | Very high | 86.6 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E76 F80 A458 L459 V460 Q465 R466 | E76-A462 HydrophobicContact CB-CB 3.82Å; E76-A462 HydrophobicContact CG-CB 4.03Å; F80-A462 HydrophobicContact CD2-CB 4.47Å; F80-A462 HydrophobicContact CE1-CB 4.43Å; F80-A462 HydrophobicContact CE2-CB 3.57Å; F80-A462 HydrophobicContact CZ-CB 3.55Å; A458-A462 WeakPolarHBondContact O-CB 3.37Å; A458-A462 PolarHBondContact O-N 2.94Å; L459-A462 PolarHBondContact O-N 2.94Å; V460-A462 VanDerWaalsContact C-N 3.28Å; V460-A462 PolarHBondContact O-N 2.66Å; A462-Q465 PolarHBondContact O-N 2.97Å; A462-R466 WeakPolarHBondContact O-CB 3.4Å; A462-R466 PolarHBondContact O-N 3.18Å |
| 463 | V | 88.8 | Confident | 87.5 | Confident | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 173.9 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | S70 P72 E76 M219 L459 V460 Q465 R466 L467 | S70-V463 VanDerWaalsContact OG-CG1 3.25Å; S70-V463 WeakPolarHBondContact OG-CG1 3.36Å; P72-V463 HydrophobicContact CB-CG2 4.36Å; P72-V463 HydrophobicContact CG-CG2 4.36Å; E76-V463 HydrophobicContact CG-CG2 3.68Å; E76-V463 WeakPolarHBondContact OE1-CG2 3.44Å; M219-V463 HydrophobicContact CE-CB 4.36Å; M219-V463 HydrophobicContact CE-CG2 3.83Å; L459-V463 WeakPolarHBondContact O-CB 3.42Å; L459-V463 VanDerWaalsContact O-CG2 3.28Å; L459-V463 WeakPolarHBondContact O-CG2 3.5Å; L459-V463 PolarHBondContact O-N 2.88Å; V460-V463 PolarHBondContact O-N 3.2Å; V463-Q465 PolarHBondContact O-N 3.39Å; V463-R466 WeakPolarHBondContact O-CB 3.35Å; V463-R466 PolarHBondContact O-N 3.21Å; V463-L467 HydrophobicContact CG1-CD1 4.26Å; V463-L467 WeakPolarHBondContact O-CG 3.23Å; V463-L467 PolarHBondContact O-N 3.03Å |
| 464 | A | 87.2 | Confident | 88.3 | Confident | 23 Ų | 23 | 35.8 Ų | 35.8 | 19% | 0.19 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L167 V460 A461 R466 L467 I468 | L167-A464 HydrophobicContact CD2-CB 3.52Å; V460-A464 PolarHBondContact O-N 3.39Å; A461-A464 PolarHBondContact O-N 3.12Å; A464-R466 VanDerWaalsContact C-N 3.31Å; A464-R466 PolarHBondContact O-N 3.41Å; A464-L467 PolarHBondContact O-N 2.92Å; A464-I468 WeakPolarHBondContact O-CG1 3.47Å; A464-I468 PolarHBondContact O-N 2.72Å; A464-I468 VanDerWaalsContact O-N 3.1Å |
| 465 | Q | 86.5 | Confident | 89.1 | Confident | 74 Ų | 74 | 39.1 Ų | 39.1 | 35% | 0.346 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.7 | -40.3 | 174.9 | -76.9 | -171.6 | -15.5 | 0 | 0 | 112.5 | F80 L208 A461 A462 V463 I468 S469 | F80-Q465 VanDerWaalsContact CE1-OE1 3.31Å; F80-Q465 VanDerWaalsContact CZ-OE1 3.31Å; L208-Q465 HydrophobicContact CD1-CG 4.01Å; A461-Q465 WeakPolarHBondContact O-CG 3.36Å; A461-Q465 PolarHBondContact O-N 3.23Å; A462-Q465 PolarHBondContact O-N 2.97Å; V463-Q465 PolarHBondContact O-N 3.39Å; Q465-I468 PolarHBondContact O-N 3.27Å; Q465-S469 WeakPolarHBondContact O-CB 3.4Å; Q465-S469 PolarHBondContact O-N 3.45Å |
| 466 | R | 86.2 | Confident | 89.5 | Confident | 28 Ų | 28 | 42.3 Ų | 42.3 | 11% | 0.106 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.3 | -50.4 | 175.4 | 170.1 | 179 | 64.8 | 109.6 | -18.6 | 111.3 | D73 S75 E76 A462 V463 A464 I468 S469 Q470 | D73-R466 VanDerWaalsContact CG-CZ 3.47Å; D73-R466 VanDerWaalsContact CG-NH1 3.29Å; D73-R466 IonicContact OD1-CZ 3.72Å; D73-R466 IonicContact OD1-NE 3.18Å; D73-R466 IonicContact OD1-NH1 3.98Å; D73-R466 IonicContact OD1-NH2 3.25Å; D73-R466 IonicContact OD2-CZ 3.65Å; D73-R466 VanDerWaalsContact OD2-CZ 3.27Å; D73-R466 IonicContact OD2-NH1 3.14Å; D73-R466 PolarHBondContact OD2-NH1 3.17Å; D73-R466 IonicContact OD2-NH2 2.68Å; S75-R466 WeakPolarHBondContact OG-CD 3.49Å; E76-R466 IonicContact OE1-CZ 2.91Å; E76-R466 VanDerWaalsContact OE1-CZ 3.29Å; E76-R466 IonicContact OE1-NE 2.71Å; E76-R466 PolarHBondContact OE1-NE 3.31Å; E76-R466 IonicContact OE1-NH2 3.41Å; E76-R466 PolarHBondContact OE1-NH2 2.91Å; A462-R466 WeakPolarHBondContact O-CB 3.4Å; A462-R466 PolarHBondContact O-N 3.18Å; V463-R466 WeakPolarHBondContact O-CB 3.35Å; V463-R466 PolarHBondContact O-N 3.21Å; A464-R466 VanDerWaalsContact C-N 3.31Å; A464-R466 PolarHBondContact O-N 3.41Å; R466-I468 VanDerWaalsContact C-N 3.35Å; R466-I468 PolarHBondContact O-N 2.88Å; R466-S469 WeakPolarHBondContact O-CB 3.43Å; R466-S469 PolarHBondContact O-N 3.08Å; R466-Q470 HydrophobicContact CG-CG 4.43Å; R466-Q470 WeakPolarHBondContact O-CG 3.38Å; R466-Q470 PolarHBondContact O-N 3.43Å |
| 467 | L | 83.2 | Confident | 89.8 | Confident | 69 Ų | 69 | 42.5 Ų | 42.5 | 36% | 0.361 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.1 | -41.6 | -179.1 | -66.8 | 175.7 | 0 | 0 | 0 | 111.8 | V463 A464 S469 Q470 R471 | V463-L467 HydrophobicContact CG1-CD1 4.26Å; V463-L467 WeakPolarHBondContact O-CG 3.23Å; V463-L467 PolarHBondContact O-N 3.03Å; A464-L467 PolarHBondContact O-N 2.92Å; L467-S469 PolarHBondContact O-N 2.81Å; L467-Q470 PolarHBondContact O-N 3.12Å; L467-R471 PolarHBondContact O-N 3.47Å |
| 468 | I | 84.4 | Confident | 90.1 | Very high | 122 Ų | 122 | 43.5 Ų | 43.5 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.7 | -44.7 | 174.4 | -66.5 | 167 | 0 | 0 | 0 | 110.8 | A464 Q465 R466 R471 R472 | A464-I468 WeakPolarHBondContact O-CG1 3.47Å; A464-I468 PolarHBondContact O-N 2.72Å; A464-I468 VanDerWaalsContact O-N 3.1Å; Q465-I468 PolarHBondContact O-N 3.27Å; R466-I468 VanDerWaalsContact C-N 3.35Å; R466-I468 PolarHBondContact O-N 2.88Å; I468-R471 PolarHBondContact O-N 2.88Å; I468-R472 WeakPolarHBondContact O-CB 3.24Å; I468-R472 PolarHBondContact O-N 3.3Å |
| 469 | S | 86.6 | Confident | 90.3 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 178.4 | -174.7 | 0 | 0 | 0 | 0 | 112.3 | Q465 R466 L467 R472 K473 | Q465-S469 WeakPolarHBondContact O-CB 3.4Å; Q465-S469 PolarHBondContact O-N 3.45Å; R466-S469 WeakPolarHBondContact O-CB 3.43Å; R466-S469 PolarHBondContact O-N 3.08Å; L467-S469 PolarHBondContact O-N 2.81Å; S469-R472 PolarHBondContact O-N 3.33Å; S469-K473 VanDerWaalsContact O-CG 3.32Å; S469-K473 WeakPolarHBondContact O-CG 3.16Å; S469-K473 PolarHBondContact O-N 3.41Å; S469-K473 VanDerWaalsContact O-N 3.09Å |
| 470 | Q | 86.6 | Confident | 90.5 | Very high | 50 Ų | 50 | 50.3 Ų | 50.3 | 23% | 0.234 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | 174.3 | -74.7 | -179.9 | -22.8 | 0 | 0 | 111.1 | R466 L467 R472 K473 V474 L795 | R466-Q470 HydrophobicContact CG-CG 4.43Å; R466-Q470 WeakPolarHBondContact O-CG 3.38Å; R466-Q470 PolarHBondContact O-N 3.43Å; L467-Q470 PolarHBondContact O-N 3.12Å; Q470-R472 PolarHBondContact O-N 3.04Å; Q470-K473 WeakPolarHBondContact O-CB 3.39Å; Q470-K473 PolarHBondContact O-N 2.82Å; Q470-V474 PolarHBondContact O-N 3.13Å; Q470-V474 VanDerWaalsContact O-N 3.15Å; Q470-L795 HydrophobicContact CB-CD2 3.8Å; Q470-L795 HydrophobicContact CG-CD2 3.78Å |
| 471 | R | 87.3 | Confident | 90.7 | Very high | 98 Ų | 98 | 50.5 Ų | 50.5 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 177.3 | -178.5 | 62 | -165.7 | -151.6 | 3.2 | 111.9 | L467 I468 K473 V474 D475 E850 | L467-R471 PolarHBondContact O-N 3.47Å; I468-R471 PolarHBondContact O-N 2.88Å; R471-K473 VanDerWaalsContact C-N 3.26Å; R471-K473 PolarHBondContact O-N 3.04Å; R471-V474 WeakPolarHBondContact O-CB 3.46Å; R471-V474 PolarHBondContact O-N 3.46Å; R471-D475 IonicContact CZ-OD1 2.65Å; R471-D475 IonicContact NE-OD1 2.74Å; R471-D475 PolarHBondContact NE-OD1 3.36Å; R471-D475 IonicContact NE-OD2 3.29Å; R471-D475 IonicContact NH2-OD1 2.65Å; R471-D475 PolarHBondContact NH2-OD1 2.92Å; R471-D475 PolarHBondContact O-N 3.37Å; R471-E850 IonicContact CZ-OE1 3.57Å; R471-E850 IonicContact CZ-OE2 3.05Å; R471-E850 IonicContact NH1-OE1 2.62Å; R471-E850 PolarHBondContact NH1-OE1 3.06Å; R471-E850 IonicContact NH1-OE2 2.92Å; R471-E850 PolarHBondContact NH1-OE2 3.25Å; R471-E850 VanDerWaalsContact NH2-CD 3.32Å; R471-E850 IonicContact NH2-OE1 3.78Å; R471-E850 PolarHBondContact NH2-OE1 2.92Å; R471-E850 IonicContact NH2-OE2 3.15Å; R471-E850 PolarHBondContact NH2-OE2 2.97Å |
| 472 | R | 90.9 | Very high | 91 | Very high | 136 Ų | 136 | 55 Ų | 55 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.7 | -40.8 | 176.2 | -171.7 | 179.1 | 72.2 | 94.9 | 9.3 | 112.4 | I468 S469 Q470 V474 D475 E476 | I468-R472 WeakPolarHBondContact O-CB 3.24Å; I468-R472 PolarHBondContact O-N 3.3Å; S469-R472 PolarHBondContact O-N 3.33Å; Q470-R472 PolarHBondContact O-N 3.04Å; R472-V474 VanDerWaalsContact C-N 3.34Å; R472-V474 PolarHBondContact O-N 3.11Å; R472-D475 PolarHBondContact O-N 3.31Å; R472-E476 IonicContact CZ-OE1 2.63Å; R472-E476 VanDerWaalsContact CZ-OE1 3.26Å; R472-E476 IonicContact NE-OE1 2.84Å; R472-E476 IonicContact NH1-OE1 3.44Å; R472-E476 PolarHBondContact NH1-OE1 3.38Å; R472-E476 IonicContact NH2-OE1 2.7Å; R472-E476 WeakPolarHBondContact O-CB 3.13Å; R472-E476 VanDerWaalsContact O-CG 3.28Å; R472-E476 WeakPolarHBondContact O-CG 3.44Å; R472-E476 PolarHBondContact O-N 2.92Å |
| 473 | K | 93.1 | Very high | 91.2 | Very high | 80 Ų | 80 | 55.4 Ų | 55.4 | 35% | 0.348 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.4 | -33.3 | 177.6 | -75.8 | 173.8 | -178.3 | -177.7 | 0 | 113.3 | S469 Q470 R471 A477 R793 L795 | S469-K473 VanDerWaalsContact O-CG 3.32Å; S469-K473 WeakPolarHBondContact O-CG 3.16Å; S469-K473 PolarHBondContact O-N 3.41Å; S469-K473 VanDerWaalsContact O-N 3.09Å; Q470-K473 WeakPolarHBondContact O-CB 3.39Å; Q470-K473 PolarHBondContact O-N 2.82Å; R471-K473 VanDerWaalsContact C-N 3.26Å; R471-K473 PolarHBondContact O-N 3.04Å; K473-A477 PolarHBondContact O-N 2.93Å; K473-R793 PolarHBondContact O-NH2 3Å; K473-R793 VanDerWaalsContact O-NH2 3.09Å; K473-L795 HydrophobicContact CB-CD1 3.69Å; K473-L795 HydrophobicContact CB-CD2 4.23Å; K473-L795 HydrophobicContact CD-CD1 4.48Å; K473-L795 HydrophobicContact CD-CD2 4.17Å |
| 474 | V | 93.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.9 | -49.8 | 172.3 | 174.9 | 0 | 0 | 0 | 0 | 109.4 | Q470 R471 R472 E476 A477 L478 L790 L795 I847 | Q470-V474 PolarHBondContact O-N 3.13Å; Q470-V474 VanDerWaalsContact O-N 3.15Å; R471-V474 WeakPolarHBondContact O-CB 3.46Å; R471-V474 PolarHBondContact O-N 3.46Å; R472-V474 VanDerWaalsContact C-N 3.34Å; R472-V474 PolarHBondContact O-N 3.11Å; V474-E476 VanDerWaalsContact C-N 3.3Å; V474-E476 PolarHBondContact O-N 3.25Å; V474-A477 WeakPolarHBondContact O-CB 3.31Å; V474-A477 PolarHBondContact O-N 2.75Å; V474-L478 HydrophobicContact CG1-CD1 4.09Å; V474-L478 HydrophobicContact CG1-CG 4.37Å; V474-L478 WeakPolarHBondContact O-CG 3.25Å; V474-L478 PolarHBondContact O-N 3.01Å; V474-L790 HydrophobicContact CG2-CD2 4.36Å; V474-L795 HydrophobicContact CG2-CB 4.19Å; V474-L795 HydrophobicContact CG2-CD1 4.16Å; V474-I847 HydrophobicContact CG1-CG1 4.48Å; V474-I847 HydrophobicContact CG1-CG2 3.87Å; V474-I847 HydrophobicContact CG2-CD1 4.25Å |
| 475 | D | 93.3 | Very high | 91.9 | Very high | 69 Ų | 69 | 63.3 Ų | 63.3 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 179.2 | -61.9 | -31.6 | 0 | 0 | 0 | 111.7 | R471 R472 A477 L478 S479 | R471-D475 IonicContact CZ-OD1 2.65Å; R471-D475 IonicContact NE-OD1 2.74Å; R471-D475 PolarHBondContact NE-OD1 3.36Å; R471-D475 IonicContact NE-OD2 3.29Å; R471-D475 IonicContact NH2-OD1 2.65Å; R471-D475 PolarHBondContact NH2-OD1 2.92Å; R471-D475 PolarHBondContact O-N 3.37Å; R472-D475 PolarHBondContact O-N 3.31Å; D475-A477 PolarHBondContact O-N 2.74Å; D475-L478 PolarHBondContact O-N 2.74Å; D475-S479 WeakPolarHBondContact O-CB 3.37Å; D475-S479 PolarHBondContact O-N 2.71Å |
| 476 | E | 94.5 | Very high | 92.4 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 172.8 | -79.3 | 170.1 | -178.9 | 0 | 0 | 112 | R472 V474 S479 | R472-E476 IonicContact CZ-OE1 2.63Å; R472-E476 VanDerWaalsContact CZ-OE1 3.26Å; R472-E476 IonicContact NE-OE1 2.84Å; R472-E476 IonicContact NH1-OE1 3.44Å; R472-E476 PolarHBondContact NH1-OE1 3.38Å; R472-E476 IonicContact NH2-OE1 2.7Å; R472-E476 WeakPolarHBondContact O-CB 3.13Å; R472-E476 VanDerWaalsContact O-CG 3.28Å; R472-E476 WeakPolarHBondContact O-CG 3.44Å; R472-E476 PolarHBondContact O-N 2.92Å; V474-E476 VanDerWaalsContact C-N 3.3Å; V474-E476 PolarHBondContact O-N 3.25Å; E476-S479 PolarHBondContact O-N 2.64Å; E476-S479 PolarHBondContact O-OG 3.47Å |
| 477 | A | 94.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 69 Ų | 69 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K473 V474 D475 S479 L790 | K473-A477 PolarHBondContact O-N 2.93Å; V474-A477 WeakPolarHBondContact O-CB 3.31Å; V474-A477 PolarHBondContact O-N 2.75Å; D475-A477 PolarHBondContact O-N 2.74Å; A477-S479 VanDerWaalsContact C-N 3.34Å; A477-L790 HydrophobicContact CB-CD2 3.96Å |
| 478 | L | 96.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 66 Ų | 66 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.6 | -27.3 | 179.2 | -63.4 | -175.1 | 0 | 0 | 0 | 112.7 | V474 D475 L480 F481 V786 E850 V851 A854 | V474-L478 HydrophobicContact CG1-CD1 4.09Å; V474-L478 HydrophobicContact CG1-CG 4.37Å; V474-L478 WeakPolarHBondContact O-CG 3.25Å; V474-L478 PolarHBondContact O-N 3.01Å; D475-L478 PolarHBondContact O-N 2.74Å; L478-L480 PolarHBondContact O-N 3.13Å; L478-L480 VanDerWaalsContact O-N 3.11Å; L478-F481 PolarHBondContact O-N 2.77Å; L478-V786 HydrophobicContact CD2-CG1 4.49Å; L478-E850 HydrophobicContact CD1-CB 3.95Å; L478-V851 HydrophobicContact CD2-CB 4.28Å; L478-V851 HydrophobicContact CD2-CG2 3.74Å; L478-A854 HydrophobicContact CD2-CB 4.17Å |
| 479 | S | 96.3 | Very high | 94.2 | Very high | 67 Ų | 67 | 63.8 Ų | 63.8 | 47% | 0.469 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59 | -26 | -180 | 77 | 0 | 0 | 0 | 0 | 113.4 | D475 E476 A477 F481 T482 | D475-S479 WeakPolarHBondContact O-CB 3.37Å; D475-S479 PolarHBondContact O-N 2.71Å; E476-S479 PolarHBondContact O-N 2.64Å; E476-S479 PolarHBondContact O-OG 3.47Å; A477-S479 VanDerWaalsContact C-N 3.34Å; S479-F481 PolarHBondContact O-N 2.74Å; S479-T482 WeakPolarHBondContact O-CB 3.5Å; S479-T482 PolarHBondContact O-N 3.3Å; S479-T482 VanDerWaalsContact O-N 3.13Å |
| 480 | L | 96.1 | Very high | 94.7 | Very high | 76 Ų | 76 | 64.7 Ų | 64.7 | 40% | 0.398 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.6 | 176.3 | -61.6 | 177.8 | 0 | 0 | 0 | 113 | L478 T752 Y754 | L478-L480 PolarHBondContact O-N 3.13Å; L478-L480 VanDerWaalsContact O-N 3.11Å; L480-T752 HydrophobicContact CB-CG2 3.84Å; L480-Y754 HydrophobicContact CD1-CE2 4.01Å |
| 481 | F | 97.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 62.3 Ų | 62.3 | 2% | 0.022 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -10.1 | 178.8 | -64.3 | -86.4 | 0 | 0 | 0 | 113.2 | L478 S479 L483 T752 Y754 I782 V786 A854 V855 R858 | L478-F481 PolarHBondContact O-N 2.77Å; S479-F481 PolarHBondContact O-N 2.74Å; F481-L483 PolarHBondContact O-N 3.44Å; F481-T752 HydrophobicContact CE1-CG2 4.36Å; F481-Y754 AromaticContact CE2-CD2 3.7Å; F481-Y754 HydrophobicContact CE2-CD2 3.7Å; F481-Y754 AromaticContact CE2-CE2 3.9Å; F481-Y754 HydrophobicContact CE2-CE2 3.9Å; F481-Y754 AromaticContact CZ-CD2 3.53Å; F481-Y754 HydrophobicContact CZ-CD2 3.53Å; F481-Y754 HydrophobicContact CZ-CE2 4.21Å; F481-Y754 HydrophobicContact CZ-CG 4.27Å; F481-I782 HydrophobicContact CE1-CG2 3.64Å; F481-I782 HydrophobicContact CZ-CG2 3.89Å; F481-V786 HydrophobicContact CE2-CG2 3.71Å; F481-V786 HydrophobicContact CZ-CG2 3.56Å; F481-A854 HydrophobicContact CB-CB 4.15Å; F481-V855 HydrophobicContact CD1-CG2 4.05Å; F481-V855 HydrophobicContact CE1-CG2 3.79Å; F481-V855 HydrophobicContact CZ-CG2 4.12Å; F481-R858 WeakPolarHBondContact O-CG 3.25Å |
| 482 | T | 96.4 | Very high | 95.8 | Very high | 95 Ų | 95 | 59.2 Ų | 59.2 | 58% | 0.583 | 29% | 0.292 | S | S | * | . | trans | -76 | 119.7 | -178 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | S479 | S479-T482 WeakPolarHBondContact O-CB 3.5Å; S479-T482 PolarHBondContact O-N 3.3Å; S479-T482 VanDerWaalsContact O-N 3.13Å | ||
| 483 | L | 96 | Very high | 96.2 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | trans | -101.9 | 115.2 | 172.9 | -57.4 | -179.1 | 0 | 0 | 0 | 110.1 | F481 K487 L488 I750 R858 Q861 M862 | F481-L483 PolarHBondContact O-N 3.44Å; L483-K487 HydrophobicContact CD2-CB 4.25Å; L483-K487 HydrophobicContact CD2-CD 3.92Å; L483-L488 HydrophobicContact CB-CD2 3.85Å; L483-L488 HydrophobicContact CB-CG 4.11Å; L483-L488 HydrophobicContact CD1-CD2 3.75Å; L483-L488 HydrophobicContact CG-CD2 4.46Å; L483-I750 HydrophobicContact CD2-CG2 4.1Å; L483-R858 HydrophobicContact CD1-CG 3.75Å; L483-R858 HydrophobicContact CG-CG 3.98Å; L483-Q861 HydrophobicContact CD1-CB 4.46Å; L483-M862 HydrophobicContact CD1-CG 3.65Å; L483-M862 HydrophobicContact CD1-SD 4.5Å | ||
| 484 | N | 95.8 | Very high | 96.4 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | trans | -77.3 | 171.1 | 169.1 | 72.5 | -2.4 | 0 | 0 | 0 | 110.6 | E486 K487 L488 | N484-E486 PolarHBondContact O-N 3.48Å; N484-E486 PolarHBondContact OD1-N 3.45Å; N484-K487 PolarHBondContact O-N 3.09Å; N484-K487 WeakPolarHBondContact OD1-CB 3.42Å; N484-K487 WeakPolarHBondContact OD1-CG 3.37Å; N484-K487 PolarHBondContact OD1-N 3.05Å; N484-L488 WeakPolarHBondContact O-CG 3.31Å; N484-L488 PolarHBondContact O-N 3.33Å; N484-L488 VanDerWaalsContact O-N 3.12Å | ||
| 485 | Q | 95.2 | Very high | 96.6 | Very high | 117 Ų | 117 | 53.6 Ų | 53.6 | 55% | 0.547 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.2 | -35.5 | -177.6 | -166.8 | 173 | -4.6 | 0 | 0 | 112.9 | L488 Q489 M911 | Q485-L488 PolarHBondContact O-N 2.97Å; Q485-Q489 WeakPolarHBondContact O-CG 3.48Å; Q485-Q489 PolarHBondContact O-N 3.46Å; Q485-M911 HydrophobicContact CG-CE 3.79Å |
| 486 | E | 96.1 | Very high | 96.9 | Very high | 149 Ų | 149 | 52.7 Ų | 52.7 | 70% | 0.696 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.9 | -47.2 | 177.5 | -64.1 | 174.4 | 165.8 | 0 | 0 | 112 | N484 L488 Q489 L490 | N484-E486 PolarHBondContact O-N 3.48Å; N484-E486 PolarHBondContact OD1-N 3.45Å; E486-L488 VanDerWaalsContact C-N 3.31Å; E486-L488 PolarHBondContact O-N 3.43Å; E486-Q489 PolarHBondContact O-N 3.31Å; E486-L490 PolarHBondContact O-N 3.38Å |
| 487 | K | 96.8 | Very high | 97 | Very high | 74 Ų | 74 | 54.3 Ų | 54.3 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 175.6 | -74.7 | -175.9 | 178.5 | -172.2 | 0 | 111.7 | L483 N484 L490 V491 | L483-K487 HydrophobicContact CD2-CB 4.25Å; L483-K487 HydrophobicContact CD2-CD 3.92Å; N484-K487 PolarHBondContact O-N 3.09Å; N484-K487 WeakPolarHBondContact OD1-CB 3.42Å; N484-K487 WeakPolarHBondContact OD1-CG 3.37Å; N484-K487 PolarHBondContact OD1-N 3.05Å; K487-L490 WeakPolarHBondContact O-CB 3.39Å; K487-L490 PolarHBondContact O-N 2.89Å; K487-V491 WeakPolarHBondContact O-CG2 3.3Å; K487-V491 PolarHBondContact O-N 3.12Å |
| 488 | L | 98 | Very high | 97.1 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 176.7 | -64.9 | 174.8 | 0 | 0 | 0 | 112.3 | L483 N484 Q485 E486 L490 V491 K492 Q861 A865 T907 M911 | L483-L488 HydrophobicContact CB-CD2 3.85Å; L483-L488 HydrophobicContact CB-CG 4.11Å; L483-L488 HydrophobicContact CD1-CD2 3.75Å; L483-L488 HydrophobicContact CG-CD2 4.46Å; N484-L488 WeakPolarHBondContact O-CG 3.31Å; N484-L488 PolarHBondContact O-N 3.33Å; N484-L488 VanDerWaalsContact O-N 3.12Å; Q485-L488 PolarHBondContact O-N 2.97Å; E486-L488 VanDerWaalsContact C-N 3.31Å; E486-L488 PolarHBondContact O-N 3.43Å; L488-L490 VanDerWaalsContact C-N 3.29Å; L488-L490 PolarHBondContact O-N 2.9Å; L488-V491 PolarHBondContact O-N 2.9Å; L488-K492 PolarHBondContact O-N 2.79Å; L488-Q861 HydrophobicContact CD2-CB 3.79Å; L488-A865 HydrophobicContact CD2-CB 4.48Å; L488-T907 HydrophobicContact CD1-CG2 4.27Å; L488-M911 HydrophobicContact CB-CE 4.44Å; L488-M911 HydrophobicContact CB-SD 3.64Å |
| 489 | Q | 97.9 | Very high | 97.1 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 173.7 | -71.6 | -63.7 | -17.8 | 0 | 0 | 112 | Q485 E486 K492 S493 M911 | Q485-Q489 WeakPolarHBondContact O-CG 3.48Å; Q485-Q489 PolarHBondContact O-N 3.46Å; E486-Q489 PolarHBondContact O-N 3.31Å; Q489-K492 WeakPolarHBondContact O-CB 3.13Å; Q489-K492 PolarHBondContact O-N 2.99Å; Q489-S493 PolarHBondContact O-N 3.16Å; Q489-M911 HydrophobicContact CG-CE 4.4Å; Q489-M911 HydrophobicContact CG-SD 4.07Å; Q489-M911 VanDerWaalsContact NE2-CE 3.3Å; Q489-M911 PolarHBondContact NE2-SD 3.37Å |
| 490 | L | 97.3 | Very high | 97.1 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 34% | 0.335 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 176.2 | -171.5 | 57.3 | 0 | 0 | 0 | 112.1 | E486 K487 L488 K492 S493 R494 D749 | E486-L490 PolarHBondContact O-N 3.38Å; K487-L490 WeakPolarHBondContact O-CB 3.39Å; K487-L490 PolarHBondContact O-N 2.89Å; L488-L490 VanDerWaalsContact C-N 3.29Å; L488-L490 PolarHBondContact O-N 2.9Å; L490-K492 VanDerWaalsContact C-N 3.33Å; L490-K492 PolarHBondContact O-N 3.3Å; L490-S493 PolarHBondContact O-N 3.09Å; L490-R494 HydrophobicContact CD1-CG 4.48Å; L490-R494 VanDerWaalsContact CG-CZ 3.42Å; L490-R494 WeakPolarHBondContact O-CB 3.24Å; L490-R494 VanDerWaalsContact O-CG 3.29Å; L490-R494 WeakPolarHBondContact O-CG 3.15Å; L490-R494 PolarHBondContact O-N 3.35Å; L490-D749 WeakPolarHBondContact CD2-OD2 3.25Å |
| 491 | V | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.9 | -46.9 | 171.4 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | K487 L488 S493 R494 M495 I750 F770 M862 A865 | K487-V491 WeakPolarHBondContact O-CG2 3.3Å; K487-V491 PolarHBondContact O-N 3.12Å; L488-V491 PolarHBondContact O-N 2.9Å; V491-S493 PolarHBondContact O-N 2.93Å; V491-R494 PolarHBondContact O-N 3.13Å; V491-M495 WeakPolarHBondContact O-CB 3.41Å; V491-M495 PolarHBondContact O-N 3.16Å; V491-I750 HydrophobicContact CG2-CD1 3.34Å; V491-F770 HydrophobicContact CG1-CE2 4.23Å; V491-M862 HydrophobicContact CG2-CE 4.45Å; V491-A865 HydrophobicContact CB-CB 3.97Å; V491-A865 HydrophobicContact CG1-CB 3.76Å |
| 492 | K | 98.4 | Very high | 97 | Very high | 33 Ų | 33 | 51.2 Ų | 51.2 | 14% | 0.143 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 177.9 | -176.2 | -169 | 176.3 | -173 | 0 | 111.8 | L488 Q489 L490 M495 R496 A868 A869 D872 M911 | L488-K492 PolarHBondContact O-N 2.79Å; Q489-K492 WeakPolarHBondContact O-CB 3.13Å; Q489-K492 PolarHBondContact O-N 2.99Å; L490-K492 VanDerWaalsContact C-N 3.33Å; L490-K492 PolarHBondContact O-N 3.3Å; K492-M495 PolarHBondContact O-N 2.9Å; K492-R496 PolarHBondContact O-N 2.86Å; K492-A868 HydrophobicContact CD-CB 4.29Å; K492-A868 HydrophobicContact CG-CB 4.47Å; K492-A869 HydrophobicContact CG-CB 3.84Å; K492-A869 WeakPolarHBondContact O-CB 3.47Å; K492-D872 VanDerWaalsContact CE-OD2 3.31Å; K492-D872 WeakPolarHBondContact CE-OD2 3.26Å; K492-D872 IonicContact NZ-OD2 3.79Å; K492-D872 PolarHBondContact NZ-OD2 2.97Å; K492-M911 HydrophobicContact CD-CB 4.46Å; K492-M911 PolarHBondContact NZ-O 3.3Å |
| 493 | S | 98.2 | Very high | 96.9 | Very high | 55 Ų | 55 | 46.7 Ų | 46.7 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.5 | -49.5 | 178.7 | -166.6 | 0 | 0 | 0 | 0 | 111.6 | Q489 L490 V491 M495 R496 E497 | Q489-S493 PolarHBondContact O-N 3.16Å; L490-S493 PolarHBondContact O-N 3.09Å; V491-S493 PolarHBondContact O-N 2.93Å; S493-M495 VanDerWaalsContact C-N 3.32Å; S493-M495 PolarHBondContact O-N 3.16Å; S493-R496 WeakPolarHBondContact O-CB 3.37Å; S493-R496 PolarHBondContact O-N 3.49Å; S493-R496 VanDerWaalsContact O-N 3.08Å; S493-E497 WeakPolarHBondContact O-CG 3.45Å; S493-E497 PolarHBondContact O-N 3.17Å; S493-E497 PolarHBondContact OG-OE1 3.18Å; S493-E497 VanDerWaalsContact OG-OE1 3.04Å |
| 494 | R | 98 | Very high | 96.8 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 17% | 0.17 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 179.3 | -69.6 | 172.2 | 178.9 | 162.4 | 0.7 | 112.2 | L490 V491 E497 G498 L741 C746 D749 | L490-R494 HydrophobicContact CD1-CG 4.48Å; L490-R494 VanDerWaalsContact CG-CZ 3.42Å; L490-R494 WeakPolarHBondContact O-CB 3.24Å; L490-R494 VanDerWaalsContact O-CG 3.29Å; L490-R494 WeakPolarHBondContact O-CG 3.15Å; L490-R494 PolarHBondContact O-N 3.35Å; V491-R494 PolarHBondContact O-N 3.13Å; R494-E497 PolarHBondContact O-N 3.15Å; R494-G498 PolarHBondContact O-N 2.98Å; R494-L741 HydrophobicContact CB-CD1 4.38Å; R494-C746 WeakPolarHBondContact CD-O 3.4Å; R494-C746 PolarHBondContact NE-O 3.44Å; R494-C746 PolarHBondContact NH1-O 2.94Å; R494-D749 IonicContact CZ-OD1 3.28Å; R494-D749 IonicContact CZ-OD2 3.21Å; R494-D749 IonicContact NH1-OD1 2.66Å; R494-D749 PolarHBondContact NH1-OD1 2.92Å; R494-D749 IonicContact NH1-OD2 2.68Å; R494-D749 PolarHBondContact NH1-OD2 3.46Å; R494-D749 IonicContact NH2-OD1 2.79Å; R494-D749 PolarHBondContact NH2-OD1 3.32Å; R494-D749 IonicContact NH2-OD2 3.18Å; R494-D749 PolarHBondContact NH2-OD2 3.45Å |
| 495 | M | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.3 | -49.1 | 171.4 | -176.8 | 64.7 | 74.7 | 0 | 0 | 110.2 | V491 K492 S493 E497 G498 L499 I510 W738 L741 F770 A869 | V491-M495 WeakPolarHBondContact O-CB 3.41Å; V491-M495 PolarHBondContact O-N 3.16Å; K492-M495 PolarHBondContact O-N 2.9Å; S493-M495 VanDerWaalsContact C-N 3.32Å; S493-M495 PolarHBondContact O-N 3.16Å; M495-E497 PolarHBondContact O-N 3.04Å; M495-G498 PolarHBondContact O-N 3.17Å; M495-L499 HydrophobicContact CG-CD1 4.27Å; M495-L499 HydrophobicContact CG-CG 4.44Å; M495-L499 VanDerWaalsContact O-CG 3.27Å; M495-L499 WeakPolarHBondContact O-CG 3.42Å; M495-L499 PolarHBondContact O-N 2.99Å; M495-I510 HydrophobicContact SD-CD1 3.46Å; M495-I510 WeakPolarHBondContact SD-CD1 3.44Å; M495-W738 HydrophobicContact CE-CB 4.01Å; M495-W738 HydrophobicContact CE-CD2 4.15Å; M495-W738 HydrophobicContact CE-CE3 3.79Å; M495-W738 HydrophobicContact CE-CG 4.3Å; M495-W738 HydrophobicContact SD-CB 4.06Å; M495-W738 HydrophobicContact SD-CE3 4.37Å; M495-L741 HydrophobicContact CB-CD2 4.3Å; M495-L741 HydrophobicContact CE-CD2 3.6Å; M495-L741 HydrophobicContact SD-CD2 4.22Å; M495-F770 HydrophobicContact CE-CD1 4.31Å; M495-F770 HydrophobicContact CE-CE1 3.9Å; M495-F770 HydrophobicContact CE-CE2 4.18Å; M495-F770 HydrophobicContact CE-CZ 3.83Å; M495-A869 HydrophobicContact CB-CB 3.83Å; M495-A869 HydrophobicContact CG-CB 3.76Å |
| 496 | R | 98 | Very high | 95.8 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 19% | 0.185 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 178.4 | -179.1 | 53.2 | 177.1 | -85.5 | -2.3 | 112 | K492 S493 G498 L499 E500 A869 E876 | K492-R496 PolarHBondContact O-N 2.86Å; S493-R496 WeakPolarHBondContact O-CB 3.37Å; S493-R496 PolarHBondContact O-N 3.49Å; S493-R496 VanDerWaalsContact O-N 3.08Å; R496-G498 VanDerWaalsContact C-N 3.32Å; R496-G498 PolarHBondContact O-N 3.07Å; R496-L499 PolarHBondContact O-N 2.88Å; R496-E500 IonicContact CZ-OE1 3.58Å; R496-E500 IonicContact NE-OE1 3.73Å; R496-E500 PolarHBondContact NE-OE1 3.29Å; R496-E500 IonicContact NH2-OE1 3Å; R496-E500 PolarHBondContact NH2-OE1 3.02Å; R496-E500 WeakPolarHBondContact O-CG 3.48Å; R496-E500 PolarHBondContact O-N 3.44Å; R496-A869 HydrophobicContact CB-CB 4.34Å; R496-E876 IonicContact CZ-OE2 3.57Å; R496-E876 IonicContact NH1-OE2 3.67Å; R496-E876 PolarHBondContact NH1-OE2 3.44Å; R496-E876 IonicContact NH2-OE2 3.18Å; R496-E876 PolarHBondContact NH2-OE2 2.85Å |
| 497 | E | 97.1 | Very high | 95.2 | Very high | 118 Ų | 118 | 49.5 Ų | 49.5 | 55% | 0.551 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -58.6 | -43.6 | 176.5 | -72.1 | 164.6 | -145.4 | 0 | 0 | 111.9 | S493 R494 M495 E500 A501 | S493-E497 WeakPolarHBondContact O-CG 3.45Å; S493-E497 PolarHBondContact O-N 3.17Å; S493-E497 PolarHBondContact OG-OE1 3.18Å; S493-E497 VanDerWaalsContact OG-OE1 3.04Å; R494-E497 PolarHBondContact O-N 3.15Å; M495-E497 PolarHBondContact O-N 3.04Å; E497-E500 PolarHBondContact O-N 3.38Å; E497-A501 WeakPolarHBondContact O-CB 3.35Å; E497-A501 PolarHBondContact O-N 3.42Å |
| 498 | G | 96.9 | Very high | 94.8 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | R494 M495 R496 E500 A501 G502 | R494-G498 PolarHBondContact O-N 2.98Å; M495-G498 PolarHBondContact O-N 3.17Å; R496-G498 VanDerWaalsContact C-N 3.32Å; R496-G498 PolarHBondContact O-N 3.07Å; G498-E500 PolarHBondContact O-N 2.91Å; G498-A501 PolarHBondContact O-N 2.92Å; G498-G502 PolarHBondContact O-N 3.08Å |
| 499 | L | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 174.6 | -64.6 | 170.6 | 0 | 0 | 0 | 111 | M495 R496 G502 L503 I510 M512 Y679 T736 V870 K873 | M495-L499 HydrophobicContact CG-CD1 4.27Å; M495-L499 HydrophobicContact CG-CG 4.44Å; M495-L499 VanDerWaalsContact O-CG 3.27Å; M495-L499 WeakPolarHBondContact O-CG 3.42Å; M495-L499 PolarHBondContact O-N 2.99Å; R496-L499 PolarHBondContact O-N 2.88Å; L499-G502 PolarHBondContact O-N 2.92Å; L499-L503 WeakPolarHBondContact O-CG 3.49Å; L499-L503 PolarHBondContact O-N 2.92Å; L499-L503 VanDerWaalsContact O-N 3.1Å; L499-I510 HydrophobicContact CD2-CG2 4.15Å; L499-M512 HydrophobicContact CB-CE 4.33Å; L499-M512 HydrophobicContact CB-SD 4.3Å; L499-M512 HydrophobicContact CD2-CE 3.98Å; L499-M512 HydrophobicContact CD2-SD 3.35Å; L499-M512 WeakPolarHBondContact CD2-SD 3.45Å; L499-M512 HydrophobicContact CG-SD 4.41Å; L499-Y679 HydrophobicContact CD2-CE1 4.5Å; L499-T736 HydrophobicContact CD2-CG2 3.84Å; L499-V870 HydrophobicContact CD1-CG2 3.86Å; L499-K873 HydrophobicContact CB-CD 4.32Å; L499-K873 HydrophobicContact CD1-CD 4.26Å |
| 500 | E | 96.6 | Very high | 94.2 | Very high | 51 Ų | 51 | 44.6 Ų | 44.6 | 24% | 0.238 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | 179.2 | -68.4 | -66.5 | 165.1 | 0 | 0 | 112.7 | R496 E497 G498 G502 K504 K873 | R496-E500 IonicContact CZ-OE1 3.58Å; R496-E500 IonicContact NE-OE1 3.73Å; R496-E500 PolarHBondContact NE-OE1 3.29Å; R496-E500 IonicContact NH2-OE1 3Å; R496-E500 PolarHBondContact NH2-OE1 3.02Å; R496-E500 WeakPolarHBondContact O-CG 3.48Å; R496-E500 PolarHBondContact O-N 3.44Å; E497-E500 PolarHBondContact O-N 3.38Å; G498-E500 PolarHBondContact O-N 2.91Å; E500-G502 VanDerWaalsContact C-N 3.34Å; E500-K504 WeakPolarHBondContact O-CD 3.47Å; E500-K504 WeakPolarHBondContact O-CG 3.24Å; E500-K873 WeakPolarHBondContact OE1-CE 3.47Å; E500-K873 IonicContact OE1-NZ 2.73Å |
| 501 | A | 95.1 | Very high | 94 | Very high | 48 Ų | 48 | 44.7 Ų | 44.7 | 40% | 0.397 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | E497 G498 L503 K504 S505 | E497-A501 WeakPolarHBondContact O-CB 3.35Å; E497-A501 PolarHBondContact O-N 3.42Å; G498-A501 PolarHBondContact O-N 2.92Å; A501-L503 VanDerWaalsContact C-N 3.33Å; A501-L503 PolarHBondContact O-N 3.4Å; A501-K504 PolarHBondContact O-N 3.17Å; A501-K504 VanDerWaalsContact O-N 3.11Å; A501-S505 PolarHBondContact O-N 3.37Å |
| 502 | G | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -40.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G498 L499 E500 K504 I510 K688 | G498-G502 PolarHBondContact O-N 3.08Å; L499-G502 PolarHBondContact O-N 2.92Å; E500-G502 VanDerWaalsContact C-N 3.34Å; G502-K504 VanDerWaalsContact C-N 3.26Å; G502-K504 PolarHBondContact O-N 3.16Å; G502-I510 VanDerWaalsContact CA-O 3.25Å; G502-I510 WeakPolarHBondContact CA-O 3.33Å; G502-K688 WeakPolarHBondContact O-CE 3.21Å; G502-K688 PolarHBondContact O-NZ 3.45Å |
| 503 | L | 95.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67 | -26.1 | 177.8 | -71.7 | 166.6 | 0 | 0 | 0 | 113.6 | L499 A501 M512 E681 N685 I686 K687 K688 | L499-L503 WeakPolarHBondContact O-CG 3.49Å; L499-L503 PolarHBondContact O-N 2.92Å; L499-L503 VanDerWaalsContact O-N 3.1Å; A501-L503 VanDerWaalsContact C-N 3.33Å; A501-L503 PolarHBondContact O-N 3.4Å; L503-M512 HydrophobicContact CD1-CE 3.95Å; L503-M512 HydrophobicContact CD2-CB 4.26Å; L503-M512 HydrophobicContact CD2-CE 3.71Å; L503-M512 HydrophobicContact CG-CB 4.35Å; L503-M512 HydrophobicContact CG-CE 3.63Å; L503-M512 HydrophobicContact CG-CG 4.3Å; L503-E681 HydrophobicContact CD1-CG 4.44Å; L503-E681 WeakPolarHBondContact CD1-OE2 3.44Å; L503-E681 HydrophobicContact CD2-CG 4.05Å; L503-N685 HydrophobicContact CD1-CB 4.43Å; L503-I686 HydrophobicContact CD2-CG1 4.06Å; L503-K687 PolarHBondContact O-N 2.9Å; L503-K688 PolarHBondContact O-N 3.47Å; L503-K688 VanDerWaalsContact O-N 3.13Å |
| 504 | K | 93.6 | Very high | 93.6 | Very high | 99 Ų | 99 | 41 Ų | 41 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -89.6 | -35.3 | -176.2 | -67.1 | 168.6 | -169.6 | 168 | 0 | 113.9 | E500 A501 G502 K687 Q691 | E500-K504 WeakPolarHBondContact O-CD 3.47Å; E500-K504 WeakPolarHBondContact O-CG 3.24Å; A501-K504 PolarHBondContact O-N 3.17Å; A501-K504 VanDerWaalsContact O-N 3.11Å; G502-K504 VanDerWaalsContact C-N 3.26Å; G502-K504 PolarHBondContact O-N 3.16Å; K504-K687 HydrophobicContact CG-CD 4.4Å; K504-Q691 PolarHBondContact O-NE2 2.94Å |
| 505 | S | 89.5 | Confident | 93.4 | Very high | 47 Ų | 47 | 39 Ų | 39 | 33% | 0.329 | 20% | 0.201 | S | C | . | . | trans | -133.5 | 152.4 | -171.2 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | A501 D507 C508 | A501-S505 PolarHBondContact O-N 3.37Å; S505-D507 PolarHBondContact OG-N 3.23Å; S505-D507 VanDerWaalsContact OG-N 3.1Å; S505-C508 PolarHBondContact O-SG 2.82Å | ||
| 506 | K | 80.6 | Confident | 93.2 | Very high | 116 Ų | 116 | 40.4 Ų | 40.4 | 50% | 0.504 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -81.3 | -23.6 | 169.7 | -64.8 | -174.8 | 176.5 | -173.4 | 0 | 112.5 | C508 | K506-C508 PolarHBondContact O-N 2.91Š|
| 507 | D | 83.4 | Confident | 92.9 | Very high | 150 Ų | 150 | 38.5 Ų | 38.5 | 80% | 0.802 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -95.7 | 78.9 | -179.5 | -166.4 | 21.5 | 0 | 0 | 0 | 110.7 | S505 | S505-D507 PolarHBondContact OG-N 3.23Å; S505-D507 VanDerWaalsContact OG-N 3.1Å |
| 508 | C | 88.4 | Confident | 92.6 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 13% | 0.128 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -147.5 | 161.1 | -174.4 | 52.7 | 0 | 0 | 0 | 0 | 110.3 | S505 K506 I510 K511 | S505-C508 PolarHBondContact O-SG 2.82Å; K506-C508 PolarHBondContact O-N 2.91Å; C508-I510 PolarHBondContact SG-O 3.34Å; C508-K511 WeakPolarHBondContact O-CD 3.46Å; C508-K511 WeakPolarHBondContact O-CE 3.25Å; C508-K511 PolarHBondContact O-NZ 3.17Å |
| 509 | T | 89.2 | Confident | 92.1 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -76.8 | -47.5 | 179.4 | 48.6 | 0 | 0 | 0 | 0 | 112 | G740 N743 D744 | T509-G740 WeakPolarHBondContact CB-O 3.21Å; T509-N743 HydrophobicContact CG2-CB 3.88Å; T509-D744 HydrophobicContact CG2-CB 3.68Å |
| 510 | I | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -88.8 | 113.1 | 169.3 | -56.2 | -171.9 | 0 | 0 | 0 | 108.7 | M495 L499 G502 C508 M512 T736 L741 | M495-I510 HydrophobicContact SD-CD1 3.46Å; M495-I510 WeakPolarHBondContact SD-CD1 3.44Å; L499-I510 HydrophobicContact CD2-CG2 4.15Å; G502-I510 VanDerWaalsContact CA-O 3.25Å; G502-I510 WeakPolarHBondContact CA-O 3.33Å; C508-I510 PolarHBondContact SG-O 3.34Å; I510-M512 HydrophobicContact CG2-CG 4.05Å; I510-M512 HydrophobicContact CG2-SD 3.97Å; I510-T736 WeakPolarHBondContact CG2-O 3.35Å; I510-L741 HydrophobicContact CD1-CB 4.06Å; I510-L741 HydrophobicContact CD1-CD1 4.16Å; I510-L741 HydrophobicContact CG1-CB 4.18Å |
| 511 | K | 93.3 | Very high | 91.3 | Very high | 67 Ų | 67 | 39.9 Ų | 39.9 | 29% | 0.291 | 21% | 0.207 | S | C | . | . | trans | -76.8 | -29 | -165.1 | -62.1 | -59.3 | -172.6 | -174.9 | 0 | 114.6 | C508 L513 K688 T736 E737 | C508-K511 WeakPolarHBondContact O-CD 3.46Å; C508-K511 WeakPolarHBondContact O-CE 3.25Å; C508-K511 PolarHBondContact O-NZ 3.17Å; K511-L513 VanDerWaalsContact C-N 3.35Å; K511-L513 HydrophobicContact CB-CD1 4.24Å; K511-L513 HydrophobicContact CB-CD2 3.8Å; K511-L513 HydrophobicContact CB-CG 3.71Å; K511-L513 PolarHBondContact O-N 3.22Å; K511-K688 PolarHBondContact O-NZ 3.47Å; K511-T736 PolarHBondContact N-O 2.97Å; K511-T736 VanDerWaalsContact N-O 3.15Å; K511-E737 HydrophobicContact CB-CB 4.06Å; K511-E737 HydrophobicContact CB-CG 4.42Å; K511-E737 HydrophobicContact CG-CB 4.25Å | ||
| 512 | M | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | 51.2 | 49.8 | 179.5 | -61.7 | -60.6 | -74.5 | 0 | 0 | 113 | L499 L503 I510 P514 Y679 K688 V734 N735 T736 | L499-M512 HydrophobicContact CB-CE 4.33Å; L499-M512 HydrophobicContact CB-SD 4.3Å; L499-M512 HydrophobicContact CD2-CE 3.98Å; L499-M512 HydrophobicContact CD2-SD 3.35Å; L499-M512 WeakPolarHBondContact CD2-SD 3.45Å; L499-M512 HydrophobicContact CG-SD 4.41Å; L503-M512 HydrophobicContact CD1-CE 3.95Å; L503-M512 HydrophobicContact CD2-CB 4.26Å; L503-M512 HydrophobicContact CD2-CE 3.71Å; L503-M512 HydrophobicContact CG-CB 4.35Å; L503-M512 HydrophobicContact CG-CE 3.63Å; L503-M512 HydrophobicContact CG-CG 4.3Å; I510-M512 HydrophobicContact CG2-CG 4.05Å; I510-M512 HydrophobicContact CG2-SD 3.97Å; M512-P514 WeakPolarHBondContact O-CD 3.26Å; M512-Y679 HydrophobicContact CE-CE1 3.69Å; M512-Y679 WeakPolarHBondContact CE-OH 3.16Å; M512-K688 VanDerWaalsContact O-CE 3.25Å; M512-K688 WeakPolarHBondContact O-CE 3.42Å; M512-K688 PolarHBondContact O-NZ 3.48Å; M512-V734 HydrophobicContact CB-CG1 3.86Å; M512-V734 HydrophobicContact CE-CG1 3.72Å; M512-V734 WeakPolarHBondContact O-CG1 3.49Å; M512-V734 HydrophobicContact SD-CG1 4.14Å; M512-N735 CarbonylContact C-O 3.57Å; M512-N735 VanDerWaalsContact C-O 3.3Å; M512-N735 WeakPolarHBondContact CA-O 3.4Å; M512-T736 PolarHBondContact N-O 2.71Å; M512-T736 HydrophobicContact SD-CG2 3.79Å | ||
| 513 | L | 94.7 | Very high | 90.2 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 122.1 | -173.6 | -59.7 | 173.7 | 0 | 0 | 0 | 111.6 | K511 S515 P598 C599 N735 E737 | K511-L513 VanDerWaalsContact C-N 3.35Å; K511-L513 HydrophobicContact CB-CD1 4.24Å; K511-L513 HydrophobicContact CB-CD2 3.8Å; K511-L513 HydrophobicContact CB-CG 3.71Å; K511-L513 PolarHBondContact O-N 3.22Å; L513-S515 PolarHBondContact O-N 3.48Å; L513-P598 HydrophobicContact CD1-CB 4.25Å; L513-C599 WeakPolarHBondContact CD1-O 3.32Å; L513-N735 HydrophobicContact CB-CB 4.36Å; L513-N735 PolarHBondContact N-O 2.89Å; L513-N735 PolarHBondContact O-N 2.93Å; L513-E737 HydrophobicContact CD1-CG 3.68Å; L513-E737 HydrophobicContact CG-CG 4.36Å |
| 514 | P | 95.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 129.7 | 173.9 | -22.5 | 34.8 | 0 | 0 | 0 | 111.5 | M512 F516 I686 K688 L689 M732 | M512-P514 WeakPolarHBondContact O-CD 3.26Å; P514-F516 HydrophobicContact CB-CE2 4.28Å; P514-I686 HydrophobicContact CG-CG2 4.2Å; P514-K688 HydrophobicContact CG-CD 4.45Å; P514-L689 HydrophobicContact CG-CD2 4.1Å; P514-L689 HydrophobicContact CG-CG 4.39Å; P514-M732 HydrophobicContact CB-SD 3.58Å; P514-M732 VanDerWaalsContact CB-SD 3.58Å |
| 515 | S | 93.9 | Very high | 89.3 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | trans | -94.1 | -10 | 179.8 | 69.5 | 0 | 0 | 0 | 0 | 114.8 | L513 V517 I604 C733 | L513-S515 PolarHBondContact O-N 3.48Å; S515-V517 PolarHBondContact O-N 2.82Å; S515-V517 VanDerWaalsContact O-N 3.14Å; S515-V517 PolarHBondContact OG-N 3Å; S515-I604 VanDerWaalsContact O-CD1 3.25Å; S515-I604 WeakPolarHBondContact O-CD1 3.38Å; S515-C733 WeakPolarHBondContact CB-O 3.34Å; S515-C733 PolarHBondContact N-O 3.37Å; S515-C733 VanDerWaalsContact N-O 3.11Å; S515-C733 WeakPolarHBondContact OG-CB 3.38Å; S515-C733 PolarHBondContact OG-O 3.04Å | ||
| 516 | F | 92.9 | Very high | 88.9 | Confident | 31 Ų | 31 | 50 Ų | 50 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | trans | 61.1 | 12.1 | -171 | -61.8 | -98.9 | 0 | 0 | 0 | 115.1 | P514 Y518 Q601 S602 I604 M732 | P514-F516 HydrophobicContact CB-CE2 4.28Å; F516-Y518 HydrophobicContact CB-CE2 4.48Å; F516-Y518 WeakPolarHBondContact O-CD2 3.27Å; F516-Y518 WeakPolarHBondContact O-CE2 3.29Å; F516-Q601 HydrophobicContact CD2-CB 3.77Å; F516-Q601 HydrophobicContact CE2-CB 3.71Å; F516-Q601 WeakPolarHBondContact CE2-O 3.14Å; F516-S602 WeakPolarHBondContact CE1-O 3.39Å; F516-S602 VanDerWaalsContact CZ-C 3.44Å; F516-S602 WeakPolarHBondContact CZ-O 3.25Å; F516-I604 HydrophobicContact CB-CB 4.02Å; F516-I604 HydrophobicContact CB-CD1 4.11Å; F516-M732 HydrophobicContact CD1-CE 4.48Å | ||
| 517 | V | 92.2 | Very high | 89.1 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | trans | -88.2 | 111 | 169 | -178 | 0 | 0 | 0 | 0 | 109.2 | S515 I604 V652 M656 M732 C733 I933 | S515-V517 PolarHBondContact O-N 2.82Å; S515-V517 VanDerWaalsContact O-N 3.14Å; S515-V517 PolarHBondContact OG-N 3Å; V517-I604 HydrophobicContact CG2-CD1 3.79Å; V517-V652 HydrophobicContact CG2-CG1 4.09Å; V517-M656 HydrophobicContact CG1-CE 3.99Å; V517-M656 HydrophobicContact CG1-SD 4.02Å; V517-M732 CarbonylContact O-C 3.56Å; V517-M732 WeakPolarHBondContact O-CA 3.28Å; V517-C733 HydrophobicContact CB-CB 4.15Å; V517-C733 PolarHBondContact O-N 3.03Å; V517-I933 HydrophobicContact CG2-CD1 4.23Å; V517-I933 HydrophobicContact CG2-CG1 4.3Å; V517-I933 HydrophobicContact CG2-CG2 4.01Å | ||
| 518 | Y | 90.8 | Very high | 89.4 | Confident | 67 Ų | 67 | 44.3 Ų | 44.3 | 26% | 0.263 | 23% | 0.234 | S | C | . | . | trans | -94.7 | -20 | -173.1 | -63.7 | -85.4 | 0 | 0 | 0 | 114.7 | F516 M680 L730 K731 M732 | F516-Y518 HydrophobicContact CB-CE2 4.48Å; F516-Y518 WeakPolarHBondContact O-CD2 3.27Å; F516-Y518 WeakPolarHBondContact O-CE2 3.29Å; Y518-M680 WeakPolarHBondContact O-CE 3.16Å; Y518-L730 HydrophobicContact CD1-CD2 3.73Å; Y518-L730 HydrophobicContact CD1-CG 4.24Å; Y518-L730 HydrophobicContact CE1-CD2 4.15Å; Y518-K731 WeakPolarHBondContact CA-O 3.41Å; Y518-K731 WeakPolarHBondContact CD1-O 3.48Å; Y518-M732 HydrophobicContact CD1-CB 4.33Å; Y518-M732 HydrophobicContact CD1-CE 4.17Å; Y518-M732 HydrophobicContact CE1-CB 4.5Å; Y518-M732 HydrophobicContact CE1-CE 3.27Å; Y518-M732 HydrophobicContact CE2-CE 4.46Å; Y518-M732 VanDerWaalsContact CZ-CE 3.46Å; Y518-M732 WeakPolarHBondContact OH-CE 3.09Å | ||
| 519 | H | 86.5 | Confident | 89.5 | Confident | 87 Ų | 87 | 44.3 Ų | 44.3 | 40% | 0.403 | 23% | 0.231 | S | C | . | . | trans | -141.5 | 146.5 | -174.4 | -54.6 | -66.4 | 0 | 0 | 0 | 110.5 | M656 | H519-M656 WeakPolarHBondContact O-CE 3.44Š| ||
| 520 | T | 89.9 | Confident | 89.8 | Confident | 40 Ų | 40 | 42.8 Ų | 42.8 | 25% | 0.245 | 22% | 0.222 | C | C | . | . | trans | -74.9 | 163.3 | 165.5 | 48.5 | 0 | 0 | 0 | 0 | 110.4 | M656 A659 M680 | T520-M656 HydrophobicContact CG2-SD 4.32Å; T520-A659 HydrophobicContact CG2-CB 3.89Å; T520-M680 HydrophobicContact CG2-CG 4.48Å | ||
| 521 | P | 87.9 | Confident | 89.7 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | trans | -59.9 | 143.9 | 176.7 | -20.3 | 34.4 | 0 | 0 | 0 | 111.1 | E525 M656 Y660 L932 | P521-E525 WeakPolarHBondContact CA-OE1 3.43Å; P521-E525 VanDerWaalsContact CB-OE1 3.3Å; P521-E525 WeakPolarHBondContact CB-OE1 3.18Å; P521-M656 VanDerWaalsContact CD-CE 3.49Å; P521-M656 HydrophobicContact CG-CE 3.8Å; P521-M656 HydrophobicContact CG-SD 4.5Å; P521-Y660 HydrophobicContact CB-CD2 3.92Å; P521-L932 HydrophobicContact CG-CB 4.27Å; P521-L932 HydrophobicContact CG-CD1 4.17Å | ||
| 522 | N | 84.9 | Confident | 89.8 | Confident | 116 Ų | 116 | 39.7 Ų | 39.7 | 62% | 0.62 | 21% | 0.208 | S | C | * | . | trans | -116.4 | 1.7 | -178.9 | 69.7 | 3.8 | 0 | 0 | 0 | 113 | T524 E525 | N522-T524 PolarHBondContact ND2-OG1 3.36Å; N522-T524 WeakPolarHBondContact OD1-CB 3.34Å; N522-T524 PolarHBondContact OD1-N 2.95Å; N522-T524 PolarHBondContact OD1-OG1 3.5Å; N522-E525 PolarHBondContact N-OE1 3.26Å; N522-E525 PolarHBondContact OD1-OE1 2.92Å | ||
| 523 | G | 82.4 | Confident | 89.6 | Confident | 31 Ų | 31 | 40.4 Ų | 40.4 | 32% | 0.32 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 89.4 | -5.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E525 R526 | G523-E525 VanDerWaalsContact C-N 3.28Å; G523-E525 VanDerWaalsContact C-OE2 3.24Å; G523-E525 WeakPolarHBondContact CA-OE2 3.5Å; G523-E525 PolarHBondContact N-OE2 3.34Å; G523-R526 PolarHBondContact O-NH1 3.13Å |
| 524 | T | 84.2 | Confident | 89.4 | Confident | 74 Ų | 74 | 40 Ų | 40 | 45% | 0.454 | 21% | 0.21 | S | C | . | . | trans | -81.7 | -7.3 | 175.7 | 66.4 | 0 | 0 | 0 | 0 | 113 | N522 R526 Q939 | N522-T524 PolarHBondContact ND2-OG1 3.36Å; N522-T524 WeakPolarHBondContact OD1-CB 3.34Å; N522-T524 PolarHBondContact OD1-N 2.95Å; N522-T524 PolarHBondContact OD1-OG1 3.5Å; T524-R526 PolarHBondContact O-N 2.85Å; T524-Q939 PolarHBondContact O-NE2 3.48Å; T524-Q939 PolarHBondContact OG1-OE1 2.67Å | ||
| 525 | E | 84 | Confident | 88.4 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 7% | 0.065 | 22% | 0.219 | C | C | . | . | trans | -62.5 | 125.9 | -178.9 | -54.9 | 78.8 | -170.6 | 0 | 0 | 110.4 | P521 N522 G523 L932 A935 V936 | P521-E525 WeakPolarHBondContact CA-OE1 3.43Å; P521-E525 VanDerWaalsContact CB-OE1 3.3Å; P521-E525 WeakPolarHBondContact CB-OE1 3.18Å; N522-E525 PolarHBondContact N-OE1 3.26Å; N522-E525 PolarHBondContact OD1-OE1 2.92Å; G523-E525 VanDerWaalsContact C-N 3.28Å; G523-E525 VanDerWaalsContact C-OE2 3.24Å; G523-E525 WeakPolarHBondContact CA-OE2 3.5Å; G523-E525 PolarHBondContact N-OE2 3.34Å; E525-L932 HydrophobicContact CB-CD2 4.33Å; E525-L932 HydrophobicContact CG-CD2 4.3Å; E525-A935 HydrophobicContact CB-CB 3.84Å; E525-A935 HydrophobicContact CG-CB 4.03Å; E525-V936 HydrophobicContact CG-CG2 3.98Å | ||
| 526 | R | 81.4 | Confident | 87.5 | Confident | 173 Ų | 173 | 41.5 Ų | 41.5 | 65% | 0.653 | 23% | 0.226 | S | C | * | . | trans | -143.4 | 135.5 | 179.1 | -63.8 | -67.5 | -178.3 | -89.6 | -2.5 | 108.7 | G523 T524 Y529 | G523-R526 PolarHBondContact O-NH1 3.13Å; T524-R526 PolarHBondContact O-N 2.85Å; R526-Y529 PolarHBondContact O-OH 2.66Å | ||
| 527 | G | 85.6 | Confident | 86.6 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 51% | 0.505 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 151.7 | -171.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 528 | K | 89.3 | Confident | 86.3 | Confident | 97 Ų | 97 | 46.5 Ų | 46.5 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | trans | -116.5 | 117.5 | 171.7 | -56.5 | 176.5 | -174.6 | 177.7 | 0 | 107.2 | R545 L589 | K528-R545 HydrophobicContact CB-CG 4.33Å; K528-R545 VanDerWaalsContact CD-CZ 3.5Å; K528-R545 HydrophobicContact CG-CG 3.96Å; K528-R545 VanDerWaalsContact NZ-NH2 3.16Å; K528-L589 HydrophobicContact CB-CD2 4.17Å | ||
| 529 | Y | 91.8 | Very high | 86.3 | Confident | 18 Ų | 18 | 43.3 Ų | 43.3 | 7% | 0.071 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 140.9 | -175 | -63.8 | -83.7 | 0 | 0 | 0 | 109.6 | R526 V544 P590 A934 A935 Q938 | R526-Y529 PolarHBondContact O-OH 2.66Å; Y529-V544 PolarHBondContact N-O 3.42Å; Y529-V544 VanDerWaalsContact N-O 3.12Å; Y529-V544 PolarHBondContact O-N 3.07Å; Y529-P590 HydrophobicContact CD1-CB 3.97Å; Y529-P590 HydrophobicContact CD1-CG 3.49Å; Y529-P590 VanDerWaalsContact CD1-CG 3.49Å; Y529-P590 HydrophobicContact CE1-CB 4.11Å; Y529-P590 HydrophobicContact CE1-CG 3.57Å; Y529-P590 HydrophobicContact CG-CG 4.47Å; Y529-A934 HydrophobicContact CD1-CB 3.75Å; Y529-A934 HydrophobicContact CE1-CB 4.38Å; Y529-A934 HydrophobicContact CG-CB 4.49Å; Y529-A935 HydrophobicContact CD1-CB 4.42Å; Y529-A935 HydrophobicContact CD2-CB 4.01Å; Y529-A935 VanDerWaalsContact CE1-CA 3.48Å; Y529-A935 HydrophobicContact CE1-CB 3.91Å; Y529-A935 HydrophobicContact CE2-CB 3.43Å; Y529-A935 VanDerWaalsContact CE2-CB 3.43Å; Y529-A935 HydrophobicContact CG-CB 4.48Å; Y529-A935 VanDerWaalsContact CZ-CB 3.41Å; Y529-Q938 PolarHBondContact OH-OE1 3.38Å |
| 530 | L | 93.7 | Very high | 86.6 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 145.6 | 167.7 | -70.8 | 164.7 | 0 | 0 | 0 | 109.4 | M542 L543 F578 L579 L589 P590 A591 G592 L642 | L530-M542 CarbonylContact C-O 3.49Å; L530-M542 VanDerWaalsContact CA-O 3.24Å; L530-M542 WeakPolarHBondContact CA-O 3.43Å; L530-M542 WeakPolarHBondContact CD2-O 3.3Å; L530-L543 HydrophobicContact CD2-CB 4.16Å; L530-L543 HydrophobicContact CD2-CD1 3.87Å; L530-L543 HydrophobicContact CG-CD1 4.32Å; L530-F578 HydrophobicContact CD2-CD1 4.25Å; L530-F578 HydrophobicContact CD2-CE1 3.86Å; L530-L579 HydrophobicContact CD1-CD2 3.74Å; L530-L579 HydrophobicContact CD2-CD2 4.29Å; L530-L589 HydrophobicContact CD1-CB 3.67Å; L530-L589 HydrophobicContact CD1-CD1 3.88Å; L530-L589 HydrophobicContact CD1-CG 4.41Å; L530-L589 HydrophobicContact CG-CB 4.17Å; L530-L589 HydrophobicContact CG-CD1 4.09Å; L530-P590 PolarHBondContact N-O 2.96Å; L530-A591 HydrophobicContact CB-CB 3.89Å; L530-A591 CarbonylContact O-C 3.52Å; L530-A591 VanDerWaalsContact O-CA 3.27Å; L530-A591 WeakPolarHBondContact O-CA 3.3Å; L530-G592 PolarHBondContact O-N 3.23Å; L530-L642 HydrophobicContact CD1-CD1 3.31Å |
| 531 | A | 93.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | M542 G592 G927 A930 A931 | A531-M542 HydrophobicContact CB-CB 4.12Å; A531-M542 HydrophobicContact CB-CE 3.93Å; A531-M542 PolarHBondContact N-O 3.09Å; A531-M542 WeakPolarHBondContact O-CB 3.38Å; A531-M542 PolarHBondContact O-N 3.28Å; A531-G592 WeakPolarHBondContact CA-O 3.41Å; A531-G927 WeakPolarHBondContact CB-O 3.4Å; A531-A930 HydrophobicContact CB-CB 4.05Å; A531-A931 HydrophobicContact CB-CB 4.3Å |
| 532 | L | 94.8 | Very high | 87 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.1 | 177.1 | -54.5 | -174.4 | 0 | 0 | 0 | 107.1 | F539 R540 A541 V575 G592 F593 T594 L630 L642 | L532-F539 HydrophobicContact CB-CE2 3.92Å; L532-F539 HydrophobicContact CB-CZ 3.89Å; L532-F539 HydrophobicContact CD1-CZ 4.49Å; L532-F539 HydrophobicContact CD2-CZ 4.07Å; L532-F539 HydrophobicContact CG-CZ 4.37Å; L532-R540 CarbonylContact C-O 3.48Å; L532-A541 HydrophobicContact CD2-CB 4.25Å; L532-V575 HydrophobicContact CD1-CG2 3.85Å; L532-V575 HydrophobicContact CD2-CG1 4.48Å; L532-V575 HydrophobicContact CD2-CG2 3.6Å; L532-V575 HydrophobicContact CG-CG2 4.36Å; L532-G592 PolarHBondContact N-O 3.08Å; L532-F593 HydrophobicContact CB-CD2 3.83Å; L532-F593 HydrophobicContact CB-CE2 4.48Å; L532-F593 CarbonylContact O-C 3.59Å; L532-T594 WeakPolarHBondContact O-CA 3.37Å; L532-T594 WeakPolarHBondContact O-CB 3.28Å; L532-T594 PolarHBondContact O-N 3.37Å; L532-L630 HydrophobicContact CD1-CD2 3.83Å; L532-L642 HydrophobicContact CD1-CD2 3.91Å |
| 533 | D | 92.7 | Very high | 87.3 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 109.3 | -173.2 | 175.8 | 32.9 | 0 | 0 | 0 | 111.3 | F539 R540 M542 T594 S926 | D533-F539 CarbonylContact O-C 3.58Å; D533-F539 WeakPolarHBondContact O-CA 3.4Å; D533-F539 VanDerWaalsContact O-CD2 3.29Å; D533-F539 WeakPolarHBondContact O-CD2 3.45Å; D533-R540 HydrophobicContact CB-CB 4.24Å; D533-R540 PolarHBondContact N-O 3.09Å; D533-R540 PolarHBondContact O-N 3.2Å; D533-M542 HydrophobicContact CB-CE 3.5Å; D533-M542 VanDerWaalsContact CB-CE 3.5Å; D533-T594 WeakPolarHBondContact OD1-CG2 3.33Å; D533-S926 PolarHBondContact OD1-OG 2.97Å; D533-S926 PolarHBondContact OD2-OG 3.29Å |
| 534 | L | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 105.5 | 177.5 | -178.7 | 62.2 | 0 | 0 | 0 | 109.7 | F539 I555 L571 F593 T594 F595 S596 F597 F616 | L534-F539 HydrophobicContact CB-CD2 3.97Å; L534-F539 HydrophobicContact CB-CE2 4.41Å; L534-F539 HydrophobicContact CD1-CB 4.48Å; L534-F539 HydrophobicContact CD1-CD2 4.38Å; L534-I555 HydrophobicContact CD1-CD1 3.27Å; L534-L571 HydrophobicContact CD1-CD2 4.23Å; L534-L571 HydrophobicContact CD2-CD1 3.73Å; L534-L571 HydrophobicContact CD2-CD2 4.18Å; L534-F593 HydrophobicContact CB-CE2 4.18Å; L534-T594 PolarHBondContact N-O 3.18Å; L534-F595 HydrophobicContact CB-CD2 4.43Å; L534-F595 HydrophobicContact CD2-CD2 3.81Å; L534-F595 HydrophobicContact CD2-CE2 3.65Å; L534-F595 HydrophobicContact CG-CD2 4.43Å; L534-S596 PolarHBondContact O-N 3.37Å; L534-S596 PolarHBondContact O-OG 3.22Å; L534-F597 HydrophobicContact CG-CE2 4.31Å; L534-F616 HydrophobicContact CD1-CE1 4.39Å; L534-F616 HydrophobicContact CD1-CZ 4.03Å |
| 535 | G | 72.9 | Confident | 87.3 | Confident | 18 Ų | 18 | 36.6 Ų | 36.6 | 19% | 0.186 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -143.3 | -2.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | S596 K614 | G535-S596 WeakPolarHBondContact CA-OG 3.32Å; G535-K614 PolarHBondContact O-NZ 3.22Å |
| 536 | G | 75.6 | Confident | 86.6 | Confident | 17 Ų | 17 | 42 Ų | 42 | 18% | 0.175 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -162.7 | -150.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | N538 F616 | G536-N538 PolarHBondContact O-N 3.15Å; G536-N538 VanDerWaalsContact O-N 3.16Å; G536-F616 WeakPolarHBondContact O-CE2 3.48Å; G536-F616 WeakPolarHBondContact O-CZ 3.39Å |
| 537 | T | 74.1 | Confident | 86.2 | Confident | 80 Ų | 80 | 42.4 Ų | 42.4 | 49% | 0.491 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -69.7 | -7.2 | 179.4 | 51.2 | 0 | 0 | 0 | 0 | 114.4 | I555 M560 | T537-I555 PolarHBondContact O-N 2.63Å; T537-M560 HydrophobicContact CG2-CE 4.04Å; T537-M560 HydrophobicContact CG2-SD 3.93Å |
| 538 | N | 85.1 | Confident | 86 | Confident | 65 Ų | 65 | 42.2 Ų | 42.2 | 35% | 0.348 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 129.5 | 178.3 | -66.7 | -53.1 | 0 | 0 | 0 | 109.9 | G536 I552 Y553 | G536-N538 PolarHBondContact O-N 3.15Å; G536-N538 VanDerWaalsContact O-N 3.16Å; N538-I552 HydrophobicContact CB-CG2 3.82Å; N538-Y553 CarbonylContact C-O 3.51Å; N538-Y553 WeakPolarHBondContact CA-O 3.43Å |
| 539 | F | 91.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 138.8 | 165.8 | 177.3 | -116.9 | 0 | 0 | 0 | 109.5 | L532 D533 L534 A541 Y553 I555 L571 C574 V575 | L532-F539 HydrophobicContact CB-CE2 3.92Å; L532-F539 HydrophobicContact CB-CZ 3.89Å; L532-F539 HydrophobicContact CD1-CZ 4.49Å; L532-F539 HydrophobicContact CD2-CZ 4.07Å; L532-F539 HydrophobicContact CG-CZ 4.37Å; D533-F539 CarbonylContact O-C 3.58Å; D533-F539 WeakPolarHBondContact O-CA 3.4Å; D533-F539 VanDerWaalsContact O-CD2 3.29Å; D533-F539 WeakPolarHBondContact O-CD2 3.45Å; L534-F539 HydrophobicContact CB-CD2 3.97Å; L534-F539 HydrophobicContact CB-CE2 4.41Å; L534-F539 HydrophobicContact CD1-CB 4.48Å; L534-F539 HydrophobicContact CD1-CD2 4.38Å; F539-A541 HydrophobicContact CE1-CB 4.45Å; F539-Y553 HydrophobicContact CD1-CD2 4.11Å; F539-Y553 PolarHBondContact N-O 3.01Å; F539-Y553 PolarHBondContact O-N 2.92Å; F539-I555 HydrophobicContact CB-CD1 4.03Å; F539-I555 HydrophobicContact CB-CG1 4.17Å; F539-L571 HydrophobicContact CB-CD2 4.11Å; F539-L571 HydrophobicContact CD1-CD2 4.08Å; F539-L571 HydrophobicContact CD2-CD2 3.64Å; F539-L571 HydrophobicContact CE1-CD2 4.38Å; F539-L571 HydrophobicContact CE2-CD2 3.96Å; F539-L571 HydrophobicContact CG-CD2 3.68Å; F539-L571 HydrophobicContact CZ-CD2 4.31Å; F539-C574 HydrophobicContact CD1-CB 3.55Å; F539-C574 HydrophobicContact CE1-CB 3.66Å; F539-V575 HydrophobicContact CE1-CG2 3.97Å; F539-V575 HydrophobicContact CZ-CG2 3.92Å |
| 540 | R | 92.2 | Very high | 85.8 | Confident | 89 Ų | 89 | 46.6 Ų | 46.6 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.3 | 176.4 | -53.6 | 180 | 175.5 | 164.4 | -2.3 | 110 | L532 D533 M542 K551 I552 | L532-R540 CarbonylContact C-O 3.48Å; D533-R540 HydrophobicContact CB-CB 4.24Å; D533-R540 PolarHBondContact N-O 3.09Å; D533-R540 PolarHBondContact O-N 3.2Å; R540-M542 HydrophobicContact CB-CE 4.26Å; R540-K551 WeakPolarHBondContact CA-O 3.48Å; R540-I552 HydrophobicContact CG-CG1 4.14Å; R540-I552 HydrophobicContact CG-CG2 4.43Å |
| 541 | A | 93.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | L532 F539 H550 K551 Y553 F578 | L532-A541 HydrophobicContact CD2-CB 4.25Å; F539-A541 HydrophobicContact CE1-CB 4.45Å; A541-H550 CarbonylContact O-C 3.56Å; A541-H550 VanDerWaalsContact O-CA 3.28Å; A541-H550 WeakPolarHBondContact O-CA 3.31Å; A541-K551 PolarHBondContact N-O 2.95Å; A541-K551 PolarHBondContact O-N 2.84Å; A541-Y553 HydrophobicContact CB-CE2 4.09Å; A541-F578 HydrophobicContact CB-CB 3.66Å; A541-F578 HydrophobicContact CB-CD1 3.61Å; A541-F578 HydrophobicContact CB-CD2 4.17Å; A541-F578 HydrophobicContact CB-CE1 4.28Å; A541-F578 HydrophobicContact CB-CG 3.53Å; A541-F578 WeakPolarHBondContact O-CE2 3.4Å |
| 542 | M | 92.8 | Very high | 85.6 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 141 | -171 | -64.7 | 173.8 | -80.2 | 0 | 0 | 110.6 | L530 A531 D533 R540 L548 Y549 H550 | L530-M542 CarbonylContact C-O 3.49Å; L530-M542 VanDerWaalsContact CA-O 3.24Å; L530-M542 WeakPolarHBondContact CA-O 3.43Å; L530-M542 WeakPolarHBondContact CD2-O 3.3Å; A531-M542 HydrophobicContact CB-CB 4.12Å; A531-M542 HydrophobicContact CB-CE 3.93Å; A531-M542 PolarHBondContact N-O 3.09Å; A531-M542 WeakPolarHBondContact O-CB 3.38Å; A531-M542 PolarHBondContact O-N 3.28Å; D533-M542 HydrophobicContact CB-CE 3.5Å; D533-M542 VanDerWaalsContact CB-CE 3.5Å; R540-M542 HydrophobicContact CB-CE 4.26Å; M542-L548 HydrophobicContact CB-CD1 4.3Å; M542-Y549 CarbonylContact C-O 3.59Å; M542-Y549 VanDerWaalsContact CA-O 3.24Å; M542-Y549 WeakPolarHBondContact CA-O 3.48Å; M542-H550 HydrophobicContact CB-CB 4.37Å; M542-H550 HydrophobicContact CG-CB 3.53Å |
| 543 | L | 91.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 117.4 | 168 | 179.6 | 72.2 | 0 | 0 | 0 | 108.4 | L530 R545 Y549 F578 M582 L584 L589 | L530-L543 HydrophobicContact CD2-CB 4.16Å; L530-L543 HydrophobicContact CD2-CD1 3.87Å; L530-L543 HydrophobicContact CG-CD1 4.32Å; L543-R545 HydrophobicContact CD2-CG 4.3Å; L543-R545 HydrophobicContact CG-CG 4.21Å; L543-Y549 PolarHBondContact N-O 3.02Å; L543-Y549 PolarHBondContact O-N 3.09Å; L543-F578 HydrophobicContact CB-CE1 4.03Å; L543-F578 HydrophobicContact CB-CZ 4.06Å; L543-M582 HydrophobicContact CB-CE 4.34Å; L543-M582 HydrophobicContact CD2-CE 3.53Å; L543-L584 HydrophobicContact CD1-CD1 4.15Å; L543-L584 HydrophobicContact CD2-CD1 3.59Å; L543-L584 HydrophobicContact CG-CD1 4.49Å; L543-L589 HydrophobicContact CD1-CD1 4.18Å |
| 544 | V | 85.7 | Confident | 85.5 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 119.9 | 177.6 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | Y529 L548 A931 | Y529-V544 PolarHBondContact N-O 3.42Å; Y529-V544 VanDerWaalsContact N-O 3.12Å; Y529-V544 PolarHBondContact O-N 3.07Å; V544-L548 HydrophobicContact CG2-CD1 3.7Å; V544-A931 HydrophobicContact CB-CB 3.55Å; V544-A931 HydrophobicContact CG1-CB 4.03Å; V544-A931 HydrophobicContact CG2-CB 3.27Å |
| 545 | R | 81.4 | Confident | 85.5 | Confident | 100 Ų | 100 | 58.9 Ų | 58.9 | 38% | 0.377 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -134.7 | -150.8 | 171.7 | -65 | -159.5 | -175.4 | -178.9 | -146.4 | 109 | K528 L543 R547 | K528-R545 HydrophobicContact CB-CG 4.33Å; K528-R545 VanDerWaalsContact CD-CZ 3.5Å; K528-R545 HydrophobicContact CG-CG 3.96Å; K528-R545 VanDerWaalsContact NZ-NH2 3.16Å; L543-R545 HydrophobicContact CD2-CG 4.3Å; L543-R545 HydrophobicContact CG-CG 4.21Å; R545-R547 PolarHBondContact N-O 3.2Å; R545-R547 VanDerWaalsContact N-O 3.14Å; R545-R547 PolarHBondContact O-N 3.09Å; R545-R547 VanDerWaalsContact O-N 3.12Å |
| 546 | S | 68.6 | Low | 86.4 | Confident | 129 Ų | 129 | 60.4 Ų | 60.4 | 90% | 0.902 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -57.6 | -15.2 | 162.2 | 61.1 | 0 | 0 | 0 | 0 | 114 | ||
| 547 | R | 73.4 | Confident | 86.9 | Confident | 181 Ų | 181 | 64.7 Ų | 64.7 | 68% | 0.683 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -136.1 | 149.2 | 169.8 | -69.3 | -175.4 | 177.5 | -175.5 | -1.3 | 108.9 | R545 Y549 | R545-R547 PolarHBondContact N-O 3.2Å; R545-R547 VanDerWaalsContact N-O 3.14Å; R545-R547 PolarHBondContact O-N 3.09Å; R545-R547 VanDerWaalsContact O-N 3.12Å; R547-Y549 HydrophobicContact CB-CE2 3.88Å |
| 548 | L | 81.4 | Confident | 87.8 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 128.2 | 173.7 | -179.5 | 68.5 | 0 | 0 | 0 | 110.2 | M542 V544 E924 | M542-L548 HydrophobicContact CB-CD1 4.3Å; V544-L548 HydrophobicContact CG2-CD1 3.7Å; L548-E924 HydrophobicContact CD2-CB 3.79Å; L548-E924 HydrophobicContact CD2-CG 3.77Å |
| 549 | Y | 87.6 | Confident | 88.2 | Confident | 104 Ų | 104 | 67 Ų | 67 | 41% | 0.408 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 137.6 | 170.1 | -62.3 | -92.1 | 0 | 0 | 0 | 108.7 | M542 L543 R547 M582 | M542-Y549 CarbonylContact C-O 3.59Å; M542-Y549 VanDerWaalsContact CA-O 3.24Å; M542-Y549 WeakPolarHBondContact CA-O 3.48Å; L543-Y549 PolarHBondContact N-O 3.02Å; L543-Y549 PolarHBondContact O-N 3.09Å; R547-Y549 HydrophobicContact CB-CE2 3.88Å; Y549-M582 HydrophobicContact CD1-CE 4.04Å; Y549-M582 HydrophobicContact CD2-CE 3.98Å; Y549-M582 HydrophobicContact CG-CE 3.62Å; Y549-M582 HydrophobicContact CG-SD 4.47Å |
| 550 | H | 90.1 | Very high | 88.1 | Confident | 104 Ų | 104 | 67.4 Ų | 67.4 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 157.1 | -179.7 | 73.1 | -91.8 | 0 | 0 | 0 | 112.7 | A541 M542 | A541-H550 CarbonylContact O-C 3.56Å; A541-H550 VanDerWaalsContact O-CA 3.28Å; A541-H550 WeakPolarHBondContact O-CA 3.31Å; M542-H550 HydrophobicContact CB-CB 4.37Å; M542-H550 HydrophobicContact CG-CB 3.53Å |
| 551 | K | 92.1 | Very high | 88 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 28% | 0.283 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 138.4 | 169 | -170.8 | 162.5 | 168.4 | -170.4 | 0 | 109.4 | R540 A541 Y553 D577 F578 | R540-K551 WeakPolarHBondContact CA-O 3.48Å; A541-K551 PolarHBondContact N-O 2.95Å; A541-K551 PolarHBondContact O-N 2.84Å; K551-Y553 HydrophobicContact CB-CE2 3.89Å; K551-Y553 HydrophobicContact CD-CE1 4.37Å; K551-Y553 HydrophobicContact CD-CE2 4.42Å; K551-Y553 VanDerWaalsContact CD-OH 3.26Å; K551-Y553 WeakPolarHBondContact CD-OH 3.3Å; K551-Y553 HydrophobicContact CG-CE1 4.39Å; K551-Y553 HydrophobicContact CG-CE2 3.88Å; K551-D577 VanDerWaalsContact CE-OD2 3.31Å; K551-D577 WeakPolarHBondContact CE-OD2 3.37Å; K551-D577 IonicContact NZ-OD1 3.58Å; K551-D577 IonicContact NZ-OD2 3.53Å; K551-D577 PolarHBondContact NZ-OD2 3.39Å; K551-F578 HydrophobicContact CB-CD2 3.61Å; K551-F578 HydrophobicContact CB-CE2 3.99Å |
| 552 | I | 91.4 | Very high | 88 | Confident | 81 Ų | 81 | 68.7 Ų | 68.7 | 42% | 0.415 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135 | -178.9 | -52.2 | -176.3 | 0 | 0 | 0 | 108.6 | N538 R540 | N538-I552 HydrophobicContact CB-CG2 3.82Å; R540-I552 HydrophobicContact CG-CG1 4.14Å; R540-I552 HydrophobicContact CG-CG2 4.43Å |
| 553 | Y | 93.5 | Very high | 88.2 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 10% | 0.102 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125 | 178.5 | -60.2 | -90.6 | 0 | 0 | 0 | 109.1 | N538 F539 A541 K551 C574 D577 F578 | N538-Y553 CarbonylContact C-O 3.51Å; N538-Y553 WeakPolarHBondContact CA-O 3.43Å; F539-Y553 HydrophobicContact CD1-CD2 4.11Å; F539-Y553 PolarHBondContact N-O 3.01Å; F539-Y553 PolarHBondContact O-N 2.92Å; A541-Y553 HydrophobicContact CB-CE2 4.09Å; K551-Y553 HydrophobicContact CB-CE2 3.89Å; K551-Y553 HydrophobicContact CD-CE1 4.37Å; K551-Y553 HydrophobicContact CD-CE2 4.42Å; K551-Y553 VanDerWaalsContact CD-OH 3.26Å; K551-Y553 WeakPolarHBondContact CD-OH 3.3Å; K551-Y553 HydrophobicContact CG-CE1 4.39Å; K551-Y553 HydrophobicContact CG-CE2 3.88Å; Y553-C574 VanDerWaalsContact CB-SG 3.55Å; Y553-C574 HydrophobicContact CD1-CB 3.79Å; Y553-C574 VanDerWaalsContact CD1-SG 3.59Å; Y553-C574 HydrophobicContact CD2-CB 3.8Å; Y553-C574 HydrophobicContact CE1-CB 4.09Å; Y553-C574 HydrophobicContact CE2-CB 4.11Å; Y553-C574 HydrophobicContact CG-CB 3.64Å; Y553-C574 VanDerWaalsContact CG-SG 3.56Å; Y553-C574 VanDerWaalsContact CZ-O 3.3Å; Y553-C574 PolarHBondContact OH-O 3.01Å; Y553-D577 HydrophobicContact CE1-CB 4.24Å; Y553-D577 WeakPolarHBondContact CE1-OD2 3.36Å; Y553-D577 VanDerWaalsContact CZ-OD2 3.29Å; Y553-D577 PolarHBondContact OH-OD2 3.03Å; Y553-F578 HydrophobicContact CE2-CB 4.39Å; Y553-F578 WeakPolarHBondContact OH-CA 3.36Å; Y553-F578 WeakPolarHBondContact OH-CB 3.49Å; Y553-F578 PolarHBondContact OH-N 3.11Å; Y553-F578 VanDerWaalsContact OH-N 3.12Å |
| 554 | T | 90.8 | Very high | 88.4 | Confident | 99 Ų | 99 | 70.9 Ų | 70.9 | 61% | 0.607 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 138.1 | 172.8 | -54.6 | 0 | 0 | 0 | 0 | 109.6 | H570 | T554-H570 PolarHBondContact O-NE2 2.77Å |
| 555 | I | 91.6 | Very high | 88.9 | Confident | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -101.1 | 117.3 | 174.5 | -48.8 | 177.8 | 0 | 0 | 0 | 107.6 | L534 T537 F539 I559 M560 L567 L571 F616 | L534-I555 HydrophobicContact CD1-CD1 3.27Å; T537-I555 PolarHBondContact O-N 2.63Å; F539-I555 HydrophobicContact CB-CD1 4.03Å; F539-I555 HydrophobicContact CB-CG1 4.17Å; I555-I559 HydrophobicContact CG2-CB 4.06Å; I555-I559 HydrophobicContact CG2-CG2 3.9Å; I555-M560 HydrophobicContact CB-CG 4.1Å; I555-M560 HydrophobicContact CG2-CG 3.63Å; I555-L567 HydrophobicContact CG2-CD1 4.25Å; I555-L571 HydrophobicContact CD1-CD2 4.4Å; I555-F616 HydrophobicContact CD1-CZ 4.25Å |
| 556 | P | 90.8 | Very high | 89.6 | Confident | 51 Ų | 51 | 75 Ų | 75 | 33% | 0.331 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 146.1 | 175.6 | -23 | 33.6 | 0 | 0 | 0 | 111.6 | E558 I559 M560 | P556-E558 HydrophobicContact CB-CG 3.91Å; P556-E558 PolarHBondContact O-N 3.35Å; P556-I559 HydrophobicContact CB-CG1 4.09Å; P556-I559 HydrophobicContact CG-CG1 4.1Å; P556-I559 WeakPolarHBondContact O-CA 3.44Å; P556-I559 WeakPolarHBondContact O-CB 3.48Å; P556-I559 PolarHBondContact O-N 3.26Å; P556-M560 PolarHBondContact O-N 3.07Å |
| 557 | L | 86.4 | Confident | 91 | Very high | 107 Ų | 107 | 68.9 Ų | 68.9 | 56% | 0.56 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.2 | -38.3 | -179.3 | -176.1 | 64.6 | 0 | 0 | 0 | 112.3 | I559 M560 Q561 | L557-I559 PolarHBondContact O-N 2.95Å; L557-M560 PolarHBondContact O-N 2.99Å; L557-M560 VanDerWaalsContact O-N 3.16Å; L557-Q561 HydrophobicContact CD1-CG 4.25Å; L557-Q561 PolarHBondContact O-N 2.8Å |
| 558 | E | 92.1 | Very high | 92.1 | Very high | 157 Ų | 157 | 60.3 Ų | 60.3 | 73% | 0.734 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.9 | -29.4 | 175.1 | 31.7 | -175.8 | 179.9 | 0 | 0 | 112.6 | P556 G562 | P556-E558 HydrophobicContact CB-CG 3.91Å; P556-E558 PolarHBondContact O-N 3.35Å; E558-G562 VanDerWaalsContact O-CA 3.29Å; E558-G562 WeakPolarHBondContact O-CA 3.34Å; E558-G562 PolarHBondContact O-N 3.24Å |
| 559 | I | 94 | Very high | 92.8 | Very high | 37 Ų | 37 | 60.6 Ų | 60.6 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -80.7 | -39.9 | 172 | -59.7 | -62.9 | 0 | 0 | 0 | 111.1 | I555 P556 L557 Q561 G562 E566 L567 H570 | I555-I559 HydrophobicContact CG2-CB 4.06Å; I555-I559 HydrophobicContact CG2-CG2 3.9Å; P556-I559 HydrophobicContact CB-CG1 4.09Å; P556-I559 HydrophobicContact CG-CG1 4.1Å; P556-I559 WeakPolarHBondContact O-CA 3.44Å; P556-I559 WeakPolarHBondContact O-CB 3.48Å; P556-I559 PolarHBondContact O-N 3.26Å; L557-I559 PolarHBondContact O-N 2.95Å; I559-Q561 PolarHBondContact O-N 2.96Å; I559-G562 PolarHBondContact O-N 3.12Å; I559-E566 HydrophobicContact CD1-CB 4.32Å; I559-L567 HydrophobicContact CG2-CB 4.31Å; I559-L567 HydrophobicContact CG2-CD1 3.97Å; I559-H570 HydrophobicContact CG2-CB 4.01Å |
| 560 | M | 90.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 3% | 0.034 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -24.8 | 177.1 | -65.1 | 172.7 | 60.3 | 0 | 0 | 113.4 | T537 I555 P556 L557 F616 K617 A618 | T537-M560 HydrophobicContact CG2-CE 4.04Å; T537-M560 HydrophobicContact CG2-SD 3.93Å; I555-M560 HydrophobicContact CB-CG 4.1Å; I555-M560 HydrophobicContact CG2-CG 3.63Å; P556-M560 PolarHBondContact O-N 3.07Å; L557-M560 PolarHBondContact O-N 2.99Å; L557-M560 VanDerWaalsContact O-N 3.16Å; M560-F616 HydrophobicContact CB-CD1 4.19Å; M560-F616 HydrophobicContact CB-CE1 4.24Å; M560-F616 HydrophobicContact CE-CD2 3.72Å; M560-F616 HydrophobicContact CE-CE1 4.41Å; M560-F616 HydrophobicContact CE-CE2 3.51Å; M560-F616 HydrophobicContact CE-CG 4.28Å; M560-F616 HydrophobicContact CE-CZ 3.88Å; M560-F616 HydrophobicContact CG-CD1 4.34Å; M560-F616 HydrophobicContact CG-CE1 3.9Å; M560-F616 HydrophobicContact CG-CZ 4.05Å; M560-F616 HydrophobicContact SD-CZ 4.47Å; M560-K617 PolarHBondContact O-N 2.99Å; M560-A618 PolarHBondContact O-N 3.18Å |
| 561 | Q | 90.2 | Very high | 93.5 | Very high | 100 Ų | 100 | 53 Ų | 53 | 47% | 0.467 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 7.2 | -178.4 | -58.5 | -175.5 | -6.8 | 0 | 0 | 113.1 | L557 I559 K617 | L557-Q561 HydrophobicContact CD1-CG 4.25Å; L557-Q561 PolarHBondContact O-N 2.8Å; I559-Q561 PolarHBondContact O-N 2.96Å; Q561-K617 HydrophobicContact CG-CB 4.38Å |
| 562 | G | 92.9 | Very high | 93.7 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -83.3 | -140.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E558 I559 A618 T619 | E558-G562 VanDerWaalsContact O-CA 3.29Å; E558-G562 WeakPolarHBondContact O-CA 3.34Å; E558-G562 PolarHBondContact O-N 3.24Å; I559-G562 PolarHBondContact O-N 3.12Å; G562-A618 CarbonylContact O-C 3.57Å; G562-A618 WeakPolarHBondContact O-CA 3.44Å; G562-T619 PolarHBondContact O-N 3.3Å |
| 563 | T | 96.3 | Very high | 93.9 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 31% | 0.307 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -92.6 | 157 | 174 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | E565 E566 L567 | T563-E565 VanDerWaalsContact C-N 3.25Å; T563-E565 PolarHBondContact O-N 3.06Å; T563-E566 PolarHBondContact N-OE2 3.47Å; T563-E566 PolarHBondContact O-N 3.27Å; T563-E566 WeakPolarHBondContact OG1-CB 3.17Å; T563-E566 VanDerWaalsContact OG1-CD 3.25Å; T563-E566 WeakPolarHBondContact OG1-CG 3.21Å; T563-E566 PolarHBondContact OG1-N 3.16Å; T563-E566 PolarHBondContact OG1-OE2 3.02Å; T563-L567 PolarHBondContact O-N 3.24Å |
| 564 | G | 95.2 | Very high | 94 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.1 | -39.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E566 L567 F568 T619 C621 | G564-E566 PolarHBondContact O-N 2.85Å; G564-L567 PolarHBondContact O-N 3.26Å; G564-F568 VanDerWaalsContact O-CD2 3.26Å; G564-F568 WeakPolarHBondContact O-CD2 3.41Å; G564-F568 PolarHBondContact O-N 2.75Å; G564-T619 WeakPolarHBondContact CA-O 3.46Å; G564-T619 PolarHBondContact N-O 2.89Å; G564-C621 WeakPolarHBondContact CA-SG 3.4Å |
| 565 | E | 96.8 | Very high | 94.2 | Very high | 117 Ų | 117 | 44.5 Ų | 44.5 | 55% | 0.547 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.5 | -50.4 | 176.2 | -171.2 | 171.2 | 134.2 | 0 | 0 | 111.8 | T563 L567 F568 D569 | T563-E565 VanDerWaalsContact C-N 3.25Å; T563-E565 PolarHBondContact O-N 3.06Å; E565-L567 PolarHBondContact O-N 3.44Å; E565-F568 PolarHBondContact O-N 2.94Å; E565-D569 VanDerWaalsContact O-CB 3.26Å; E565-D569 WeakPolarHBondContact O-CB 3.42Å; E565-D569 VanDerWaalsContact O-CG 3.28Å; E565-D569 PolarHBondContact O-N 3.35Å |
| 566 | E | 96.7 | Very high | 94.4 | Very high | 96 Ų | 96 | 44.5 Ų | 44.5 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 178.2 | -71.9 | 164.4 | 149.6 | 0 | 0 | 112.5 | I559 T563 G564 H570 | I559-E566 HydrophobicContact CD1-CB 4.32Å; T563-E566 PolarHBondContact N-OE2 3.47Å; T563-E566 PolarHBondContact O-N 3.27Å; T563-E566 WeakPolarHBondContact OG1-CB 3.17Å; T563-E566 VanDerWaalsContact OG1-CD 3.25Å; T563-E566 WeakPolarHBondContact OG1-CG 3.21Å; T563-E566 PolarHBondContact OG1-N 3.16Å; T563-E566 PolarHBondContact OG1-OE2 3.02Å; G564-E566 PolarHBondContact O-N 2.85Å; E566-H570 WeakPolarHBondContact O-CB 3.46Å; E566-H570 PolarHBondContact O-N 3.27Å |
| 567 | L | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.1 | -53.1 | 177.8 | 175.7 | 61.7 | 0 | 0 | 0 | 111 | I555 I559 T563 G564 E565 D569 H570 L571 W612 F616 A618 | I555-L567 HydrophobicContact CG2-CD1 4.25Å; I559-L567 HydrophobicContact CG2-CB 4.31Å; I559-L567 HydrophobicContact CG2-CD1 3.97Å; T563-L567 PolarHBondContact O-N 3.24Å; G564-L567 PolarHBondContact O-N 3.26Å; E565-L567 PolarHBondContact O-N 3.44Å; L567-D569 PolarHBondContact O-N 2.86Å; L567-H570 WeakPolarHBondContact O-CB 3.13Å; L567-H570 PolarHBondContact O-N 3.34Å; L567-L571 WeakPolarHBondContact O-CG 3.39Å; L567-L571 PolarHBondContact O-N 3.1Å; L567-W612 HydrophobicContact CD2-CH2 3.86Å; L567-W612 HydrophobicContact CD2-CZ2 4.02Å; L567-F616 HydrophobicContact CD1-CE1 4.24Å; L567-F616 HydrophobicContact CD2-CD1 4.32Å; L567-F616 HydrophobicContact CD2-CE1 4.4Å; L567-A618 HydrophobicContact CB-CB 4.32Å; L567-A618 HydrophobicContact CD2-CB 3.88Å |
| 568 | F | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.6 | -29.6 | -176.4 | -78.2 | -88.1 | 0 | 0 | 0 | 112.7 | G564 E565 L571 A572 F593 F595 V626 M629 L630 A633 | G564-F568 VanDerWaalsContact O-CD2 3.26Å; G564-F568 WeakPolarHBondContact O-CD2 3.41Å; G564-F568 PolarHBondContact O-N 2.75Å; E565-F568 PolarHBondContact O-N 2.94Å; F568-L571 HydrophobicContact CD1-CD1 3.98Å; F568-L571 HydrophobicContact CE1-CD1 4.23Å; F568-L571 HydrophobicContact CG-CD1 4.47Å; F568-L571 PolarHBondContact O-N 3.25Å; F568-A572 WeakPolarHBondContact O-CB 3.45Å; F568-A572 PolarHBondContact O-N 3.4Å; F568-F593 HydrophobicContact CE1-CE1 4.23Å; F568-F593 HydrophobicContact CE1-CZ 4.34Å; F568-F595 HydrophobicContact CZ-CE2 4.38Å; F568-V626 HydrophobicContact CE1-CB 4.28Å; F568-V626 VanDerWaalsContact CE1-O 3.23Å; F568-V626 WeakPolarHBondContact CE1-O 3.38Å; F568-V626 HydrophobicContact CZ-CB 3.86Å; F568-V626 HydrophobicContact CZ-CG1 4.13Å; F568-M629 HydrophobicContact CD1-CB 3.9Å; F568-M629 HydrophobicContact CD2-CB 3.83Å; F568-M629 HydrophobicContact CD2-CE 3.84Å; F568-M629 HydrophobicContact CD2-SD 4.06Å; F568-M629 HydrophobicContact CE1-CB 3.94Å; F568-M629 HydrophobicContact CE2-CB 3.89Å; F568-M629 HydrophobicContact CE2-CE 3.88Å; F568-M629 HydrophobicContact CE2-CG 4.39Å; F568-M629 HydrophobicContact CE2-SD 3.57Å; F568-M629 VanDerWaalsContact CE2-SD 3.57Å; F568-M629 HydrophobicContact CG-CB 3.84Å; F568-M629 HydrophobicContact CZ-CB 3.94Å; F568-M629 HydrophobicContact CZ-SD 4.09Å; F568-L630 HydrophobicContact CD1-CB 3.79Å; F568-L630 HydrophobicContact CD1-CD1 4.28Å; F568-L630 HydrophobicContact CE1-CB 4.09Å; F568-A633 HydrophobicContact CB-CB 3.97Å; F568-A633 VanDerWaalsContact O-CB 3.32Å; F568-A633 WeakPolarHBondContact O-CB 3.42Å |
| 569 | D | 96.9 | Very high | 95.1 | Very high | 50 Ų | 50 | 32.4 Ų | 32.4 | 27% | 0.267 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.8 | -40 | 170.8 | -79.5 | 4 | 0 | 0 | 0 | 111.8 | E565 L567 A572 Q573 A633 R636 | E565-D569 VanDerWaalsContact O-CB 3.26Å; E565-D569 WeakPolarHBondContact O-CB 3.42Å; E565-D569 VanDerWaalsContact O-CG 3.28Å; E565-D569 PolarHBondContact O-N 3.35Å; L567-D569 PolarHBondContact O-N 2.86Å; D569-A572 PolarHBondContact O-N 2.66Å; D569-Q573 WeakPolarHBondContact O-CB 3.44Å; D569-Q573 PolarHBondContact O-N 3.38Å; D569-A633 WeakPolarHBondContact OD1-CB 3.3Å; D569-R636 IonicContact OD1-CZ 2.66Å; D569-R636 VanDerWaalsContact OD1-CZ 3.29Å; D569-R636 IonicContact OD1-NE 3.13Å; D569-R636 PolarHBondContact OD1-NE 3.17Å; D569-R636 IonicContact OD1-NH2 3.27Å; D569-R636 PolarHBondContact OD1-NH2 3.28Å; D569-R636 IonicContact OD2-NE 3Å |
| 570 | H | 96.4 | Very high | 95.1 | Very high | 47 Ų | 47 | 35.6 Ų | 35.6 | 22% | 0.218 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 172.6 | -176.7 | 77.6 | 0 | 0 | 0 | 111.7 | T554 I559 E566 L567 Q573 C574 | T554-H570 PolarHBondContact O-NE2 2.77Å; I559-H570 HydrophobicContact CG2-CB 4.01Å; E566-H570 WeakPolarHBondContact O-CB 3.46Å; E566-H570 PolarHBondContact O-N 3.27Å; L567-H570 WeakPolarHBondContact O-CB 3.13Å; L567-H570 PolarHBondContact O-N 3.34Å; H570-Q573 WeakPolarHBondContact O-CB 3.38Å; H570-Q573 PolarHBondContact O-N 2.94Å; H570-C574 PolarHBondContact O-N 2.82Å; H570-C574 PolarHBondContact O-SG 3.23Å |
| 571 | L | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 175 | -62.5 | 176.9 | 0 | 0 | 0 | 111.2 | L534 F539 I555 L567 F568 Q573 C574 V575 F593 L630 | L534-L571 HydrophobicContact CD1-CD2 4.23Å; L534-L571 HydrophobicContact CD2-CD1 3.73Å; L534-L571 HydrophobicContact CD2-CD2 4.18Å; F539-L571 HydrophobicContact CB-CD2 4.11Å; F539-L571 HydrophobicContact CD1-CD2 4.08Å; F539-L571 HydrophobicContact CD2-CD2 3.64Å; F539-L571 HydrophobicContact CE1-CD2 4.38Å; F539-L571 HydrophobicContact CE2-CD2 3.96Å; F539-L571 HydrophobicContact CG-CD2 3.68Å; F539-L571 HydrophobicContact CZ-CD2 4.31Å; I555-L571 HydrophobicContact CD1-CD2 4.4Å; L567-L571 WeakPolarHBondContact O-CG 3.39Å; L567-L571 PolarHBondContact O-N 3.1Å; F568-L571 HydrophobicContact CD1-CD1 3.98Å; F568-L571 HydrophobicContact CE1-CD1 4.23Å; F568-L571 HydrophobicContact CG-CD1 4.47Å; F568-L571 PolarHBondContact O-N 3.25Å; L571-Q573 VanDerWaalsContact C-N 3.29Å; L571-Q573 PolarHBondContact O-N 3.05Å; L571-C574 WeakPolarHBondContact O-CB 3.36Å; L571-C574 PolarHBondContact O-N 2.63Å; L571-C574 VanDerWaalsContact O-N 3.11Å; L571-V575 WeakPolarHBondContact O-CG2 3.28Å; L571-V575 PolarHBondContact O-N 3.28Å; L571-F593 HydrophobicContact CD1-CZ 4.39Å; L571-L630 HydrophobicContact CB-CD1 4.19Å |
| 572 | A | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -36.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F568 D569 V575 C576 A633 I634 R637 | F568-A572 WeakPolarHBondContact O-CB 3.45Å; F568-A572 PolarHBondContact O-N 3.4Å; D569-A572 PolarHBondContact O-N 2.66Å; A572-V575 PolarHBondContact O-N 3.05Å; A572-C576 WeakPolarHBondContact O-CB 3.12Å; A572-C576 PolarHBondContact O-N 3.41Å; A572-A633 HydrophobicContact CB-CB 3.87Å; A572-I634 HydrophobicContact CB-CG1 4.12Å; A572-R637 HydrophobicContact CB-CG 4.46Å |
| 573 | Q | 95.6 | Very high | 95.3 | Very high | 86 Ų | 86 | 42.6 Ų | 42.6 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 172.4 | 178.5 | 57 | 73.4 | 0 | 0 | 112.3 | D569 H570 L571 C576 D577 R637 | D569-Q573 WeakPolarHBondContact O-CB 3.44Å; D569-Q573 PolarHBondContact O-N 3.38Å; H570-Q573 WeakPolarHBondContact O-CB 3.38Å; H570-Q573 PolarHBondContact O-N 2.94Å; L571-Q573 VanDerWaalsContact C-N 3.29Å; L571-Q573 PolarHBondContact O-N 3.05Å; Q573-C576 PolarHBondContact O-N 3.03Å; Q573-D577 WeakPolarHBondContact O-CB 3.26Å; Q573-D577 PolarHBondContact O-N 3.26Å; Q573-R637 VanDerWaalsContact OE1-CZ 3.3Å; Q573-R637 VanDerWaalsContact OE1-NH2 3.11Å |
| 574 | C | 96.1 | Very high | 95 | Very high | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 176 | -64.8 | 0 | 0 | 0 | 0 | 111.4 | F539 Y553 H570 L571 D577 F578 | F539-C574 HydrophobicContact CD1-CB 3.55Å; F539-C574 HydrophobicContact CE1-CB 3.66Å; Y553-C574 VanDerWaalsContact CB-SG 3.55Å; Y553-C574 HydrophobicContact CD1-CB 3.79Å; Y553-C574 VanDerWaalsContact CD1-SG 3.59Å; Y553-C574 HydrophobicContact CD2-CB 3.8Å; Y553-C574 HydrophobicContact CE1-CB 4.09Å; Y553-C574 HydrophobicContact CE2-CB 4.11Å; Y553-C574 HydrophobicContact CG-CB 3.64Å; Y553-C574 VanDerWaalsContact CG-SG 3.56Å; Y553-C574 VanDerWaalsContact CZ-O 3.3Å; Y553-C574 PolarHBondContact OH-O 3.01Å; H570-C574 PolarHBondContact O-N 2.82Å; H570-C574 PolarHBondContact O-SG 3.23Å; L571-C574 WeakPolarHBondContact O-CB 3.36Å; L571-C574 PolarHBondContact O-N 2.63Å; L571-C574 VanDerWaalsContact O-N 3.11Å; C574-D577 PolarHBondContact O-N 2.92Å; C574-F578 PolarHBondContact O-N 2.91Å |
| 575 | V | 94.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 175.6 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | L532 F539 L571 A572 D577 F578 L579 F640 L642 | L532-V575 HydrophobicContact CD1-CG2 3.85Å; L532-V575 HydrophobicContact CD2-CG1 4.48Å; L532-V575 HydrophobicContact CD2-CG2 3.6Å; L532-V575 HydrophobicContact CG-CG2 4.36Å; F539-V575 HydrophobicContact CE1-CG2 3.97Å; F539-V575 HydrophobicContact CZ-CG2 3.92Å; L571-V575 WeakPolarHBondContact O-CG2 3.28Å; L571-V575 PolarHBondContact O-N 3.28Å; A572-V575 PolarHBondContact O-N 3.05Å; V575-D577 PolarHBondContact O-N 3.21Å; V575-F578 PolarHBondContact O-N 3.07Å; V575-L579 HydrophobicContact CG1-CD1 3.99Å; V575-L579 HydrophobicContact CG1-CG 4.27Å; V575-L579 WeakPolarHBondContact O-CG 3.33Å; V575-L579 PolarHBondContact O-N 2.88Å; V575-F640 HydrophobicContact CB-CE2 4.32Å; V575-F640 HydrophobicContact CB-CZ 4.03Å; V575-F640 HydrophobicContact CG1-CE2 3.62Å; V575-F640 HydrophobicContact CG1-CZ 3.85Å; V575-L642 HydrophobicContact CG1-CD2 4.36Å |
| 576 | C | 94.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.7 | -48.6 | 177.5 | -173.9 | 0 | 0 | 0 | 0 | 112 | A572 Q573 F578 L579 D580 K585 D639 F640 | A572-C576 WeakPolarHBondContact O-CB 3.12Å; A572-C576 PolarHBondContact O-N 3.41Å; Q573-C576 PolarHBondContact O-N 3.03Å; C576-F578 VanDerWaalsContact C-N 3.32Å; C576-F578 PolarHBondContact O-N 3.37Å; C576-L579 PolarHBondContact O-N 3.39Å; C576-D580 PolarHBondContact O-N 3.39Å; C576-K585 WeakPolarHBondContact SG-CE 3.42Å; C576-K585 PolarHBondContact SG-NZ 2.91Å; C576-D639 PolarHBondContact SG-OD2 3.16Å; C576-F640 HydrophobicContact CB-CD1 3.73Å; C576-F640 HydrophobicContact CB-CE1 3.52Å; C576-F640 HydrophobicContact CB-CZ 4.39Å |
| 577 | D | 95.8 | Very high | 93.7 | Very high | 58 Ų | 58 | 47.2 Ų | 47.2 | 31% | 0.31 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 177.4 | 170.7 | 86.9 | 0 | 0 | 0 | 111.8 | K551 Y553 Q573 C574 V575 D580 Y581 | K551-D577 VanDerWaalsContact CE-OD2 3.31Å; K551-D577 WeakPolarHBondContact CE-OD2 3.37Å; K551-D577 IonicContact NZ-OD1 3.58Å; K551-D577 IonicContact NZ-OD2 3.53Å; K551-D577 PolarHBondContact NZ-OD2 3.39Å; Y553-D577 HydrophobicContact CE1-CB 4.24Å; Y553-D577 WeakPolarHBondContact CE1-OD2 3.36Å; Y553-D577 VanDerWaalsContact CZ-OD2 3.29Å; Y553-D577 PolarHBondContact OH-OD2 3.03Å; Q573-D577 WeakPolarHBondContact O-CB 3.26Å; Q573-D577 PolarHBondContact O-N 3.26Å; C574-D577 PolarHBondContact O-N 2.92Å; V575-D577 PolarHBondContact O-N 3.21Å; D577-D580 PolarHBondContact O-N 2.94Å; D577-Y581 VanDerWaalsContact O-CB 3.31Å; D577-Y581 WeakPolarHBondContact O-CB 3.5Å; D577-Y581 PolarHBondContact O-N 3.45Å |
| 578 | F | 95.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 176.4 | -176.8 | -113.3 | 0 | 0 | 0 | 112.4 | L530 A541 L543 K551 Y553 C574 V575 C576 D580 Y581 M582 | L530-F578 HydrophobicContact CD2-CD1 4.25Å; L530-F578 HydrophobicContact CD2-CE1 3.86Å; A541-F578 HydrophobicContact CB-CB 3.66Å; A541-F578 HydrophobicContact CB-CD1 3.61Å; A541-F578 HydrophobicContact CB-CD2 4.17Å; A541-F578 HydrophobicContact CB-CE1 4.28Å; A541-F578 HydrophobicContact CB-CG 3.53Å; A541-F578 WeakPolarHBondContact O-CE2 3.4Å; L543-F578 HydrophobicContact CB-CE1 4.03Å; L543-F578 HydrophobicContact CB-CZ 4.06Å; K551-F578 HydrophobicContact CB-CD2 3.61Å; K551-F578 HydrophobicContact CB-CE2 3.99Å; Y553-F578 HydrophobicContact CE2-CB 4.39Å; Y553-F578 WeakPolarHBondContact OH-CA 3.36Å; Y553-F578 WeakPolarHBondContact OH-CB 3.49Å; Y553-F578 PolarHBondContact OH-N 3.11Å; Y553-F578 VanDerWaalsContact OH-N 3.12Å; C574-F578 PolarHBondContact O-N 2.91Å; V575-F578 PolarHBondContact O-N 3.07Å; C576-F578 VanDerWaalsContact C-N 3.32Å; C576-F578 PolarHBondContact O-N 3.37Å; F578-D580 VanDerWaalsContact C-N 3.32Å; F578-D580 PolarHBondContact O-N 3.1Å; F578-Y581 WeakPolarHBondContact O-CB 3.36Å; F578-Y581 PolarHBondContact O-N 3.37Å; F578-M582 HydrophobicContact CD1-CG 4.44Å; F578-M582 HydrophobicContact CD2-CG 4.27Å; F578-M582 HydrophobicContact CE1-CG 4.04Å; F578-M582 HydrophobicContact CE2-CG 3.85Å; F578-M582 HydrophobicContact CE2-SD 4.27Å; F578-M582 HydrophobicContact CZ-CG 3.73Å; F578-M582 HydrophobicContact CZ-SD 4.3Å; F578-M582 WeakPolarHBondContact O-CB 3.2Å; F578-M582 WeakPolarHBondContact O-CG 3.3Å; F578-M582 PolarHBondContact O-N 3.5Å |
| 579 | L | 93.8 | Very high | 93 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 177.9 | -71.4 | 176.3 | 0 | 0 | 0 | 111.9 | L530 V575 C576 M582 G583 L584 K585 F640 | L530-L579 HydrophobicContact CD1-CD2 3.74Å; L530-L579 HydrophobicContact CD2-CD2 4.29Å; V575-L579 HydrophobicContact CG1-CD1 3.99Å; V575-L579 HydrophobicContact CG1-CG 4.27Å; V575-L579 WeakPolarHBondContact O-CG 3.33Å; V575-L579 PolarHBondContact O-N 2.88Å; C576-L579 PolarHBondContact O-N 3.39Å; L579-M582 PolarHBondContact O-N 3.42Å; L579-G583 PolarHBondContact O-N 3.3Å; L579-G583 VanDerWaalsContact O-N 3.1Å; L579-L584 HydrophobicContact CD2-CB 4.2Å; L579-L584 PolarHBondContact O-N 3.47Å; L579-K585 PolarHBondContact O-N 3.45Å; L579-F640 HydrophobicContact CD1-CB 4.14Å; L579-F640 HydrophobicContact CD1-CD2 3.4Å; L579-F640 HydrophobicContact CD1-CE2 3.94Å; L579-F640 HydrophobicContact CD1-CG 3.87Å |
| 580 | D | 93.3 | Very high | 92.8 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 56% | 0.556 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.6 | -46.6 | 175.2 | -161 | 31.5 | 0 | 0 | 0 | 111 | C576 D577 F578 M582 G583 K585 | C576-D580 PolarHBondContact O-N 3.39Å; D577-D580 PolarHBondContact O-N 2.94Å; F578-D580 VanDerWaalsContact C-N 3.32Å; F578-D580 PolarHBondContact O-N 3.1Å; D580-M582 PolarHBondContact O-N 3.45Å; D580-G583 PolarHBondContact O-N 2.94Å; D580-K585 HydrophobicContact CB-CD 4.42Å |
| 581 | Y | 93.2 | Very high | 92.7 | Very high | 162 Ų | 162 | 51 Ų | 51 | 64% | 0.635 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -55.2 | -38.5 | 174.3 | 175.3 | -102.1 | 0 | 0 | 0 | 112.9 | D577 F578 | D577-Y581 VanDerWaalsContact O-CB 3.31Å; D577-Y581 WeakPolarHBondContact O-CB 3.5Å; D577-Y581 PolarHBondContact O-N 3.45Å; F578-Y581 WeakPolarHBondContact O-CB 3.36Å; F578-Y581 PolarHBondContact O-N 3.37Å |
| 582 | M | 92.9 | Very high | 92.7 | Very high | 42 Ų | 42 | 51 Ų | 51 | 21% | 0.207 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -4.9 | 178.3 | -65.8 | -58.7 | -68.5 | 0 | 0 | 113.9 | L543 Y549 F578 L579 D580 L584 | L543-M582 HydrophobicContact CB-CE 4.34Å; L543-M582 HydrophobicContact CD2-CE 3.53Å; Y549-M582 HydrophobicContact CD1-CE 4.04Å; Y549-M582 HydrophobicContact CD2-CE 3.98Å; Y549-M582 HydrophobicContact CG-CE 3.62Å; Y549-M582 HydrophobicContact CG-SD 4.47Å; F578-M582 HydrophobicContact CD1-CG 4.44Å; F578-M582 HydrophobicContact CD2-CG 4.27Å; F578-M582 HydrophobicContact CE1-CG 4.04Å; F578-M582 HydrophobicContact CE2-CG 3.85Å; F578-M582 HydrophobicContact CE2-SD 4.27Å; F578-M582 HydrophobicContact CZ-CG 3.73Å; F578-M582 HydrophobicContact CZ-SD 4.3Å; F578-M582 WeakPolarHBondContact O-CB 3.2Å; F578-M582 WeakPolarHBondContact O-CG 3.3Å; F578-M582 PolarHBondContact O-N 3.5Å; L579-M582 PolarHBondContact O-N 3.42Å; D580-M582 PolarHBondContact O-N 3.45Å; M582-L584 HydrophobicContact CB-CD1 3.91Å; M582-L584 HydrophobicContact CB-CG 4.17Å |
| 583 | G | 91.9 | Very high | 92.7 | Very high | 66 Ų | 66 | 51 Ų | 51 | 68% | 0.68 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 31.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L579 D580 | L579-G583 PolarHBondContact O-N 3.3Å; L579-G583 VanDerWaalsContact O-N 3.1Å; D580-G583 PolarHBondContact O-N 2.94Å |
| 584 | L | 91 | Very high | 92.6 | Very high | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.089 | 23% | 0.234 | C | C | . | . | trans | -118.2 | 8.9 | -172.4 | -66.1 | 171.9 | 0 | 0 | 0 | 114 | L543 L579 M582 K586 V587 L589 | L543-L584 HydrophobicContact CD1-CD1 4.15Å; L543-L584 HydrophobicContact CD2-CD1 3.59Å; L543-L584 HydrophobicContact CG-CD1 4.49Å; L579-L584 HydrophobicContact CD2-CB 4.2Å; L579-L584 PolarHBondContact O-N 3.47Å; M582-L584 HydrophobicContact CB-CD1 3.91Å; M582-L584 HydrophobicContact CB-CG 4.17Å; L584-K586 PolarHBondContact O-N 2.78Å; L584-V587 HydrophobicContact CD2-CG2 4.13Å; L584-V587 PolarHBondContact O-N 3.47Å; L584-L589 HydrophobicContact CB-CD1 4.46Å; L584-L589 HydrophobicContact CD1-CD1 4.01Å | ||
| 585 | K | 87.1 | Confident | 92.5 | Very high | 64 Ų | 64 | 46.8 Ų | 46.8 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24.8 | -175.5 | -162.7 | 169 | 179.2 | 165.9 | 0 | 115.2 | C576 L579 D580 D639 F640 | C576-K585 WeakPolarHBondContact SG-CE 3.42Å; C576-K585 PolarHBondContact SG-NZ 2.91Å; L579-K585 PolarHBondContact O-N 3.45Å; D580-K585 HydrophobicContact CB-CD 4.42Å; K585-D639 WeakPolarHBondContact CE-O 3.16Å; K585-D639 WeakPolarHBondContact CE-OD2 3.43Å; K585-D639 IonicContact NZ-OD2 2.89Å; K585-D639 PolarHBondContact NZ-OD2 2.85Å; K585-F640 HydrophobicContact CG-CB 4.07Å |
| 586 | K | 86 | Confident | 92.3 | Very high | 212 Ų | 212 | 47 Ų | 47 | 92% | 0.922 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 1.8 | 178.6 | -61.7 | -172 | -179.5 | -177.4 | 0 | 114.6 | L584 | L584-K586 PolarHBondContact O-N 2.78Š|
| 587 | V | 87.3 | Confident | 92.1 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 41% | 0.406 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -106.6 | 120.8 | -176.5 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | L584 L589 | L584-V587 HydrophobicContact CD2-CG2 4.13Å; L584-V587 PolarHBondContact O-N 3.47Å; V587-L589 HydrophobicContact CB-CG 4.42Å; V587-L589 HydrophobicContact CG1-CD2 3.89Å; V587-L589 HydrophobicContact CG1-CG 3.91Å; V587-L589 PolarHBondContact O-N 3.45Å |
| 588 | R | 89.4 | Confident | 91.7 | Very high | 153 Ų | 153 | 44.4 Ų | 44.4 | 58% | 0.577 | 22% | 0.22 | S | C | * | . | trans | -73.4 | 114.9 | 169.7 | -171.4 | -179.9 | 176.6 | -177.4 | -8.6 | 108.8 | D641 D643 | R588-D641 VanDerWaalsContact CD-OD2 3.26Å; R588-D641 WeakPolarHBondContact CD-OD2 3.49Å; R588-D641 IonicContact NE-OD2 4Å; R588-D643 HydrophobicContact CG-CB 4.28Å; R588-D643 IonicContact CZ-OD1 3.44Å; R588-D643 IonicContact NE-OD1 3.68Å; R588-D643 IonicContact NH2-OD1 2.94Å; R588-D643 PolarHBondContact NH2-OD1 3.33Å | ||
| 589 | L | 89.5 | Confident | 91.6 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.063 | 22% | 0.222 | C | C | . | . | trans | -117 | 142.9 | -178.1 | -72.5 | 172.5 | 0 | 0 | 0 | 111 | K528 L530 L543 L584 V587 D643 | K528-L589 HydrophobicContact CB-CD2 4.17Å; L530-L589 HydrophobicContact CD1-CB 3.67Å; L530-L589 HydrophobicContact CD1-CD1 3.88Å; L530-L589 HydrophobicContact CD1-CG 4.41Å; L530-L589 HydrophobicContact CG-CB 4.17Å; L530-L589 HydrophobicContact CG-CD1 4.09Å; L543-L589 HydrophobicContact CD1-CD1 4.18Å; L584-L589 HydrophobicContact CB-CD1 4.46Å; L584-L589 HydrophobicContact CD1-CD1 4.01Å; V587-L589 HydrophobicContact CB-CG 4.42Å; V587-L589 HydrophobicContact CG1-CD2 3.89Å; V587-L589 HydrophobicContact CG1-CG 3.91Å; V587-L589 PolarHBondContact O-N 3.45Å; L589-D643 PolarHBondContact O-N 3.37Å | ||
| 590 | P | 92.8 | Very high | 91.5 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 135.8 | 170.3 | 29 | -34 | 0 | 0 | 0 | 110.3 | Y529 L530 D643 V645 | Y529-P590 HydrophobicContact CD1-CB 3.97Å; Y529-P590 HydrophobicContact CD1-CG 3.49Å; Y529-P590 VanDerWaalsContact CD1-CG 3.49Å; Y529-P590 HydrophobicContact CE1-CB 4.11Å; Y529-P590 HydrophobicContact CE1-CG 3.57Å; Y529-P590 HydrophobicContact CG-CG 4.47Å; L530-P590 PolarHBondContact N-O 2.96Å; P590-D643 CarbonylContact C-O 3.41Å; P590-D643 WeakPolarHBondContact CA-O 3.4Å; P590-V645 HydrophobicContact CB-CG1 4.06Å; P590-V645 HydrophobicContact CB-CG2 4.16Å |
| 591 | A | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L530 L642 D643 V645 | L530-A591 HydrophobicContact CB-CB 3.89Å; L530-A591 CarbonylContact O-C 3.52Å; L530-A591 VanDerWaalsContact O-CA 3.27Å; L530-A591 WeakPolarHBondContact O-CA 3.3Å; A591-L642 HydrophobicContact CB-CD1 3.84Å; A591-L642 HydrophobicContact CB-CD2 3.82Å; A591-L642 HydrophobicContact CB-CG 3.83Å; A591-D643 PolarHBondContact N-O 3Å; A591-V645 PolarHBondContact O-N 3.13Å |
| 592 | G | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L530 A531 L532 | L530-G592 PolarHBondContact O-N 3.23Å; A531-G592 WeakPolarHBondContact CA-O 3.41Å; L532-G592 PolarHBondContact N-O 3.08Å |
| 593 | F | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 99.3 | 176.1 | -175.2 | -161.3 | 0 | 0 | 0 | 109.8 | L532 L534 F568 L571 F595 L630 I644 A646 L647 V648 | L532-F593 HydrophobicContact CB-CD2 3.83Å; L532-F593 HydrophobicContact CB-CE2 4.48Å; L532-F593 CarbonylContact O-C 3.59Å; L534-F593 HydrophobicContact CB-CE2 4.18Å; F568-F593 HydrophobicContact CE1-CE1 4.23Å; F568-F593 HydrophobicContact CE1-CZ 4.34Å; L571-F593 HydrophobicContact CD1-CZ 4.39Å; F593-F595 HydrophobicContact CE1-CD2 4.14Å; F593-F595 HydrophobicContact CE2-CB 4.35Å; F593-F595 HydrophobicContact CE2-CD2 4.09Å; F593-F595 HydrophobicContact CZ-CB 4.34Å; F593-F595 AromaticContact CZ-CD2 3.58Å; F593-F595 HydrophobicContact CZ-CD2 3.58Å; F593-F595 HydrophobicContact CZ-CE2 4.34Å; F593-F595 HydrophobicContact CZ-CG 4.35Å; F593-F595 PolarHBondContact O-N 2.92Å; F593-L630 HydrophobicContact CD1-CD2 3.8Å; F593-L630 HydrophobicContact CE1-CB 4.35Å; F593-L630 HydrophobicContact CE1-CD2 3.74Å; F593-L630 HydrophobicContact CE2-CD2 4.45Å; F593-L630 HydrophobicContact CG-CD2 4.2Å; F593-L630 HydrophobicContact CZ-CD2 4.07Å; F593-I644 HydrophobicContact CB-CG2 4.11Å; F593-A646 PolarHBondContact N-O 2.98Å; F593-L647 HydrophobicContact CB-CD1 4.46Å; F593-L647 HydrophobicContact CD1-CD1 3.92Å; F593-L647 HydrophobicContact CG-CD1 4.3Å; F593-L647 CarbonylContact O-C 3.59Å; F593-L647 WeakPolarHBondContact O-CA 3.38Å; F593-V648 PolarHBondContact O-N 2.84Å |
| 594 | T | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 113.2 | 165.9 | -56 | 0 | 0 | 0 | 0 | 110.3 | L532 D533 L534 V648 D650 A930 | L532-T594 WeakPolarHBondContact O-CA 3.37Å; L532-T594 WeakPolarHBondContact O-CB 3.28Å; L532-T594 PolarHBondContact O-N 3.37Å; D533-T594 WeakPolarHBondContact OD1-CG2 3.33Å; L534-T594 PolarHBondContact N-O 3.18Å; T594-V648 CarbonylContact C-O 3.52Å; T594-V648 WeakPolarHBondContact CA-O 3.47Å; T594-D650 HydrophobicContact CG2-CB 4.02Å; T594-A930 WeakPolarHBondContact OG1-CB 3.47Å |
| 595 | F | 94 | Very high | 91.2 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 99.7 | 177.3 | -169.5 | -100.8 | 0 | 0 | 0 | 108.2 | L534 F568 F593 F597 C599 L609 W612 V626 L647 V648 | L534-F595 HydrophobicContact CB-CD2 4.43Å; L534-F595 HydrophobicContact CD2-CD2 3.81Å; L534-F595 HydrophobicContact CD2-CE2 3.65Å; L534-F595 HydrophobicContact CG-CD2 4.43Å; F568-F595 HydrophobicContact CZ-CE2 4.38Å; F593-F595 HydrophobicContact CE1-CD2 4.14Å; F593-F595 HydrophobicContact CE2-CB 4.35Å; F593-F595 HydrophobicContact CE2-CD2 4.09Å; F593-F595 HydrophobicContact CZ-CB 4.34Å; F593-F595 AromaticContact CZ-CD2 3.58Å; F593-F595 HydrophobicContact CZ-CD2 3.58Å; F593-F595 HydrophobicContact CZ-CE2 4.34Å; F593-F595 HydrophobicContact CZ-CG 4.35Å; F593-F595 PolarHBondContact O-N 2.92Å; F595-F597 HydrophobicContact CD1-CB 3.95Å; F595-F597 AromaticContact CD1-CD2 3.77Å; F595-F597 HydrophobicContact CD1-CD2 3.77Å; F595-F597 HydrophobicContact CD1-CG 4.35Å; F595-F597 HydrophobicContact CD2-CD2 4.16Å; F595-F597 HydrophobicContact CE1-CB 3.63Å; F595-F597 AromaticContact CE1-CD2 3.52Å; F595-F597 HydrophobicContact CE1-CD2 3.52Å; F595-F597 AromaticContact CE1-CG 3.94Å; F595-F597 HydrophobicContact CE1-CG 3.94Å; F595-F597 AromaticContact CE2-CD2 3.92Å; F595-F597 HydrophobicContact CE2-CD2 3.92Å; F595-F597 HydrophobicContact CE2-CE2 4.27Å; F595-F597 HydrophobicContact CG-CD2 4.1Å; F595-F597 HydrophobicContact CZ-CB 4.4Å; F595-F597 AromaticContact CZ-CD2 3.59Å; F595-F597 HydrophobicContact CZ-CD2 3.59Å; F595-F597 HydrophobicContact CZ-CE2 4.26Å; F595-F597 HydrophobicContact CZ-CG 4.26Å; F595-F597 PolarHBondContact O-N 3.12Å; F595-C599 VanDerWaalsContact CD1-SG 3.52Å; F595-L609 HydrophobicContact CE1-CD1 4.12Å; F595-W612 HydrophobicContact CE1-CZ3 4.4Å; F595-W612 HydrophobicContact CE2-CH2 4.15Å; F595-W612 HydrophobicContact CE2-CZ3 4.32Å; F595-W612 AromaticContact CZ-CH2 3.58Å; F595-W612 HydrophobicContact CZ-CH2 3.58Å; F595-W612 AromaticContact CZ-CZ3 3.63Å; F595-W612 HydrophobicContact CZ-CZ3 3.63Å; F595-V626 HydrophobicContact CD1-CG1 4.4Å; F595-V626 HydrophobicContact CD1-CG2 4.14Å; F595-V626 HydrophobicContact CE1-CB 4.38Å; F595-V626 HydrophobicContact CE1-CG1 3.76Å; F595-V626 HydrophobicContact CE1-CG2 4.33Å; F595-V626 HydrophobicContact CE2-CG1 4.42Å; F595-V626 HydrophobicContact CG-CG2 4.31Å; F595-V626 HydrophobicContact CZ-CB 4.35Å; F595-V626 HydrophobicContact CZ-CG1 3.78Å; F595-L647 HydrophobicContact CB-CD1 3.62Å; F595-L647 HydrophobicContact CG-CD1 4.45Å; F595-V648 PolarHBondContact N-O 2.67Å |
| 596 | S | 90.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | trans | -80.4 | 45.9 | -169.1 | -48.5 | 0 | 0 | 0 | 0 | 113.5 | L534 G535 K614 D650 | L534-S596 PolarHBondContact O-N 3.37Å; L534-S596 PolarHBondContact O-OG 3.22Å; G535-S596 WeakPolarHBondContact CA-OG 3.32Å; S596-K614 WeakPolarHBondContact O-CE 3.38Å; S596-K614 PolarHBondContact O-NZ 2.95Å; S596-D650 WeakPolarHBondContact CB-OD2 3.29Å; S596-D650 WeakPolarHBondContact OG-CB 3.41Å; S596-D650 PolarHBondContact OG-OD2 3.42Å | ||
| 597 | F | 89.5 | Confident | 91.8 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -127.5 | 160.3 | 176.7 | -57.6 | -87.3 | 0 | 0 | 0 | 109.7 | L534 F595 C599 L609 W612 T613 F616 | L534-F597 HydrophobicContact CG-CE2 4.31Å; F595-F597 HydrophobicContact CD1-CB 3.95Å; F595-F597 AromaticContact CD1-CD2 3.77Å; F595-F597 HydrophobicContact CD1-CD2 3.77Å; F595-F597 HydrophobicContact CD1-CG 4.35Å; F595-F597 HydrophobicContact CD2-CD2 4.16Å; F595-F597 HydrophobicContact CE1-CB 3.63Å; F595-F597 AromaticContact CE1-CD2 3.52Å; F595-F597 HydrophobicContact CE1-CD2 3.52Å; F595-F597 AromaticContact CE1-CG 3.94Å; F595-F597 HydrophobicContact CE1-CG 3.94Å; F595-F597 AromaticContact CE2-CD2 3.92Å; F595-F597 HydrophobicContact CE2-CD2 3.92Å; F595-F597 HydrophobicContact CE2-CE2 4.27Å; F595-F597 HydrophobicContact CG-CD2 4.1Å; F595-F597 HydrophobicContact CZ-CB 4.4Å; F595-F597 AromaticContact CZ-CD2 3.59Å; F595-F597 HydrophobicContact CZ-CD2 3.59Å; F595-F597 HydrophobicContact CZ-CE2 4.26Å; F595-F597 HydrophobicContact CZ-CG 4.26Å; F595-F597 PolarHBondContact O-N 3.12Å; F597-C599 PolarHBondContact O-N 3.31Å; F597-L609 HydrophobicContact CB-CD1 3.85Å; F597-W612 AromaticContact CD1-CE3 3.58Å; F597-W612 HydrophobicContact CD1-CE3 3.58Å; F597-W612 AromaticContact CD1-CZ3 3.86Å; F597-W612 HydrophobicContact CD1-CZ3 3.86Å; F597-W612 HydrophobicContact CD2-CE3 4.26Å; F597-W612 AromaticContact CD2-CZ3 3.69Å; F597-W612 HydrophobicContact CD2-CZ3 3.69Å; F597-W612 AromaticContact CE1-CE3 3.67Å; F597-W612 HydrophobicContact CE1-CE3 3.67Å; F597-W612 AromaticContact CE1-CZ3 3.84Å; F597-W612 HydrophobicContact CE1-CZ3 3.84Å; F597-W612 HydrophobicContact CE2-CE3 4.35Å; F597-W612 AromaticContact CE2-CZ3 3.68Å; F597-W612 HydrophobicContact CE2-CZ3 3.68Å; F597-W612 AromaticContact CG-CE3 3.89Å; F597-W612 HydrophobicContact CG-CE3 3.89Å; F597-W612 AromaticContact CG-CZ3 3.78Å; F597-W612 HydrophobicContact CG-CZ3 3.78Å; F597-W612 HydrophobicContact CZ-CE3 4.07Å; F597-W612 AromaticContact CZ-CZ3 3.75Å; F597-W612 HydrophobicContact CZ-CZ3 3.75Å; F597-T613 WeakPolarHBondContact CD1-OG1 3.32Å; F597-T613 WeakPolarHBondContact CE1-O 3.41Å; F597-F616 HydrophobicContact CE1-CB 4.19Å; F597-F616 AromaticContact CE1-CD2 3.75Å; F597-F616 HydrophobicContact CE1-CD2 3.75Å; F597-F616 HydrophobicContact CE1-CE2 4.37Å; F597-F616 HydrophobicContact CE1-CG 4.06Å; F597-F616 HydrophobicContact CZ-CB 4.38Å; F597-F616 HydrophobicContact CZ-CD1 4.33Å; F597-F616 AromaticContact CZ-CD2 3.4Å; F597-F616 HydrophobicContact CZ-CD2 3.4Å; F597-F616 VanDerWaalsContact CZ-CD2 3.4Å; F597-F616 AromaticContact CZ-CE2 3.61Å; F597-F616 HydrophobicContact CZ-CE2 3.61Å; F597-F616 AromaticContact CZ-CG 3.79Å; F597-F616 HydrophobicContact CZ-CG 3.79Å; F597-F616 HydrophobicContact CZ-CZ 4.18Å |
| 598 | P | 88.8 | Confident | 92.2 | Very high | 7 Ų | 7 | 28 Ų | 28 | 5% | 0.045 | 15% | 0.147 | C | C | . | . | trans | -61.4 | 107.6 | 176.9 | -19.9 | 30.3 | 0 | 0 | 0 | 110.5 | L513 V610 S611 T613 E737 | L513-P598 HydrophobicContact CD1-CB 4.25Å; P598-V610 HydrophobicContact CB-CB 4.16Å; P598-V610 WeakPolarHBondContact O-CB 3.49Å; P598-V610 WeakPolarHBondContact O-CG2 3.42Å; P598-V610 PolarHBondContact O-N 3.2Å; P598-S611 WeakPolarHBondContact CD-O 3.48Å; P598-T613 HydrophobicContact CG-CG2 4.11Å; P598-E737 HydrophobicContact CB-CG 4.16Å; P598-E737 HydrophobicContact CG-CG 4.4Å | ||
| 599 | C | 91.9 | Very high | 92.4 | Very high | 8 Ų | 8 | 20.8 Ų | 20.8 | 5% | 0.054 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.7 | 176.5 | -76.3 | 0 | 0 | 0 | 0 | 111 | L513 F595 F597 Q601 T608 L647 | L513-C599 WeakPolarHBondContact CD1-O 3.32Å; F595-C599 VanDerWaalsContact CD1-SG 3.52Å; F597-C599 PolarHBondContact O-N 3.31Å; C599-Q601 PolarHBondContact O-N 2.92Å; C599-T608 CarbonylContact C-O 3.45Å; C599-T608 VanDerWaalsContact CA-O 3.3Å; C599-T608 WeakPolarHBondContact CA-O 3.28Å; C599-L647 HydrophobicContact CB-CD2 4.14Å |
| 600 | Q | 92.3 | Very high | 92.4 | Very high | 58 Ų | 58 | 23.3 Ų | 23.3 | 27% | 0.271 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 95.6 | 168.6 | -179 | 61.3 | 70.5 | 0 | 0 | 108.1 | T608 V610 | Q600-T608 PolarHBondContact N-O 3.42Å; Q600-T608 PolarHBondContact O-N 3.01Å; Q600-T608 VanDerWaalsContact O-N 3.07Å; Q600-V610 HydrophobicContact CB-CG2 3.86Å |
| 601 | Q | 91.4 | Very high | 92.2 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 8% | 0.075 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 139.8 | 176.3 | -68.4 | -175 | -100.1 | 0 | 0 | 111 | F516 C599 D603 I604 T606 L647 | F516-Q601 HydrophobicContact CD2-CB 3.77Å; F516-Q601 HydrophobicContact CE2-CB 3.71Å; F516-Q601 WeakPolarHBondContact CE2-O 3.14Å; C599-Q601 PolarHBondContact O-N 2.92Å; Q601-D603 PolarHBondContact NE2-O 2.92Å; Q601-I604 PolarHBondContact NE2-O 2.79Å; Q601-T606 WeakPolarHBondContact CA-O 3.48Å; Q601-L647 HydrophobicContact CG-CD2 4.21Å; Q601-L647 PolarHBondContact NE2-O 2.68Å; Q601-L647 VanDerWaalsContact NE2-O 3.13Å |
| 602 | S | 89.1 | Confident | 91.9 | Very high | 82 Ų | 82 | 25.8 Ų | 25.8 | 57% | 0.573 | 15% | 0.15 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -23.2 | 166.9 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | F516 T606 | F516-S602 WeakPolarHBondContact CE1-O 3.39Å; F516-S602 VanDerWaalsContact CZ-C 3.44Å; F516-S602 WeakPolarHBondContact CZ-O 3.25Å; S602-T606 PolarHBondContact N-O 2.86Å; S602-T606 WeakPolarHBondContact OG-CG2 3.47Å |
| 603 | D | 90.6 | Very high | 91.3 | Very high | 83 Ų | 83 | 26.2 Ų | 26.2 | 44% | 0.444 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 175.2 | 171.7 | -150 | -27 | 0 | 0 | 0 | 109.4 | Q601 D605 T606 | Q601-D603 PolarHBondContact NE2-O 2.92Å; D603-D605 PolarHBondContact O-N 3.46Å; D603-T606 PolarHBondContact O-N 2.94Å |
| 604 | I | 91.7 | Very high | 90.3 | Very high | 17 Ų | 17 | 27.5 Ų | 27.5 | 9% | 0.087 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -29.7 | -179.2 | -168.7 | 56.9 | 0 | 0 | 0 | 112.6 | S515 F516 V517 Q601 A646 L647 I933 V937 | S515-I604 VanDerWaalsContact O-CD1 3.25Å; S515-I604 WeakPolarHBondContact O-CD1 3.38Å; F516-I604 HydrophobicContact CB-CB 4.02Å; F516-I604 HydrophobicContact CB-CD1 4.11Å; V517-I604 HydrophobicContact CG2-CD1 3.79Å; Q601-I604 PolarHBondContact NE2-O 2.79Å; I604-A646 HydrophobicContact CD1-CB 4.44Å; I604-A646 HydrophobicContact CG1-CB 4.01Å; I604-A646 CarbonylContact O-C 3.55Å; I604-A646 WeakPolarHBondContact O-CA 3.41Å; I604-L647 PolarHBondContact O-N 2.68Å; I604-I933 HydrophobicContact CD1-CG2 4.32Å; I604-V937 HydrophobicContact CG1-CG2 3.72Å; I604-V937 HydrophobicContact CG2-CG1 4.2Å; I604-V937 HydrophobicContact CG2-CG2 4.4Å |
| 605 | D | 93.1 | Very high | 89.5 | Confident | 40 Ų | 40 | 28.2 Ų | 28.2 | 21% | 0.214 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 13 | -177.7 | 80 | -32.8 | 0 | 0 | 0 | 113.6 | D603 V627 R631 | D603-D605 PolarHBondContact O-N 3.46Å; D605-V627 WeakPolarHBondContact O-CB 3.22Å; D605-V627 WeakPolarHBondContact O-CG1 3.41Å; D605-V627 WeakPolarHBondContact O-CG2 3.2Å; D605-R631 IonicContact OD2-CZ 2.63Å; D605-R631 IonicContact OD2-NH1 3.56Å; D605-R631 IonicContact OD2-NH2 3.78Å; D605-R631 PolarHBondContact OD2-NH2 3.21Å |
| 606 | T | 92.9 | Very high | 89.1 | Confident | 38 Ų | 38 | 28.3 Ų | 28.3 | 23% | 0.233 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 125.9 | -176.3 | -54.4 | 0 | 0 | 0 | 0 | 110 | Q601 S602 D603 | Q601-T606 WeakPolarHBondContact CA-O 3.48Å; S602-T606 PolarHBondContact N-O 2.86Å; S602-T606 WeakPolarHBondContact OG-CG2 3.47Å; D603-T606 PolarHBondContact O-N 2.94Å |
| 607 | G | 93.9 | Very high | 89 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 124.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D625 V626 | G607-D625 PolarHBondContact N-OD1 3.46Å; G607-D625 WeakPolarHBondContact O-CA 3.44Å; G607-V626 PolarHBondContact O-N 2.62Å |
| 608 | T | 95.2 | Very high | 89.2 | Confident | 51 Ų | 51 | 33.1 Ų | 33.1 | 31% | 0.313 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 126.8 | 176.8 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | C599 Q600 V610 G623 E624 | C599-T608 CarbonylContact C-O 3.45Å; C599-T608 VanDerWaalsContact CA-O 3.3Å; C599-T608 WeakPolarHBondContact CA-O 3.28Å; Q600-T608 PolarHBondContact N-O 3.42Å; Q600-T608 PolarHBondContact O-N 3.01Å; Q600-T608 VanDerWaalsContact O-N 3.07Å; T608-V610 PolarHBondContact O-N 3.35Å; T608-G623 WeakPolarHBondContact CG2-O 3.32Å; T608-E624 VanDerWaalsContact CA-O 3.31Å; T608-E624 WeakPolarHBondContact CA-O 3.17Å |
| 609 | L | 94 | Very high | 89.3 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 122.8 | 171.9 | 172.7 | 58.2 | 0 | 0 | 0 | 109.9 | F595 F597 S611 W612 C621 E622 G623 E624 V626 | F595-L609 HydrophobicContact CE1-CD1 4.12Å; F597-L609 HydrophobicContact CB-CD1 3.85Å; L609-S611 WeakPolarHBondContact CD1-O 3.32Å; L609-W612 HydrophobicContact CD2-CD2 3.66Å; L609-W612 VanDerWaalsContact CD2-CE2 3.44Å; L609-W612 HydrophobicContact CD2-CE3 4.01Å; L609-W612 HydrophobicContact CD2-CG 4.22Å; L609-W612 HydrophobicContact CD2-CH2 4Å; L609-W612 HydrophobicContact CD2-CZ2 3.64Å; L609-W612 HydrophobicContact CD2-CZ3 4.17Å; L609-C621 HydrophobicContact CD2-CB 3.78Å; L609-E622 HydrophobicContact CD2-CG 4.09Å; L609-E622 HydrophobicContact CG-CG 4.29Å; L609-G623 PolarHBondContact O-N 2.82Å; L609-E624 PolarHBondContact N-O 2.93Å; L609-V626 HydrophobicContact CB-CG1 3.86Å |
| 610 | V | 89.5 | Confident | 89.5 | Confident | 65 Ų | 65 | 41.7 Ų | 41.7 | 39% | 0.394 | 24% | 0.235 | S | C | . | . | trans | -80.3 | -46.8 | 179.2 | 178.2 | 0 | 0 | 0 | 0 | 111 | P598 Q600 T608 | P598-V610 HydrophobicContact CB-CB 4.16Å; P598-V610 WeakPolarHBondContact O-CB 3.49Å; P598-V610 WeakPolarHBondContact O-CG2 3.42Å; P598-V610 PolarHBondContact O-N 3.2Å; Q600-V610 HydrophobicContact CB-CG2 3.86Å; T608-V610 PolarHBondContact O-N 3.35Å | ||
| 611 | S | 87.7 | Confident | 89.6 | Confident | 44 Ų | 44 | 38.9 Ų | 38.9 | 31% | 0.308 | 22% | 0.222 | S | C | . | . | trans | -166.9 | 146.9 | 179.6 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | P598 L609 E622 | P598-S611 WeakPolarHBondContact CD-O 3.48Å; L609-S611 WeakPolarHBondContact CD1-O 3.32Å; S611-E622 VanDerWaalsContact CA-OE1 3.26Å; S611-E622 WeakPolarHBondContact CA-OE1 3.32Å | ||
| 612 | W | 88.4 | Confident | 89.7 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | trans | -70 | 149.9 | 171.6 | -75.4 | 122.3 | 0 | 0 | 0 | 113.1 | L567 F595 F597 L609 F616 A618 C621 E622 | L567-W612 HydrophobicContact CD2-CH2 3.86Å; L567-W612 HydrophobicContact CD2-CZ2 4.02Å; F595-W612 HydrophobicContact CE1-CZ3 4.4Å; F595-W612 HydrophobicContact CE2-CH2 4.15Å; F595-W612 HydrophobicContact CE2-CZ3 4.32Å; F595-W612 AromaticContact CZ-CH2 3.58Å; F595-W612 HydrophobicContact CZ-CH2 3.58Å; F595-W612 AromaticContact CZ-CZ3 3.63Å; F595-W612 HydrophobicContact CZ-CZ3 3.63Å; F597-W612 AromaticContact CD1-CE3 3.58Å; F597-W612 HydrophobicContact CD1-CE3 3.58Å; F597-W612 AromaticContact CD1-CZ3 3.86Å; F597-W612 HydrophobicContact CD1-CZ3 3.86Å; F597-W612 HydrophobicContact CD2-CE3 4.26Å; F597-W612 AromaticContact CD2-CZ3 3.69Å; F597-W612 HydrophobicContact CD2-CZ3 3.69Å; F597-W612 AromaticContact CE1-CE3 3.67Å; F597-W612 HydrophobicContact CE1-CE3 3.67Å; F597-W612 AromaticContact CE1-CZ3 3.84Å; F597-W612 HydrophobicContact CE1-CZ3 3.84Å; F597-W612 HydrophobicContact CE2-CE3 4.35Å; F597-W612 AromaticContact CE2-CZ3 3.68Å; F597-W612 HydrophobicContact CE2-CZ3 3.68Å; F597-W612 AromaticContact CG-CE3 3.89Å; F597-W612 HydrophobicContact CG-CE3 3.89Å; F597-W612 AromaticContact CG-CZ3 3.78Å; F597-W612 HydrophobicContact CG-CZ3 3.78Å; F597-W612 HydrophobicContact CZ-CE3 4.07Å; F597-W612 AromaticContact CZ-CZ3 3.75Å; F597-W612 HydrophobicContact CZ-CZ3 3.75Å; L609-W612 HydrophobicContact CD2-CD2 3.66Å; L609-W612 VanDerWaalsContact CD2-CE2 3.44Å; L609-W612 HydrophobicContact CD2-CE3 4.01Å; L609-W612 HydrophobicContact CD2-CG 4.22Å; L609-W612 HydrophobicContact CD2-CH2 4Å; L609-W612 HydrophobicContact CD2-CZ2 3.64Å; L609-W612 HydrophobicContact CD2-CZ3 4.17Å; W612-F616 HydrophobicContact CB-CB 4.38Å; W612-F616 VanDerWaalsContact CB-O 3.25Å; W612-F616 WeakPolarHBondContact CB-O 3.26Å; W612-F616 HydrophobicContact CD2-CB 3.69Å; W612-F616 HydrophobicContact CE3-CB 3.4Å; W612-F616 VanDerWaalsContact CE3-CB 3.4Å; W612-F616 HydrophobicContact CE3-CD1 4.4Å; W612-F616 HydrophobicContact CE3-CG 4.06Å; W612-F616 HydrophobicContact CG-CB 4.16Å; W612-F616 HydrophobicContact CH2-CD1 4.2Å; W612-F616 HydrophobicContact CZ3-CB 3.88Å; W612-F616 AromaticContact CZ3-CD1 3.99Å; W612-F616 HydrophobicContact CZ3-CD1 3.99Å; W612-F616 HydrophobicContact CZ3-CG 4.05Å; W612-A618 HydrophobicContact CZ2-CB 4.1Å; W612-A618 PolarHBondContact NE1-O 3.23Å; W612-C621 HydrophobicContact CZ2-CB 3.55Å; W612-E622 HydrophobicContact CG-CG 4.44Å; W612-E622 PolarHBondContact N-OE1 3.21Å | ||
| 613 | T | 81.5 | Confident | 89.9 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | trans | -137.9 | -179.7 | 173.4 | 67.5 | 0 | 0 | 0 | 0 | 109.7 | F597 P598 G615 F616 | F597-T613 WeakPolarHBondContact CD1-OG1 3.32Å; F597-T613 WeakPolarHBondContact CE1-O 3.41Å; P598-T613 HydrophobicContact CG-CG2 4.11Å; T613-G615 PolarHBondContact O-N 2.81Å; T613-F616 PolarHBondContact O-N 2.59Å | ||
| 614 | K | 75.9 | Confident | 90.1 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 29.1 | 168 | -60.7 | 175.7 | -75.4 | 173.1 | 0 | 115.6 | G535 S596 | G535-K614 PolarHBondContact O-NZ 3.22Å; S596-K614 WeakPolarHBondContact O-CE 3.38Å; S596-K614 PolarHBondContact O-NZ 2.95Å |
| 615 | G | 77.4 | Confident | 90.4 | Very high | 15 Ų | 15 | 43 Ų | 43 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -2.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | T613 | T613-G615 PolarHBondContact O-N 2.81Š|
| 616 | F | 86.6 | Confident | 90.5 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | trans | -73.2 | 143.5 | 170.8 | -78.9 | -103.5 | 0 | 0 | 0 | 110.9 | L534 G536 I555 M560 L567 F597 W612 T613 | L534-F616 HydrophobicContact CD1-CE1 4.39Å; L534-F616 HydrophobicContact CD1-CZ 4.03Å; G536-F616 WeakPolarHBondContact O-CE2 3.48Å; G536-F616 WeakPolarHBondContact O-CZ 3.39Å; I555-F616 HydrophobicContact CD1-CZ 4.25Å; M560-F616 HydrophobicContact CB-CD1 4.19Å; M560-F616 HydrophobicContact CB-CE1 4.24Å; M560-F616 HydrophobicContact CE-CD2 3.72Å; M560-F616 HydrophobicContact CE-CE1 4.41Å; M560-F616 HydrophobicContact CE-CE2 3.51Å; M560-F616 HydrophobicContact CE-CG 4.28Å; M560-F616 HydrophobicContact CE-CZ 3.88Å; M560-F616 HydrophobicContact CG-CD1 4.34Å; M560-F616 HydrophobicContact CG-CE1 3.9Å; M560-F616 HydrophobicContact CG-CZ 4.05Å; M560-F616 HydrophobicContact SD-CZ 4.47Å; L567-F616 HydrophobicContact CD1-CE1 4.24Å; L567-F616 HydrophobicContact CD2-CD1 4.32Å; L567-F616 HydrophobicContact CD2-CE1 4.4Å; F597-F616 HydrophobicContact CE1-CB 4.19Å; F597-F616 AromaticContact CE1-CD2 3.75Å; F597-F616 HydrophobicContact CE1-CD2 3.75Å; F597-F616 HydrophobicContact CE1-CE2 4.37Å; F597-F616 HydrophobicContact CE1-CG 4.06Å; F597-F616 HydrophobicContact CZ-CB 4.38Å; F597-F616 HydrophobicContact CZ-CD1 4.33Å; F597-F616 AromaticContact CZ-CD2 3.4Å; F597-F616 HydrophobicContact CZ-CD2 3.4Å; F597-F616 VanDerWaalsContact CZ-CD2 3.4Å; F597-F616 AromaticContact CZ-CE2 3.61Å; F597-F616 HydrophobicContact CZ-CE2 3.61Å; F597-F616 AromaticContact CZ-CG 3.79Å; F597-F616 HydrophobicContact CZ-CG 3.79Å; F597-F616 HydrophobicContact CZ-CZ 4.18Å; W612-F616 HydrophobicContact CB-CB 4.38Å; W612-F616 VanDerWaalsContact CB-O 3.25Å; W612-F616 WeakPolarHBondContact CB-O 3.26Å; W612-F616 HydrophobicContact CD2-CB 3.69Å; W612-F616 HydrophobicContact CE3-CB 3.4Å; W612-F616 VanDerWaalsContact CE3-CB 3.4Å; W612-F616 HydrophobicContact CE3-CD1 4.4Å; W612-F616 HydrophobicContact CE3-CG 4.06Å; W612-F616 HydrophobicContact CG-CB 4.16Å; W612-F616 HydrophobicContact CH2-CD1 4.2Å; W612-F616 HydrophobicContact CZ3-CB 3.88Å; W612-F616 AromaticContact CZ3-CD1 3.99Å; W612-F616 HydrophobicContact CZ3-CD1 3.99Å; W612-F616 HydrophobicContact CZ3-CG 4.05Å; T613-F616 PolarHBondContact O-N 2.59Å | ||
| 617 | K | 87.9 | Confident | 90.6 | Very high | 106 Ų | 106 | 39.3 Ų | 39.3 | 46% | 0.461 | 22% | 0.221 | S | C | . | . | trans | -149.9 | 22.6 | 177.5 | -67.5 | -167.1 | 173.4 | -173.4 | 0 | 113.1 | M560 Q561 T619 | M560-K617 PolarHBondContact O-N 2.99Å; Q561-K617 HydrophobicContact CG-CB 4.38Å; K617-T619 PolarHBondContact O-N 2.78Å | ||
| 618 | A | 92.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | trans | -56 | 126.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | M560 G562 L567 W612 | M560-A618 PolarHBondContact O-N 3.18Å; G562-A618 CarbonylContact O-C 3.57Å; G562-A618 WeakPolarHBondContact O-CA 3.44Å; L567-A618 HydrophobicContact CB-CB 4.32Å; L567-A618 HydrophobicContact CD2-CB 3.88Å; W612-A618 HydrophobicContact CZ2-CB 4.1Å; W612-A618 PolarHBondContact NE1-O 3.23Å | ||
| 619 | T | 92.8 | Very high | 90.8 | Very high | 70 Ų | 70 | 40.3 Ų | 40.3 | 43% | 0.429 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -69.5 | 159.5 | -177.8 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | G562 G564 K617 C621 | G562-T619 PolarHBondContact O-N 3.3Å; G564-T619 WeakPolarHBondContact CA-O 3.46Å; G564-T619 PolarHBondContact N-O 2.89Å; K617-T619 PolarHBondContact O-N 2.78Å; T619-C621 PolarHBondContact O-N 2.89Å; T619-C621 VanDerWaalsContact O-N 3.13Å |
| 620 | D | 94.9 | Very high | 90.9 | Very high | 124 Ų | 124 | 40.3 Ų | 40.3 | 66% | 0.663 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 26.5 | 173.5 | -41.8 | -62.8 | 0 | 0 | 0 | 113.7 | M629 | D620-M629 VanDerWaalsContact O-CE 3.3Å; D620-M629 WeakPolarHBondContact O-CE 3.4Å |
| 621 | C | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -110.4 | -40.1 | 171.9 | -64.2 | 0 | 0 | 0 | 0 | 113 | G564 L609 W612 T619 G623 E624 M629 | G564-C621 WeakPolarHBondContact CA-SG 3.4Å; L609-C621 HydrophobicContact CD2-CB 3.78Å; W612-C621 HydrophobicContact CZ2-CB 3.55Å; T619-C621 PolarHBondContact O-N 2.89Å; T619-C621 VanDerWaalsContact O-N 3.13Å; C621-G623 PolarHBondContact O-N 3.09Å; C621-E624 WeakPolarHBondContact O-CB 3.46Å; C621-E624 PolarHBondContact O-N 2.78Å; C621-M629 HydrophobicContact CB-SD 4.43Å | ||
| 622 | E | 93.6 | Very high | 91.5 | Very high | 106 Ų | 106 | 44.6 Ų | 44.6 | 50% | 0.495 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 127.6 | -179.5 | -65.1 | -174.4 | 160.2 | 0 | 0 | 109.9 | L609 S611 W612 E624 | L609-E622 HydrophobicContact CD2-CG 4.09Å; L609-E622 HydrophobicContact CG-CG 4.29Å; S611-E622 VanDerWaalsContact CA-OE1 3.26Å; S611-E622 WeakPolarHBondContact CA-OE1 3.32Å; W612-E622 HydrophobicContact CG-CG 4.44Å; W612-E622 PolarHBondContact N-OE1 3.21Å; E622-E624 VanDerWaalsContact C-N 3.32Å |
| 623 | G | 93.8 | Very high | 91.9 | Very high | 49 Ų | 49 | 43.5 Ų | 43.5 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -9.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T608 L609 C621 | T608-G623 WeakPolarHBondContact CG2-O 3.32Å; L609-G623 PolarHBondContact O-N 2.82Å; C621-G623 PolarHBondContact O-N 3.09Å |
| 624 | E | 96.1 | Very high | 92.5 | Very high | 107 Ų | 107 | 43.5 Ų | 43.5 | 50% | 0.5 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -99.8 | 152.9 | 178.7 | -61.5 | -57.3 | 144.9 | 0 | 0 | 112.8 | T608 L609 C621 E622 V626 M629 | T608-E624 VanDerWaalsContact CA-O 3.31Å; T608-E624 WeakPolarHBondContact CA-O 3.17Å; L609-E624 PolarHBondContact N-O 2.93Å; C621-E624 WeakPolarHBondContact O-CB 3.46Å; C621-E624 PolarHBondContact O-N 2.78Å; E622-E624 VanDerWaalsContact C-N 3.32Å; E624-V626 PolarHBondContact O-N 2.87Å; E624-M629 HydrophobicContact CB-CG 4.37Å; E624-M629 HydrophobicContact CB-SD 3.8Å |
| 625 | D | 96.6 | Very high | 93.4 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 109.3 | 174.7 | 172.3 | 35 | 0 | 0 | 0 | 111.1 | G607 V627 S628 M629 | G607-D625 PolarHBondContact N-OD1 3.46Å; G607-D625 WeakPolarHBondContact O-CA 3.44Å; D625-V627 PolarHBondContact O-N 2.78Å; D625-V627 PolarHBondContact OD1-N 3.38Å; D625-S628 WeakPolarHBondContact O-CB 2.95Å; D625-S628 PolarHBondContact O-N 3.14Å; D625-S628 VanDerWaalsContact O-N 3.1Å; D625-S628 VanDerWaalsContact OD2-CB 3.24Å; D625-S628 WeakPolarHBondContact OD2-CB 3.38Å; D625-S628 PolarHBondContact OD2-N 3.04Å; D625-S628 VanDerWaalsContact OD2-N 3.13Å; D625-S628 PolarHBondContact OD2-OG 3.19Å; D625-M629 WeakPolarHBondContact O-CG 3.45Å; D625-M629 PolarHBondContact O-N 3.48Å |
| 626 | V | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.8 | -24.7 | -173.4 | -59.9 | 0 | 0 | 0 | 0 | 113.2 | F568 F595 G607 L609 E624 L630 L647 | F568-V626 HydrophobicContact CE1-CB 4.28Å; F568-V626 VanDerWaalsContact CE1-O 3.23Å; F568-V626 WeakPolarHBondContact CE1-O 3.38Å; F568-V626 HydrophobicContact CZ-CB 3.86Å; F568-V626 HydrophobicContact CZ-CG1 4.13Å; F595-V626 HydrophobicContact CD1-CG1 4.4Å; F595-V626 HydrophobicContact CD1-CG2 4.14Å; F595-V626 HydrophobicContact CE1-CB 4.38Å; F595-V626 HydrophobicContact CE1-CG1 3.76Å; F595-V626 HydrophobicContact CE1-CG2 4.33Å; F595-V626 HydrophobicContact CE2-CG1 4.42Å; F595-V626 HydrophobicContact CG-CG2 4.31Å; F595-V626 HydrophobicContact CZ-CB 4.35Å; F595-V626 HydrophobicContact CZ-CG1 3.78Å; G607-V626 PolarHBondContact O-N 2.62Å; L609-V626 HydrophobicContact CB-CG1 3.86Å; E624-V626 PolarHBondContact O-N 2.87Å; V626-L630 PolarHBondContact O-N 3.5Å; V626-L630 VanDerWaalsContact O-N 3.16Å; V626-L647 HydrophobicContact CG2-CD1 3.7Å; V626-L647 HydrophobicContact CG2-CD2 3.81Å; V626-L647 HydrophobicContact CG2-CG 4.44Å |
| 627 | V | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.1 | -43.9 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 110 | D605 D625 M629 L630 R631 I644 L647 | D605-V627 WeakPolarHBondContact O-CB 3.22Å; D605-V627 WeakPolarHBondContact O-CG1 3.41Å; D605-V627 WeakPolarHBondContact O-CG2 3.2Å; D625-V627 PolarHBondContact O-N 2.78Å; D625-V627 PolarHBondContact OD1-N 3.38Å; V627-M629 VanDerWaalsContact C-N 3.34Å; V627-M629 PolarHBondContact O-N 3.22Å; V627-L630 PolarHBondContact O-N 3.37Å; V627-R631 HydrophobicContact CG1-CG 4.39Å; V627-R631 VanDerWaalsContact CG1-CZ 3.42Å; V627-R631 VanDerWaalsContact O-CG 3.3Å; V627-R631 WeakPolarHBondContact O-CG 3.2Å; V627-R631 PolarHBondContact O-N 3.07Å; V627-I644 HydrophobicContact CG1-CB 4.03Å; V627-I644 HydrophobicContact CG1-CD1 4.21Å; V627-I644 HydrophobicContact CG1-CG2 3.68Å; V627-I644 HydrophobicContact CG2-CG2 4.45Å; V627-L647 HydrophobicContact CG2-CB 3.86Å; V627-L647 HydrophobicContact CG2-CD1 3.99Å; V627-L647 HydrophobicContact CG2-CD2 4.22Å; V627-L647 HydrophobicContact CG2-CG 4.25Å |
| 628 | S | 95.6 | Very high | 94.6 | Very high | 48 Ų | 48 | 59.4 Ų | 59.4 | 34% | 0.336 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 172.8 | -67.9 | 0 | 0 | 0 | 0 | 111.7 | D625 L630 R631 E632 | D625-S628 WeakPolarHBondContact O-CB 2.95Å; D625-S628 PolarHBondContact O-N 3.14Å; D625-S628 VanDerWaalsContact O-N 3.1Å; D625-S628 VanDerWaalsContact OD2-CB 3.24Å; D625-S628 WeakPolarHBondContact OD2-CB 3.38Å; D625-S628 PolarHBondContact OD2-N 3.04Å; D625-S628 VanDerWaalsContact OD2-N 3.13Å; D625-S628 PolarHBondContact OD2-OG 3.19Å; S628-L630 VanDerWaalsContact C-N 3.33Å; S628-L630 PolarHBondContact O-N 3.41Å; S628-R631 WeakPolarHBondContact O-CB 3.35Å; S628-R631 PolarHBondContact O-N 2.97Å; S628-R631 VanDerWaalsContact O-N 3.15Å; S628-E632 WeakPolarHBondContact O-CG 3.39Å; S628-E632 PolarHBondContact O-N 3.41Å |
| 629 | M | 96.8 | Very high | 94.4 | Very high | 25 Ų | 25 | 62.1 Ų | 62.1 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.6 | -43.6 | 175.8 | -63.4 | -175.2 | 84.2 | 0 | 0 | 112.4 | F568 D620 C621 E624 D625 V627 E632 A633 | F568-M629 HydrophobicContact CD1-CB 3.9Å; F568-M629 HydrophobicContact CD2-CB 3.83Å; F568-M629 HydrophobicContact CD2-CE 3.84Å; F568-M629 HydrophobicContact CD2-SD 4.06Å; F568-M629 HydrophobicContact CE1-CB 3.94Å; F568-M629 HydrophobicContact CE2-CB 3.89Å; F568-M629 HydrophobicContact CE2-CE 3.88Å; F568-M629 HydrophobicContact CE2-CG 4.39Å; F568-M629 HydrophobicContact CE2-SD 3.57Å; F568-M629 VanDerWaalsContact CE2-SD 3.57Å; F568-M629 HydrophobicContact CG-CB 3.84Å; F568-M629 HydrophobicContact CZ-CB 3.94Å; F568-M629 HydrophobicContact CZ-SD 4.09Å; D620-M629 VanDerWaalsContact O-CE 3.3Å; D620-M629 WeakPolarHBondContact O-CE 3.4Å; C621-M629 HydrophobicContact CB-SD 4.43Å; E624-M629 HydrophobicContact CB-CG 4.37Å; E624-M629 HydrophobicContact CB-SD 3.8Å; D625-M629 WeakPolarHBondContact O-CG 3.45Å; D625-M629 PolarHBondContact O-N 3.48Å; V627-M629 VanDerWaalsContact C-N 3.34Å; V627-M629 PolarHBondContact O-N 3.22Å; M629-E632 PolarHBondContact O-N 3.49Å; M629-A633 PolarHBondContact O-N 3.29Å |
| 630 | L | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 176.5 | -174.7 | 56 | 0 | 0 | 0 | 112.1 | L532 F568 L571 F593 V626 V627 S628 E632 A633 I634 I644 | L532-L630 HydrophobicContact CD1-CD2 3.83Å; F568-L630 HydrophobicContact CD1-CB 3.79Å; F568-L630 HydrophobicContact CD1-CD1 4.28Å; F568-L630 HydrophobicContact CE1-CB 4.09Å; L571-L630 HydrophobicContact CB-CD1 4.19Å; F593-L630 HydrophobicContact CD1-CD2 3.8Å; F593-L630 HydrophobicContact CE1-CB 4.35Å; F593-L630 HydrophobicContact CE1-CD2 3.74Å; F593-L630 HydrophobicContact CE2-CD2 4.45Å; F593-L630 HydrophobicContact CG-CD2 4.2Å; F593-L630 HydrophobicContact CZ-CD2 4.07Å; V626-L630 PolarHBondContact O-N 3.5Å; V626-L630 VanDerWaalsContact O-N 3.16Å; V627-L630 PolarHBondContact O-N 3.37Å; S628-L630 VanDerWaalsContact C-N 3.33Å; S628-L630 PolarHBondContact O-N 3.41Å; L630-E632 VanDerWaalsContact C-N 3.3Å; L630-E632 PolarHBondContact O-N 3.39Å; L630-A633 PolarHBondContact O-N 3.24Å; L630-I634 HydrophobicContact CD1-CD1 4.34Å; L630-I634 HydrophobicContact CD1-CG1 4.43Å; L630-I634 HydrophobicContact CG-CD1 4.08Å; L630-I634 VanDerWaalsContact O-CG1 3.24Å; L630-I634 WeakPolarHBondContact O-CG1 3.47Å; L630-I634 PolarHBondContact O-N 2.72Å; L630-I644 HydrophobicContact CB-CD1 4.08Å; L630-I644 HydrophobicContact CD2-CD1 3.62Å; L630-I644 HydrophobicContact CG-CD1 3.79Å |
| 631 | R | 95.3 | Very high | 94 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 33% | 0.325 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 174.7 | -73.2 | 171.8 | 176.7 | 151.5 | -2.1 | 111.1 | D605 V627 S628 I634 K635 I644 | D605-R631 IonicContact OD2-CZ 2.63Å; D605-R631 IonicContact OD2-NH1 3.56Å; D605-R631 IonicContact OD2-NH2 3.78Å; D605-R631 PolarHBondContact OD2-NH2 3.21Å; V627-R631 HydrophobicContact CG1-CG 4.39Å; V627-R631 VanDerWaalsContact CG1-CZ 3.42Å; V627-R631 VanDerWaalsContact O-CG 3.3Å; V627-R631 WeakPolarHBondContact O-CG 3.2Å; V627-R631 PolarHBondContact O-N 3.07Å; S628-R631 WeakPolarHBondContact O-CB 3.35Å; S628-R631 PolarHBondContact O-N 2.97Å; S628-R631 VanDerWaalsContact O-N 3.15Å; R631-I634 PolarHBondContact O-N 3.09Å; R631-K635 WeakPolarHBondContact O-CB 3.48Å; R631-K635 PolarHBondContact O-N 3.29Å; R631-I644 HydrophobicContact CG-CD1 4.1Å; R631-I644 PolarHBondContact NH2-O 2.63Å |
| 632 | E | 95.8 | Very high | 93.8 | Very high | 112 Ų | 112 | 58.2 Ų | 58.2 | 52% | 0.523 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | 176.8 | -72.8 | -176.9 | 172 | 0 | 0 | 112.5 | S628 M629 L630 I634 K635 R636 | S628-E632 WeakPolarHBondContact O-CG 3.39Å; S628-E632 PolarHBondContact O-N 3.41Å; M629-E632 PolarHBondContact O-N 3.49Å; L630-E632 VanDerWaalsContact C-N 3.3Å; L630-E632 PolarHBondContact O-N 3.39Å; E632-I634 PolarHBondContact O-N 3.2Å; E632-K635 CarbonylContact O-C 3.59Å; E632-K635 WeakPolarHBondContact O-CB 3.35Å; E632-K635 PolarHBondContact O-N 3.37Å; E632-R636 WeakPolarHBondContact O-CG 3.29Å; E632-R636 PolarHBondContact O-N 2.91Å; E632-R636 IonicContact OE2-NH1 3.16Å |
| 633 | A | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F568 D569 A572 M629 L630 K635 R636 R637 | F568-A633 HydrophobicContact CB-CB 3.97Å; F568-A633 VanDerWaalsContact O-CB 3.32Å; F568-A633 WeakPolarHBondContact O-CB 3.42Å; D569-A633 WeakPolarHBondContact OD1-CB 3.3Å; A572-A633 HydrophobicContact CB-CB 3.87Å; M629-A633 PolarHBondContact O-N 3.29Å; L630-A633 PolarHBondContact O-N 3.24Å; A633-K635 VanDerWaalsContact C-N 3.32Å; A633-K635 PolarHBondContact O-N 3.36Å; A633-R636 VanDerWaalsContact CA-NH2 3.33Å; A633-R636 PolarHBondContact O-N 3.22Å; A633-R637 WeakPolarHBondContact O-CG 3.43Å; A633-R637 PolarHBondContact O-N 2.69Å |
| 634 | I | 94.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 53.4 Ų | 53.4 | 5% | 0.046 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 174.9 | -65.4 | 168.5 | 0 | 0 | 0 | 110.4 | A572 L630 R631 E632 R637 N638 F640 L642 I644 | A572-I634 HydrophobicContact CB-CG1 4.12Å; L630-I634 HydrophobicContact CD1-CD1 4.34Å; L630-I634 HydrophobicContact CD1-CG1 4.43Å; L630-I634 HydrophobicContact CG-CD1 4.08Å; L630-I634 VanDerWaalsContact O-CG1 3.24Å; L630-I634 WeakPolarHBondContact O-CG1 3.47Å; L630-I634 PolarHBondContact O-N 2.72Å; R631-I634 PolarHBondContact O-N 3.09Å; E632-I634 PolarHBondContact O-N 3.2Å; I634-R637 PolarHBondContact O-N 2.79Å; I634-N638 PolarHBondContact O-N 3.37Å; I634-N638 VanDerWaalsContact O-N 3.13Å; I634-F640 HydrophobicContact CB-CZ 4.35Å; I634-F640 HydrophobicContact CD1-CE2 4.12Å; I634-F640 HydrophobicContact CD1-CZ 4.33Å; I634-F640 HydrophobicContact CG1-CE2 3.97Å; I634-F640 HydrophobicContact CG1-CZ 3.74Å; I634-F640 HydrophobicContact CG2-CD2 4.22Å; I634-F640 HydrophobicContact CG2-CE1 4.46Å; I634-F640 HydrophobicContact CG2-CE2 3.82Å; I634-F640 HydrophobicContact CG2-CZ 3.98Å; I634-L642 HydrophobicContact CD1-CB 4.02Å; I634-L642 HydrophobicContact CD1-CD2 4.05Å; I634-I644 HydrophobicContact CD1-CD1 4.42Å |
| 635 | K | 94.2 | Very high | 93.6 | Very high | 170 Ų | 170 | 48.8 Ų | 48.8 | 74% | 0.739 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -65.1 | -40.3 | 177.5 | -173.2 | -179.2 | 178.1 | -175.4 | 0 | 112.8 | R631 E632 A633 R637 N638 | R631-K635 WeakPolarHBondContact O-CB 3.48Å; R631-K635 PolarHBondContact O-N 3.29Å; E632-K635 CarbonylContact O-C 3.59Å; E632-K635 WeakPolarHBondContact O-CB 3.35Å; E632-K635 PolarHBondContact O-N 3.37Å; A633-K635 VanDerWaalsContact C-N 3.32Å; A633-K635 PolarHBondContact O-N 3.36Å; K635-R637 VanDerWaalsContact C-N 3.26Å; K635-R637 PolarHBondContact O-N 3.33Å; K635-N638 PolarHBondContact O-N 3.47Å |
| 636 | R | 95.6 | Very high | 93.5 | Very high | 103 Ų | 103 | 47.8 Ų | 47.8 | 39% | 0.389 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59 | -38.5 | 175 | -78.8 | -170.3 | -67.5 | -88.2 | 1.6 | 111.4 | D569 E632 A633 | D569-R636 IonicContact OD1-CZ 2.66Å; D569-R636 VanDerWaalsContact OD1-CZ 3.29Å; D569-R636 IonicContact OD1-NE 3.13Å; D569-R636 PolarHBondContact OD1-NE 3.17Å; D569-R636 IonicContact OD1-NH2 3.27Å; D569-R636 PolarHBondContact OD1-NH2 3.28Å; D569-R636 IonicContact OD2-NE 3Å; E632-R636 WeakPolarHBondContact O-CG 3.29Å; E632-R636 PolarHBondContact O-N 2.91Å; E632-R636 IonicContact OE2-NH1 3.16Å; A633-R636 VanDerWaalsContact CA-NH2 3.33Å; A633-R636 PolarHBondContact O-N 3.22Å |
| 637 | R | 92.1 | Very high | 93.5 | Very high | 70 Ų | 70 | 48 Ų | 48 | 26% | 0.264 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.9 | -39.9 | 176.8 | -68.1 | -175.9 | 63.7 | 84.9 | 5.8 | 113.9 | A572 Q573 A633 I634 K635 D639 | A572-R637 HydrophobicContact CB-CG 4.46Å; Q573-R637 VanDerWaalsContact OE1-CZ 3.3Å; Q573-R637 VanDerWaalsContact OE1-NH2 3.11Å; A633-R637 WeakPolarHBondContact O-CG 3.43Å; A633-R637 PolarHBondContact O-N 2.69Å; I634-R637 PolarHBondContact O-N 2.79Å; K635-R637 VanDerWaalsContact C-N 3.26Å; K635-R637 PolarHBondContact O-N 3.33Å; R637-D639 WeakPolarHBondContact CB-OD1 3.5Å; R637-D639 IonicContact CZ-OD1 3.17Å; R637-D639 IonicContact CZ-OD2 3.83Å; R637-D639 IonicContact NE-OD1 2.99Å; R637-D639 PolarHBondContact NE-OD1 3.34Å; R637-D639 IonicContact NE-OD2 2.64Å; R637-D639 IonicContact NH2-OD1 3.99Å; R637-D639 IonicContact NH2-OD2 3.12Å; R637-D639 PolarHBondContact NH2-OD2 2.72Å; R637-D639 VanDerWaalsContact NH2-OD2 3.16Å; R637-D639 PolarHBondContact O-N 3.2Å; R637-D639 VanDerWaalsContact O-N 3.13Å |
| 638 | N | 89.5 | Confident | 93.4 | Very high | 143 Ų | 143 | 48.1 Ų | 48.1 | 77% | 0.765 | 23% | 0.229 | S | C | * | . | trans | 55.1 | 28.4 | 177.5 | -164.3 | 39.5 | 0 | 0 | 0 | 115 | I634 K635 | I634-N638 PolarHBondContact O-N 3.37Å; I634-N638 VanDerWaalsContact O-N 3.13Å; K635-N638 PolarHBondContact O-N 3.47Å | ||
| 639 | D | 87.7 | Confident | 93.3 | Very high | 59 Ų | 59 | 46.2 Ų | 46.2 | 32% | 0.316 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -120.3 | -4.1 | -177.6 | 73.7 | -27.3 | 0 | 0 | 0 | 115.2 | C576 K585 R637 | C576-D639 PolarHBondContact SG-OD2 3.16Å; K585-D639 WeakPolarHBondContact CE-O 3.16Å; K585-D639 WeakPolarHBondContact CE-OD2 3.43Å; K585-D639 IonicContact NZ-OD2 2.89Å; K585-D639 PolarHBondContact NZ-OD2 2.85Å; R637-D639 WeakPolarHBondContact CB-OD1 3.5Å; R637-D639 IonicContact CZ-OD1 3.17Å; R637-D639 IonicContact CZ-OD2 3.83Å; R637-D639 IonicContact NE-OD1 2.99Å; R637-D639 PolarHBondContact NE-OD1 3.34Å; R637-D639 IonicContact NE-OD2 2.64Å; R637-D639 IonicContact NH2-OD1 3.99Å; R637-D639 IonicContact NH2-OD2 3.12Å; R637-D639 PolarHBondContact NH2-OD2 2.72Å; R637-D639 VanDerWaalsContact NH2-OD2 3.16Å; R637-D639 PolarHBondContact O-N 3.2Å; R637-D639 VanDerWaalsContact O-N 3.13Å |
| 640 | F | 92.2 | Very high | 93.1 | Very high | 19 Ų | 19 | 46 Ų | 46 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | trans | -154.6 | 170.2 | 167.9 | 70.1 | -82.3 | 0 | 0 | 0 | 110.7 | V575 C576 L579 K585 I634 L642 | V575-F640 HydrophobicContact CB-CE2 4.32Å; V575-F640 HydrophobicContact CB-CZ 4.03Å; V575-F640 HydrophobicContact CG1-CE2 3.62Å; V575-F640 HydrophobicContact CG1-CZ 3.85Å; C576-F640 HydrophobicContact CB-CD1 3.73Å; C576-F640 HydrophobicContact CB-CE1 3.52Å; C576-F640 HydrophobicContact CB-CZ 4.39Å; L579-F640 HydrophobicContact CD1-CB 4.14Å; L579-F640 HydrophobicContact CD1-CD2 3.4Å; L579-F640 HydrophobicContact CD1-CE2 3.94Å; L579-F640 HydrophobicContact CD1-CG 3.87Å; K585-F640 HydrophobicContact CG-CB 4.07Å; I634-F640 HydrophobicContact CB-CZ 4.35Å; I634-F640 HydrophobicContact CD1-CE2 4.12Å; I634-F640 HydrophobicContact CD1-CZ 4.33Å; I634-F640 HydrophobicContact CG1-CE2 3.97Å; I634-F640 HydrophobicContact CG1-CZ 3.74Å; I634-F640 HydrophobicContact CG2-CD2 4.22Å; I634-F640 HydrophobicContact CG2-CE1 4.46Å; I634-F640 HydrophobicContact CG2-CE2 3.82Å; I634-F640 HydrophobicContact CG2-CZ 3.98Å; F640-L642 HydrophobicContact CD2-CB 4.49Å; F640-L642 HydrophobicContact CE2-CB 4.25Å | ||
| 641 | D | 88.2 | Confident | 93.1 | Very high | 81 Ų | 81 | 46 Ų | 46 | 43% | 0.433 | 21% | 0.214 | S | C | . | . | trans | -129.9 | 144.1 | 175.8 | -170.6 | 22.2 | 0 | 0 | 0 | 110.8 | R588 | R588-D641 VanDerWaalsContact CD-OD2 3.26Å; R588-D641 WeakPolarHBondContact CD-OD2 3.49Å; R588-D641 IonicContact NE-OD2 4Å | ||
| 642 | L | 89.5 | Confident | 93.1 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | trans | -143.7 | 133.9 | -175.1 | -169.5 | 72.7 | 0 | 0 | 0 | 110.5 | L530 L532 V575 A591 I634 F640 I644 | L530-L642 HydrophobicContact CD1-CD1 3.31Å; L532-L642 HydrophobicContact CD1-CD2 3.91Å; V575-L642 HydrophobicContact CG1-CD2 4.36Å; A591-L642 HydrophobicContact CB-CD1 3.84Å; A591-L642 HydrophobicContact CB-CD2 3.82Å; A591-L642 HydrophobicContact CB-CG 3.83Å; I634-L642 HydrophobicContact CD1-CB 4.02Å; I634-L642 HydrophobicContact CD1-CD2 4.05Å; F640-L642 HydrophobicContact CD2-CB 4.49Å; F640-L642 HydrophobicContact CE2-CB 4.25Å; L642-I644 HydrophobicContact CD2-CG1 4.02Å; L642-I644 HydrophobicContact CG-CG1 4.43Å | ||
| 643 | D | 91.1 | Very high | 93.1 | Very high | 51 Ų | 51 | 36.6 Ų | 36.6 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 93.6 | 177.4 | -161.6 | 41 | 0 | 0 | 0 | 110.2 | R588 L589 P590 A591 V645 | R588-D643 HydrophobicContact CG-CB 4.28Å; R588-D643 IonicContact CZ-OD1 3.44Å; R588-D643 IonicContact NE-OD1 3.68Å; R588-D643 IonicContact NH2-OD1 2.94Å; R588-D643 PolarHBondContact NH2-OD1 3.33Å; L589-D643 PolarHBondContact O-N 3.37Å; P590-D643 CarbonylContact C-O 3.41Å; P590-D643 WeakPolarHBondContact CA-O 3.4Å; A591-D643 PolarHBondContact N-O 3Å; D643-V645 HydrophobicContact CB-CG1 4.46Å; D643-V645 PolarHBondContact O-N 2.78Å; D643-V645 WeakPolarHBondContact OD2-CG1 3.22Å |
| 644 | I | 93.7 | Very high | 93 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 106 | 176.7 | -57.2 | 164.5 | 0 | 0 | 0 | 107.9 | F593 V627 L630 R631 I634 L642 | F593-I644 HydrophobicContact CB-CG2 4.11Å; V627-I644 HydrophobicContact CG1-CB 4.03Å; V627-I644 HydrophobicContact CG1-CD1 4.21Å; V627-I644 HydrophobicContact CG1-CG2 3.68Å; V627-I644 HydrophobicContact CG2-CG2 4.45Å; L630-I644 HydrophobicContact CB-CD1 4.08Å; L630-I644 HydrophobicContact CD2-CD1 3.62Å; L630-I644 HydrophobicContact CG-CD1 3.79Å; R631-I644 HydrophobicContact CG-CD1 4.1Å; R631-I644 PolarHBondContact NH2-O 2.63Å; I634-I644 HydrophobicContact CD1-CD1 4.42Å; L642-I644 HydrophobicContact CD2-CG1 4.02Å; L642-I644 HydrophobicContact CG-CG1 4.43Å |
| 645 | V | 94.2 | Very high | 93.1 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -13 | -173.5 | -62.3 | 0 | 0 | 0 | 0 | 113.3 | P590 A591 D643 A934 | P590-V645 HydrophobicContact CB-CG1 4.06Å; P590-V645 HydrophobicContact CB-CG2 4.16Å; A591-V645 PolarHBondContact O-N 3.13Å; D643-V645 HydrophobicContact CB-CG1 4.46Å; D643-V645 PolarHBondContact O-N 2.78Å; D643-V645 WeakPolarHBondContact OD2-CG1 3.22Å; V645-A934 HydrophobicContact CG2-CB 3.49Å; V645-A934 VanDerWaalsContact CG2-CB 3.49Å |
| 646 | A | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 138.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | F593 I604 V648 I933 | F593-A646 PolarHBondContact N-O 2.98Å; I604-A646 HydrophobicContact CD1-CB 4.44Å; I604-A646 HydrophobicContact CG1-CB 4.01Å; I604-A646 CarbonylContact O-C 3.55Å; I604-A646 WeakPolarHBondContact O-CA 3.41Å; A646-V648 HydrophobicContact CB-CG2 4.11Å; A646-I933 HydrophobicContact CB-CG2 3.82Å |
| 647 | L | 95.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.9 | 162.8 | -177.6 | 68.4 | 0 | 0 | 0 | 108.4 | F593 F595 C599 Q601 I604 V626 V627 | F593-L647 HydrophobicContact CB-CD1 4.46Å; F593-L647 HydrophobicContact CD1-CD1 3.92Å; F593-L647 HydrophobicContact CG-CD1 4.3Å; F593-L647 CarbonylContact O-C 3.59Å; F593-L647 WeakPolarHBondContact O-CA 3.38Å; F595-L647 HydrophobicContact CB-CD1 3.62Å; F595-L647 HydrophobicContact CG-CD1 4.45Å; C599-L647 HydrophobicContact CB-CD2 4.14Å; Q601-L647 HydrophobicContact CG-CD2 4.21Å; Q601-L647 PolarHBondContact NE2-O 2.68Å; Q601-L647 VanDerWaalsContact NE2-O 3.13Å; I604-L647 PolarHBondContact O-N 2.68Å; V626-L647 HydrophobicContact CG2-CD1 3.7Å; V626-L647 HydrophobicContact CG2-CD2 3.81Å; V626-L647 HydrophobicContact CG2-CG 4.44Å; V627-L647 HydrophobicContact CG2-CB 3.86Å; V627-L647 HydrophobicContact CG2-CD1 3.99Å; V627-L647 HydrophobicContact CG2-CD2 4.22Å; V627-L647 HydrophobicContact CG2-CG 4.25Å |
| 648 | V | 94.2 | Very high | 93 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.024 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 136.9 | -167.9 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | F593 T594 F595 A646 V652 A930 I933 | F593-V648 PolarHBondContact O-N 2.84Å; T594-V648 CarbonylContact C-O 3.52Å; T594-V648 WeakPolarHBondContact CA-O 3.47Å; F595-V648 PolarHBondContact N-O 2.67Å; A646-V648 HydrophobicContact CB-CG2 4.11Å; V648-V652 HydrophobicContact CG1-CB 4.25Å; V648-V652 HydrophobicContact CG1-CG1 4.48Å; V648-A930 HydrophobicContact CG2-CB 4.39Å; V648-I933 HydrophobicContact CB-CD1 4.19Å; V648-I933 HydrophobicContact CG1-CD1 3.43Å; V648-I933 VanDerWaalsContact CG1-CD1 3.43Å; V648-I933 HydrophobicContact CG2-CB 4.28Å; V648-I933 HydrophobicContact CG2-CD1 3.61Å; V648-I933 HydrophobicContact CG2-CG2 4.07Å |
| 649 | N | 94 | Very high | 93.2 | Very high | 8 Ų | 8 | 13.4 Ų | 13.4 | 4% | 0.043 | 7% | 0.072 | C | C | . | . | trans | -83.9 | 146.6 | 166.5 | -176.9 | -94.8 | 0 | 0 | 0 | 110.3 | T651 V652 G653 N735 | N649-T651 VanDerWaalsContact C-N 3.26Å; N649-T651 PolarHBondContact O-N 2.87Å; N649-T651 WeakPolarHBondContact OD1-CB 3.37Å; N649-T651 PolarHBondContact OD1-N 3.41Å; N649-T651 VanDerWaalsContact OD1-N 3.13Å; N649-T651 PolarHBondContact OD1-OG1 3.45Å; N649-V652 HydrophobicContact CB-CG2 4.12Å; N649-V652 WeakPolarHBondContact O-CA 3.5Å; N649-V652 WeakPolarHBondContact O-CB 3.49Å; N649-V652 PolarHBondContact O-N 3.04Å; N649-G653 PolarHBondContact O-N 2.88Å; N649-N735 PolarHBondContact ND2-ND2 3.05Å | ||
| 650 | D | 92.9 | Very high | 93.3 | Very high | 20 Ų | 20 | 15.5 Ų | 15.5 | 11% | 0.107 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.3 | -35.6 | -178.6 | 51.5 | 3 | 0 | 0 | 0 | 114.2 | T594 S596 V652 G653 T654 I670 | T594-D650 HydrophobicContact CG2-CB 4.02Å; S596-D650 WeakPolarHBondContact CB-OD2 3.29Å; S596-D650 WeakPolarHBondContact OG-CB 3.41Å; S596-D650 PolarHBondContact OG-OD2 3.42Å; D650-V652 VanDerWaalsContact C-N 3.3Å; D650-V652 PolarHBondContact O-N 2.84Å; D650-G653 PolarHBondContact O-N 3.15Å; D650-T654 VanDerWaalsContact O-CB 3.29Å; D650-T654 WeakPolarHBondContact O-CB 3.5Å; D650-T654 PolarHBondContact O-N 3.07Å; D650-T654 PolarHBondContact O-OG1 2.92Å; D650-I670 HydrophobicContact CB-CD1 4.39Å; D650-I670 HydrophobicContact CB-CG1 4.38Å |
| 651 | T | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | 173.6 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | N649 T654 M655 I670 N676 C678 | N649-T651 VanDerWaalsContact C-N 3.26Å; N649-T651 PolarHBondContact O-N 2.87Å; N649-T651 WeakPolarHBondContact OD1-CB 3.37Å; N649-T651 PolarHBondContact OD1-N 3.41Å; N649-T651 VanDerWaalsContact OD1-N 3.13Å; N649-T651 PolarHBondContact OD1-OG1 3.45Å; T651-T654 PolarHBondContact O-N 3.46Å; T651-M655 PolarHBondContact O-N 3.32Å; T651-I670 HydrophobicContact CG2-CB 4.2Å; T651-I670 HydrophobicContact CG2-CG1 3.62Å; T651-N676 VanDerWaalsContact CG2-C 3.47Å; T651-N676 HydrophobicContact CG2-CB 3.65Å; T651-C678 PolarHBondContact O-SG 3.19Å; T651-C678 WeakPolarHBondContact OG1-CB 3.45Å |
| 652 | V | 95.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.6 | -45.2 | 179.2 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | V517 V648 N649 D650 T654 M655 M656 C678 C733 I933 | V517-V652 HydrophobicContact CG2-CG1 4.09Å; V648-V652 HydrophobicContact CG1-CB 4.25Å; V648-V652 HydrophobicContact CG1-CG1 4.48Å; N649-V652 HydrophobicContact CB-CG2 4.12Å; N649-V652 WeakPolarHBondContact O-CA 3.5Å; N649-V652 WeakPolarHBondContact O-CB 3.49Å; N649-V652 PolarHBondContact O-N 3.04Å; D650-V652 VanDerWaalsContact C-N 3.3Å; D650-V652 PolarHBondContact O-N 2.84Å; V652-T654 VanDerWaalsContact C-N 3.31Å; V652-T654 PolarHBondContact O-N 3.31Å; V652-M655 WeakPolarHBondContact O-CB 3.26Å; V652-M655 PolarHBondContact O-N 3.42Å; V652-M656 HydrophobicContact CG1-CG 4.43Å; V652-M656 WeakPolarHBondContact O-CB 3.35Å; V652-M656 WeakPolarHBondContact O-CG 3.44Å; V652-M656 PolarHBondContact O-N 3.47Å; V652-C678 VanDerWaalsContact CA-SG 3.53Å; V652-C678 HydrophobicContact CG2-CB 3.85Å; V652-C678 PolarHBondContact N-SG 2.87Å; V652-C733 HydrophobicContact CG1-CB 4.42Å; V652-I933 HydrophobicContact CG1-CD1 4.02Å |
| 653 | G | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.3 | -43.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | N649 D650 M655 M656 S657 G929 | N649-G653 PolarHBondContact O-N 2.88Å; D650-G653 PolarHBondContact O-N 3.15Å; G653-M655 PolarHBondContact O-N 3.41Å; G653-M656 PolarHBondContact O-N 3.11Å; G653-S657 WeakPolarHBondContact O-CB 3.31Å; G653-S657 PolarHBondContact O-N 3.15Å; G653-G929 VanDerWaalsContact O-CA 3.27Å; G653-G929 WeakPolarHBondContact O-CA 2.98Å |
| 654 | T | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 178 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | D650 T651 V652 M656 S657 C658 I670 D890 | D650-T654 VanDerWaalsContact O-CB 3.29Å; D650-T654 WeakPolarHBondContact O-CB 3.5Å; D650-T654 PolarHBondContact O-N 3.07Å; D650-T654 PolarHBondContact O-OG1 2.92Å; T651-T654 PolarHBondContact O-N 3.46Å; V652-T654 VanDerWaalsContact C-N 3.31Å; V652-T654 PolarHBondContact O-N 3.31Å; T654-M656 VanDerWaalsContact C-N 3.34Å; T654-M656 PolarHBondContact O-N 3.46Å; T654-S657 PolarHBondContact O-N 2.71Å; T654-C658 PolarHBondContact O-N 2.86Å; T654-C658 VanDerWaalsContact O-N 3.1Å; T654-C658 PolarHBondContact O-SG 2.89Å; T654-I670 HydrophobicContact CG2-CD1 4.49Å; T654-I670 WeakPolarHBondContact OG1-CD1 3.49Å; T654-D890 HydrophobicContact CG2-CB 3.89Å |
| 655 | M | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.9 | -48.1 | 173.9 | -173 | -173.9 | 72.5 | 0 | 0 | 111.3 | T651 V652 G653 C658 A659 M680 C733 | T651-M655 PolarHBondContact O-N 3.32Å; V652-M655 WeakPolarHBondContact O-CB 3.26Å; V652-M655 PolarHBondContact O-N 3.42Å; G653-M655 PolarHBondContact O-N 3.41Å; M655-C658 PolarHBondContact O-N 3.17Å; M655-A659 WeakPolarHBondContact O-CB 3.45Å; M655-A659 PolarHBondContact O-N 3.18Å; M655-M680 HydrophobicContact CE-CG 4.16Å; M655-M680 HydrophobicContact CE-SD 3.8Å; M655-M680 HydrophobicContact SD-CG 4.19Å; M655-C733 HydrophobicContact CE-CB 3.92Å; M655-C733 WeakPolarHBondContact CE-SG 3.42Å |
| 656 | M | 94.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.3 | -36.8 | -176.6 | -67.7 | -65.4 | -75.2 | 0 | 0 | 112.4 | V517 H519 T520 P521 V652 G653 T654 A659 Y660 I933 | V517-M656 HydrophobicContact CG1-CE 3.99Å; V517-M656 HydrophobicContact CG1-SD 4.02Å; H519-M656 WeakPolarHBondContact O-CE 3.44Å; T520-M656 HydrophobicContact CG2-SD 4.32Å; P521-M656 VanDerWaalsContact CD-CE 3.49Å; P521-M656 HydrophobicContact CG-CE 3.8Å; P521-M656 HydrophobicContact CG-SD 4.5Å; V652-M656 HydrophobicContact CG1-CG 4.43Å; V652-M656 WeakPolarHBondContact O-CB 3.35Å; V652-M656 WeakPolarHBondContact O-CG 3.44Å; V652-M656 PolarHBondContact O-N 3.47Å; G653-M656 PolarHBondContact O-N 3.11Å; T654-M656 VanDerWaalsContact C-N 3.34Å; T654-M656 PolarHBondContact O-N 3.46Å; M656-A659 PolarHBondContact O-N 3.45Å; M656-Y660 PolarHBondContact O-N 3.44Å; M656-I933 HydrophobicContact CB-CD1 4.36Å; M656-I933 HydrophobicContact CB-CG1 4.23Å; M656-I933 HydrophobicContact CE-CG1 3.86Å; M656-I933 HydrophobicContact CG-CD1 3.84Å; M656-I933 HydrophobicContact CG-CG1 3.74Å |
| 657 | S | 92.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.8 | -49.9 | 173 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | G653 T654 Y660 S922 K928 | G653-S657 WeakPolarHBondContact O-CB 3.31Å; G653-S657 PolarHBondContact O-N 3.15Å; T654-S657 PolarHBondContact O-N 2.71Å; S657-Y660 WeakPolarHBondContact O-CB 3.37Å; S657-Y660 PolarHBondContact O-N 3.17Å; S657-S922 PolarHBondContact OG-OG 2.88Å; S657-K928 WeakPolarHBondContact OG-CD 3.48Å |
| 658 | C | 94.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71.4 | -33.3 | 179.2 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | T654 M655 Y660 E661 D662 C665 G888 L920 | T654-C658 PolarHBondContact O-N 2.86Å; T654-C658 VanDerWaalsContact O-N 3.1Å; T654-C658 PolarHBondContact O-SG 2.89Å; M655-C658 PolarHBondContact O-N 3.17Å; C658-Y660 PolarHBondContact O-N 3.35Å; C658-E661 PolarHBondContact O-N 3.49Å; C658-D662 PolarHBondContact O-N 3.02Å; C658-C665 HydrophobicContact CB-CB 4.36Å; C658-C665 VanDerWaalsContact CB-SG 3.6Å; C658-G888 WeakPolarHBondContact SG-CA 3.44Å; C658-L920 HydrophobicContact CB-CD2 4.07Å |
| 659 | A | 93.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.7 | -23 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T520 M655 M656 E661 D662 C665 | T520-A659 HydrophobicContact CG2-CB 3.89Å; M655-A659 WeakPolarHBondContact O-CB 3.45Å; M655-A659 PolarHBondContact O-N 3.18Å; M656-A659 PolarHBondContact O-N 3.45Å; A659-E661 VanDerWaalsContact C-N 3.26Å; A659-D662 WeakPolarHBondContact CA-O 3.43Å; A659-D662 CarbonylContact O-C 3.6Å; A659-C665 HydrophobicContact CB-CB 3.98Å; A659-C665 WeakPolarHBondContact CB-O 3.2Å |
| 660 | Y | 89.9 | Confident | 94.6 | Very high | 104 Ų | 104 | 26.2 Ų | 26.2 | 41% | 0.408 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -27.9 | 170.7 | -172.3 | -102.8 | 0 | 0 | 0 | 112.8 | P521 M656 S657 C658 L932 | P521-Y660 HydrophobicContact CB-CD2 3.92Å; M656-Y660 PolarHBondContact O-N 3.44Å; S657-Y660 WeakPolarHBondContact O-CB 3.37Å; S657-Y660 PolarHBondContact O-N 3.17Å; C658-Y660 PolarHBondContact O-N 3.35Å; Y660-L932 HydrophobicContact CD2-CD1 4.18Å; Y660-L932 HydrophobicContact CD2-CD2 3.72Å; Y660-L932 HydrophobicContact CE2-CD2 4.03Å; Y660-L932 HydrophobicContact CG-CD1 3.99Å; Y660-L932 HydrophobicContact CG-CD2 4.29Å |
| 661 | E | 89.6 | Confident | 94.6 | Very high | 114 Ų | 114 | 25.3 Ų | 25.3 | 53% | 0.533 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -38.4 | -178.9 | -67.1 | 173.3 | -160.7 | 0 | 0 | 111.9 | C658 A659 L920 K928 | C658-E661 PolarHBondContact O-N 3.49Å; A659-E661 VanDerWaalsContact C-N 3.26Å; E661-L920 HydrophobicContact CB-CD2 4.41Å; E661-K928 IonicContact OE1-NZ 3.75Å; E661-K928 PolarHBondContact OE1-NZ 2.71Å |
| 662 | D | 93.3 | Very high | 94.4 | Very high | 40 Ų | 40 | 25.6 Ų | 25.6 | 21% | 0.214 | 13% | 0.129 | C | C | . | . | trans | -126 | 108 | 176 | -174.8 | -7.1 | 0 | 0 | 0 | 110.9 | C658 A659 K664 C665 T886 L920 | C658-D662 PolarHBondContact O-N 3.02Å; A659-D662 WeakPolarHBondContact CA-O 3.43Å; A659-D662 CarbonylContact O-C 3.6Å; D662-K664 PolarHBondContact O-N 3.1Å; D662-K664 WeakPolarHBondContact OD1-CB 3.46Å; D662-K664 PolarHBondContact OD1-N 2.91Å; D662-C665 VanDerWaalsContact O-CB 3.24Å; D662-C665 WeakPolarHBondContact O-CB 3.38Å; D662-C665 PolarHBondContact O-N 3.3Å; D662-T886 HydrophobicContact CB-CG2 4.31Å; D662-T886 VanDerWaalsContact OD2-CB 3.29Å; D662-T886 WeakPolarHBondContact OD2-CB 3.49Å; D662-T886 WeakPolarHBondContact OD2-CG2 3.35Å; D662-T886 PolarHBondContact OD2-OG1 3.37Å; D662-L920 HydrophobicContact CB-CD2 4.31Å | ||
| 663 | P | 91.6 | Very high | 94 | Very high | 110 Ų | 110 | 29.2 Ų | 29.2 | 71% | 0.714 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -15.3 | 178.2 | -25 | 34.4 | 0 | 0 | 0 | 115.1 | C665 | P663-C665 VanDerWaalsContact C-N 3.26Š|
| 664 | K | 95.4 | Very high | 93.8 | Very high | 109 Ų | 109 | 29.6 Ų | 29.6 | 47% | 0.474 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -5.6 | 174 | -62 | -177.9 | 176.8 | -176 | 0 | 113.2 | D662 E666 S884 T886 | D662-K664 PolarHBondContact O-N 3.1Å; D662-K664 WeakPolarHBondContact OD1-CB 3.46Å; D662-K664 PolarHBondContact OD1-N 2.91Å; K664-E666 PolarHBondContact O-N 3.38Å; K664-S884 PolarHBondContact NZ-OG 3.08Å; K664-S884 VanDerWaalsContact NZ-OG 3.07Å; K664-T886 PolarHBondContact O-N 3.27Å |
| 665 | C | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 106.9 | -178.6 | -175.9 | 0 | 0 | 0 | 0 | 111 | C658 A659 D662 P663 T886 G888 | C658-C665 HydrophobicContact CB-CB 4.36Å; C658-C665 VanDerWaalsContact CB-SG 3.6Å; A659-C665 HydrophobicContact CB-CB 3.98Å; A659-C665 WeakPolarHBondContact CB-O 3.2Å; D662-C665 VanDerWaalsContact O-CB 3.24Å; D662-C665 WeakPolarHBondContact O-CB 3.38Å; D662-C665 PolarHBondContact O-N 3.3Å; P663-C665 VanDerWaalsContact C-N 3.26Å; C665-T886 WeakPolarHBondContact CA-O 3.44Å; C665-T886 HydrophobicContact CB-CG2 4Å; C665-G888 PolarHBondContact SG-N 3.3Å; C665-G888 VanDerWaalsContact SG-N 3.44Å |
| 666 | E | 97.5 | Very high | 93.7 | Very high | 27 Ų | 27 | 30.2 Ų | 30.2 | 13% | 0.126 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 11.5 | 179.7 | -71.6 | -176.6 | 117.6 | 0 | 0 | 112.2 | K664 Y679 M680 K731 R878 I885 T886 | K664-E666 PolarHBondContact O-N 3.38Å; E666-Y679 CarbonylContact O-C 3.45Å; E666-Y679 WeakPolarHBondContact O-CA 3.04Å; E666-Y679 WeakPolarHBondContact O-CB 3.48Å; E666-M680 HydrophobicContact CB-CB 4.14Å; E666-M680 HydrophobicContact CB-CG 4.05Å; E666-M680 HydrophobicContact CG-CB 4.38Å; E666-M680 HydrophobicContact CG-CG 4.14Å; E666-M680 PolarHBondContact O-N 2.92Å; E666-K731 IonicContact OE1-NZ 3.65Å; E666-K731 PolarHBondContact OE1-NZ 3.4Å; E666-R878 IonicContact OE1-CZ 3.29Å; E666-R878 IonicContact OE1-NH1 2.64Å; E666-R878 IonicContact OE1-NH2 3.46Å; E666-R878 PolarHBondContact OE1-NH2 3.4Å; E666-R878 IonicContact OE2-CZ 3.46Å; E666-R878 IonicContact OE2-NH1 3.65Å; E666-R878 PolarHBondContact OE2-NH1 3.29Å; E666-R878 IonicContact OE2-NH2 3.89Å; E666-R878 PolarHBondContact OE2-NH2 3.48Å; E666-I885 HydrophobicContact CB-CD1 4.04Å; E666-I885 HydrophobicContact CB-CG1 4.39Å; E666-T886 PolarHBondContact N-O 3.12Å |
| 667 | V | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 136.2 | 176.6 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | L677 C678 M867 V870 I874 I885 V887 G888 | V667-L677 HydrophobicContact CG1-CD1 3.91Å; V667-L677 HydrophobicContact CG1-CD2 4.21Å; V667-L677 HydrophobicContact CG1-CG 4.02Å; V667-C678 WeakPolarHBondContact CA-O 3.46Å; V667-C678 WeakPolarHBondContact CG1-O 3.49Å; V667-M867 HydrophobicContact CG1-CE 4.02Å; V667-M867 HydrophobicContact CG1-SD 3.93Å; V667-V870 HydrophobicContact CG1-CG1 4.46Å; V667-V870 HydrophobicContact CG2-CG1 4.46Å; V667-I874 HydrophobicContact CG2-CD1 3.68Å; V667-I885 HydrophobicContact CG2-CD1 3.77Å; V667-I885 HydrophobicContact CG2-CG1 4.38Å; V667-V887 HydrophobicContact CB-CB 4.37Å; V667-V887 HydrophobicContact CB-CG1 4.24Å; V667-V887 HydrophobicContact CB-CG2 3.99Å; V667-V887 HydrophobicContact CG1-CG1 4.01Å; V667-V887 HydrophobicContact CG1-CG2 4.19Å; V667-V887 HydrophobicContact CG2-CG2 4.5Å; V667-V887 CarbonylContact O-C 3.07Å; V667-V887 WeakPolarHBondContact O-CA 3.47Å; V667-G888 PolarHBondContact O-N 3.32Å |
| 668 | G | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L677 C678 G888 | G668-L677 CarbonylContact O-C 3.58Å; G668-L677 VanDerWaalsContact O-CA 3.25Å; G668-L677 WeakPolarHBondContact O-CA 3.39Å; G668-C678 PolarHBondContact N-O 2.96Å; G668-C678 PolarHBondContact O-N 2.8Å; G668-G888 CarbonylContact C-O 3.58Å; G668-G888 WeakPolarHBondContact CA-O 3.49Å |
| 669 | M | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139 | -179.7 | 178.9 | 177.5 | 166.7 | 0 | 0 | 111.1 | A671 W738 C863 M867 V887 G888 V889 D890 L904 | M669-A671 HydrophobicContact CE-CB 3.79Å; M669-W738 HydrophobicContact CE-CH2 4.11Å; M669-W738 HydrophobicContact CE-CZ2 4.1Å; M669-W738 HydrophobicContact CG-CH2 4.46Å; M669-W738 HydrophobicContact CG-CZ2 4.49Å; M669-W738 HydrophobicContact SD-CH2 4.09Å; M669-W738 HydrophobicContact SD-CZ2 4.49Å; M669-C863 HydrophobicContact CE-CB 3.98Å; M669-M867 HydrophobicContact CB-CE 3.9Å; M669-M867 HydrophobicContact CG-CE 4.21Å; M669-M867 HydrophobicContact SD-CE 3.57Å; M669-M867 VanDerWaalsContact SD-CE 3.57Å; M669-V887 HydrophobicContact CB-CG1 4.01Å; M669-G888 PolarHBondContact N-O 3.38Å; M669-V889 HydrophobicContact CB-CG1 4.47Å; M669-V889 HydrophobicContact CB-CG2 4.44Å; M669-V889 VanDerWaalsContact O-CA 3.32Å; M669-V889 WeakPolarHBondContact O-CA 3.35Å; M669-D890 PolarHBondContact O-N 3.15Å; M669-L904 HydrophobicContact CE-CD1 3.61Å; M669-L904 HydrophobicContact SD-CD1 4.07Å |
| 670 | I | 94.9 | Very high | 94.4 | Very high | 18 Ų | 18 | 30.1 Ų | 30.1 | 9% | 0.092 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.1 | 169.4 | -60.7 | -62.4 | 0 | 0 | 0 | 108.6 | D650 T651 T654 S675 N676 D890 | D650-I670 HydrophobicContact CB-CD1 4.39Å; D650-I670 HydrophobicContact CB-CG1 4.38Å; T651-I670 HydrophobicContact CG2-CB 4.2Å; T651-I670 HydrophobicContact CG2-CG1 3.62Å; T654-I670 HydrophobicContact CG2-CD1 4.49Å; T654-I670 WeakPolarHBondContact OG1-CD1 3.49Å; I670-S675 VanDerWaalsContact O-CA 3.29Å; I670-S675 WeakPolarHBondContact O-CA 3.45Å; I670-N676 PolarHBondContact N-O 3.49Å; I670-N676 PolarHBondContact O-N 3.16Å; I670-N676 VanDerWaalsContact O-N 3.09Å; I670-D890 CarbonylContact C-O 3.56Å; I670-D890 WeakPolarHBondContact CA-O 3.31Å; I670-D890 HydrophobicContact CD1-CB 3.77Å |
| 671 | A | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 86 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | M669 D890 G891 L893 Y894 F900 | M669-A671 HydrophobicContact CE-CB 3.79Å; A671-D890 PolarHBondContact N-O 3.05Å; A671-G891 CarbonylContact O-C 3.58Å; A671-G891 VanDerWaalsContact O-CA 3.24Å; A671-G891 WeakPolarHBondContact O-CA 3.37Å; A671-L893 WeakPolarHBondContact O-CB 3.47Å; A671-L893 PolarHBondContact O-N 3.42Å; A671-Y894 PolarHBondContact O-N 2.84Å; A671-Y894 VanDerWaalsContact O-N 3.11Å; A671-F900 HydrophobicContact CB-CE1 4.1Å |
| 672 | G | 90.8 | Very high | 95 | Very high | 7 Ų | 7 | 21 Ų | 21 | 7% | 0.072 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -140.6 | -126.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G674 G776 | G672-G674 VanDerWaalsContact C-N 3.33Å; G672-G674 CarbonylContact C-O 3.52Å; G672-G674 PolarHBondContact N-O 3.21Å; G672-G776 WeakPolarHBondContact O-CA 3.4Å; G672-G776 PolarHBondContact O-N 3.38Å |
| 673 | T | 86.8 | Confident | 94.9 | Very high | 77 Ų | 77 | 19.3 Ų | 19.3 | 47% | 0.472 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -58.3 | -46.8 | 172.7 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | S775 M777 | T673-S775 WeakPolarHBondContact O-CB 3.31Å; T673-S775 PolarHBondContact O-OG 3.39Å; T673-M777 HydrophobicContact CG2-CB 4.02Å; T673-M777 HydrophobicContact CG2-SD 4.28Å; T673-M777 WeakPolarHBondContact O-CB 3.48Å; T673-M777 PolarHBondContact O-N 3.45Å |
| 674 | G | 89.8 | Confident | 94.8 | Very high | 8 Ų | 8 | 21 Ų | 21 | 8% | 0.082 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -107.6 | -179.1 | 168 | 0 | 0 | 0 | 0 | 0 | 112 | G672 E771 | G672-G674 VanDerWaalsContact C-N 3.33Å; G672-G674 CarbonylContact C-O 3.52Å; G672-G674 PolarHBondContact N-O 3.21Å; G674-E771 WeakPolarHBondContact CA-OE2 3.43Å |
| 675 | S | 93.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.007 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 117.8 | 176.4 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | I670 W738 E771 T774 | I670-S675 VanDerWaalsContact O-CA 3.29Å; I670-S675 WeakPolarHBondContact O-CA 3.45Å; S675-W738 VanDerWaalsContact O-CD1 3.26Å; S675-W738 PolarHBondContact O-NE1 2.96Å; S675-W738 PolarHBondContact OG-NE1 2.73Å; S675-E771 PolarHBondContact N-OE2 2.92Å; S675-T774 WeakPolarHBondContact CB-OG1 3.3Å; S675-T774 PolarHBondContact OG-OG1 2.9Å |
| 676 | N | 95.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 17.4 Ų | 17.4 | 6% | 0.059 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 166.5 | 179.2 | -163.9 | 21 | 0 | 0 | 0 | 112.3 | T651 I670 N735 T736 E737 W738 | T651-N676 VanDerWaalsContact CG2-C 3.47Å; T651-N676 HydrophobicContact CG2-CB 3.65Å; I670-N676 PolarHBondContact N-O 3.49Å; I670-N676 PolarHBondContact O-N 3.16Å; I670-N676 VanDerWaalsContact O-N 3.09Å; N676-N735 PolarHBondContact ND2-OD1 3.37Å; N676-T736 PolarHBondContact OD1-OG1 2.74Å; N676-E737 PolarHBondContact ND2-OE1 2.62Å; N676-E737 VanDerWaalsContact OD1-CA 3.24Å; N676-E737 WeakPolarHBondContact OD1-CA 3.48Å; N676-E737 PolarHBondContact OD1-N 3.47Å; N676-E737 VanDerWaalsContact OD1-N 3.14Å; N676-W738 VanDerWaalsContact CA-CD1 3.5Å; N676-W738 PolarHBondContact OD1-N 3.22Å |
| 677 | L | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 148.6 | 179.4 | -177.3 | 149 | 0 | 0 | 0 | 112.1 | V667 G668 Y679 T736 W738 M867 V870 | V667-L677 HydrophobicContact CG1-CD1 3.91Å; V667-L677 HydrophobicContact CG1-CD2 4.21Å; V667-L677 HydrophobicContact CG1-CG 4.02Å; G668-L677 CarbonylContact O-C 3.58Å; G668-L677 VanDerWaalsContact O-CA 3.25Å; G668-L677 WeakPolarHBondContact O-CA 3.39Å; L677-Y679 HydrophobicContact CD2-CD1 4Å; L677-T736 HydrophobicContact CD2-CG2 3.63Å; L677-T736 WeakPolarHBondContact O-CB 3.39Å; L677-T736 WeakPolarHBondContact O-CG2 3.45Å; L677-T736 PolarHBondContact O-N 3.48Å; L677-T736 PolarHBondContact O-OG1 2.91Å; L677-W738 HydrophobicContact CB-CD2 3.91Å; L677-W738 HydrophobicContact CB-CE3 3.82Å; L677-W738 HydrophobicContact CB-CH2 4.17Å; L677-W738 HydrophobicContact CB-CZ2 4.26Å; L677-W738 HydrophobicContact CB-CZ3 3.96Å; L677-W738 HydrophobicContact CD1-CE3 4.06Å; L677-W738 HydrophobicContact CD1-CH2 3.93Å; L677-W738 HydrophobicContact CD1-CZ3 3.52Å; L677-W738 HydrophobicContact CG-CE3 4.5Å; L677-W738 HydrophobicContact CG-CZ3 4.36Å; L677-M867 HydrophobicContact CD1-CE 3.27Å; L677-M867 HydrophobicContact CD1-SD 3.79Å; L677-M867 HydrophobicContact CG-CE 4.49Å; L677-V870 HydrophobicContact CD1-CG2 4.07Å; L677-V870 HydrophobicContact CD2-CB 4.43Å; L677-V870 HydrophobicContact CD2-CG1 3.95Å; L677-V870 HydrophobicContact CD2-CG2 3.78Å |
| 678 | C | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 161.8 | 163 | 73.6 | 0 | 0 | 0 | 0 | 111.3 | T651 V652 V667 G668 V734 | T651-C678 PolarHBondContact O-SG 3.19Å; T651-C678 WeakPolarHBondContact OG1-CB 3.45Å; V652-C678 VanDerWaalsContact CA-SG 3.53Å; V652-C678 HydrophobicContact CG2-CB 3.85Å; V652-C678 PolarHBondContact N-SG 2.87Å; V667-C678 WeakPolarHBondContact CA-O 3.46Å; V667-C678 WeakPolarHBondContact CG1-O 3.49Å; G668-C678 PolarHBondContact N-O 2.96Å; G668-C678 PolarHBondContact O-N 2.8Å; C678-V734 WeakPolarHBondContact CA-O 3.3Å; C678-V734 VanDerWaalsContact CB-O 3.23Å; C678-V734 WeakPolarHBondContact CB-O 3.3Å |
| 679 | Y | 98.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 163.6 | 170.2 | 69.5 | -80 | 0 | 0 | 0 | 112.7 | L499 M512 E666 L677 E681 C733 V734 T736 V870 K873 I874 | L499-Y679 HydrophobicContact CD2-CE1 4.5Å; M512-Y679 HydrophobicContact CE-CE1 3.69Å; M512-Y679 WeakPolarHBondContact CE-OH 3.16Å; E666-Y679 CarbonylContact O-C 3.45Å; E666-Y679 WeakPolarHBondContact O-CA 3.04Å; E666-Y679 WeakPolarHBondContact O-CB 3.48Å; L677-Y679 HydrophobicContact CD2-CD1 4Å; Y679-E681 HydrophobicContact CD2-CB 4.37Å; Y679-E681 HydrophobicContact CE2-CB 3.79Å; Y679-E681 HydrophobicContact CE2-CG 4.4Å; Y679-E681 PolarHBondContact O-N 3.45Å; Y679-E681 PolarHBondContact OH-OE2 3.22Å; Y679-C733 CarbonylContact O-C 3.57Å; Y679-C733 WeakPolarHBondContact O-CA 3.33Å; Y679-V734 PolarHBondContact N-O 3.04Å; Y679-V734 VanDerWaalsContact N-O 3.14Å; Y679-V734 PolarHBondContact O-N 2.8Å; Y679-T736 HydrophobicContact CD1-CG2 3.97Å; Y679-T736 HydrophobicContact CE1-CG2 3.91Å; Y679-V870 HydrophobicContact CD1-CG1 3.82Å; Y679-V870 HydrophobicContact CD2-CG1 4.49Å; Y679-V870 HydrophobicContact CE1-CG1 4.38Å; Y679-V870 HydrophobicContact CG-CG1 3.87Å; Y679-K873 WeakPolarHBondContact OH-CD 3.29Å; Y679-I874 HydrophobicContact CD2-CD1 3.8Å; Y679-I874 HydrophobicContact CD2-CG1 3.68Å; Y679-I874 HydrophobicContact CE2-CG1 4.15Å; Y679-I874 HydrophobicContact CG-CD1 4.15Å; Y679-I874 HydrophobicContact CG-CG1 4.47Å |
| 680 | M | 97.4 | Very high | 91.4 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 3% | 0.034 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 109.1 | 172.8 | -65.2 | -60.5 | -69.2 | 0 | 0 | 111.4 | Y518 T520 M655 E666 K731 C733 | Y518-M680 WeakPolarHBondContact O-CE 3.16Å; T520-M680 HydrophobicContact CG2-CG 4.48Å; M655-M680 HydrophobicContact CE-CG 4.16Å; M655-M680 HydrophobicContact CE-SD 3.8Å; M655-M680 HydrophobicContact SD-CG 4.19Å; E666-M680 HydrophobicContact CB-CB 4.14Å; E666-M680 HydrophobicContact CB-CG 4.05Å; E666-M680 HydrophobicContact CG-CB 4.38Å; E666-M680 HydrophobicContact CG-CG 4.14Å; E666-M680 PolarHBondContact O-N 2.92Å; M680-K731 HydrophobicContact CB-CD 4.32Å; M680-K731 HydrophobicContact CE-CB 3.75Å; M680-C733 HydrophobicContact SD-CB 3.61Å |
| 681 | E | 97.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 149.2 | 178.5 | 176.9 | 59.2 | -92.3 | 0 | 0 | 111.4 | L503 Y679 L683 N685 I686 K731 M732 V734 K873 | L503-E681 HydrophobicContact CD1-CG 4.44Å; L503-E681 WeakPolarHBondContact CD1-OE2 3.44Å; L503-E681 HydrophobicContact CD2-CG 4.05Å; Y679-E681 HydrophobicContact CD2-CB 4.37Å; Y679-E681 HydrophobicContact CE2-CB 3.79Å; Y679-E681 HydrophobicContact CE2-CG 4.4Å; Y679-E681 PolarHBondContact O-N 3.45Å; Y679-E681 PolarHBondContact OH-OE2 3.22Å; E681-L683 PolarHBondContact O-N 3.4Å; E681-N685 HydrophobicContact CG-CB 4.16Å; E681-N685 WeakPolarHBondContact OE1-CB 3.45Å; E681-N685 PolarHBondContact OE1-ND2 3.49Å; E681-I686 HydrophobicContact CB-CD1 4.49Å; E681-I686 HydrophobicContact CG-CD1 4.28Å; E681-I686 HydrophobicContact CG-CG1 3.93Å; E681-K731 CarbonylContact O-C 3.52Å; E681-K731 WeakPolarHBondContact O-CA 3.46Å; E681-K731 WeakPolarHBondContact O-CB 3.18Å; E681-M732 PolarHBondContact N-O 3.49Å; E681-M732 PolarHBondContact O-N 3Å; E681-V734 HydrophobicContact CB-CB 4.44Å; E681-V734 HydrophobicContact CB-CG2 3.74Å; E681-V734 HydrophobicContact CG-CG2 4.33Å; E681-K873 IonicContact OE1-NZ 2.96Å; E681-K873 IonicContact OE2-NZ 3.27Å; E681-K873 PolarHBondContact OE2-NZ 3.06Å |
| 682 | E | 94.3 | Very high | 87.1 | Confident | 23 Ų | 23 | 34.3 Ų | 34.3 | 11% | 0.107 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 125.7 | 171.9 | -60.7 | -61.9 | 149.6 | 0 | 0 | 110.1 | R684 N685 K731 D877 | E682-R684 HydrophobicContact CB-CG 3.99Å; E682-R684 PolarHBondContact O-N 3.33Å; E682-N685 WeakPolarHBondContact O-CB 3.45Å; E682-N685 PolarHBondContact O-N 3.36Å; E682-K731 WeakPolarHBondContact OE1-CE 3.25Å; E682-D877 HydrophobicContact CG-CB 4.45Å |
| 683 | L | 91.1 | Very high | 84.5 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -57.1 | -31 | -173.8 | -169.4 | 71.1 | 0 | 0 | 0 | 112.7 | E681 N685 I686 L689 A725 L730 M732 | E681-L683 PolarHBondContact O-N 3.4Å; L683-N685 PolarHBondContact O-N 2.84Å; L683-N685 VanDerWaalsContact O-N 3.16Å; L683-I686 HydrophobicContact CD1-CD1 4.28Å; L683-I686 PolarHBondContact O-N 3.41Å; L683-I686 VanDerWaalsContact O-N 3.11Å; L683-L689 HydrophobicContact CD1-CD1 4.43Å; L683-A725 HydrophobicContact CD2-CB 3.71Å; L683-L730 WeakPolarHBondContact CB-O 3.43Å; L683-L730 HydrophobicContact CD2-CB 4.46Å; L683-L730 HydrophobicContact CD2-CD2 4.3Å; L683-L730 PolarHBondContact N-O 2.76Å; L683-M732 HydrophobicContact CD1-CB 4.23Å; L683-M732 HydrophobicContact CD1-CE 3.88Å |
| 684 | R | 90.5 | Very high | 81.8 | Confident | 146 Ų | 146 | 38 Ų | 38 | 55% | 0.551 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -59 | -23 | 175.5 | 70.2 | -174.6 | 177.3 | -170.2 | -1.6 | 114.2 | E682 V726 D877 | E682-R684 HydrophobicContact CB-CG 3.99Å; E682-R684 PolarHBondContact O-N 3.33Å; R684-V726 HydrophobicContact CB-CG1 4.32Å; R684-D877 PolarHBondContact NH2-O 2.96Å |
| 685 | N | 94.1 | Very high | 79.2 | Confident | 33 Ų | 33 | 43.5 Ų | 43.5 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -86.4 | -19.2 | -179.4 | -70 | -17.6 | 0 | 0 | 0 | 112 | L503 E681 E682 L683 K687 D877 | L503-N685 HydrophobicContact CD1-CB 4.43Å; E681-N685 HydrophobicContact CG-CB 4.16Å; E681-N685 WeakPolarHBondContact OE1-CB 3.45Å; E681-N685 PolarHBondContact OE1-ND2 3.49Å; E682-N685 WeakPolarHBondContact O-CB 3.45Å; E682-N685 PolarHBondContact O-N 3.36Å; L683-N685 PolarHBondContact O-N 2.84Å; L683-N685 VanDerWaalsContact O-N 3.16Å; N685-K687 VanDerWaalsContact C-N 3.28Å; N685-K687 PolarHBondContact O-N 2.88Å; N685-D877 VanDerWaalsContact ND2-CG 3.27Å; N685-D877 PolarHBondContact ND2-OD1 2.88Å; N685-D877 PolarHBondContact ND2-OD2 2.85Å |
| 686 | I | 93.3 | Very high | 76.4 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | trans | -84.4 | 63 | -175.7 | -43.8 | -176.7 | 0 | 0 | 0 | 111.6 | L503 P514 E681 L683 K688 L689 M732 V734 | L503-I686 HydrophobicContact CD2-CG1 4.06Å; P514-I686 HydrophobicContact CG-CG2 4.2Å; E681-I686 HydrophobicContact CB-CD1 4.49Å; E681-I686 HydrophobicContact CG-CD1 4.28Å; E681-I686 HydrophobicContact CG-CG1 3.93Å; L683-I686 HydrophobicContact CD1-CD1 4.28Å; L683-I686 PolarHBondContact O-N 3.41Å; L683-I686 VanDerWaalsContact O-N 3.11Å; I686-K688 HydrophobicContact CG2-CG 4.12Å; I686-K688 PolarHBondContact O-N 3.3Å; I686-K688 VanDerWaalsContact O-N 3.13Å; I686-L689 HydrophobicContact CB-CD1 4.27Å; I686-L689 HydrophobicContact CG2-CD1 3.77Å; I686-L689 HydrophobicContact CG2-CG 3.89Å; I686-L689 PolarHBondContact O-N 2.91Å; I686-M732 HydrophobicContact CD1-CB 3.97Å; I686-M732 HydrophobicContact CD1-CG 4.49Å; I686-M732 HydrophobicContact CD1-SD 4.08Å; I686-V734 HydrophobicContact CD1-CG2 3.69Å; I686-V734 HydrophobicContact CG1-CG2 4.44Å | ||
| 687 | K | 89.6 | Confident | 73.5 | Confident | 108 Ų | 108 | 57.9 Ų | 57.9 | 47% | 0.47 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -22.1 | -173.3 | -60.5 | -176.8 | -176.1 | -178.9 | 0 | 114.4 | L503 K504 N685 L689 D690 | L503-K687 PolarHBondContact O-N 2.9Å; K504-K687 HydrophobicContact CG-CD 4.4Å; N685-K687 VanDerWaalsContact C-N 3.28Å; N685-K687 PolarHBondContact O-N 2.88Å; K687-L689 PolarHBondContact O-N 2.87Å; K687-D690 PolarHBondContact O-N 3.46Å |
| 688 | K | 85.6 | Confident | 70.4 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.2 | -21 | 178.8 | 76.8 | 178.5 | 99.4 | -168.2 | 0 | 113.9 | G502 L503 K511 M512 P514 I686 | G502-K688 WeakPolarHBondContact O-CE 3.21Å; G502-K688 PolarHBondContact O-NZ 3.45Å; L503-K688 PolarHBondContact O-N 3.47Å; L503-K688 VanDerWaalsContact O-N 3.13Å; K511-K688 PolarHBondContact O-NZ 3.47Å; M512-K688 VanDerWaalsContact O-CE 3.25Å; M512-K688 WeakPolarHBondContact O-CE 3.42Å; M512-K688 PolarHBondContact O-NZ 3.48Å; P514-K688 HydrophobicContact CG-CD 4.45Å; I686-K688 HydrophobicContact CG2-CG 4.12Å; I686-K688 PolarHBondContact O-N 3.3Å; I686-K688 VanDerWaalsContact O-N 3.13Å |
| 689 | L | 80.6 | Confident | 67.2 | Low | 33 Ų | 33 | 70.5 Ų | 70.5 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -72.3 | -34.8 | 177 | -70.5 | 173.9 | 0 | 0 | 0 | 111.3 | P514 L683 I686 K687 Q691 S692 M732 | P514-L689 HydrophobicContact CG-CD2 4.1Å; P514-L689 HydrophobicContact CG-CG 4.39Å; L683-L689 HydrophobicContact CD1-CD1 4.43Å; I686-L689 HydrophobicContact CB-CD1 4.27Å; I686-L689 HydrophobicContact CG2-CD1 3.77Å; I686-L689 HydrophobicContact CG2-CG 3.89Å; I686-L689 PolarHBondContact O-N 2.91Å; K687-L689 PolarHBondContact O-N 2.87Å; L689-Q691 VanDerWaalsContact C-N 3.34Å; L689-Q691 PolarHBondContact O-N 3.46Å; L689-S692 PolarHBondContact O-N 2.9Å; L689-S692 PolarHBondContact O-OG 3.46Å; L689-M732 HydrophobicContact CD1-CE 4.28Å |
| 690 | D | 67.1 | Low | 64.2 | Low | 92 Ų | 92 | 79.8 Ų | 79.8 | 49% | 0.492 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66 | -33.1 | 179.2 | -73.5 | -39.1 | 0 | 0 | 0 | 113.3 | K687 S692 N693 H722 | K687-D690 PolarHBondContact O-N 3.46Å; D690-S692 VanDerWaalsContact C-N 3.34Å; D690-S692 PolarHBondContact O-N 2.92Å; D690-N693 PolarHBondContact O-N 3.16Å; D690-H722 IonicContact OD1-CD2 3.65Å; D690-H722 PolarHBondContact OD1-CD2 3.18Å; D690-H722 IonicContact OD1-NE2 3.56Å; D690-H722 PolarHBondContact OD1-NE2 3.28Å |
| 691 | Q | 52.2 | Low | 61.1 | Low | 107 Ų | 107 | 88 Ų | 88 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.3 | -25.1 | -176.5 | -66.4 | 175.2 | 6.4 | 0 | 0 | 113.4 | K504 L689 N693 | K504-Q691 PolarHBondContact O-NE2 2.94Å; L689-Q691 VanDerWaalsContact C-N 3.34Å; L689-Q691 PolarHBondContact O-N 3.46Å; Q691-N693 PolarHBondContact O-N 2.71Å |
| 692 | S | 47.7 | Very low | 57.9 | Low | 52 Ų | 52 | 94.5 Ų | 94.5 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -21.8 | 179 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | L689 D690 | L689-S692 PolarHBondContact O-N 2.9Å; L689-S692 PolarHBondContact O-OG 3.46Å; D690-S692 VanDerWaalsContact C-N 3.34Å; D690-S692 PolarHBondContact O-N 2.92Å |
| 693 | N | 36.8 | Very low | 54.8 | Low | 84 Ų | 84 | 99.1 Ų | 99.1 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -12.1 | -177.6 | -79.4 | -40.2 | 0 | 0 | 0 | 114.8 | D690 Q691 | D690-N693 PolarHBondContact O-N 3.16Å; Q691-N693 PolarHBondContact O-N 2.71Å |
| 694 | S | 29.9 | Very low | 51.9 | Low | 77 Ų | 77 | 108 Ų | 108 | 54% | 0.538 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.3 | -26.9 | -180 | 83.3 | 0 | 0 | 0 | 0 | 113.3 | L696 K697 | S694-L696 VanDerWaalsContact C-N 3.31Å; S694-L696 PolarHBondContact O-N 3.1Å; S694-K697 PolarHBondContact O-N 3.41Å |
| 695 | I | 34.9 | Very low | 49 | Very low | 124 Ų | 124 | 107 Ų | 107 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -72.6 | -25 | -176 | -58.2 | 174.8 | 0 | 0 | 0 | 111.8 | K697 T698 | I695-K697 VanDerWaalsContact C-N 3.29Å; I695-K697 PolarHBondContact O-N 3.27Å; I695-T698 PolarHBondContact O-OG1 3.45Å |
| 696 | L | 34.3 | Very low | 45.8 | Very low | 139 Ų | 139 | 112.7 Ų | 112.7 | 73% | 0.728 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -74.6 | -11.7 | 176.1 | -81 | 157.5 | 0 | 0 | 0 | 114.3 | S694 | S694-L696 VanDerWaalsContact C-N 3.31Å; S694-L696 PolarHBondContact O-N 3.1Å |
| 697 | K | 33.5 | Very low | 42.7 | Very low | 175 Ų | 175 | 120.6 Ų | 120.6 | 76% | 0.761 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -90.1 | -16.7 | -179.2 | -77.1 | -173.1 | 175.7 | -178.4 | 0 | 114.6 | S694 I695 | S694-K697 PolarHBondContact O-N 3.41Å; I695-K697 VanDerWaalsContact C-N 3.29Å; I695-K697 PolarHBondContact O-N 3.27Å |
| 698 | T | 31 | Very low | 39.7 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 69% | 0.687 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -8.4 | -174.8 | 30.5 | 0 | 0 | 0 | 0 | 115.1 | I695 | I695-T698 PolarHBondContact O-OG1 3.45Š|
| 699 | N | 31.7 | Very low | 37.1 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 82% | 0.824 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 15.3 | -178.9 | -89.5 | 3.2 | 0 | 0 | 0 | 115.6 | ||
| 700 | K | 35.2 | Very low | 34.5 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | trans | -106.5 | 61.5 | 171.9 | -87.5 | -172.7 | 175.3 | -179.6 | 0 | 111.7 | ||||
| 701 | Q | 32.8 | Very low | 32.8 | Very low | 179 Ų | 179 | 140 Ų | 140 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | trans | -156.4 | 76.5 | 163.5 | -120.3 | 177.2 | 6.8 | 0 | 0 | 109.8 | ||||
| 702 | T | 29.4 | Very low | 31.6 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -178 | 136.8 | 146.1 | 20.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 703 | S | 29.5 | Very low | 30.7 | Very low | 120 Ų | 120 | 148 Ų | 148 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 91.3 | 100.6 | 160.4 | -44.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 704 | E | 30.7 | Very low | 30.4 | Very low | 191 Ų | 191 | 149 Ų | 149 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -70.6 | 145.8 | 158.3 | -69.5 | 174.5 | 141.8 | 0 | 0 | 111.4 | ||||
| 705 | V | 28.9 | Very low | 30.4 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | 161.8 | 117.3 | 125.9 | 164.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 706 | L | 27.8 | Very low | 30.2 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | 41.1 | 113.4 | 151.4 | -62.6 | 164 | 0 | 0 | 0 | 121 | ||||
| 707 | I | 28.2 | Very low | 30.1 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | -176.3 | 147.8 | 106.5 | -84.8 | 156.9 | 0 | 0 | 0 | 110.1 | |||||
| 708 | S | 26.3 | Very low | 30.3 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | -44.7 | 145.5 | -168.2 | 54.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 709 | D | 29.9 | Very low | 30.6 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | 48.5 | 101 | 138.1 | -65.8 | -30.4 | 0 | 0 | 0 | 121 | ||||
| 710 | K | 27.2 | Very low | 30.8 | Very low | 208 Ų | 208 | 134.1 Ų | 134.1 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | -172 | 135.5 | 112.8 | -100.7 | 174.2 | -175.5 | 179.2 | 0 | 110.5 | D712 | K710-D712 PolarHBondContact O-N 3.33Š| |||
| 711 | K | 31.4 | Very low | 31.2 | Very low | 193 Ų | 193 | 134.1 Ų | 134.1 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -66.3 | 122.2 | 174.4 | -82.1 | 172.1 | 170.9 | 172.7 | 0 | 110.4 | ||||
| 712 | D | 25.7 | Very low | 31.7 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | -117.9 | 112.9 | 153.6 | -90.7 | -30.4 | 0 | 0 | 0 | 109.7 | K710 | K710-D712 PolarHBondContact O-N 3.33Š| ||
| 713 | L | 30 | Very low | 32.2 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 88% | 0.88 | 72% | 0.72 | S | S | * | * | trans | -89.7 | 88.9 | 172 | -83 | 133.5 | 0 | 0 | 0 | 108.4 | ||||
| 714 | S | 31 | Very low | 32.7 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | trans | -142.6 | -2.2 | 171.7 | 62.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 715 | G | 29.4 | Very low | 33.6 | Very low | 84 Ų | 84 | 117 Ų | 117 | 87% | 0.866 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -89.3 | 3.7 | -169 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 716 | S | 30 | Very low | 34.6 | Very low | 101 Ų | 101 | 114.3 Ų | 114.3 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -125 | 1.6 | -171.1 | 77 | 0 | 0 | 0 | 0 | 116.8 | ||
| 717 | A | 32.9 | Very low | 35.4 | Very low | 57 Ų | 57 | 116.3 Ų | 116.3 | 47% | 0.471 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -77.5 | -42 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C719 V720 W721 | A717-C719 VanDerWaalsContact C-N 3.3Å; A717-C719 PolarHBondContact O-N 3.35Å; A717-C719 VanDerWaalsContact O-N 3.12Å; A717-V720 PolarHBondContact O-N 3.11Å; A717-W721 VanDerWaalsContact O-CD1 3.3Å; A717-W721 PolarHBondContact O-N 2.82Å |
| 718 | G | 38.1 | Very low | 36.6 | Very low | 54 Ų | 54 | 112.2 Ų | 112.2 | 56% | 0.557 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -59.1 | -31.3 | -171 | 0 | 0 | 0 | 0 | 0 | 116 | H722 | G718-H722 PolarHBondContact O-N 3.09Å |
| 719 | C | 36.7 | Very low | 38.4 | Very low | 69 Ų | 69 | 110.4 Ų | 110.4 | 47% | 0.466 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -74.7 | -26.4 | -177.3 | -172.5 | 0 | 0 | 0 | 0 | 113.7 | A717 | A717-C719 VanDerWaalsContact C-N 3.3Å; A717-C719 PolarHBondContact O-N 3.35Å; A717-C719 VanDerWaalsContact O-N 3.12Å |
| 720 | V | 35.3 | Very low | 41 | Very low | 103 Ų | 103 | 105 Ų | 105 | 62% | 0.624 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -84.8 | -38 | -179.1 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | A717 A724 | A717-V720 PolarHBondContact O-N 3.11Å; V720-A724 WeakPolarHBondContact O-CB 3.47Å; V720-A724 PolarHBondContact O-N 3.46Å; V720-A724 VanDerWaalsContact O-N 3.15Å |
| 721 | W | 43.2 | Very low | 44.1 | Very low | 195 Ų | 195 | 97.5 Ų | 97.5 | 74% | 0.739 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66 | -40.5 | 178.3 | -77.8 | 88.1 | 0 | 0 | 0 | 113 | A717 A724 A725 | A717-W721 VanDerWaalsContact O-CD1 3.3Å; A717-W721 PolarHBondContact O-N 2.82Å; W721-A724 PolarHBondContact O-N 2.79Å; W721-A725 VanDerWaalsContact O-CB 3.25Å; W721-A725 WeakPolarHBondContact O-CB 3.35Å; W721-A725 PolarHBondContact O-N 3.05Å |
| 722 | H | 44.1 | Very low | 47.1 | Very low | 39 Ų | 39 | 88.3 Ų | 88.3 | 18% | 0.181 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 179.9 | -153.6 | 74.9 | 0 | 0 | 0 | 112.2 | D690 G718 A724 A725 V726 | D690-H722 IonicContact OD1-CD2 3.65Å; D690-H722 PolarHBondContact OD1-CD2 3.18Å; D690-H722 IonicContact OD1-NE2 3.56Å; D690-H722 PolarHBondContact OD1-NE2 3.28Å; G718-H722 PolarHBondContact O-N 3.09Å; H722-A724 VanDerWaalsContact C-N 3.34Å; H722-A724 PolarHBondContact O-N 3.34Å; H722-A725 PolarHBondContact O-N 3.24Å; H722-V726 VanDerWaalsContact O-CG2 3.28Å; H722-V726 WeakPolarHBondContact O-CG2 3.23Å; H722-V726 PolarHBondContact O-N 3.2Å; H722-V726 VanDerWaalsContact O-N 3.12Å |
| 723 | K | 40.1 | Very low | 50.5 | Low | 157 Ų | 157 | 80.9 Ų | 80.9 | 68% | 0.683 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.1 | -29.2 | 177.3 | -72.7 | -176.8 | 177.4 | -179.3 | 0 | 113.5 | ||
| 724 | A | 39.9 | Very low | 53.7 | Low | 57 Ų | 57 | 72.9 Ų | 72.9 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -76.5 | -40.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V720 W721 H722 V726 K727 | V720-A724 WeakPolarHBondContact O-CB 3.47Å; V720-A724 PolarHBondContact O-N 3.46Å; V720-A724 VanDerWaalsContact O-N 3.15Å; W721-A724 PolarHBondContact O-N 2.79Å; H722-A724 VanDerWaalsContact C-N 3.34Å; H722-A724 PolarHBondContact O-N 3.34Å; A724-V726 PolarHBondContact O-N 3.31Å; A724-K727 PolarHBondContact O-N 3.46Å |
| 725 | A | 48.8 | Very low | 56.8 | Low | 16 Ų | 16 | 68.1 Ų | 68.1 | 13% | 0.132 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L683 W721 H722 K727 S728 L730 | L683-A725 HydrophobicContact CD2-CB 3.71Å; W721-A725 VanDerWaalsContact O-CB 3.25Å; W721-A725 WeakPolarHBondContact O-CB 3.35Å; W721-A725 PolarHBondContact O-N 3.05Å; H722-A725 PolarHBondContact O-N 3.24Å; A725-K727 PolarHBondContact O-N 3.35Å; A725-S728 PolarHBondContact O-N 2.69Å; A725-S728 PolarHBondContact O-OG 3.02Å; A725-L730 HydrophobicContact CB-CB 4.39Å; A725-L730 HydrophobicContact CB-CD2 3.79Å |
| 726 | V | 50.5 | Low | 60 | Low | 69 Ų | 69 | 64.1 Ų | 64.1 | 42% | 0.418 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.9 | -29.5 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 112.5 | R684 H722 A724 S728 | R684-V726 HydrophobicContact CB-CG1 4.32Å; H722-V726 VanDerWaalsContact O-CG2 3.28Å; H722-V726 WeakPolarHBondContact O-CG2 3.23Å; H722-V726 PolarHBondContact O-N 3.2Å; H722-V726 VanDerWaalsContact O-N 3.12Å; A724-V726 PolarHBondContact O-N 3.31Å; V726-S728 VanDerWaalsContact C-N 3.3Å; V726-S728 PolarHBondContact O-N 3.37Å |
| 727 | K | 45.7 | Very low | 63.1 | Low | 195 Ų | 195 | 60 Ų | 60 | 85% | 0.848 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -12.2 | 174.9 | -77.4 | -175.6 | 174.9 | -176.1 | 0 | 114 | A724 A725 | A724-K727 PolarHBondContact O-N 3.46Å; A725-K727 PolarHBondContact O-N 3.35Å |
| 728 | S | 51.5 | Low | 66.1 | Low | 81 Ų | 81 | 57.3 Ų | 57.3 | 57% | 0.566 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 1 | -172 | 66.9 | 0 | 0 | 0 | 0 | 115.5 | A725 V726 L730 | A725-S728 PolarHBondContact O-N 2.69Å; A725-S728 PolarHBondContact O-OG 3.02Å; V726-S728 VanDerWaalsContact C-N 3.3Å; V726-S728 PolarHBondContact O-N 3.37Å; S728-L730 VanDerWaalsContact C-N 3.31Å |
| 729 | G | 65.8 | Low | 68.8 | Low | 55 Ų | 55 | 54.8 Ų | 54.8 | 57% | 0.567 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 28.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 730 | L | 84.3 | Confident | 71.5 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | trans | -69.8 | 138.6 | -179.6 | -157.5 | 73.7 | 0 | 0 | 0 | 110.6 | Y518 L683 A725 S728 | Y518-L730 HydrophobicContact CD1-CD2 3.73Å; Y518-L730 HydrophobicContact CD1-CG 4.24Å; Y518-L730 HydrophobicContact CE1-CD2 4.15Å; L683-L730 WeakPolarHBondContact CB-O 3.43Å; L683-L730 HydrophobicContact CD2-CB 4.46Å; L683-L730 HydrophobicContact CD2-CD2 4.3Å; L683-L730 PolarHBondContact N-O 2.76Å; A725-L730 HydrophobicContact CB-CB 4.39Å; A725-L730 HydrophobicContact CB-CD2 3.79Å; S728-L730 VanDerWaalsContact C-N 3.31Å | ||
| 731 | K | 91.8 | Very high | 74.4 | Confident | 51 Ų | 51 | 46.7 Ų | 46.7 | 22% | 0.222 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 165.2 | 175.9 | -64.1 | 176.4 | 179.6 | 171.1 | 0 | 111.1 | Y518 E666 M680 E681 E682 R878 | Y518-K731 WeakPolarHBondContact CA-O 3.41Å; Y518-K731 WeakPolarHBondContact CD1-O 3.48Å; E666-K731 IonicContact OE1-NZ 3.65Å; E666-K731 PolarHBondContact OE1-NZ 3.4Å; M680-K731 HydrophobicContact CB-CD 4.32Å; M680-K731 HydrophobicContact CE-CB 3.75Å; E681-K731 CarbonylContact O-C 3.52Å; E681-K731 WeakPolarHBondContact O-CA 3.46Å; E681-K731 WeakPolarHBondContact O-CB 3.18Å; E682-K731 WeakPolarHBondContact OE1-CE 3.25Å; K731-R878 VanDerWaalsContact NZ-NH2 3.19Å |
| 732 | M | 94.6 | Very high | 76.9 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 137.4 | 169.2 | -176.8 | -171.2 | -74.3 | 0 | 0 | 109.5 | P514 F516 V517 Y518 E681 L683 I686 L689 V734 | P514-M732 HydrophobicContact CB-SD 3.58Å; P514-M732 VanDerWaalsContact CB-SD 3.58Å; F516-M732 HydrophobicContact CD1-CE 4.48Å; V517-M732 CarbonylContact O-C 3.56Å; V517-M732 WeakPolarHBondContact O-CA 3.28Å; Y518-M732 HydrophobicContact CD1-CB 4.33Å; Y518-M732 HydrophobicContact CD1-CE 4.17Å; Y518-M732 HydrophobicContact CE1-CB 4.5Å; Y518-M732 HydrophobicContact CE1-CE 3.27Å; Y518-M732 HydrophobicContact CE2-CE 4.46Å; Y518-M732 VanDerWaalsContact CZ-CE 3.46Å; Y518-M732 WeakPolarHBondContact OH-CE 3.09Å; E681-M732 PolarHBondContact N-O 3.49Å; E681-M732 PolarHBondContact O-N 3Å; L683-M732 HydrophobicContact CD1-CB 4.23Å; L683-M732 HydrophobicContact CD1-CE 3.88Å; I686-M732 HydrophobicContact CD1-CB 3.97Å; I686-M732 HydrophobicContact CD1-CG 4.49Å; I686-M732 HydrophobicContact CD1-SD 4.08Å; L689-M732 HydrophobicContact CD1-CE 4.28Å; M732-V734 PolarHBondContact O-N 3.44Å |
| 733 | C | 96.6 | Very high | 79.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 131.1 | 170.8 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | S515 V517 V652 M655 Y679 M680 | S515-C733 WeakPolarHBondContact CB-O 3.34Å; S515-C733 PolarHBondContact N-O 3.37Å; S515-C733 VanDerWaalsContact N-O 3.11Å; S515-C733 WeakPolarHBondContact OG-CB 3.38Å; S515-C733 PolarHBondContact OG-O 3.04Å; V517-C733 HydrophobicContact CB-CB 4.15Å; V517-C733 PolarHBondContact O-N 3.03Å; V652-C733 HydrophobicContact CG1-CB 4.42Å; M655-C733 HydrophobicContact CE-CB 3.92Å; M655-C733 WeakPolarHBondContact CE-SG 3.42Å; Y679-C733 CarbonylContact O-C 3.57Å; Y679-C733 WeakPolarHBondContact O-CA 3.33Å; M680-C733 HydrophobicContact SD-CB 3.61Å |
| 734 | V | 97 | Very high | 81.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.4 | 178.5 | 175.2 | 0 | 0 | 0 | 0 | 108.9 | M512 C678 Y679 E681 I686 M732 | M512-V734 HydrophobicContact CB-CG1 3.86Å; M512-V734 HydrophobicContact CE-CG1 3.72Å; M512-V734 WeakPolarHBondContact O-CG1 3.49Å; M512-V734 HydrophobicContact SD-CG1 4.14Å; C678-V734 WeakPolarHBondContact CA-O 3.3Å; C678-V734 VanDerWaalsContact CB-O 3.23Å; C678-V734 WeakPolarHBondContact CB-O 3.3Å; Y679-V734 PolarHBondContact N-O 3.04Å; Y679-V734 VanDerWaalsContact N-O 3.14Å; Y679-V734 PolarHBondContact O-N 2.8Å; E681-V734 HydrophobicContact CB-CB 4.44Å; E681-V734 HydrophobicContact CB-CG2 3.74Å; E681-V734 HydrophobicContact CG-CG2 4.33Å; I686-V734 HydrophobicContact CD1-CG2 3.69Å; I686-V734 HydrophobicContact CG1-CG2 4.44Å; M732-V734 PolarHBondContact O-N 3.44Å |
| 735 | N | 96.8 | Very high | 84.3 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 117 | 167.6 | 171.5 | 12.4 | 0 | 0 | 0 | 108.7 | M512 L513 N649 N676 E737 | M512-N735 CarbonylContact C-O 3.57Å; M512-N735 VanDerWaalsContact C-O 3.3Å; M512-N735 WeakPolarHBondContact CA-O 3.4Å; L513-N735 HydrophobicContact CB-CB 4.36Å; L513-N735 PolarHBondContact N-O 2.89Å; L513-N735 PolarHBondContact O-N 2.93Å; N649-N735 PolarHBondContact ND2-ND2 3.05Å; N676-N735 PolarHBondContact ND2-OD1 3.37Å; N735-E737 PolarHBondContact ND2-OE1 3.36Å; N735-E737 PolarHBondContact OD1-N 2.88Å; N735-E737 PolarHBondContact OD1-OE1 2.62Å |
| 736 | T | 96.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -72.1 | -35.3 | -172.2 | 63.4 | 0 | 0 | 0 | 0 | 112.9 | L499 I510 K511 M512 N676 L677 Y679 W738 | L499-T736 HydrophobicContact CD2-CG2 3.84Å; I510-T736 WeakPolarHBondContact CG2-O 3.35Å; K511-T736 PolarHBondContact N-O 2.97Å; K511-T736 VanDerWaalsContact N-O 3.15Å; M512-T736 PolarHBondContact N-O 2.71Å; M512-T736 HydrophobicContact SD-CG2 3.79Å; N676-T736 PolarHBondContact OD1-OG1 2.74Å; L677-T736 HydrophobicContact CD2-CG2 3.63Å; L677-T736 WeakPolarHBondContact O-CB 3.39Å; L677-T736 WeakPolarHBondContact O-CG2 3.45Å; L677-T736 PolarHBondContact O-N 3.48Å; L677-T736 PolarHBondContact O-OG1 2.91Å; Y679-T736 HydrophobicContact CD1-CG2 3.97Å; Y679-T736 HydrophobicContact CE1-CG2 3.91Å; T736-W738 PolarHBondContact O-N 2.91Å; T736-W738 WeakPolarHBondContact OG1-CB 3.44Å; T736-W738 PolarHBondContact OG1-N 3.16Å | ||
| 737 | E | 95.2 | Very high | 88.6 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | trans | 48.9 | 45.6 | -162.5 | -63.8 | -61.7 | 155.8 | 0 | 0 | 111.3 | K511 L513 P598 N676 N735 G739 G740 | K511-E737 HydrophobicContact CB-CB 4.06Å; K511-E737 HydrophobicContact CB-CG 4.42Å; K511-E737 HydrophobicContact CG-CB 4.25Å; L513-E737 HydrophobicContact CD1-CG 3.68Å; L513-E737 HydrophobicContact CG-CG 4.36Å; P598-E737 HydrophobicContact CB-CG 4.16Å; P598-E737 HydrophobicContact CG-CG 4.4Å; N676-E737 PolarHBondContact ND2-OE1 2.62Å; N676-E737 VanDerWaalsContact OD1-CA 3.24Å; N676-E737 WeakPolarHBondContact OD1-CA 3.48Å; N676-E737 PolarHBondContact OD1-N 3.47Å; N676-E737 VanDerWaalsContact OD1-N 3.14Å; N735-E737 PolarHBondContact ND2-OE1 3.36Å; N735-E737 PolarHBondContact OD1-N 2.88Å; N735-E737 PolarHBondContact OD1-OE1 2.62Å; E737-G739 PolarHBondContact O-N 2.86Å; E737-G740 PolarHBondContact O-N 3.36Å | ||
| 738 | W | 96.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -62.1 | -14 | -174.1 | 75.2 | -8.5 | 0 | 0 | 0 | 114 | M495 M669 S675 N676 L677 T736 G740 L741 F770 | M495-W738 HydrophobicContact CE-CB 4.01Å; M495-W738 HydrophobicContact CE-CD2 4.15Å; M495-W738 HydrophobicContact CE-CE3 3.79Å; M495-W738 HydrophobicContact CE-CG 4.3Å; M495-W738 HydrophobicContact SD-CB 4.06Å; M495-W738 HydrophobicContact SD-CE3 4.37Å; M669-W738 HydrophobicContact CE-CH2 4.11Å; M669-W738 HydrophobicContact CE-CZ2 4.1Å; M669-W738 HydrophobicContact CG-CH2 4.46Å; M669-W738 HydrophobicContact CG-CZ2 4.49Å; M669-W738 HydrophobicContact SD-CH2 4.09Å; M669-W738 HydrophobicContact SD-CZ2 4.49Å; S675-W738 VanDerWaalsContact O-CD1 3.26Å; S675-W738 PolarHBondContact O-NE1 2.96Å; S675-W738 PolarHBondContact OG-NE1 2.73Å; N676-W738 VanDerWaalsContact CA-CD1 3.5Å; N676-W738 PolarHBondContact OD1-N 3.22Å; L677-W738 HydrophobicContact CB-CD2 3.91Å; L677-W738 HydrophobicContact CB-CE3 3.82Å; L677-W738 HydrophobicContact CB-CH2 4.17Å; L677-W738 HydrophobicContact CB-CZ2 4.26Å; L677-W738 HydrophobicContact CB-CZ3 3.96Å; L677-W738 HydrophobicContact CD1-CE3 4.06Å; L677-W738 HydrophobicContact CD1-CH2 3.93Å; L677-W738 HydrophobicContact CD1-CZ3 3.52Å; L677-W738 HydrophobicContact CG-CE3 4.5Å; L677-W738 HydrophobicContact CG-CZ3 4.36Å; T736-W738 PolarHBondContact O-N 2.91Å; T736-W738 WeakPolarHBondContact OG1-CB 3.44Å; T736-W738 PolarHBondContact OG1-N 3.16Å; W738-G740 PolarHBondContact O-N 3.2Å; W738-G740 VanDerWaalsContact O-N 3.11Å; W738-L741 WeakPolarHBondContact O-CB 3.45Å; W738-L741 PolarHBondContact O-N 3.12Å; W738-F770 HydrophobicContact CD2-CE1 4.01Å; W738-F770 AromaticContact CE2-CE1 3.94Å; W738-F770 HydrophobicContact CE3-CE1 4.47Å; W738-F770 HydrophobicContact CG-CD1 4.41Å; W738-F770 HydrophobicContact CG-CE1 4.31Å; W738-F770 HydrophobicContact CZ2-CE1 4.37Å |
| 739 | G | 94.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -61.2 | -24 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E737 L741 Q768 R769 F770 E771 | E737-G739 PolarHBondContact O-N 2.86Å; G739-L741 VanDerWaalsContact C-N 3.28Å; G739-L741 PolarHBondContact O-N 3.36Å; G739-Q768 CarbonylContact O-C 3.59Å; G739-Q768 WeakPolarHBondContact O-CA 3.5Å; G739-R769 PolarHBondContact O-N 2.88Å; G739-F770 PolarHBondContact O-N 3.33Å; G739-E771 PolarHBondContact O-N 3.27Å |
| 740 | G | 93.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -72.7 | -9.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | T509 E737 W738 G742 N743 | T509-G740 WeakPolarHBondContact CB-O 3.21Å; E737-G740 PolarHBondContact O-N 3.36Å; W738-G740 PolarHBondContact O-N 3.2Å; W738-G740 VanDerWaalsContact O-N 3.11Å; G740-G742 PolarHBondContact O-N 3.5Å; G740-N743 WeakPolarHBondContact CA-ND2 3.46Å; G740-N743 VanDerWaalsContact O-CB 3.26Å; G740-N743 WeakPolarHBondContact O-CB 3.47Å; G740-N743 PolarHBondContact O-N 2.85Å; G740-N743 VanDerWaalsContact O-N 3.11Å; G740-N743 PolarHBondContact O-ND2 2.95Å; G740-N743 PolarHBondContact O-OD1 3.03Å |
| 741 | L | 96.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 134.5 | 174.4 | 179.2 | 68.4 | 0 | 0 | 0 | 110.1 | R494 M495 I510 W738 G739 L747 F770 | R494-L741 HydrophobicContact CB-CD1 4.38Å; M495-L741 HydrophobicContact CB-CD2 4.3Å; M495-L741 HydrophobicContact CE-CD2 3.6Å; M495-L741 HydrophobicContact SD-CD2 4.22Å; I510-L741 HydrophobicContact CD1-CB 4.06Å; I510-L741 HydrophobicContact CD1-CD1 4.16Å; I510-L741 HydrophobicContact CG1-CB 4.18Å; W738-L741 WeakPolarHBondContact O-CB 3.45Å; W738-L741 PolarHBondContact O-N 3.12Å; G739-L741 VanDerWaalsContact C-N 3.28Å; G739-L741 PolarHBondContact O-N 3.36Å; L741-L747 HydrophobicContact CD2-CD1 4.38Å; L741-L747 HydrophobicContact CD2-CD2 4.42Å; L741-L747 HydrophobicContact CG-CD1 4.08Å; L741-L747 HydrophobicContact CG-CD2 4.47Å; L741-L747 HydrophobicContact CG-CG 4.38Å; L741-F770 HydrophobicContact CB-CB 3.78Å; L741-F770 HydrophobicContact CB-CD2 4.47Å; L741-F770 HydrophobicContact CB-CG 4.17Å; L741-F770 HydrophobicContact CD2-CD2 3.85Å; L741-F770 HydrophobicContact CD2-CE2 4.22Å; L741-F770 HydrophobicContact CD2-CG 4.33Å; L741-F770 VanDerWaalsContact O-CB 3.31Å; L741-F770 WeakPolarHBondContact O-CB 3.43Å; L741-F770 PolarHBondContact O-N 3Å |
| 742 | G | 94.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -7.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G740 D744 R745 C746 R769 | G740-G742 PolarHBondContact O-N 3.5Å; G742-D744 PolarHBondContact O-N 3.02Å; G742-R745 WeakPolarHBondContact O-CA 3.48Å; G742-R745 PolarHBondContact O-N 2.89Å; G742-C746 PolarHBondContact N-SG 3.5Å; G742-R769 VanDerWaalsContact O-CD 3.3Å; G742-R769 WeakPolarHBondContact O-CD 3.44Å; G742-R769 PolarHBondContact O-NH1 3.32Å |
| 743 | N | 94.4 | Very high | 95.3 | Very high | 38 Ų | 38 | 31.4 Ų | 31.4 | 20% | 0.203 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24.4 | 174.6 | -69.3 | -5.1 | 0 | 0 | 0 | 112.9 | T509 G740 R745 K767 Q768 R769 | T509-N743 HydrophobicContact CG2-CB 3.88Å; G740-N743 WeakPolarHBondContact CA-ND2 3.46Å; G740-N743 VanDerWaalsContact O-CB 3.26Å; G740-N743 WeakPolarHBondContact O-CB 3.47Å; G740-N743 PolarHBondContact O-N 2.85Å; G740-N743 VanDerWaalsContact O-N 3.11Å; G740-N743 PolarHBondContact O-ND2 2.95Å; G740-N743 PolarHBondContact O-OD1 3.03Å; N743-R745 VanDerWaalsContact C-N 3.3Å; N743-K767 VanDerWaalsContact OD1-C 3.27Å; N743-K767 WeakPolarHBondContact OD1-CA 3.41Å; N743-Q768 PolarHBondContact OD1-N 3.45Å; N743-R769 PolarHBondContact OD1-N 3.24Å |
| 744 | D | 93.3 | Very high | 95.3 | Very high | 91 Ų | 91 | 32.5 Ų | 32.5 | 49% | 0.487 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 9.4 | 173 | 56.6 | 2.3 | 0 | 0 | 0 | 113.3 | T509 G742 C746 | T509-D744 HydrophobicContact CG2-CB 3.68Å; G742-D744 PolarHBondContact O-N 3.02Å; D744-C746 VanDerWaalsContact C-N 3.3Å; D744-C746 PolarHBondContact O-N 2.92Å; D744-C746 WeakPolarHBondContact OD1-CB 3.41Å; D744-C746 PolarHBondContact OD1-N 2.98Å; D744-C746 PolarHBondContact OD1-SG 3.26Å |
| 745 | R | 92.6 | Very high | 95.4 | Very high | 184 Ų | 184 | 33 Ų | 33 | 69% | 0.694 | 17% | 0.165 | S | C | * | . | S | Bend | trans | 68 | 20.4 | -176 | -51.5 | -170.6 | 178 | -172 | -3.1 | 114.7 | G742 N743 L747 E748 | G742-R745 WeakPolarHBondContact O-CA 3.48Å; G742-R745 PolarHBondContact O-N 2.89Å; N743-R745 VanDerWaalsContact C-N 3.3Å; R745-L747 PolarHBondContact O-N 2.77Å; R745-L747 VanDerWaalsContact O-N 3.12Å; R745-E748 HydrophobicContact CB-CG 3.74Å; R745-E748 WeakPolarHBondContact CB-OE1 3.4Å; R745-E748 HydrophobicContact CG-CG 4.48Å; R745-E748 WeakPolarHBondContact CG-OE1 3.39Å; R745-E748 WeakPolarHBondContact O-CG 3.38Å |
| 746 | C | 93.6 | Very high | 95.4 | Very high | 32 Ų | 32 | 34.1 Ų | 34.1 | 22% | 0.216 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -2 | 173.4 | 70.3 | 0 | 0 | 0 | 0 | 114.4 | R494 G742 D744 | R494-C746 WeakPolarHBondContact CD-O 3.4Å; R494-C746 PolarHBondContact NE-O 3.44Å; R494-C746 PolarHBondContact NH1-O 2.94Å; G742-C746 PolarHBondContact N-SG 3.5Å; D744-C746 VanDerWaalsContact C-N 3.3Å; D744-C746 PolarHBondContact O-N 2.92Å; D744-C746 WeakPolarHBondContact OD1-CB 3.41Å; D744-C746 PolarHBondContact OD1-N 2.98Å; D744-C746 PolarHBondContact OD1-SG 3.26Å |
| 747 | L | 95.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 11.1 | -179.5 | -63.8 | -178.1 | 0 | 0 | 0 | 114.6 | L741 R745 D749 I750 I751 F770 L773 M862 | L741-L747 HydrophobicContact CD2-CD1 4.38Å; L741-L747 HydrophobicContact CD2-CD2 4.42Å; L741-L747 HydrophobicContact CG-CD1 4.08Å; L741-L747 HydrophobicContact CG-CD2 4.47Å; L741-L747 HydrophobicContact CG-CG 4.38Å; R745-L747 PolarHBondContact O-N 2.77Å; R745-L747 VanDerWaalsContact O-N 3.12Å; L747-D749 PolarHBondContact O-N 3.18Å; L747-D749 VanDerWaalsContact O-N 3.16Å; L747-I750 HydrophobicContact CD2-CD1 4.12Å; L747-I750 PolarHBondContact O-N 3.04Å; L747-I751 HydrophobicContact CB-CD1 4.09Å; L747-I751 HydrophobicContact CB-CG1 4.29Å; L747-I751 WeakPolarHBondContact O-CG1 3.38Å; L747-I751 PolarHBondContact O-N 2.83Å; L747-F770 HydrophobicContact CD1-CB 4.26Å; L747-F770 HydrophobicContact CD1-CD2 4.11Å; L747-L773 HydrophobicContact CD1-CD1 4.37Å; L747-M862 HydrophobicContact CD1-CE 4.49Å |
| 748 | E | 94.6 | Very high | 95.5 | Very high | 84 Ų | 84 | 37.4 Ų | 37.4 | 39% | 0.393 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23.1 | -173.1 | -63.4 | -66.1 | 175.1 | 0 | 0 | 114.8 | R745 I750 R769 | R745-E748 HydrophobicContact CB-CG 3.74Å; R745-E748 WeakPolarHBondContact CB-OE1 3.4Å; R745-E748 HydrophobicContact CG-CG 4.48Å; R745-E748 WeakPolarHBondContact CG-OE1 3.39Å; R745-E748 WeakPolarHBondContact O-CG 3.38Å; E748-I750 VanDerWaalsContact C-N 3.25Å; E748-I750 PolarHBondContact O-N 2.76Å; E748-R769 IonicContact OE1-CZ 3.35Å; E748-R769 IonicContact OE1-NH1 3.76Å; E748-R769 PolarHBondContact OE1-NH1 3.2Å; E748-R769 IonicContact OE1-NH2 3.86Å; E748-R769 PolarHBondContact OE1-NH2 2.97Å; E748-R769 IonicContact OE2-CZ 3.57Å; E748-R769 IonicContact OE2-NH1 2.94Å; E748-R769 IonicContact OE2-NH2 3.72Å; E748-R769 PolarHBondContact OE2-NH2 3.36Å |
| 749 | D | 93.2 | Very high | 95.5 | Very high | 76 Ų | 76 | 38 Ų | 38 | 41% | 0.406 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -7.5 | 174.8 | 59.1 | -21.5 | 0 | 0 | 0 | 113.9 | L490 R494 L747 | L490-D749 WeakPolarHBondContact CD2-OD2 3.25Å; R494-D749 IonicContact CZ-OD1 3.28Å; R494-D749 IonicContact CZ-OD2 3.21Å; R494-D749 IonicContact NH1-OD1 2.66Å; R494-D749 PolarHBondContact NH1-OD1 2.92Å; R494-D749 IonicContact NH1-OD2 2.68Å; R494-D749 PolarHBondContact NH1-OD2 3.46Å; R494-D749 IonicContact NH2-OD1 2.79Å; R494-D749 PolarHBondContact NH2-OD1 3.32Å; R494-D749 IonicContact NH2-OD2 3.18Å; R494-D749 PolarHBondContact NH2-OD2 3.45Å; L747-D749 PolarHBondContact O-N 3.18Å; L747-D749 VanDerWaalsContact O-N 3.16Å |
| 750 | I | 94.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -31.2 | 177 | -65.4 | 159.5 | 0 | 0 | 0 | 111.2 | L483 V491 L747 E748 T752 M862 | L483-I750 HydrophobicContact CD2-CG2 4.1Å; V491-I750 HydrophobicContact CG2-CD1 3.34Å; L747-I750 HydrophobicContact CD2-CD1 4.12Å; L747-I750 PolarHBondContact O-N 3.04Å; E748-I750 VanDerWaalsContact C-N 3.25Å; E748-I750 PolarHBondContact O-N 2.76Å; I750-T752 PolarHBondContact O-N 2.88Å; I750-M862 HydrophobicContact CG2-CE 4.11Å; I750-M862 HydrophobicContact CG2-SD 4.15Å |
| 751 | I | 96.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 49 Ų | 49 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | trans | -66.5 | 124.2 | 179.7 | -72.5 | 176.2 | 0 | 0 | 0 | 109.9 | L747 D755 A756 L773 | L747-I751 HydrophobicContact CB-CD1 4.09Å; L747-I751 HydrophobicContact CB-CG1 4.29Å; L747-I751 WeakPolarHBondContact O-CG1 3.38Å; L747-I751 PolarHBondContact O-N 2.83Å; I751-D755 HydrophobicContact CG2-CB 3.97Å; I751-A756 HydrophobicContact CG2-CB 4.42Å; I751-L773 HydrophobicContact CG1-CD1 4.17Å | ||
| 752 | T | 97.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 50 Ų | 50 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | trans | -86.7 | 165.1 | 176.6 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | L480 F481 I750 Y754 D755 A756 | L480-T752 HydrophobicContact CB-CG2 3.84Å; F481-T752 HydrophobicContact CE1-CG2 4.36Å; I750-T752 PolarHBondContact O-N 2.88Å; T752-Y754 PolarHBondContact O-N 2.86Å; T752-Y754 PolarHBondContact OG1-N 2.79Å; T752-D755 VanDerWaalsContact CB-OD2 3.27Å; T752-D755 WeakPolarHBondContact CB-OD2 3.36Å; T752-D755 WeakPolarHBondContact CG2-OD2 3.19Å; T752-D755 PolarHBondContact N-OD2 2.87Å; T752-D755 PolarHBondContact O-N 2.78Å; T752-D755 VanDerWaalsContact O-N 3.1Å; T752-D755 VanDerWaalsContact OG1-CG 3.23Å; T752-D755 PolarHBondContact OG1-N 2.94Å; T752-D755 PolarHBondContact OG1-OD2 2.75Å; T752-A756 PolarHBondContact O-N 3.3Å; T752-A756 VanDerWaalsContact O-N 3.07Å | ||
| 753 | P | 97.6 | Very high | 94.5 | Very high | 93 Ų | 93 | 53.5 Ų | 53.5 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -56 | -32.3 | 171.2 | -26 | 36 | 0 | 0 | 0 | 113.1 | E757 | P753-E757 PolarHBondContact O-N 2.87Å; P753-E757 VanDerWaalsContact O-N 3.12Å |
| 754 | Y | 98 | Very high | 94 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 9% | 0.09 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 177.1 | -48.6 | -66.8 | 0 | 0 | 0 | 111.5 | L480 F481 T752 E757 V758 Q785 V786 D789 | L480-Y754 HydrophobicContact CD1-CE2 4.01Å; F481-Y754 AromaticContact CE2-CD2 3.7Å; F481-Y754 HydrophobicContact CE2-CD2 3.7Å; F481-Y754 AromaticContact CE2-CE2 3.9Å; F481-Y754 HydrophobicContact CE2-CE2 3.9Å; F481-Y754 AromaticContact CZ-CD2 3.53Å; F481-Y754 HydrophobicContact CZ-CD2 3.53Å; F481-Y754 HydrophobicContact CZ-CE2 4.21Å; F481-Y754 HydrophobicContact CZ-CG 4.27Å; T752-Y754 PolarHBondContact O-N 2.86Å; T752-Y754 PolarHBondContact OG1-N 2.79Å; Y754-E757 PolarHBondContact O-N 3.49Å; Y754-V758 WeakPolarHBondContact O-CG2 3.31Å; Y754-V758 PolarHBondContact O-N 3.36Å; Y754-V758 VanDerWaalsContact O-N 3.11Å; Y754-Q785 HydrophobicContact CD1-CB 4.26Å; Y754-V786 HydrophobicContact CD1-CG2 3.94Å; Y754-V786 HydrophobicContact CD2-CG2 3.71Å; Y754-V786 HydrophobicContact CE1-CG2 4.2Å; Y754-V786 HydrophobicContact CE2-CG2 3.94Å; Y754-V786 HydrophobicContact CG-CG2 3.69Å; Y754-D789 HydrophobicContact CE1-CB 3.69Å; Y754-D789 PolarHBondContact OH-OD2 3.46Å |
| 755 | D | 98.1 | Very high | 94 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 177.7 | -56.1 | -58.2 | 0 | 0 | 0 | 111.6 | I751 T752 E757 V758 D759 L773 I782 R858 | I751-D755 HydrophobicContact CG2-CB 3.97Å; T752-D755 VanDerWaalsContact CB-OD2 3.27Å; T752-D755 WeakPolarHBondContact CB-OD2 3.36Å; T752-D755 WeakPolarHBondContact CG2-OD2 3.19Å; T752-D755 PolarHBondContact N-OD2 2.87Å; T752-D755 PolarHBondContact O-N 2.78Å; T752-D755 VanDerWaalsContact O-N 3.1Å; T752-D755 VanDerWaalsContact OG1-CG 3.23Å; T752-D755 PolarHBondContact OG1-N 2.94Å; T752-D755 PolarHBondContact OG1-OD2 2.75Å; D755-E757 VanDerWaalsContact C-N 3.31Å; D755-E757 PolarHBondContact O-N 3.07Å; D755-V758 PolarHBondContact O-N 3.05Å; D755-D759 WeakPolarHBondContact O-CB 3.35Å; D755-D759 PolarHBondContact O-N 3.5Å; D755-L773 HydrophobicContact CB-CD2 3.65Å; D755-L773 WeakPolarHBondContact OD1-CD2 3.13Å; D755-I782 WeakPolarHBondContact OD1-CD1 2.99Å; D755-R858 VanDerWaalsContact CG-NH1 3.33Å; D755-R858 IonicContact OD1-CZ 3.77Å; D755-R858 IonicContact OD1-NH1 2.63Å; D755-R858 PolarHBondContact OD1-NH1 3.39Å; D755-R858 IonicContact OD1-NH2 2.69Å; D755-R858 PolarHBondContact OD1-NH2 2.87Å; D755-R858 IonicContact OD2-CZ 2.77Å; D755-R858 IonicContact OD2-NH1 3.75Å; D755-R858 PolarHBondContact OD2-NH1 2.7Å; D755-R858 IonicContact OD2-NH2 3.12Å |
| 756 | A | 96.9 | Very high | 94 | Very high | 32 Ų | 32 | 45.2 Ų | 45.2 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I751 T752 D759 I760 | I751-A756 HydrophobicContact CG2-CB 4.42Å; T752-A756 PolarHBondContact O-N 3.3Å; T752-A756 VanDerWaalsContact O-N 3.07Å; A756-D759 PolarHBondContact O-N 3.33Å; A756-I760 VanDerWaalsContact O-CG1 3.28Å; A756-I760 WeakPolarHBondContact O-CG1 3.19Å; A756-I760 PolarHBondContact O-N 3.2Å |
| 757 | E | 97.1 | Very high | 93.9 | Very high | 74 Ų | 74 | 49.6 Ų | 49.6 | 35% | 0.346 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.2 | -171.6 | 66.4 | -173.5 | 0 | 0 | 112 | P753 Y754 D755 H761 Q785 | P753-E757 PolarHBondContact O-N 2.87Å; P753-E757 VanDerWaalsContact O-N 3.12Å; Y754-E757 PolarHBondContact O-N 3.49Å; D755-E757 VanDerWaalsContact C-N 3.31Å; D755-E757 PolarHBondContact O-N 3.07Å; E757-H761 VanDerWaalsContact CD-CE1 3.42Å; E757-H761 PolarHBondContact O-N 2.76Å; E757-H761 PolarHBondContact O-ND1 2.84Å; E757-H761 IonicContact OE1-CE1 3.76Å; E757-H761 PolarHBondContact OE1-CE1 3.23Å; E757-H761 IonicContact OE1-ND1 3.72Å; E757-H761 PolarHBondContact OE1-ND1 3.36Å; E757-H761 IonicContact OE1-NE2 3.33Å; E757-H761 IonicContact OE2-CE1 3.02Å; E757-Q785 HydrophobicContact CB-CG 4.48Å; E757-Q785 HydrophobicContact CG-CG 4.25Å |
| 758 | V | 96.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 174 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | Y754 D755 S762 Y778 E781 I782 Q785 | Y754-V758 WeakPolarHBondContact O-CG2 3.31Å; Y754-V758 PolarHBondContact O-N 3.36Å; Y754-V758 VanDerWaalsContact O-N 3.11Å; D755-V758 PolarHBondContact O-N 3.05Å; V758-S762 WeakPolarHBondContact O-CB 2.87Å; V758-S762 PolarHBondContact O-N 3.44Å; V758-S762 VanDerWaalsContact O-N 3.11Å; V758-Y778 HydrophobicContact CG1-CD1 4.06Å; V758-E781 HydrophobicContact CG1-CB 4.35Å; V758-E781 HydrophobicContact CG1-CG 4.17Å; V758-E781 HydrophobicContact CG2-CB 4.19Å; V758-E781 HydrophobicContact CG2-CG 3.81Å; V758-I782 HydrophobicContact CB-CG1 4.45Å; V758-I782 HydrophobicContact CG2-CG1 3.83Å; V758-Q785 HydrophobicContact CG2-CG 3.98Å |
| 759 | D | 95.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 8% | 0.08 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.5 | -48.9 | 179.2 | -172.9 | 22.8 | 0 | 0 | 0 | 112 | D755 A756 H761 S762 P765 G766 R769 K772 | D755-D759 WeakPolarHBondContact O-CB 3.35Å; D755-D759 PolarHBondContact O-N 3.5Å; A756-D759 PolarHBondContact O-N 3.33Å; D759-H761 VanDerWaalsContact C-N 3.29Å; D759-H761 PolarHBondContact O-N 2.76Å; D759-S762 WeakPolarHBondContact O-CB 3.3Å; D759-S762 PolarHBondContact O-N 3.2Å; D759-S762 VanDerWaalsContact O-N 3.17Å; D759-S762 PolarHBondContact O-OG 3.3Å; D759-P765 WeakPolarHBondContact O-CA 3.41Å; D759-G766 PolarHBondContact OD1-N 3.12Å; D759-G766 PolarHBondContact OD2-N 3.16Å; D759-R769 IonicContact OD2-CZ 3.44Å; D759-R769 IonicContact OD2-NE 2.69Å; D759-R769 PolarHBondContact OD2-NE 2.88Å; D759-R769 VanDerWaalsContact OD2-NE 3.14Å; D759-K772 HydrophobicContact CB-CD 4.35Å; D759-K772 IonicContact OD1-NZ 2.79Å; D759-K772 PolarHBondContact OD1-NZ 3.23Å |
| 760 | I | 95.6 | Very high | 94.1 | Very high | 107 Ų | 107 | 44 Ų | 44 | 55% | 0.549 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.2 | -39.5 | -178.6 | -70.8 | 164.8 | 0 | 0 | 0 | 111.9 | A756 P765 | A756-I760 VanDerWaalsContact O-CG1 3.28Å; A756-I760 WeakPolarHBondContact O-CG1 3.19Å; A756-I760 PolarHBondContact O-N 3.2Å; I760-P765 WeakPolarHBondContact O-CG 3.45Å |
| 761 | H | 91.2 | Very high | 94.1 | Very high | 126 Ų | 126 | 44.1 Ų | 44.1 | 58% | 0.583 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 2.3 | -177.6 | -62.1 | 92.6 | 0 | 0 | 0 | 113.7 | E757 D759 | E757-H761 VanDerWaalsContact CD-CE1 3.42Å; E757-H761 PolarHBondContact O-N 2.76Å; E757-H761 PolarHBondContact O-ND1 2.84Å; E757-H761 IonicContact OE1-CE1 3.76Å; E757-H761 PolarHBondContact OE1-CE1 3.23Å; E757-H761 IonicContact OE1-ND1 3.72Å; E757-H761 PolarHBondContact OE1-ND1 3.36Å; E757-H761 IonicContact OE1-NE2 3.33Å; E757-H761 IonicContact OE2-CE1 3.02Å; D759-H761 VanDerWaalsContact C-N 3.29Å; D759-H761 PolarHBondContact O-N 2.76Å |
| 762 | S | 89.6 | Confident | 94.2 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -73.4 | 166 | 176 | 73.6 | 0 | 0 | 0 | 0 | 112.2 | V758 D759 N764 P765 K772 | V758-S762 WeakPolarHBondContact O-CB 2.87Å; V758-S762 PolarHBondContact O-N 3.44Å; V758-S762 VanDerWaalsContact O-N 3.11Å; D759-S762 WeakPolarHBondContact O-CB 3.3Å; D759-S762 PolarHBondContact O-N 3.2Å; D759-S762 VanDerWaalsContact O-N 3.17Å; D759-S762 PolarHBondContact O-OG 3.3Å; S762-N764 PolarHBondContact O-N 2.94Å; S762-N764 PolarHBondContact OG-N 2.94Å; S762-N764 PolarHBondContact OG-OD1 3.01Å; S762-P765 WeakPolarHBondContact O-CD 3.48Å; S762-K772 VanDerWaalsContact OG-CE 3.26Å; S762-K772 WeakPolarHBondContact OG-CE 3.31Å; S762-K772 PolarHBondContact OG-NZ 3.29Å |
| 763 | V | 82.8 | Confident | 94.1 | Very high | 75 Ų | 75 | 43.2 Ų | 43.2 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -65.6 | -15.9 | 174.6 | -65.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 764 | N | 84.1 | Confident | 94.1 | Very high | 29 Ų | 29 | 38.8 Ų | 38.8 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -140.1 | 66.6 | -174.6 | 58.7 | -15.1 | 0 | 0 | 0 | 111.9 | S762 G766 K767 Q768 K772 | S762-N764 PolarHBondContact O-N 2.94Å; S762-N764 PolarHBondContact OG-N 2.94Å; S762-N764 PolarHBondContact OG-OD1 3.01Å; N764-G766 PolarHBondContact O-N 3.21Å; N764-K767 HydrophobicContact CB-CB 4.24Å; N764-K767 PolarHBondContact O-N 3Å; N764-K767 VanDerWaalsContact O-N 3.16Å; N764-Q768 WeakPolarHBondContact ND2-CG 3.23Å; N764-K772 PolarHBondContact O-NZ 3.39Å; N764-K772 WeakPolarHBondContact OD1-CE 3.27Å; N764-K772 PolarHBondContact OD1-NZ 3.28Å |
| 765 | P | 92.4 | Very high | 93.9 | Very high | 78 Ų | 78 | 37.7 Ų | 37.7 | 51% | 0.506 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 137.4 | -176.4 | -24.6 | 36 | 0 | 0 | 0 | 113.3 | D759 I760 S762 K767 | D759-P765 WeakPolarHBondContact O-CA 3.41Å; I760-P765 WeakPolarHBondContact O-CG 3.45Å; S762-P765 WeakPolarHBondContact O-CD 3.48Å; P765-K767 PolarHBondContact O-N 2.95Å |
| 766 | G | 93 | Very high | 93.6 | Very high | 32 Ų | 32 | 37.4 Ų | 37.4 | 33% | 0.33 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 2.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | D759 N764 | D759-G766 PolarHBondContact OD1-N 3.12Å; D759-G766 PolarHBondContact OD2-N 3.16Å; N764-G766 PolarHBondContact O-N 3.21Å |
| 767 | K | 91.9 | Very high | 93.3 | Very high | 124 Ų | 124 | 39.5 Ų | 39.5 | 54% | 0.539 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -114.1 | 161.4 | 174.7 | -57.7 | -63.5 | -175.1 | -179.4 | 0 | 110.6 | N743 N764 P765 R769 K772 | N743-K767 VanDerWaalsContact OD1-C 3.27Å; N743-K767 WeakPolarHBondContact OD1-CA 3.41Å; N764-K767 HydrophobicContact CB-CB 4.24Å; N764-K767 PolarHBondContact O-N 3Å; N764-K767 VanDerWaalsContact O-N 3.16Å; P765-K767 PolarHBondContact O-N 2.95Å; K767-R769 PolarHBondContact O-N 3.4Å; K767-K772 WeakPolarHBondContact O-CE 3.22Å; K767-K772 PolarHBondContact O-NZ 3.37Å |
| 768 | Q | 92.7 | Very high | 93.2 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 9% | 0.093 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 53.5 | 34.7 | 177.6 | -59.6 | -57.2 | 97.3 | 0 | 0 | 113.5 | G739 N743 N764 F770 E771 K772 | G739-Q768 CarbonylContact O-C 3.59Å; G739-Q768 WeakPolarHBondContact O-CA 3.5Å; N743-Q768 PolarHBondContact OD1-N 3.45Å; N764-Q768 WeakPolarHBondContact ND2-CG 3.23Å; Q768-F770 PolarHBondContact O-N 3.27Å; Q768-E771 HydrophobicContact CB-CB 4.18Å; Q768-E771 PolarHBondContact NE2-OE1 3.27Å; Q768-E771 PolarHBondContact O-N 2.57Å; Q768-K772 WeakPolarHBondContact O-CG 3.49Å; Q768-K772 PolarHBondContact O-N 2.93Å |
| 769 | R | 95.6 | Very high | 93.2 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | -170.1 | -65.7 | -172.1 | 89 | -160.7 | 2.7 | 112.4 | G739 G742 N743 E748 D759 K767 K772 L773 | G739-R769 PolarHBondContact O-N 2.88Å; G742-R769 VanDerWaalsContact O-CD 3.3Å; G742-R769 WeakPolarHBondContact O-CD 3.44Å; G742-R769 PolarHBondContact O-NH1 3.32Å; N743-R769 PolarHBondContact OD1-N 3.24Å; E748-R769 IonicContact OE1-CZ 3.35Å; E748-R769 IonicContact OE1-NH1 3.76Å; E748-R769 PolarHBondContact OE1-NH1 3.2Å; E748-R769 IonicContact OE1-NH2 3.86Å; E748-R769 PolarHBondContact OE1-NH2 2.97Å; E748-R769 IonicContact OE2-CZ 3.57Å; E748-R769 IonicContact OE2-NH1 2.94Å; E748-R769 IonicContact OE2-NH2 3.72Å; E748-R769 PolarHBondContact OE2-NH2 3.36Å; D759-R769 IonicContact OD2-CZ 3.44Å; D759-R769 IonicContact OD2-NE 2.69Å; D759-R769 PolarHBondContact OD2-NE 2.88Å; D759-R769 VanDerWaalsContact OD2-NE 3.14Å; K767-R769 PolarHBondContact O-N 3.4Å; R769-K772 PolarHBondContact O-N 3.38Å; R769-L773 WeakPolarHBondContact O-CG 3.05Å; R769-L773 PolarHBondContact O-N 3.05Å |
| 770 | F | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.1 | -38.3 | 174.6 | -176.6 | -97.9 | 0 | 0 | 0 | 113 | V491 M495 W738 G739 L741 L747 Q768 K772 L773 T774 M862 | V491-F770 HydrophobicContact CG1-CE2 4.23Å; M495-F770 HydrophobicContact CE-CD1 4.31Å; M495-F770 HydrophobicContact CE-CE1 3.9Å; M495-F770 HydrophobicContact CE-CE2 4.18Å; M495-F770 HydrophobicContact CE-CZ 3.83Å; W738-F770 HydrophobicContact CD2-CE1 4.01Å; W738-F770 AromaticContact CE2-CE1 3.94Å; W738-F770 HydrophobicContact CE3-CE1 4.47Å; W738-F770 HydrophobicContact CG-CD1 4.41Å; W738-F770 HydrophobicContact CG-CE1 4.31Å; W738-F770 HydrophobicContact CZ2-CE1 4.37Å; G739-F770 PolarHBondContact O-N 3.33Å; L741-F770 HydrophobicContact CB-CB 3.78Å; L741-F770 HydrophobicContact CB-CD2 4.47Å; L741-F770 HydrophobicContact CB-CG 4.17Å; L741-F770 HydrophobicContact CD2-CD2 3.85Å; L741-F770 HydrophobicContact CD2-CE2 4.22Å; L741-F770 HydrophobicContact CD2-CG 4.33Å; L741-F770 VanDerWaalsContact O-CB 3.31Å; L741-F770 WeakPolarHBondContact O-CB 3.43Å; L741-F770 PolarHBondContact O-N 3Å; L747-F770 HydrophobicContact CD1-CB 4.26Å; L747-F770 HydrophobicContact CD1-CD2 4.11Å; Q768-F770 PolarHBondContact O-N 3.27Å; F770-K772 VanDerWaalsContact C-N 3.32Å; F770-K772 PolarHBondContact O-N 2.96Å; F770-L773 PolarHBondContact O-N 3.37Å; F770-T774 HydrophobicContact CD1-CG2 4.49Å; F770-T774 HydrophobicContact CE1-CG2 4.13Å; F770-T774 HydrophobicContact CE2-CG2 4.4Å; F770-T774 HydrophobicContact CZ-CG2 4.08Å; F770-T774 WeakPolarHBondContact O-CG2 3.42Å; F770-T774 PolarHBondContact O-N 3.12Å; F770-T774 PolarHBondContact O-OG1 3.49Å; F770-M862 HydrophobicContact CD2-CE 3.84Å; F770-M862 HydrophobicContact CE2-CB 4.08Å; F770-M862 HydrophobicContact CE2-CE 3.82Å; F770-M862 HydrophobicContact CZ-CB 4.38Å |
| 771 | E | 96.2 | Very high | 93.3 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.2 | -37 | 175.9 | 173.6 | 171 | 70.6 | 0 | 0 | 112 | G674 S675 G739 Q768 L773 T774 S775 Y778 | G674-E771 WeakPolarHBondContact CA-OE2 3.43Å; S675-E771 PolarHBondContact N-OE2 2.92Å; G739-E771 PolarHBondContact O-N 3.27Å; Q768-E771 HydrophobicContact CB-CB 4.18Å; Q768-E771 PolarHBondContact NE2-OE1 3.27Å; Q768-E771 PolarHBondContact O-N 2.57Å; E771-L773 PolarHBondContact O-N 2.97Å; E771-T774 PolarHBondContact O-N 3.46Å; E771-T774 VanDerWaalsContact O-N 3.12Å; E771-T774 PolarHBondContact O-OG1 2.63Å; E771-S775 WeakPolarHBondContact CG-OG 3.42Å; E771-S775 WeakPolarHBondContact O-CB 3.4Å; E771-S775 PolarHBondContact O-N 2.85Å; E771-S775 PolarHBondContact O-OG 3.32Å; E771-Y778 HydrophobicContact CG-CE2 4.2Å |
| 772 | K | 96.5 | Very high | 93.6 | Very high | 8 Ų | 8 | 25.8 Ų | 25.8 | 4% | 0.035 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.9 | -29.2 | 174.6 | -75.9 | 166.1 | 173.9 | 163.7 | 0 | 113.5 | D759 S762 N764 K767 Q768 R769 F770 Y778 I782 | D759-K772 HydrophobicContact CB-CD 4.35Å; D759-K772 IonicContact OD1-NZ 2.79Å; D759-K772 PolarHBondContact OD1-NZ 3.23Å; S762-K772 VanDerWaalsContact OG-CE 3.26Å; S762-K772 WeakPolarHBondContact OG-CE 3.31Å; S762-K772 PolarHBondContact OG-NZ 3.29Å; N764-K772 PolarHBondContact O-NZ 3.39Å; N764-K772 WeakPolarHBondContact OD1-CE 3.27Å; N764-K772 PolarHBondContact OD1-NZ 3.28Å; K767-K772 WeakPolarHBondContact O-CE 3.22Å; K767-K772 PolarHBondContact O-NZ 3.37Å; Q768-K772 WeakPolarHBondContact O-CG 3.49Å; Q768-K772 PolarHBondContact O-N 2.93Å; R769-K772 PolarHBondContact O-N 3.38Å; F770-K772 VanDerWaalsContact C-N 3.32Å; F770-K772 PolarHBondContact O-N 2.96Å; K772-Y778 HydrophobicContact CB-CD1 4.46Å; K772-Y778 HydrophobicContact CB-CD2 4.29Å; K772-Y778 HydrophobicContact CB-CG 4.16Å; K772-Y778 HydrophobicContact CG-CD1 3.8Å; K772-Y778 HydrophobicContact CG-CD2 3.96Å; K772-Y778 HydrophobicContact CG-CE1 3.74Å; K772-Y778 HydrophobicContact CG-CE2 3.91Å; K772-Y778 HydrophobicContact CG-CG 3.89Å; K772-Y778 WeakPolarHBondContact O-CB 3.32Å; K772-I782 WeakPolarHBondContact O-CD1 3.33Å |
| 773 | L | 97.3 | Very high | 94 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -83 | -15.1 | 177.5 | -59.5 | 173.4 | 0 | 0 | 0 | 113.2 | L747 I751 D755 R769 F770 E771 L779 A859 M862 | L747-L773 HydrophobicContact CD1-CD1 4.37Å; I751-L773 HydrophobicContact CG1-CD1 4.17Å; D755-L773 HydrophobicContact CB-CD2 3.65Å; D755-L773 WeakPolarHBondContact OD1-CD2 3.13Å; R769-L773 WeakPolarHBondContact O-CG 3.05Å; R769-L773 PolarHBondContact O-N 3.05Å; F770-L773 PolarHBondContact O-N 3.37Å; E771-L773 PolarHBondContact O-N 2.97Å; L773-L779 WeakPolarHBondContact O-CD2 3.42Å; L773-A859 WeakPolarHBondContact O-CB 3.32Å; L773-M862 HydrophobicContact CB-CE 4.34Å; L773-M862 HydrophobicContact CB-SD 3.9Å; L773-M862 HydrophobicContact CD1-CE 3.57Å; L773-M862 HydrophobicContact CD1-SD 3.9Å; L773-M862 HydrophobicContact CG-SD 4.49Å |
| 774 | T | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -126.7 | -21.8 | -163.9 | 55.2 | 0 | 0 | 0 | 0 | 115.7 | S675 F770 E771 M862 C863 L893 | S675-T774 WeakPolarHBondContact CB-OG1 3.3Å; S675-T774 PolarHBondContact OG-OG1 2.9Å; F770-T774 HydrophobicContact CD1-CG2 4.49Å; F770-T774 HydrophobicContact CE1-CG2 4.13Å; F770-T774 HydrophobicContact CE2-CG2 4.4Å; F770-T774 HydrophobicContact CZ-CG2 4.08Å; F770-T774 WeakPolarHBondContact O-CG2 3.42Å; F770-T774 PolarHBondContact O-N 3.12Å; F770-T774 PolarHBondContact O-OG1 3.49Å; E771-T774 PolarHBondContact O-N 3.46Å; E771-T774 VanDerWaalsContact O-N 3.12Å; E771-T774 PolarHBondContact O-OG1 2.63Å; T774-M862 HydrophobicContact CG2-CB 3.8Å; T774-C863 VanDerWaalsContact CB-SG 3.6Å; T774-L893 WeakPolarHBondContact O-CD2 3.34Å |
| 775 | S | 94.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -103.3 | 152.4 | -171.1 | 66.1 | 0 | 0 | 0 | 0 | 114.3 | T673 E771 M777 Y778 L779 | T673-S775 WeakPolarHBondContact O-CB 3.31Å; T673-S775 PolarHBondContact O-OG 3.39Å; E771-S775 WeakPolarHBondContact CG-OG 3.42Å; E771-S775 WeakPolarHBondContact O-CB 3.4Å; E771-S775 PolarHBondContact O-N 2.85Å; E771-S775 PolarHBondContact O-OG 3.32Å; S775-M777 PolarHBondContact O-N 2.89Å; S775-M777 VanDerWaalsContact O-N 3.13Å; S775-Y778 PolarHBondContact O-N 3.33Å; S775-Y778 WeakPolarHBondContact OG-CD2 3.36Å; S775-L779 WeakPolarHBondContact O-CG 3.46Å; S775-L779 PolarHBondContact O-N 3.11Å |
| 776 | G | 91.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 4% | 0.041 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.9 | -27.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G672 Y778 T813 | G672-G776 WeakPolarHBondContact O-CA 3.4Å; G672-G776 PolarHBondContact O-N 3.38Å; G776-Y778 PolarHBondContact O-N 3Å; G776-T813 WeakPolarHBondContact CA-OG1 3.39Å; G776-T813 PolarHBondContact O-OG1 2.94Å |
| 777 | M | 90.3 | Very high | 95.8 | Very high | 75 Ų | 75 | 16 Ų | 16 | 37% | 0.369 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -61.7 | -28.5 | 176.2 | -177.6 | 172.7 | -178.6 | 0 | 0 | 113 | T673 S775 | T673-M777 HydrophobicContact CG2-CB 4.02Å; T673-M777 HydrophobicContact CG2-SD 4.28Å; T673-M777 WeakPolarHBondContact O-CB 3.48Å; T673-M777 PolarHBondContact O-N 3.45Å; S775-M777 PolarHBondContact O-N 2.89Å; S775-M777 VanDerWaalsContact O-N 3.13Å |
| 778 | Y | 94.9 | Very high | 96.1 | Very high | 13 Ų | 13 | 10.2 Ų | 10.2 | 5% | 0.051 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -114.4 | -25.9 | -171.4 | -54.7 | -79.3 | 0 | 0 | 0 | 114 | V758 E771 K772 S775 G776 G780 E781 I782 | V758-Y778 HydrophobicContact CG1-CD1 4.06Å; E771-Y778 HydrophobicContact CG-CE2 4.2Å; K772-Y778 HydrophobicContact CB-CD1 4.46Å; K772-Y778 HydrophobicContact CB-CD2 4.29Å; K772-Y778 HydrophobicContact CB-CG 4.16Å; K772-Y778 HydrophobicContact CG-CD1 3.8Å; K772-Y778 HydrophobicContact CG-CD2 3.96Å; K772-Y778 HydrophobicContact CG-CE1 3.74Å; K772-Y778 HydrophobicContact CG-CE2 3.91Å; K772-Y778 HydrophobicContact CG-CG 3.89Å; K772-Y778 WeakPolarHBondContact O-CB 3.32Å; S775-Y778 PolarHBondContact O-N 3.33Å; S775-Y778 WeakPolarHBondContact OG-CD2 3.36Å; G776-Y778 PolarHBondContact O-N 3Å; Y778-G780 VanDerWaalsContact C-N 3.26Å; Y778-G780 PolarHBondContact O-N 3.5Å; Y778-E781 WeakPolarHBondContact O-CB 3.42Å; Y778-E781 PolarHBondContact O-N 3.43Å; Y778-I782 PolarHBondContact O-N 3.17Å |
| 779 | L | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -55.5 | -42.2 | -178.3 | -63.5 | -169.1 | 0 | 0 | 0 | 112.6 | L773 S775 E781 I782 V783 L816 V855 A859 L893 | L773-L779 WeakPolarHBondContact O-CD2 3.42Å; S775-L779 WeakPolarHBondContact O-CG 3.46Å; S775-L779 PolarHBondContact O-N 3.11Å; L779-E781 VanDerWaalsContact C-N 3.3Å; L779-E781 PolarHBondContact O-N 3.06Å; L779-I782 HydrophobicContact CD2-CD1 4.47Å; L779-I782 PolarHBondContact O-N 3.18Å; L779-V783 WeakPolarHBondContact O-CG2 3.17Å; L779-V783 PolarHBondContact O-N 3.33Å; L779-L816 HydrophobicContact CB-CD2 3.76Å; L779-V855 HydrophobicContact CB-CG1 4.19Å; L779-V855 HydrophobicContact CD2-CG1 4.03Å; L779-A859 HydrophobicContact CD1-CB 3.89Å; L779-A859 HydrophobicContact CD2-CB 3.65Å; L779-A859 HydrophobicContact CG-CB 4.42Å; L779-L893 HydrophobicContact CD1-CD1 4.05Å; L779-L893 HydrophobicContact CD1-CD2 3.76Å |
| 780 | G | 96.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.01 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -68.8 | -29.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y778 V783 R784 F811 | Y778-G780 VanDerWaalsContact C-N 3.26Å; Y778-G780 PolarHBondContact O-N 3.5Å; G780-V783 PolarHBondContact O-N 3.42Å; G780-R784 WeakPolarHBondContact O-CB 3.26Å; G780-R784 PolarHBondContact O-N 3.08Å; G780-F811 WeakPolarHBondContact CA-O 3.45Å; G780-F811 WeakPolarHBondContact O-CB 3.31Å |
| 781 | E | 96.6 | Very high | 96.2 | Very high | 27 Ų | 27 | 10.3 Ų | 10.3 | 13% | 0.126 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -73 | -36.7 | 174.6 | -168.1 | 60.7 | -163.7 | 0 | 0 | 111.3 | V758 Y778 L779 R784 Q785 G809 | V758-E781 HydrophobicContact CG1-CB 4.35Å; V758-E781 HydrophobicContact CG1-CG 4.17Å; V758-E781 HydrophobicContact CG2-CB 4.19Å; V758-E781 HydrophobicContact CG2-CG 3.81Å; Y778-E781 WeakPolarHBondContact O-CB 3.42Å; Y778-E781 PolarHBondContact O-N 3.43Å; L779-E781 VanDerWaalsContact C-N 3.3Å; L779-E781 PolarHBondContact O-N 3.06Å; E781-R784 VanDerWaalsContact CD-NE 3.25Å; E781-R784 WeakPolarHBondContact O-CB 3.42Å; E781-R784 PolarHBondContact O-N 3.01Å; E781-R784 IonicContact OE1-CZ 3.9Å; E781-R784 IonicContact OE1-NE 2.76Å; E781-R784 PolarHBondContact OE1-NE 2.9Å; E781-R784 IonicContact OE1-NH2 3.81Å; E781-R784 PolarHBondContact OE1-NH2 2.8Å; E781-R784 IonicContact OE2-NE 3.26Å; E781-R784 PolarHBondContact OE2-NE 2.95Å; E781-Q785 WeakPolarHBondContact O-CG 3.15Å; E781-Q785 PolarHBondContact O-N 3.25Å; E781-G809 PolarHBondContact OE2-N 3.46Å |
| 782 | I | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 171.1 | -63.8 | 162.9 | 0 | 0 | 0 | 109.9 | F481 D755 V758 K772 Y778 L779 R784 Q785 V786 V855 | F481-I782 HydrophobicContact CE1-CG2 3.64Å; F481-I782 HydrophobicContact CZ-CG2 3.89Å; D755-I782 WeakPolarHBondContact OD1-CD1 2.99Å; V758-I782 HydrophobicContact CB-CG1 4.45Å; V758-I782 HydrophobicContact CG2-CG1 3.83Å; K772-I782 WeakPolarHBondContact O-CD1 3.33Å; Y778-I782 PolarHBondContact O-N 3.17Å; L779-I782 HydrophobicContact CD2-CD1 4.47Å; L779-I782 PolarHBondContact O-N 3.18Å; I782-R784 VanDerWaalsContact C-N 3.31Å; I782-R784 PolarHBondContact O-N 2.84Å; I782-Q785 PolarHBondContact O-N 2.7Å; I782-V786 WeakPolarHBondContact O-CG2 3.21Å; I782-V786 PolarHBondContact O-N 3.44Å; I782-V855 HydrophobicContact CB-CG1 4.17Å; I782-V855 HydrophobicContact CG2-CG1 4.02Å; I782-V855 HydrophobicContact CG2-CG2 3.82Å |
| 783 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -54.5 | -49.2 | 173.7 | 167.6 | 0 | 0 | 0 | 0 | 110.3 | L779 G780 Q785 V786 L787 F811 L816 V851 V855 | L779-V783 WeakPolarHBondContact O-CG2 3.17Å; L779-V783 PolarHBondContact O-N 3.33Å; G780-V783 PolarHBondContact O-N 3.42Å; V783-Q785 VanDerWaalsContact C-N 3.31Å; V783-Q785 PolarHBondContact O-N 3.33Å; V783-V786 PolarHBondContact O-N 3.38Å; V783-L787 HydrophobicContact CG1-CD1 3.91Å; V783-L787 HydrophobicContact CG1-CG 4.2Å; V783-L787 VanDerWaalsContact O-CG 3.3Å; V783-L787 WeakPolarHBondContact O-CG 3.47Å; V783-L787 PolarHBondContact O-N 3.1Å; V783-F811 HydrophobicContact CG1-CD1 4.45Å; V783-L816 HydrophobicContact CG2-CD2 4.1Å; V783-L816 HydrophobicContact CG2-CG 4.37Å; V783-V851 HydrophobicContact CB-CG1 4.43Å; V783-V851 HydrophobicContact CG1-CG1 4.08Å; V783-V851 HydrophobicContact CG2-CG1 4.36Å; V783-V855 HydrophobicContact CG2-CB 4.02Å; V783-V855 HydrophobicContact CG2-CG1 4.22Å; V783-V855 HydrophobicContact CG2-CG2 3.94Å |
| 784 | R | 97.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 5% | 0.045 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.4 | -42.3 | 178.9 | -166.9 | -170.8 | 72.3 | 83.1 | -0.1 | 112.4 | G780 E781 I782 L787 L788 L805 K806 T807 I810 F811 | G780-R784 WeakPolarHBondContact O-CB 3.26Å; G780-R784 PolarHBondContact O-N 3.08Å; E781-R784 VanDerWaalsContact CD-NE 3.25Å; E781-R784 WeakPolarHBondContact O-CB 3.42Å; E781-R784 PolarHBondContact O-N 3.01Å; E781-R784 IonicContact OE1-CZ 3.9Å; E781-R784 IonicContact OE1-NE 2.76Å; E781-R784 PolarHBondContact OE1-NE 2.9Å; E781-R784 IonicContact OE1-NH2 3.81Å; E781-R784 PolarHBondContact OE1-NH2 2.8Å; E781-R784 IonicContact OE2-NE 3.26Å; E781-R784 PolarHBondContact OE2-NE 2.95Å; I782-R784 VanDerWaalsContact C-N 3.31Å; I782-R784 PolarHBondContact O-N 2.84Å; R784-L787 PolarHBondContact O-N 3.43Å; R784-L788 WeakPolarHBondContact O-CB 3.15Å; R784-L788 WeakPolarHBondContact O-CG 3.37Å; R784-L788 PolarHBondContact O-N 2.82Å; R784-L805 WeakPolarHBondContact CD-O 3.32Å; R784-L805 HydrophobicContact CG-CD1 4.36Å; R784-L805 WeakPolarHBondContact CG-O 3.29Å; R784-L805 PolarHBondContact NH1-O 3.17Å; R784-K806 VanDerWaalsContact NH1-C 3.29Å; R784-K806 PolarHBondContact NH1-O 3.36Å; R784-T807 WeakPolarHBondContact CD-O 3.44Å; R784-I810 HydrophobicContact CG-CG2 4.22Å; R784-F811 HydrophobicContact CB-CD2 3.95Å; R784-F811 HydrophobicContact CG-CD2 4.07Å; R784-F811 HydrophobicContact CG-CE2 4.47Å |
| 785 | Q | 97.9 | Very high | 95.3 | Very high | 16 Ų | 16 | 24 Ų | 24 | 8% | 0.075 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 177.9 | -69.3 | -64.4 | -8.4 | 0 | 0 | 112.5 | Y754 E757 V758 E781 I782 V783 L788 D789 | Y754-Q785 HydrophobicContact CD1-CB 4.26Å; E757-Q785 HydrophobicContact CB-CG 4.48Å; E757-Q785 HydrophobicContact CG-CG 4.25Å; V758-Q785 HydrophobicContact CG2-CG 3.98Å; E781-Q785 WeakPolarHBondContact O-CG 3.15Å; E781-Q785 PolarHBondContact O-N 3.25Å; I782-Q785 PolarHBondContact O-N 2.7Å; V783-Q785 VanDerWaalsContact C-N 3.31Å; V783-Q785 PolarHBondContact O-N 3.33Å; Q785-L788 PolarHBondContact O-N 3.07Å; Q785-D789 PolarHBondContact O-N 3.21Å |
| 786 | V | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.9 | -46.2 | 174.1 | 179 | 0 | 0 | 0 | 0 | 110.6 | L478 F481 Y754 I782 V783 L788 D789 L790 V851 | L478-V786 HydrophobicContact CD2-CG1 4.49Å; F481-V786 HydrophobicContact CE2-CG2 3.71Å; F481-V786 HydrophobicContact CZ-CG2 3.56Å; Y754-V786 HydrophobicContact CD1-CG2 3.94Å; Y754-V786 HydrophobicContact CD2-CG2 3.71Å; Y754-V786 HydrophobicContact CE1-CG2 4.2Å; Y754-V786 HydrophobicContact CE2-CG2 3.94Å; Y754-V786 HydrophobicContact CG-CG2 3.69Å; I782-V786 WeakPolarHBondContact O-CG2 3.21Å; I782-V786 PolarHBondContact O-N 3.44Å; V783-V786 PolarHBondContact O-N 3.38Å; V786-L788 VanDerWaalsContact C-N 3.31Å; V786-L788 PolarHBondContact O-N 2.9Å; V786-D789 PolarHBondContact O-N 3Å; V786-L790 HydrophobicContact CG1-CD1 4.02Å; V786-L790 HydrophobicContact CG1-CG 4.27Å; V786-L790 WeakPolarHBondContact O-CG 3.37Å; V786-L790 PolarHBondContact O-N 3.11Å; V786-V851 HydrophobicContact CB-CG1 3.77Å; V786-V851 HydrophobicContact CG1-CB 4.45Å; V786-V851 HydrophobicContact CG1-CG1 3.68Å; V786-V851 HydrophobicContact CG1-CG2 3.85Å; V786-V851 HydrophobicContact CG2-CG1 4.41Å |
| 787 | L | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.6 | -38.2 | 178.1 | -64.1 | -177.7 | 0 | 0 | 0 | 112.2 | V783 R784 T791 L796 L805 F811 V848 V851 | V783-L787 HydrophobicContact CG1-CD1 3.91Å; V783-L787 HydrophobicContact CG1-CG 4.2Å; V783-L787 VanDerWaalsContact O-CG 3.3Å; V783-L787 WeakPolarHBondContact O-CG 3.47Å; V783-L787 PolarHBondContact O-N 3.1Å; R784-L787 PolarHBondContact O-N 3.43Å; L787-T791 VanDerWaalsContact O-CB 3.28Å; L787-T791 WeakPolarHBondContact O-CB 3.37Å; L787-T791 PolarHBondContact O-N 2.82Å; L787-T791 PolarHBondContact O-OG1 2.88Å; L787-L796 HydrophobicContact CD2-CD1 3.69Å; L787-L805 HydrophobicContact CB-CD1 4.05Å; L787-F811 HydrophobicContact CD1-CE1 4.08Å; L787-F811 HydrophobicContact CD1-CE2 3.72Å; L787-F811 HydrophobicContact CD1-CZ 3.41Å; L787-F811 VanDerWaalsContact CD1-CZ 3.41Å; L787-V848 HydrophobicContact CD1-CG1 4.21Å; L787-V848 HydrophobicContact CD1-CG2 4.11Å; L787-V848 HydrophobicContact CD2-CB 4.32Å; L787-V848 HydrophobicContact CD2-CG2 3.65Å; L787-V851 HydrophobicContact CD2-CB 4.29Å; L787-V851 HydrophobicContact CD2-CG1 4.27Å; L787-V851 HydrophobicContact CD2-CG2 4.04Å |
| 788 | L | 96.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 172.8 | -85.3 | 176.2 | 0 | 0 | 0 | 112.2 | R784 Q785 V786 T791 R792 V801 L805 K806 | R784-L788 WeakPolarHBondContact O-CB 3.15Å; R784-L788 WeakPolarHBondContact O-CG 3.37Å; R784-L788 PolarHBondContact O-N 2.82Å; Q785-L788 PolarHBondContact O-N 3.07Å; V786-L788 VanDerWaalsContact C-N 3.31Å; V786-L788 PolarHBondContact O-N 2.9Å; L788-T791 PolarHBondContact O-N 3.37Å; L788-R792 WeakPolarHBondContact O-CB 3.09Å; L788-R792 VanDerWaalsContact O-CG 3.29Å; L788-R792 WeakPolarHBondContact O-CG 3.41Å; L788-R792 PolarHBondContact O-N 2.89Å; L788-V801 HydrophobicContact CD2-CG1 3.58Å; L788-L805 HydrophobicContact CD2-CB 4.33Å; L788-L805 HydrophobicContact CD2-CD2 3.89Å; L788-L805 HydrophobicContact CD2-CG 3.65Å; L788-L805 HydrophobicContact CG-CD2 4.38Å; L788-L805 HydrophobicContact CG-CG 3.98Å; L788-K806 HydrophobicContact CD2-CG 4.49Å |
| 789 | D | 97.3 | Very high | 94.5 | Very high | 43 Ų | 43 | 29.9 Ų | 29.9 | 23% | 0.23 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.8 | -50.3 | 177.8 | 177.3 | 55.7 | 0 | 0 | 0 | 111.9 | Y754 Q785 V786 T791 R792 R793 | Y754-D789 HydrophobicContact CE1-CB 3.69Å; Y754-D789 PolarHBondContact OH-OD2 3.46Å; Q785-D789 PolarHBondContact O-N 3.21Å; V786-D789 PolarHBondContact O-N 3Å; D789-T791 VanDerWaalsContact C-N 3.26Å; D789-T791 PolarHBondContact O-N 3.4Å; D789-R792 PolarHBondContact O-N 3.2Å; D789-R792 VanDerWaalsContact O-N 3.13Å; D789-R793 WeakPolarHBondContact O-CB 3.35Å; D789-R793 VanDerWaalsContact O-CG 3.31Å; D789-R793 WeakPolarHBondContact O-CG 3.43Å; D789-R793 PolarHBondContact O-N 3.22Å; D789-R793 WeakPolarHBondContact OD1-CD 3.19Å; D789-R793 WeakPolarHBondContact OD2-CD 3.38Å; D789-R793 IonicContact OD2-NH1 2.77Å; D789-R793 PolarHBondContact OD2-NH1 2.66Å; D789-R793 VanDerWaalsContact OD2-NH1 3.12Å |
| 790 | L | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -39.1 | 178.4 | -66.1 | -179.4 | 0 | 0 | 0 | 111.6 | V474 A477 V786 R793 G794 L795 L796 I847 V851 | V474-L790 HydrophobicContact CG2-CD2 4.36Å; A477-L790 HydrophobicContact CB-CD2 3.96Å; V786-L790 HydrophobicContact CG1-CD1 4.02Å; V786-L790 HydrophobicContact CG1-CG 4.27Å; V786-L790 WeakPolarHBondContact O-CG 3.37Å; V786-L790 PolarHBondContact O-N 3.11Å; L790-R793 PolarHBondContact O-N 3.36Å; L790-G794 PolarHBondContact O-N 3.46Å; L790-L795 HydrophobicContact CB-CB 4.4Å; L790-L795 HydrophobicContact CD2-CD1 3.83Å; L790-L795 WeakPolarHBondContact O-CB 3.34Å; L790-L795 PolarHBondContact O-N 3.47Å; L790-L796 HydrophobicContact CB-CB 4.11Å; L790-L796 HydrophobicContact CB-CD1 4.08Å; L790-L796 HydrophobicContact CD1-CD1 4.02Å; L790-L796 PolarHBondContact O-N 3.38Å; L790-I847 HydrophobicContact CD1-CG2 3.84Å; L790-V851 HydrophobicContact CD1-CG2 3.93Å |
| 791 | T | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -49 | 173.9 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | L787 L788 D789 R793 G794 F797 G799 H800 V801 L805 | L787-T791 VanDerWaalsContact O-CB 3.28Å; L787-T791 WeakPolarHBondContact O-CB 3.37Å; L787-T791 PolarHBondContact O-N 2.82Å; L787-T791 PolarHBondContact O-OG1 2.88Å; L788-T791 PolarHBondContact O-N 3.37Å; D789-T791 VanDerWaalsContact C-N 3.26Å; D789-T791 PolarHBondContact O-N 3.4Å; T791-R793 PolarHBondContact O-N 3.33Å; T791-R793 VanDerWaalsContact O-N 3.16Å; T791-G794 PolarHBondContact O-N 3.26Å; T791-F797 HydrophobicContact CG2-CB 4.26Å; T791-F797 HydrophobicContact CG2-CD2 4.38Å; T791-F797 WeakPolarHBondContact OG1-CD2 3.39Å; T791-G799 VanDerWaalsContact O-CA 3.24Å; T791-G799 WeakPolarHBondContact O-CA 3.29Å; T791-H800 VanDerWaalsContact CG2-C 3.49Å; T791-V801 HydrophobicContact CG2-CB 4.42Å; T791-V801 HydrophobicContact CG2-CG2 3.67Å; T791-L805 HydrophobicContact CG2-CD2 4.4Å |
| 792 | R | 95 | Very high | 93.9 | Very high | 163 Ų | 163 | 39.1 Ų | 39.1 | 62% | 0.615 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -58.6 | -31.5 | 177.5 | -74.1 | 171.4 | -177.1 | 145.2 | -1.5 | 112.9 | L788 D789 G794 V801 | L788-R792 WeakPolarHBondContact O-CB 3.09Å; L788-R792 VanDerWaalsContact O-CG 3.29Å; L788-R792 WeakPolarHBondContact O-CG 3.41Å; L788-R792 PolarHBondContact O-N 2.89Å; D789-R792 PolarHBondContact O-N 3.2Å; D789-R792 VanDerWaalsContact O-N 3.13Å; R792-G794 PolarHBondContact O-N 3.33Å; R792-V801 HydrophobicContact CG-CG2 3.89Å |
| 793 | R | 91.7 | Very high | 93.6 | Very high | 93 Ų | 93 | 45.1 Ų | 45.1 | 35% | 0.351 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 0.9 | 176.5 | -67.6 | 166.1 | 64.9 | -166.9 | -1.1 | 113.8 | K473 D789 L790 T791 L795 | K473-R793 PolarHBondContact O-NH2 3Å; K473-R793 VanDerWaalsContact O-NH2 3.09Å; D789-R793 WeakPolarHBondContact O-CB 3.35Å; D789-R793 VanDerWaalsContact O-CG 3.31Å; D789-R793 WeakPolarHBondContact O-CG 3.43Å; D789-R793 PolarHBondContact O-N 3.22Å; D789-R793 WeakPolarHBondContact OD1-CD 3.19Å; D789-R793 WeakPolarHBondContact OD2-CD 3.38Å; D789-R793 IonicContact OD2-NH1 2.77Å; D789-R793 PolarHBondContact OD2-NH1 2.66Å; D789-R793 VanDerWaalsContact OD2-NH1 3.12Å; L790-R793 PolarHBondContact O-N 3.36Å; T791-R793 PolarHBondContact O-N 3.33Å; T791-R793 VanDerWaalsContact O-N 3.16Å; R793-L795 VanDerWaalsContact C-N 3.28Å; R793-L795 HydrophobicContact CB-CD1 4Å; R793-L795 HydrophobicContact CB-CG 4.08Å; R793-L795 PolarHBondContact O-N 3.48Å |
| 794 | G | 89.6 | Confident | 93.3 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 37% | 0.371 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 16.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L790 T791 R792 | L790-G794 PolarHBondContact O-N 3.46Å; T791-G794 PolarHBondContact O-N 3.26Å; R792-G794 PolarHBondContact O-N 3.33Å |
| 795 | L | 90.6 | Very high | 93.2 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 9% | 0.089 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -93.1 | -12.3 | -177.1 | -58.9 | 172.2 | 0 | 0 | 0 | 112.9 | Q470 K473 V474 L790 R793 | Q470-L795 HydrophobicContact CB-CD2 3.8Å; Q470-L795 HydrophobicContact CG-CD2 3.78Å; K473-L795 HydrophobicContact CB-CD1 3.69Å; K473-L795 HydrophobicContact CB-CD2 4.23Å; K473-L795 HydrophobicContact CD-CD1 4.48Å; K473-L795 HydrophobicContact CD-CD2 4.17Å; V474-L795 HydrophobicContact CG2-CB 4.19Å; V474-L795 HydrophobicContact CG2-CD1 4.16Å; L790-L795 HydrophobicContact CB-CB 4.4Å; L790-L795 HydrophobicContact CD2-CD1 3.83Å; L790-L795 WeakPolarHBondContact O-CB 3.34Å; L790-L795 PolarHBondContact O-N 3.47Å; R793-L795 VanDerWaalsContact C-N 3.28Å; R793-L795 HydrophobicContact CB-CD1 4Å; R793-L795 HydrophobicContact CB-CG 4.08Å; R793-L795 PolarHBondContact O-N 3.48Å |
| 796 | L | 91.8 | Very high | 93 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -143.8 | 146.5 | -175.6 | -134.9 | 155.9 | 0 | 0 | 0 | 109.5 | L787 L790 K798 G799 D844 I847 V848 | L787-L796 HydrophobicContact CD2-CD1 3.69Å; L790-L796 HydrophobicContact CB-CB 4.11Å; L790-L796 HydrophobicContact CB-CD1 4.08Å; L790-L796 HydrophobicContact CD1-CD1 4.02Å; L790-L796 PolarHBondContact O-N 3.38Å; L796-K798 PolarHBondContact O-N 3.1Å; L796-G799 PolarHBondContact O-N 3.39Å; L796-D844 WeakPolarHBondContact CA-OD1 3.29Å; L796-D844 HydrophobicContact CD2-CB 3.81Å; L796-D844 HydrophobicContact CG-CB 4.43Å; L796-I847 HydrophobicContact CD1-CB 4.14Å; L796-I847 HydrophobicContact CD1-CG2 3.54Å; L796-I847 HydrophobicContact CG-CG2 4.44Å; L796-V848 HydrophobicContact CD1-CG2 4.37Å; L796-V848 HydrophobicContact CD2-CG2 4.22Å |
| 797 | F | 90.5 | Very high | 92.7 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | 51.8 | 34.3 | 175.7 | -51.5 | -47.8 | 0 | 0 | 0 | 113.8 | T791 G799 H800 L805 L838 D844 V848 | T791-F797 HydrophobicContact CG2-CB 4.26Å; T791-F797 HydrophobicContact CG2-CD2 4.38Å; T791-F797 WeakPolarHBondContact OG1-CD2 3.39Å; F797-G799 PolarHBondContact O-N 3.26Å; F797-G799 VanDerWaalsContact O-N 3.09Å; F797-H800 WeakPolarHBondContact O-CB 3.35Å; F797-H800 PolarHBondContact O-N 2.87Å; F797-L805 HydrophobicContact CD2-CD2 4.14Å; F797-L805 HydrophobicContact CE2-CD2 4.19Å; F797-L838 HydrophobicContact CE1-CB 4.32Å; F797-L838 HydrophobicContact CE2-CD1 4.41Å; F797-L838 HydrophobicContact CZ-CB 4.08Å; F797-L838 HydrophobicContact CZ-CD1 4.22Å; F797-D844 HydrophobicContact CD1-CB 4.1Å; F797-D844 HydrophobicContact CE1-CB 3.98Å; F797-D844 PolarHBondContact N-OD1 3.48Å; F797-V848 HydrophobicContact CZ-CG2 4.18Å |
| 798 | K | 84.7 | Confident | 92.5 | Very high | 171 Ų | 171 | 58.4 Ų | 58.4 | 74% | 0.743 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | 54.8 | 24.9 | -176.8 | -54.9 | -179 | 177.4 | -177.3 | 0 | 114.5 | L796 H800 | L796-K798 PolarHBondContact O-N 3.1Å; K798-H800 VanDerWaalsContact C-N 3.29Å; K798-H800 PolarHBondContact O-N 3.34Å |
| 799 | G | 88.7 | Confident | 92 | Very high | 29 Ų | 29 | 60.4 Ų | 60.4 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | 82.3 | 2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T791 L796 F797 V801 | T791-G799 VanDerWaalsContact O-CA 3.24Å; T791-G799 WeakPolarHBondContact O-CA 3.29Å; L796-G799 PolarHBondContact O-N 3.39Å; F797-G799 PolarHBondContact O-N 3.26Å; F797-G799 VanDerWaalsContact O-N 3.09Å; G799-V801 PolarHBondContact O-N 2.86Å |
| 800 | H | 90.5 | Very high | 91.7 | Very high | 132 Ų | 132 | 60.2 Ų | 60.2 | 61% | 0.611 | 32% | 0.319 | S | S | * | . | trans | -91.8 | 102.3 | -174.2 | -63 | -30.7 | 0 | 0 | 0 | 111.9 | T791 F797 K798 T802 | T791-H800 VanDerWaalsContact CG2-C 3.49Å; F797-H800 WeakPolarHBondContact O-CB 3.35Å; F797-H800 PolarHBondContact O-N 2.87Å; K798-H800 VanDerWaalsContact C-N 3.29Å; K798-H800 PolarHBondContact O-N 3.34Å; H800-T802 PolarHBondContact O-N 3.27Å | ||
| 801 | V | 93 | Very high | 91.3 | Very high | 43 Ų | 43 | 60.4 Ų | 60.4 | 26% | 0.261 | 32% | 0.32 | S | S | . | . | trans | -76.2 | 107.9 | 173 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | L788 T791 R792 G799 K806 | L788-V801 HydrophobicContact CD2-CG1 3.58Å; T791-V801 HydrophobicContact CG2-CB 4.42Å; T791-V801 HydrophobicContact CG2-CG2 3.67Å; R792-V801 HydrophobicContact CG-CG2 3.89Å; G799-V801 PolarHBondContact O-N 2.86Å; V801-K806 HydrophobicContact CG1-CD 4.34Å; V801-K806 HydrophobicContact CG1-CG 3.77Å | ||
| 802 | T | 92.1 | Very high | 91 | Very high | 46 Ų | 46 | 64.9 Ų | 64.9 | 28% | 0.282 | 34% | 0.341 | S | S | . | . | trans | -78.2 | 157.5 | 176.3 | 64.7 | 0 | 0 | 0 | 0 | 111.9 | H800 T804 L805 K806 L838 | H800-T802 PolarHBondContact O-N 3.27Å; T802-T804 PolarHBondContact O-N 2.89Å; T802-L805 PolarHBondContact O-N 3.35Å; T802-L805 PolarHBondContact OG1-N 3.18Å; T802-L805 VanDerWaalsContact OG1-N 3.15Å; T802-K806 WeakPolarHBondContact O-CG 3.39Å; T802-K806 PolarHBondContact O-N 2.92Å; T802-L838 WeakPolarHBondContact OG1-CD2 3.29Å | ||
| 803 | E | 92.6 | Very high | 90.4 | Very high | 128 Ų | 128 | 58.7 Ų | 58.7 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.7 | -34.1 | 172.4 | -69.1 | -52.4 | 123.9 | 0 | 0 | 111.9 | L805 K806 T807 | E803-L805 PolarHBondContact O-N 3.09Å; E803-K806 WeakPolarHBondContact O-CB 3.3Å; E803-K806 PolarHBondContact O-N 3.38Å; E803-K806 VanDerWaalsContact O-N 3.17Å; E803-K806 IonicContact OE1-NZ 2.94Å; E803-K806 PolarHBondContact OE1-NZ 3.38Å; E803-T807 PolarHBondContact O-N 2.95Å; E803-T807 VanDerWaalsContact O-N 3.16Å; E803-T807 PolarHBondContact O-OG1 3.07Å |
| 804 | T | 91.9 | Very high | 90.2 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 176.2 | -43.8 | 0 | 0 | 0 | 0 | 112.1 | T802 K806 T807 I810 L836 | T802-T804 PolarHBondContact O-N 2.89Å; T804-K806 PolarHBondContact O-N 3.49Å; T804-T807 VanDerWaalsContact O-CB 3.32Å; T804-T807 WeakPolarHBondContact O-CB 3.48Å; T804-T807 PolarHBondContact O-N 3.34Å; T804-T807 VanDerWaalsContact O-N 3.09Å; T804-I810 HydrophobicContact CG2-CD1 3.82Å; T804-I810 HydrophobicContact CG2-CG1 3.78Å; T804-L836 WeakPolarHBondContact CG2-O 3.49Å |
| 805 | L | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.9 | -28.5 | 176.3 | -170.2 | 60.2 | 0 | 0 | 0 | 112.2 | R784 L787 L788 T791 F797 T802 E803 T807 F811 L838 | R784-L805 WeakPolarHBondContact CD-O 3.32Å; R784-L805 HydrophobicContact CG-CD1 4.36Å; R784-L805 WeakPolarHBondContact CG-O 3.29Å; R784-L805 PolarHBondContact NH1-O 3.17Å; L787-L805 HydrophobicContact CB-CD1 4.05Å; L788-L805 HydrophobicContact CD2-CB 4.33Å; L788-L805 HydrophobicContact CD2-CD2 3.89Å; L788-L805 HydrophobicContact CD2-CG 3.65Å; L788-L805 HydrophobicContact CG-CD2 4.38Å; L788-L805 HydrophobicContact CG-CG 3.98Å; T791-L805 HydrophobicContact CG2-CD2 4.4Å; F797-L805 HydrophobicContact CD2-CD2 4.14Å; F797-L805 HydrophobicContact CE2-CD2 4.19Å; T802-L805 PolarHBondContact O-N 3.35Å; T802-L805 PolarHBondContact OG1-N 3.18Å; T802-L805 VanDerWaalsContact OG1-N 3.15Å; E803-L805 PolarHBondContact O-N 3.09Å; L805-T807 VanDerWaalsContact C-N 3.31Å; L805-F811 HydrophobicContact CD1-CE2 4.08Å; L805-L838 HydrophobicContact CB-CD2 3.89Å; L805-L838 HydrophobicContact CD1-CD1 4.3Å; L805-L838 HydrophobicContact CD1-CD2 4.34Å |
| 806 | K | 94 | Very high | 90.2 | Very high | 96 Ų | 96 | 57.8 Ų | 57.8 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74.1 | -20.3 | 174.4 | -64.5 | 175.5 | -169.7 | 169.5 | 0 | 113.3 | R784 L788 V801 T802 E803 T804 P808 | R784-K806 VanDerWaalsContact NH1-C 3.29Å; R784-K806 PolarHBondContact NH1-O 3.36Å; L788-K806 HydrophobicContact CD2-CG 4.49Å; V801-K806 HydrophobicContact CG1-CD 4.34Å; V801-K806 HydrophobicContact CG1-CG 3.77Å; T802-K806 WeakPolarHBondContact O-CG 3.39Å; T802-K806 PolarHBondContact O-N 2.92Å; E803-K806 WeakPolarHBondContact O-CB 3.3Å; E803-K806 PolarHBondContact O-N 3.38Å; E803-K806 VanDerWaalsContact O-N 3.17Å; E803-K806 IonicContact OE1-NZ 2.94Å; E803-K806 PolarHBondContact OE1-NZ 3.38Å; T804-K806 PolarHBondContact O-N 3.49Å; K806-P808 VanDerWaalsContact O-CD 3.29Å; K806-P808 WeakPolarHBondContact O-CD 3.27Å |
| 807 | T | 93.1 | Very high | 90.1 | Very high | 68 Ų | 68 | 58.4 Ų | 58.4 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -73 | 116.1 | -175.2 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | R784 E803 T804 L805 I810 | R784-T807 WeakPolarHBondContact CD-O 3.44Å; E803-T807 PolarHBondContact O-N 2.95Å; E803-T807 VanDerWaalsContact O-N 3.16Å; E803-T807 PolarHBondContact O-OG1 3.07Å; T804-T807 VanDerWaalsContact O-CB 3.32Å; T804-T807 WeakPolarHBondContact O-CB 3.48Å; T804-T807 PolarHBondContact O-N 3.34Å; T804-T807 VanDerWaalsContact O-N 3.09Å; L805-T807 VanDerWaalsContact C-N 3.31Å; T807-I810 WeakPolarHBondContact O-CB 3.42Å; T807-I810 WeakPolarHBondContact O-CG2 3.47Å |
| 808 | P | 91.3 | Very high | 90.2 | Very high | 94 Ų | 94 | 61.6 Ų | 61.6 | 61% | 0.61 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 144.5 | 176.6 | -23.3 | 35.1 | 0 | 0 | 0 | 112.3 | K806 I810 | K806-P808 VanDerWaalsContact O-CD 3.29Å; K806-P808 WeakPolarHBondContact O-CD 3.27Å; P808-I810 PolarHBondContact O-N 3.35Å |
| 809 | G | 87.7 | Confident | 90.5 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 47% | 0.474 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 2.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | E781 F811 | E781-G809 PolarHBondContact OE2-N 3.46Å; G809-F811 PolarHBondContact O-N 3.41Å |
| 810 | I | 90.5 | Very high | 90.6 | Very high | 40 Ų | 40 | 52.6 Ų | 52.6 | 21% | 0.205 | 28% | 0.28 | C | S | . | . | trans | -60.8 | -30.5 | 178.3 | -168.8 | 62.3 | 0 | 0 | 0 | 112.9 | R784 T804 T807 P808 E812 L836 | R784-I810 HydrophobicContact CG-CG2 4.22Å; T804-I810 HydrophobicContact CG2-CD1 3.82Å; T804-I810 HydrophobicContact CG2-CG1 3.78Å; T807-I810 WeakPolarHBondContact O-CB 3.42Å; T807-I810 WeakPolarHBondContact O-CG2 3.47Å; P808-I810 PolarHBondContact O-N 3.35Å; I810-E812 PolarHBondContact O-N 2.91Å; I810-L836 HydrophobicContact CD1-CD2 4.25Å; I810-L836 HydrophobicContact CG1-CD2 4.25Å | ||
| 811 | F | 88.8 | Confident | 90.6 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -92.4 | 81 | 174.3 | -78 | -83.7 | 0 | 0 | 0 | 110.3 | G780 V783 R784 L787 L805 G809 L816 L833 L836 L838 | G780-F811 WeakPolarHBondContact CA-O 3.45Å; G780-F811 WeakPolarHBondContact O-CB 3.31Å; V783-F811 HydrophobicContact CG1-CD1 4.45Å; R784-F811 HydrophobicContact CB-CD2 3.95Å; R784-F811 HydrophobicContact CG-CD2 4.07Å; R784-F811 HydrophobicContact CG-CE2 4.47Å; L787-F811 HydrophobicContact CD1-CE1 4.08Å; L787-F811 HydrophobicContact CD1-CE2 3.72Å; L787-F811 HydrophobicContact CD1-CZ 3.41Å; L787-F811 VanDerWaalsContact CD1-CZ 3.41Å; L805-F811 HydrophobicContact CD1-CE2 4.08Å; G809-F811 PolarHBondContact O-N 3.41Å; F811-L816 HydrophobicContact CB-CD1 4.25Å; F811-L833 HydrophobicContact CE1-CD2 4.38Å; F811-L833 HydrophobicContact CZ-CD2 4.42Å; F811-L836 HydrophobicContact CD1-CD1 4.15Å; F811-L836 HydrophobicContact CE1-CD1 3.82Å; F811-L836 HydrophobicContact CZ-CD1 4.27Å; F811-L838 HydrophobicContact CE2-CD1 3.86Å; F811-L838 HydrophobicContact CZ-CD1 3.46Å; F811-L838 VanDerWaalsContact CZ-CD1 3.46Å |
| 812 | E | 88.6 | Confident | 89.9 | Confident | 94 Ų | 94 | 51.5 Ų | 51.5 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | trans | -64.4 | 152.8 | 170 | -66.2 | 172.8 | -118.9 | 0 | 0 | 111.9 | I810 K814 Y815 L816 | I810-E812 PolarHBondContact O-N 2.91Å; E812-K814 HydrophobicContact CB-CD 4.41Å; E812-K814 HydrophobicContact CB-CG 4.05Å; E812-K814 PolarHBondContact O-N 3.24Å; E812-K814 IonicContact OE1-NZ 3.77Å; E812-K814 PolarHBondContact OE1-NZ 3.05Å; E812-K814 WeakPolarHBondContact OE2-CD 3.37Å; E812-K814 VanDerWaalsContact OE2-CE 3.29Å; E812-K814 WeakPolarHBondContact OE2-CE 3.35Å; E812-K814 IonicContact OE2-NZ 3.06Å; E812-K814 PolarHBondContact OE2-NZ 3.4Å; E812-Y815 HydrophobicContact CB-CD2 3.98Å; E812-Y815 HydrophobicContact CB-CE2 4.22Å; E812-Y815 HydrophobicContact CG-CE2 4.49Å; E812-Y815 WeakPolarHBondContact O-CB 3.48Å; E812-Y815 PolarHBondContact O-N 3.32Å; E812-L816 WeakPolarHBondContact O-CD1 3.49Å | ||
| 813 | T | 83.3 | Confident | 89.1 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 20% | 0.202 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -53.8 | -28.8 | 178.2 | -35 | 0 | 0 | 0 | 0 | 113.6 | G776 Y815 L816 S817 L893 | G776-T813 WeakPolarHBondContact CA-OG1 3.39Å; G776-T813 PolarHBondContact O-OG1 2.94Å; T813-Y815 VanDerWaalsContact C-N 3.28Å; T813-Y815 PolarHBondContact O-N 2.99Å; T813-L816 PolarHBondContact O-N 3.47Å; T813-S817 PolarHBondContact O-N 3.38Å; T813-S817 PolarHBondContact O-OG 2.9Å; T813-L893 HydrophobicContact CG2-CB 4.35Å; T813-L893 HydrophobicContact CG2-CD1 3.68Å |
| 814 | K | 87.3 | Confident | 88.1 | Confident | 88 Ų | 88 | 56.4 Ų | 56.4 | 38% | 0.383 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 176.1 | 77.3 | -170.9 | 179.8 | -150.4 | 0 | 111.7 | E812 S817 Q818 | E812-K814 HydrophobicContact CB-CD 4.41Å; E812-K814 HydrophobicContact CB-CG 4.05Å; E812-K814 PolarHBondContact O-N 3.24Å; E812-K814 IonicContact OE1-NZ 3.77Å; E812-K814 PolarHBondContact OE1-NZ 3.05Å; E812-K814 WeakPolarHBondContact OE2-CD 3.37Å; E812-K814 VanDerWaalsContact OE2-CE 3.29Å; E812-K814 WeakPolarHBondContact OE2-CE 3.35Å; E812-K814 IonicContact OE2-NZ 3.06Å; E812-K814 PolarHBondContact OE2-NZ 3.4Å; K814-S817 PolarHBondContact O-N 3.49Å; K814-Q818 VanDerWaalsContact O-CG 3.26Å; K814-Q818 WeakPolarHBondContact O-CG 3.47Å; K814-Q818 PolarHBondContact O-N 3.05Å |
| 815 | Y | 89.9 | Confident | 87 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.7 | -38.1 | 179.9 | -63.4 | -57.5 | 0 | 0 | 0 | 111 | E812 T813 S817 Q818 I819 I832 L836 | E812-Y815 HydrophobicContact CB-CD2 3.98Å; E812-Y815 HydrophobicContact CB-CE2 4.22Å; E812-Y815 HydrophobicContact CG-CE2 4.49Å; E812-Y815 WeakPolarHBondContact O-CB 3.48Å; E812-Y815 PolarHBondContact O-N 3.32Å; T813-Y815 VanDerWaalsContact C-N 3.28Å; T813-Y815 PolarHBondContact O-N 2.99Å; Y815-S817 VanDerWaalsContact C-N 3.32Å; Y815-S817 PolarHBondContact O-N 3.29Å; Y815-Q818 PolarHBondContact O-N 2.99Å; Y815-I819 VanDerWaalsContact O-CB 3.32Å; Y815-I819 WeakPolarHBondContact O-CB 3.23Å; Y815-I819 WeakPolarHBondContact O-CD1 3.12Å; Y815-I819 WeakPolarHBondContact O-CG1 3.39Å; Y815-I819 PolarHBondContact O-N 2.92Å; Y815-I832 HydrophobicContact CD1-CG2 3.69Å; Y815-I832 HydrophobicContact CE1-CG2 4.3Å; Y815-I832 HydrophobicContact CG-CG2 4.37Å; Y815-L836 HydrophobicContact CD2-CD1 4.34Å; Y815-L836 HydrophobicContact CD2-CD2 4.11Å; Y815-L836 HydrophobicContact CE1-CD2 4.35Å; Y815-L836 HydrophobicContact CE2-CD2 3.6Å; Y815-L836 HydrophobicContact CG-CD1 4.37Å |
| 816 | L | 89.9 | Confident | 86 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.7 | -48.7 | 173.4 | -80 | 65.8 | 0 | 0 | 0 | 110.2 | L779 V783 F811 E812 T813 Q818 I819 E820 | L779-L816 HydrophobicContact CB-CD2 3.76Å; V783-L816 HydrophobicContact CG2-CD2 4.1Å; V783-L816 HydrophobicContact CG2-CG 4.37Å; F811-L816 HydrophobicContact CB-CD1 4.25Å; E812-L816 WeakPolarHBondContact O-CD1 3.49Å; T813-L816 PolarHBondContact O-N 3.47Å; L816-Q818 VanDerWaalsContact C-N 3.31Å; L816-Q818 PolarHBondContact O-N 3.4Å; L816-I819 PolarHBondContact O-N 2.92Å; L816-E820 WeakPolarHBondContact O-CB 3.38Å; L816-E820 PolarHBondContact O-N 2.94Å |
| 817 | S | 90.3 | Very high | 84.8 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 179.3 | -53.2 | 0 | 0 | 0 | 0 | 112.6 | T813 K814 Y815 S821 | T813-S817 PolarHBondContact O-N 3.38Å; T813-S817 PolarHBondContact O-OG 2.9Å; K814-S817 PolarHBondContact O-N 3.49Å; Y815-S817 VanDerWaalsContact C-N 3.32Å; Y815-S817 PolarHBondContact O-N 3.29Å; S817-S821 PolarHBondContact O-N 2.77Å |
| 818 | Q | 91 | Very high | 84.1 | Confident | 82 Ų | 82 | 61.5 Ų | 61.5 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.4 | -52.1 | 175.2 | -72.7 | 171.4 | -0.8 | 0 | 0 | 111.2 | K814 Y815 L816 E820 S821 L824 I832 | K814-Q818 VanDerWaalsContact O-CG 3.26Å; K814-Q818 WeakPolarHBondContact O-CG 3.47Å; K814-Q818 PolarHBondContact O-N 3.05Å; Y815-Q818 PolarHBondContact O-N 2.99Å; L816-Q818 VanDerWaalsContact C-N 3.31Å; L816-Q818 PolarHBondContact O-N 3.4Å; Q818-E820 PolarHBondContact O-N 3.43Å; Q818-S821 VanDerWaalsContact O-CB 3.27Å; Q818-S821 WeakPolarHBondContact O-CB 3.45Å; Q818-S821 PolarHBondContact O-N 3.42Å; Q818-L824 HydrophobicContact CB-CD1 4.35Å; Q818-L824 WeakPolarHBondContact O-CD1 3.49Å; Q818-I832 HydrophobicContact CB-CD1 3.77Å |
| 819 | I | 91.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.3 | -38.4 | -177.6 | -70.8 | 165.9 | 0 | 0 | 0 | 111.5 | Y815 L816 V829 I832 V848 K849 C852 | Y815-I819 VanDerWaalsContact O-CB 3.32Å; Y815-I819 WeakPolarHBondContact O-CB 3.23Å; Y815-I819 WeakPolarHBondContact O-CD1 3.12Å; Y815-I819 WeakPolarHBondContact O-CG1 3.39Å; Y815-I819 PolarHBondContact O-N 2.92Å; L816-I819 PolarHBondContact O-N 2.92Å; I819-V829 HydrophobicContact CG1-CG1 4.33Å; I819-V829 HydrophobicContact CG2-CG1 4.08Å; I819-I832 HydrophobicContact CD1-CG2 4.44Å; I819-I832 HydrophobicContact CG1-CD1 4.27Å; I819-I832 HydrophobicContact CG1-CG2 4.38Å; I819-V848 HydrophobicContact CD1-CG1 4.29Å; I819-K849 HydrophobicContact CG2-CB 3.93Å; I819-K849 HydrophobicContact CG2-CG 4.08Å; I819-K849 WeakPolarHBondContact O-CE 3.48Å; I819-C852 HydrophobicContact CG2-CB 4.37Å |
| 820 | E | 92.2 | Very high | 83.5 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -3.9 | -178.8 | -70.7 | -167.3 | -127.9 | 0 | 0 | 115.2 | L816 Q818 D822 C852 G853 S856 H897 P898 H899 | L816-E820 WeakPolarHBondContact O-CB 3.38Å; L816-E820 PolarHBondContact O-N 2.94Å; Q818-E820 PolarHBondContact O-N 3.43Å; E820-D822 PolarHBondContact O-N 3.09Å; E820-C852 HydrophobicContact CG-CB 3.84Å; E820-C852 WeakPolarHBondContact OE1-CB 3.46Å; E820-C852 VanDerWaalsContact OE1-O 3.05Å; E820-G853 PolarHBondContact OE1-N 2.82Å; E820-G853 WeakPolarHBondContact OE2-CA 3.35Å; E820-S856 VanDerWaalsContact CD-OG 3.23Å; E820-S856 VanDerWaalsContact OE1-CB 3.27Å; E820-S856 WeakPolarHBondContact OE1-CB 3.4Å; E820-S856 PolarHBondContact OE1-OG 3.31Å; E820-S856 PolarHBondContact OE2-OG 2.58Å; E820-H897 VanDerWaalsContact CD-CE1 3.5Å; E820-H897 IonicContact OE1-CE1 3.76Å; E820-H897 IonicContact OE1-NE2 3.98Å; E820-H897 PolarHBondContact OE1-NE2 2.91Å; E820-H897 VanDerWaalsContact OE1-NE2 3.13Å; E820-H897 IonicContact OE2-CE1 3.77Å; E820-H897 PolarHBondContact OE2-CE1 3.23Å; E820-H897 VanDerWaalsContact OE2-CE1 3.3Å; E820-H897 IonicContact OE2-NE2 2.98Å; E820-P898 HydrophobicContact CB-CG 3.86Å; E820-H899 PolarHBondContact O-NE2 3.09Å; E820-H899 IonicContact OE2-CD2 2.64Å |
| 821 | S | 89.1 | Confident | 83.2 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 22% | 0.217 | 29% | 0.293 | C | S | . | . | trans | -63.1 | 132.2 | -178.6 | 173 | 0 | 0 | 0 | 0 | 112 | S817 Q818 R823 L824 | S817-S821 PolarHBondContact O-N 2.77Å; Q818-S821 VanDerWaalsContact O-CB 3.27Å; Q818-S821 WeakPolarHBondContact O-CB 3.45Å; Q818-S821 PolarHBondContact O-N 3.42Å; S821-R823 PolarHBondContact O-N 2.86Å; S821-R823 PolarHBondContact OG-N 2.75Å; S821-L824 WeakPolarHBondContact O-CB 3.27Å; S821-L824 PolarHBondContact O-N 3.44Å | ||
| 822 | D | 79.8 | Confident | 83.2 | Confident | 121 Ų | 121 | 60 Ų | 60 | 65% | 0.647 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -22.5 | 179.4 | -59.8 | -32.5 | 0 | 0 | 0 | 112.9 | E820 L824 H899 | E820-D822 PolarHBondContact O-N 3.09Å; D822-L824 PolarHBondContact O-N 2.84Å; D822-H899 IonicContact OD1-CE1 2.78Å; D822-H899 PolarHBondContact OD1-CE1 2.76Å; D822-H899 IonicContact OD1-NE2 3.67Å; D822-H899 PolarHBondContact OD1-NE2 2.97Å; D822-H899 IonicContact OD2-CE1 2.67Å; D822-H899 PolarHBondContact OD2-CE1 2.95Å |
| 823 | R | 74.6 | Confident | 83.2 | Confident | 238 Ų | 238 | 55.5 Ų | 55.5 | 90% | 0.898 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -4.2 | 179.7 | -62.1 | -175.7 | -179.6 | 179.4 | 0.8 | 112.8 | S821 | S821-R823 PolarHBondContact O-N 2.86Å; S821-R823 PolarHBondContact OG-N 2.75Å |
| 824 | L | 70.7 | Confident | 83.4 | Confident | 39 Ų | 39 | 58 Ų | 58 | 20% | 0.204 | 28% | 0.284 | C | S | . | . | trans | -99.1 | 120.2 | -169.6 | -113.6 | 154.3 | 0 | 0 | 0 | 110.1 | Q818 S821 D822 Q828 | Q818-L824 HydrophobicContact CB-CD1 4.35Å; Q818-L824 WeakPolarHBondContact O-CD1 3.49Å; S821-L824 WeakPolarHBondContact O-CB 3.27Å; S821-L824 PolarHBondContact O-N 3.44Å; D822-L824 PolarHBondContact O-N 2.84Å; L824-Q828 HydrophobicContact CD2-CB 3.1Å; L824-Q828 HydrophobicContact CD2-CG 3.96Å; L824-Q828 HydrophobicContact CG-CB 4.49Å | ||
| 825 | A | 69.4 | Low | 83.4 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | trans | -72.2 | 150.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | L827 Q828 V829 | A825-L827 PolarHBondContact O-N 3.33Å; A825-L827 VanDerWaalsContact O-N 3.13Å; A825-Q828 WeakPolarHBondContact O-CB 3.35Å; A825-Q828 PolarHBondContact O-N 2.87Å; A825-V829 PolarHBondContact O-N 3.46Å | ||
| 826 | L | 73.4 | Confident | 83.2 | Confident | 51 Ų | 51 | 59.1 Ų | 59.1 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.1 | -33.1 | -179.5 | -74.3 | 166.9 | 0 | 0 | 0 | 113.1 | E256 Q828 V829 R830 I846 | E256-L826 WeakPolarHBondContact OE1-CB 3.47Å; E256-L826 VanDerWaalsContact OE2-CD1 3.31Å; E256-L826 WeakPolarHBondContact OE2-CD1 3.31Å; L826-Q828 PolarHBondContact O-N 2.87Å; L826-V829 WeakPolarHBondContact O-CB 3.37Å; L826-V829 PolarHBondContact O-N 3.46Å; L826-V829 VanDerWaalsContact O-N 3.15Å; L826-R830 PolarHBondContact O-N 3.35Å; L826-I846 HydrophobicContact CD1-CD1 4.24Å; L826-I846 HydrophobicContact CD1-CG1 3.99Å; L826-I846 HydrophobicContact CD2-CG1 3.79Å |
| 827 | L | 69.2 | Low | 83.1 | Confident | 111 Ų | 111 | 60.4 Ų | 60.4 | 58% | 0.581 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.1 | -35.1 | 173.2 | -70.8 | 175.1 | 0 | 0 | 0 | 113.6 | A825 S831 | A825-L827 PolarHBondContact O-N 3.33Å; A825-L827 VanDerWaalsContact O-N 3.13Å; L827-S831 PolarHBondContact O-N 3.45Å |
| 828 | Q | 78.3 | Confident | 83.1 | Confident | 102 Ų | 102 | 59.9 Ų | 59.9 | 48% | 0.477 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -80.3 | -33.1 | 178.9 | -69.5 | 172.8 | -28.2 | 0 | 0 | 111.3 | L824 A825 L826 R830 S831 I832 | L824-Q828 HydrophobicContact CD2-CB 3.1Å; L824-Q828 HydrophobicContact CD2-CG 3.96Å; L824-Q828 HydrophobicContact CG-CB 4.49Å; A825-Q828 WeakPolarHBondContact O-CB 3.35Å; A825-Q828 PolarHBondContact O-N 2.87Å; L826-Q828 PolarHBondContact O-N 2.87Å; Q828-R830 VanDerWaalsContact C-N 3.27Å; Q828-R830 PolarHBondContact O-N 3.38Å; Q828-S831 WeakPolarHBondContact O-CA 3.46Å; Q828-S831 WeakPolarHBondContact O-CB 3.23Å; Q828-S831 PolarHBondContact O-N 3.04Å; Q828-S831 VanDerWaalsContact O-N 3.1Å; Q828-I832 WeakPolarHBondContact O-CG1 3.37Å; Q828-I832 PolarHBondContact O-N 2.96Å |
| 829 | V | 84.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.9 | -46.2 | 167.7 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | I819 A825 L826 S831 I832 L833 | I819-V829 HydrophobicContact CG1-CG1 4.33Å; I819-V829 HydrophobicContact CG2-CG1 4.08Å; A825-V829 PolarHBondContact O-N 3.46Å; L826-V829 WeakPolarHBondContact O-CB 3.37Å; L826-V829 PolarHBondContact O-N 3.46Å; L826-V829 VanDerWaalsContact O-N 3.15Å; V829-S831 VanDerWaalsContact C-N 3.3Å; V829-S831 PolarHBondContact O-N 3.38Å; V829-I832 WeakPolarHBondContact O-CB 3.24Å; V829-I832 PolarHBondContact O-N 3.49Å; V829-I832 VanDerWaalsContact O-N 3.13Å; V829-L833 WeakPolarHBondContact O-CG 3.47Å; V829-L833 PolarHBondContact O-N 3Å |
| 830 | R | 82.6 | Confident | 81.9 | Confident | 89 Ų | 89 | 63.2 Ų | 63.2 | 34% | 0.336 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -38.1 | 174.7 | -170.8 | 178.1 | 179.7 | -157 | -6.4 | 112.6 | L826 Q828 I832 L833 Q834 G840 | L826-R830 PolarHBondContact O-N 3.35Å; Q828-R830 VanDerWaalsContact C-N 3.27Å; Q828-R830 PolarHBondContact O-N 3.38Å; R830-I832 VanDerWaalsContact C-N 3.34Å; R830-L833 PolarHBondContact O-N 3.35Å; R830-Q834 WeakPolarHBondContact O-CG 3.27Å; R830-Q834 PolarHBondContact O-N 3.04Å; R830-G840 PolarHBondContact NE-O 3.32Å; R830-G840 VanDerWaalsContact NE-O 3.09Å |
| 831 | S | 83.9 | Confident | 81.3 | Confident | 50 Ų | 50 | 65.4 Ų | 65.4 | 35% | 0.35 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 174.5 | -174.5 | 0 | 0 | 0 | 0 | 112 | L827 Q828 V829 Q834 Q835 | L827-S831 PolarHBondContact O-N 3.45Å; Q828-S831 WeakPolarHBondContact O-CA 3.46Å; Q828-S831 WeakPolarHBondContact O-CB 3.23Å; Q828-S831 PolarHBondContact O-N 3.04Å; Q828-S831 VanDerWaalsContact O-N 3.1Å; V829-S831 VanDerWaalsContact C-N 3.3Å; V829-S831 PolarHBondContact O-N 3.38Å; S831-Q834 PolarHBondContact O-N 3.08Å; S831-Q835 VanDerWaalsContact O-CG 3.29Å; S831-Q835 WeakPolarHBondContact O-CG 3.46Å; S831-Q835 PolarHBondContact O-N 2.78Å |
| 832 | I | 87.8 | Confident | 80.5 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.3 | -65.5 | 165 | 0 | 0 | 0 | 109.6 | Y815 Q818 I819 Q828 V829 R830 Q834 Q835 L836 | Y815-I832 HydrophobicContact CD1-CG2 3.69Å; Y815-I832 HydrophobicContact CE1-CG2 4.3Å; Y815-I832 HydrophobicContact CG-CG2 4.37Å; Q818-I832 HydrophobicContact CB-CD1 3.77Å; I819-I832 HydrophobicContact CD1-CG2 4.44Å; I819-I832 HydrophobicContact CG1-CD1 4.27Å; I819-I832 HydrophobicContact CG1-CG2 4.38Å; Q828-I832 WeakPolarHBondContact O-CG1 3.37Å; Q828-I832 PolarHBondContact O-N 2.96Å; V829-I832 WeakPolarHBondContact O-CB 3.24Å; V829-I832 PolarHBondContact O-N 3.49Å; V829-I832 VanDerWaalsContact O-N 3.13Å; R830-I832 VanDerWaalsContact C-N 3.34Å; I832-Q834 VanDerWaalsContact C-N 3.33Å; I832-Q834 PolarHBondContact O-N 2.85Å; I832-Q835 WeakPolarHBondContact O-CB 3.45Å; I832-Q835 PolarHBondContact O-N 3.33Å; I832-L836 HydrophobicContact CG2-CD1 4.24Å; I832-L836 WeakPolarHBondContact O-CG 3.49Å; I832-L836 PolarHBondContact O-N 3.33Å |
| 833 | L | 89.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 176.7 | -65.9 | 177 | 0 | 0 | 0 | 112.1 | F811 V829 R830 Q835 L836 G837 L838 V848 | F811-L833 HydrophobicContact CE1-CD2 4.38Å; F811-L833 HydrophobicContact CZ-CD2 4.42Å; V829-L833 WeakPolarHBondContact O-CG 3.47Å; V829-L833 PolarHBondContact O-N 3Å; R830-L833 PolarHBondContact O-N 3.35Å; L833-Q835 PolarHBondContact O-N 3.2Å; L833-L836 CarbonylContact O-C 3.52Å; L833-L836 WeakPolarHBondContact O-CA 3.47Å; L833-L836 WeakPolarHBondContact O-CB 3.42Å; L833-L836 PolarHBondContact O-N 3.33Å; L833-L836 VanDerWaalsContact O-N 3.12Å; L833-G837 PolarHBondContact O-N 2.87Å; L833-L838 CarbonylContact C-O 3.57Å; L833-L838 HydrophobicContact CB-CB 4.23Å; L833-L838 HydrophobicContact CD2-CD1 4.16Å; L833-L838 WeakPolarHBondContact O-CA 3.34Å; L833-L838 WeakPolarHBondContact O-CB 3.38Å; L833-L838 PolarHBondContact O-N 2.9Å; L833-V848 HydrophobicContact CD1-CB 4.4Å; L833-V848 HydrophobicContact CD1-CG2 4.11Å; L833-V848 HydrophobicContact CD2-CG1 4.11Å; L833-V848 HydrophobicContact CD2-CG2 4.33Å |
| 834 | Q | 87.1 | Confident | 81.1 | Confident | 86 Ų | 86 | 53 Ų | 53 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 176.2 | -74.3 | 177.7 | 4.2 | 0 | 0 | 112.7 | R830 S831 I832 L836 G837 L838 | R830-Q834 WeakPolarHBondContact O-CG 3.27Å; R830-Q834 PolarHBondContact O-N 3.04Å; S831-Q834 PolarHBondContact O-N 3.08Å; I832-Q834 VanDerWaalsContact C-N 3.33Å; I832-Q834 PolarHBondContact O-N 2.85Å; Q834-L836 PolarHBondContact O-N 2.81Å; Q834-G837 PolarHBondContact O-N 3.07Å; Q834-L838 PolarHBondContact N-O 2.83Å |
| 835 | Q | 87.4 | Confident | 81.9 | Confident | 140 Ų | 140 | 51.1 Ų | 51.1 | 65% | 0.654 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.1 | -33.8 | 173.8 | -74 | 171.2 | -4.2 | 0 | 0 | 111.9 | S831 I832 L833 G837 | S831-Q835 VanDerWaalsContact O-CG 3.29Å; S831-Q835 WeakPolarHBondContact O-CG 3.46Å; S831-Q835 PolarHBondContact O-N 2.78Å; I832-Q835 WeakPolarHBondContact O-CB 3.45Å; I832-Q835 PolarHBondContact O-N 3.33Å; L833-Q835 PolarHBondContact O-N 3.2Å; Q835-G837 PolarHBondContact O-N 3.4Å |
| 836 | L | 86.8 | Confident | 82.8 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 5.6 | 171.5 | -64.6 | 176.5 | 0 | 0 | 0 | 113.2 | T804 I810 F811 Y815 I832 L833 Q834 L838 | T804-L836 WeakPolarHBondContact CG2-O 3.49Å; I810-L836 HydrophobicContact CD1-CD2 4.25Å; I810-L836 HydrophobicContact CG1-CD2 4.25Å; F811-L836 HydrophobicContact CD1-CD1 4.15Å; F811-L836 HydrophobicContact CE1-CD1 3.82Å; F811-L836 HydrophobicContact CZ-CD1 4.27Å; Y815-L836 HydrophobicContact CD2-CD1 4.34Å; Y815-L836 HydrophobicContact CD2-CD2 4.11Å; Y815-L836 HydrophobicContact CE1-CD2 4.35Å; Y815-L836 HydrophobicContact CE2-CD2 3.6Å; Y815-L836 HydrophobicContact CG-CD1 4.37Å; I832-L836 HydrophobicContact CG2-CD1 4.24Å; I832-L836 WeakPolarHBondContact O-CG 3.49Å; I832-L836 PolarHBondContact O-N 3.33Å; L833-L836 CarbonylContact O-C 3.52Å; L833-L836 WeakPolarHBondContact O-CA 3.47Å; L833-L836 WeakPolarHBondContact O-CB 3.42Å; L833-L836 PolarHBondContact O-N 3.33Å; L833-L836 VanDerWaalsContact O-N 3.12Å; Q834-L836 PolarHBondContact O-N 2.81Å; L836-L838 HydrophobicContact CB-CD1 4.41Å; L836-L838 HydrophobicContact CB-CG 4.31Å; L836-L838 PolarHBondContact O-N 2.84Å |
| 837 | G | 87.9 | Confident | 83.7 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 17.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L833 Q834 Q835 | L833-G837 PolarHBondContact O-N 2.87Å; Q834-G837 PolarHBondContact O-N 3.07Å; Q835-G837 PolarHBondContact O-N 3.4Å |
| 838 | L | 88.3 | Confident | 84.9 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | trans | -103.2 | 104.5 | 177.6 | -56.2 | 178.7 | 0 | 0 | 0 | 109.4 | F797 T802 L805 F811 L833 Q834 L836 G840 | F797-L838 HydrophobicContact CE1-CB 4.32Å; F797-L838 HydrophobicContact CE2-CD1 4.41Å; F797-L838 HydrophobicContact CZ-CB 4.08Å; F797-L838 HydrophobicContact CZ-CD1 4.22Å; T802-L838 WeakPolarHBondContact OG1-CD2 3.29Å; L805-L838 HydrophobicContact CB-CD2 3.89Å; L805-L838 HydrophobicContact CD1-CD1 4.3Å; L805-L838 HydrophobicContact CD1-CD2 4.34Å; F811-L838 HydrophobicContact CE2-CD1 3.86Å; F811-L838 HydrophobicContact CZ-CD1 3.46Å; F811-L838 VanDerWaalsContact CZ-CD1 3.46Å; L833-L838 CarbonylContact C-O 3.57Å; L833-L838 HydrophobicContact CB-CB 4.23Å; L833-L838 HydrophobicContact CD2-CD1 4.16Å; L833-L838 WeakPolarHBondContact O-CA 3.34Å; L833-L838 WeakPolarHBondContact O-CB 3.38Å; L833-L838 PolarHBondContact O-N 2.9Å; Q834-L838 PolarHBondContact N-O 2.83Å; L836-L838 HydrophobicContact CB-CD1 4.41Å; L836-L838 HydrophobicContact CB-CG 4.31Å; L836-L838 PolarHBondContact O-N 2.84Å; L838-G840 PolarHBondContact O-N 3.48Å | ||
| 839 | H | 82.1 | Confident | 85.6 | Confident | 146 Ų | 146 | 42 Ų | 42 | 68% | 0.676 | 22% | 0.217 | S | C | * | . | trans | -88 | 91.9 | 179.5 | -63.7 | -65.4 | 0 | 0 | 0 | 110.7 | ||||
| 840 | G | 76.4 | Confident | 86.2 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 6% | 0.062 | 23% | 0.23 | C | C | . | . | trans | -104.6 | 161.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | R830 L838 D844 | R830-G840 PolarHBondContact NE-O 3.32Å; R830-G840 VanDerWaalsContact NE-O 3.09Å; L838-G840 PolarHBondContact O-N 3.48Å; G840-D844 WeakPolarHBondContact CA-OD2 3.41Å | ||
| 841 | T | 78.6 | Confident | 86.9 | Confident | 57 Ų | 57 | 40.6 Ų | 40.6 | 35% | 0.35 | 21% | 0.214 | S | C | . | . | trans | -72.5 | 177.4 | 160.8 | 68.2 | 0 | 0 | 0 | 0 | 110.3 | D843 D844 S845 | T841-D843 PolarHBondContact OG1-N 2.77Å; T841-D844 PolarHBondContact N-OD2 3.25Å; T841-D844 PolarHBondContact OG1-N 2.95Å; T841-D844 PolarHBondContact OG1-OD2 2.93Å; T841-S845 PolarHBondContact O-N 3.02Å; T841-S845 PolarHBondContact O-OG 3.5Å | ||
| 842 | C | 72.4 | Confident | 87.5 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.2 | -35.9 | 170.2 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | E256 D844 S845 I846 | E256-C842 HydrophobicContact CB-CB 3.94Å; E256-C842 HydrophobicContact CG-CB 4Å; E256-C842 VanDerWaalsContact OE1-CB 3.28Å; E256-C842 WeakPolarHBondContact OE1-CB 3.33Å; E256-C842 PolarHBondContact OE1-SG 3.39Å; E256-C842 WeakPolarHBondContact OE2-CB 3.44Å; C842-D844 VanDerWaalsContact C-N 3.28Å; C842-D844 PolarHBondContact O-N 3.25Å; C842-S845 CarbonylContact O-C 3.59Å; C842-S845 WeakPolarHBondContact O-CA 3.16Å; C842-S845 VanDerWaalsContact O-CB 3.24Å; C842-S845 WeakPolarHBondContact O-CB 3.08Å; C842-S845 PolarHBondContact O-N 2.71Å; C842-I846 WeakPolarHBondContact O-CG1 3.38Å; C842-I846 PolarHBondContact O-N 3.1Å |
| 843 | D | 78.9 | Confident | 87.9 | Confident | 100 Ų | 100 | 38.7 Ų | 38.7 | 54% | 0.535 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.2 | -41.9 | 171.9 | -64.8 | -34.5 | 0 | 0 | 0 | 111.5 | T841 S845 I846 I847 | T841-D843 PolarHBondContact OG1-N 2.77Å; D843-S845 PolarHBondContact O-N 2.7Å; D843-I846 PolarHBondContact O-N 2.78Å; D843-I847 WeakPolarHBondContact O-CG1 3.48Å; D843-I847 PolarHBondContact O-N 2.82Å |
| 844 | D | 87.9 | Confident | 88.3 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 6% | 0.059 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.6 | -40.1 | 172.3 | -68.8 | -40.2 | 0 | 0 | 0 | 111 | L796 F797 G840 T841 C842 I847 V848 | L796-D844 WeakPolarHBondContact CA-OD1 3.29Å; L796-D844 HydrophobicContact CD2-CB 3.81Å; L796-D844 HydrophobicContact CG-CB 4.43Å; F797-D844 HydrophobicContact CD1-CB 4.1Å; F797-D844 HydrophobicContact CE1-CB 3.98Å; F797-D844 PolarHBondContact N-OD1 3.48Å; G840-D844 WeakPolarHBondContact CA-OD2 3.41Å; T841-D844 PolarHBondContact N-OD2 3.25Å; T841-D844 PolarHBondContact OG1-N 2.95Å; T841-D844 PolarHBondContact OG1-OD2 2.93Å; C842-D844 VanDerWaalsContact C-N 3.28Å; C842-D844 PolarHBondContact O-N 3.25Å; D844-I847 PolarHBondContact O-N 2.98Å; D844-V848 WeakPolarHBondContact O-CB 3.4Å; D844-V848 WeakPolarHBondContact O-CG2 3.46Å; D844-V848 PolarHBondContact O-N 2.66Å |
| 845 | S | 88 | Confident | 88.8 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.3 | -37.3 | 180 | -53.5 | 0 | 0 | 0 | 0 | 112.2 | T841 C842 D843 K849 | T841-S845 PolarHBondContact O-N 3.02Å; T841-S845 PolarHBondContact O-OG 3.5Å; C842-S845 CarbonylContact O-C 3.59Å; C842-S845 WeakPolarHBondContact O-CA 3.16Å; C842-S845 VanDerWaalsContact O-CB 3.24Å; C842-S845 WeakPolarHBondContact O-CB 3.08Å; C842-S845 PolarHBondContact O-N 2.71Å; D843-S845 PolarHBondContact O-N 2.7Å; S845-K849 WeakPolarHBondContact O-CB 3.33Å; S845-K849 PolarHBondContact O-N 3.47Å |
| 846 | I | 87.7 | Confident | 89.3 | Confident | 51 Ų | 51 | 29.1 Ų | 29.1 | 26% | 0.262 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.5 | -51.4 | 173 | -66 | 169 | 0 | 0 | 0 | 109.6 | L826 C842 D843 V848 K849 E850 | L826-I846 HydrophobicContact CD1-CD1 4.24Å; L826-I846 HydrophobicContact CD1-CG1 3.99Å; L826-I846 HydrophobicContact CD2-CG1 3.79Å; C842-I846 WeakPolarHBondContact O-CG1 3.38Å; C842-I846 PolarHBondContact O-N 3.1Å; D843-I846 PolarHBondContact O-N 2.78Å; I846-V848 VanDerWaalsContact C-N 3.33Å; I846-V848 PolarHBondContact O-N 3.11Å; I846-K849 WeakPolarHBondContact O-CB 3.32Å; I846-K849 PolarHBondContact O-N 3.45Å; I846-K849 VanDerWaalsContact O-N 3.12Å; I846-E850 HydrophobicContact CG2-CG 4.49Å; I846-E850 WeakPolarHBondContact O-CG 3.47Å; I846-E850 PolarHBondContact O-N 2.92Å |
| 847 | I | 92.6 | Very high | 89.9 | Confident | 21 Ų | 21 | 35.8 Ų | 35.8 | 11% | 0.108 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | -179.9 | -64.4 | 166.6 | 0 | 0 | 0 | 110.5 | V474 L790 L796 D843 D844 K849 E850 V851 | V474-I847 HydrophobicContact CG1-CG1 4.48Å; V474-I847 HydrophobicContact CG1-CG2 3.87Å; V474-I847 HydrophobicContact CG2-CD1 4.25Å; L790-I847 HydrophobicContact CD1-CG2 3.84Å; L796-I847 HydrophobicContact CD1-CB 4.14Å; L796-I847 HydrophobicContact CD1-CG2 3.54Å; L796-I847 HydrophobicContact CG-CG2 4.44Å; D843-I847 WeakPolarHBondContact O-CG1 3.48Å; D843-I847 PolarHBondContact O-N 2.82Å; D844-I847 PolarHBondContact O-N 2.98Å; I847-K849 VanDerWaalsContact C-N 3.32Å; I847-K849 PolarHBondContact O-N 2.92Å; I847-E850 PolarHBondContact O-N 3.04Å; I847-V851 HydrophobicContact CG2-CG2 4.27Å; I847-V851 WeakPolarHBondContact O-CG2 3.49Å; I847-V851 PolarHBondContact O-N 3.42Å |
| 848 | V | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -42 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | L787 L796 F797 I819 L833 D844 I846 V851 C852 | L787-V848 HydrophobicContact CD1-CG1 4.21Å; L787-V848 HydrophobicContact CD1-CG2 4.11Å; L787-V848 HydrophobicContact CD2-CB 4.32Å; L787-V848 HydrophobicContact CD2-CG2 3.65Å; L796-V848 HydrophobicContact CD1-CG2 4.37Å; L796-V848 HydrophobicContact CD2-CG2 4.22Å; F797-V848 HydrophobicContact CZ-CG2 4.18Å; I819-V848 HydrophobicContact CD1-CG1 4.29Å; L833-V848 HydrophobicContact CD1-CB 4.4Å; L833-V848 HydrophobicContact CD1-CG2 4.11Å; L833-V848 HydrophobicContact CD2-CG1 4.11Å; L833-V848 HydrophobicContact CD2-CG2 4.33Å; D844-V848 WeakPolarHBondContact O-CB 3.4Å; D844-V848 WeakPolarHBondContact O-CG2 3.46Å; D844-V848 PolarHBondContact O-N 2.66Å; I846-V848 VanDerWaalsContact C-N 3.33Å; I846-V848 PolarHBondContact O-N 3.11Å; V848-V851 PolarHBondContact O-N 3.01Å; V848-C852 PolarHBondContact O-N 3.32Å; V848-C852 PolarHBondContact O-SG 3.13Å |
| 849 | K | 93.5 | Very high | 90.8 | Very high | 58 Ų | 58 | 34.4 Ų | 34.4 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 176.5 | -173.3 | 174.5 | -176.4 | 172.6 | 0 | 111.6 | I819 S845 I846 I847 C852 G853 | I819-K849 HydrophobicContact CG2-CB 3.93Å; I819-K849 HydrophobicContact CG2-CG 4.08Å; I819-K849 WeakPolarHBondContact O-CE 3.48Å; S845-K849 WeakPolarHBondContact O-CB 3.33Å; S845-K849 PolarHBondContact O-N 3.47Å; I846-K849 WeakPolarHBondContact O-CB 3.32Å; I846-K849 PolarHBondContact O-N 3.45Å; I846-K849 VanDerWaalsContact O-N 3.12Å; I847-K849 VanDerWaalsContact C-N 3.32Å; I847-K849 PolarHBondContact O-N 2.92Å; K849-C852 PolarHBondContact O-N 3.2Å; K849-G853 PolarHBondContact O-N 2.72Å |
| 850 | E | 95.1 | Very high | 91.6 | Very high | 58 Ų | 58 | 27.5 Ų | 27.5 | 27% | 0.271 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.6 | -70.3 | 176.7 | 161.5 | 0 | 0 | 112.2 | R471 L478 I846 I847 G853 A854 | R471-E850 IonicContact CZ-OE1 3.57Å; R471-E850 IonicContact CZ-OE2 3.05Å; R471-E850 IonicContact NH1-OE1 2.62Å; R471-E850 PolarHBondContact NH1-OE1 3.06Å; R471-E850 IonicContact NH1-OE2 2.92Å; R471-E850 PolarHBondContact NH1-OE2 3.25Å; R471-E850 VanDerWaalsContact NH2-CD 3.32Å; R471-E850 IonicContact NH2-OE1 3.78Å; R471-E850 PolarHBondContact NH2-OE1 2.92Å; R471-E850 IonicContact NH2-OE2 3.15Å; R471-E850 PolarHBondContact NH2-OE2 2.97Å; L478-E850 HydrophobicContact CD1-CB 3.95Å; I846-E850 HydrophobicContact CG2-CG 4.49Å; I846-E850 WeakPolarHBondContact O-CG 3.47Å; I846-E850 PolarHBondContact O-N 2.92Å; I847-E850 PolarHBondContact O-N 3.04Å; E850-G853 PolarHBondContact O-N 2.86Å; E850-A854 WeakPolarHBondContact O-CB 3.26Å; E850-A854 PolarHBondContact O-N 3.39Å |
| 851 | V | 97.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | L478 V783 V786 L787 L790 I847 V848 G853 A854 V855 | L478-V851 HydrophobicContact CD2-CB 4.28Å; L478-V851 HydrophobicContact CD2-CG2 3.74Å; V783-V851 HydrophobicContact CB-CG1 4.43Å; V783-V851 HydrophobicContact CG1-CG1 4.08Å; V783-V851 HydrophobicContact CG2-CG1 4.36Å; V786-V851 HydrophobicContact CB-CG1 3.77Å; V786-V851 HydrophobicContact CG1-CB 4.45Å; V786-V851 HydrophobicContact CG1-CG1 3.68Å; V786-V851 HydrophobicContact CG1-CG2 3.85Å; V786-V851 HydrophobicContact CG2-CG1 4.41Å; L787-V851 HydrophobicContact CD2-CB 4.29Å; L787-V851 HydrophobicContact CD2-CG1 4.27Å; L787-V851 HydrophobicContact CD2-CG2 4.04Å; L790-V851 HydrophobicContact CD1-CG2 3.93Å; I847-V851 HydrophobicContact CG2-CG2 4.27Å; I847-V851 WeakPolarHBondContact O-CG2 3.49Å; I847-V851 PolarHBondContact O-N 3.42Å; V848-V851 PolarHBondContact O-N 3.01Å; V851-G853 PolarHBondContact O-N 2.89Å; V851-A854 PolarHBondContact O-N 3.09Å; V851-V855 WeakPolarHBondContact O-CG2 3.49Å; V851-V855 PolarHBondContact O-N 2.95Å; V851-V855 VanDerWaalsContact O-N 3.14Å |
| 852 | C | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.3 | -50.9 | 177 | -65.5 | 0 | 0 | 0 | 0 | 110.6 | I819 E820 V848 K849 A854 V855 S856 | I819-C852 HydrophobicContact CG2-CB 4.37Å; E820-C852 HydrophobicContact CG-CB 3.84Å; E820-C852 WeakPolarHBondContact OE1-CB 3.46Å; E820-C852 VanDerWaalsContact OE1-O 3.05Å; V848-C852 PolarHBondContact O-N 3.32Å; V848-C852 PolarHBondContact O-SG 3.13Å; K849-C852 PolarHBondContact O-N 3.2Å; C852-A854 PolarHBondContact O-N 2.88Å; C852-V855 PolarHBondContact O-N 3.47Å; C852-S856 WeakPolarHBondContact O-CB 3.38Å; C852-S856 PolarHBondContact O-N 2.89Å; C852-S856 PolarHBondContact O-OG 3.1Å |
| 853 | G | 96.3 | Very high | 94.9 | Very high | 21 Ų | 21 | 25 Ų | 25 | 22% | 0.216 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61 | -38.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E820 K849 E850 V851 S856 R857 | E820-G853 PolarHBondContact OE1-N 2.82Å; E820-G853 WeakPolarHBondContact OE2-CA 3.35Å; K849-G853 PolarHBondContact O-N 2.72Å; E850-G853 PolarHBondContact O-N 2.86Å; V851-G853 PolarHBondContact O-N 2.89Å; G853-S856 PolarHBondContact O-OG 2.85Å; G853-R857 WeakPolarHBondContact O-CB 3.28Å; G853-R857 PolarHBondContact O-N 2.88Å |
| 854 | A | 97.9 | Very high | 95.8 | Very high | 23 Ų | 23 | 20.2 Ų | 20.2 | 19% | 0.19 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.3 | -44.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L478 F481 E850 V851 C852 R858 | L478-A854 HydrophobicContact CD2-CB 4.17Å; F481-A854 HydrophobicContact CB-CB 4.15Å; E850-A854 WeakPolarHBondContact O-CB 3.26Å; E850-A854 PolarHBondContact O-N 3.39Å; V851-A854 PolarHBondContact O-N 3.09Å; C852-A854 PolarHBondContact O-N 2.88Å; A854-R858 WeakPolarHBondContact O-CB 3.48Å; A854-R858 PolarHBondContact O-N 2.99Å |
| 855 | V | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.5 | -48.6 | -179.9 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | F481 L779 I782 V783 V851 C852 R858 A859 | F481-V855 HydrophobicContact CD1-CG2 4.05Å; F481-V855 HydrophobicContact CE1-CG2 3.79Å; F481-V855 HydrophobicContact CZ-CG2 4.12Å; L779-V855 HydrophobicContact CB-CG1 4.19Å; L779-V855 HydrophobicContact CD2-CG1 4.03Å; I782-V855 HydrophobicContact CB-CG1 4.17Å; I782-V855 HydrophobicContact CG2-CG1 4.02Å; I782-V855 HydrophobicContact CG2-CG2 3.82Å; V783-V855 HydrophobicContact CG2-CB 4.02Å; V783-V855 HydrophobicContact CG2-CG1 4.22Å; V783-V855 HydrophobicContact CG2-CG2 3.94Å; V851-V855 WeakPolarHBondContact O-CG2 3.49Å; V851-V855 PolarHBondContact O-N 2.95Å; V851-V855 VanDerWaalsContact O-N 3.14Å; C852-V855 PolarHBondContact O-N 3.47Å; V855-R858 PolarHBondContact O-N 3.24Å; V855-A859 WeakPolarHBondContact O-CB 3.44Å; V855-A859 PolarHBondContact O-N 3.07Å |
| 856 | S | 97.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.8 | -38 | -177.1 | 69 | 0 | 0 | 0 | 0 | 112.4 | E820 C852 G853 A859 A860 H897 | E820-S856 VanDerWaalsContact CD-OG 3.23Å; E820-S856 VanDerWaalsContact OE1-CB 3.27Å; E820-S856 WeakPolarHBondContact OE1-CB 3.4Å; E820-S856 PolarHBondContact OE1-OG 3.31Å; E820-S856 PolarHBondContact OE2-OG 2.58Å; C852-S856 WeakPolarHBondContact O-CB 3.38Å; C852-S856 PolarHBondContact O-N 2.89Å; C852-S856 PolarHBondContact O-OG 3.1Å; G853-S856 PolarHBondContact O-OG 2.85Å; S856-A859 WeakPolarHBondContact O-CB 3.29Å; S856-A859 PolarHBondContact O-N 2.81Å; S856-A860 PolarHBondContact O-N 3.45Å; S856-H897 VanDerWaalsContact CB-NE2 3.33Å; S856-H897 WeakPolarHBondContact CB-NE2 3.33Å; S856-H897 PolarHBondContact OG-CE1 3.47Å |
| 857 | R | 98.3 | Very high | 97.3 | Very high | 150 Ų | 150 | 17.3 Ų | 17.3 | 57% | 0.566 | 8% | 0.084 | S | C | * | . | H | α-helix | trans | -62.7 | -47.9 | 174.4 | -174.7 | 177.9 | -170.2 | 152.1 | 5.8 | 111.5 | G853 A859 A860 Q861 V903 | G853-R857 WeakPolarHBondContact O-CB 3.28Å; G853-R857 PolarHBondContact O-N 2.88Å; R857-A859 VanDerWaalsContact C-N 3.3Å; R857-A859 PolarHBondContact O-N 3.29Å; R857-A860 PolarHBondContact O-N 3.13Å; R857-Q861 WeakPolarHBondContact O-CG 3.23Å; R857-Q861 PolarHBondContact O-N 3.42Å; R857-V903 HydrophobicContact CG-CG1 4.09Å |
| 858 | R | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -56.9 | -46.9 | 176 | -175.2 | -166.7 | 67.7 | 174.6 | 1.6 | 110.8 | F481 L483 D755 A854 V855 A860 Q861 M862 | F481-R858 WeakPolarHBondContact O-CG 3.25Å; L483-R858 HydrophobicContact CD1-CG 3.75Å; L483-R858 HydrophobicContact CG-CG 3.98Å; D755-R858 VanDerWaalsContact CG-NH1 3.33Å; D755-R858 IonicContact OD1-CZ 3.77Å; D755-R858 IonicContact OD1-NH1 2.63Å; D755-R858 PolarHBondContact OD1-NH1 3.39Å; D755-R858 IonicContact OD1-NH2 2.69Å; D755-R858 PolarHBondContact OD1-NH2 2.87Å; D755-R858 IonicContact OD2-CZ 2.77Å; D755-R858 IonicContact OD2-NH1 3.75Å; D755-R858 PolarHBondContact OD2-NH1 2.7Å; D755-R858 IonicContact OD2-NH2 3.12Å; A854-R858 WeakPolarHBondContact O-CB 3.48Å; A854-R858 PolarHBondContact O-N 2.99Å; V855-R858 PolarHBondContact O-N 3.24Å; R858-A860 PolarHBondContact O-N 3.18Å; R858-Q861 PolarHBondContact O-N 3.3Å; R858-M862 HydrophobicContact CG-CG 4.43Å; R858-M862 HydrophobicContact CG-SD 4.35Å; R858-M862 WeakPolarHBondContact O-CG 3.22Å; R858-M862 PolarHBondContact O-N 3.01Å |
| 859 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57 | -48.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L773 L779 V855 S856 R857 Q861 M862 C863 F900 | L773-A859 WeakPolarHBondContact O-CB 3.32Å; L779-A859 HydrophobicContact CD1-CB 3.89Å; L779-A859 HydrophobicContact CD2-CB 3.65Å; L779-A859 HydrophobicContact CG-CB 4.42Å; V855-A859 WeakPolarHBondContact O-CB 3.44Å; V855-A859 PolarHBondContact O-N 3.07Å; S856-A859 WeakPolarHBondContact O-CB 3.29Å; S856-A859 PolarHBondContact O-N 2.81Å; R857-A859 VanDerWaalsContact C-N 3.3Å; R857-A859 PolarHBondContact O-N 3.29Å; A859-Q861 PolarHBondContact O-N 2.76Å; A859-M862 PolarHBondContact O-N 2.85Å; A859-C863 PolarHBondContact O-N 3.22Å; A859-F900 HydrophobicContact CB-CE2 3.86Å |
| 860 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S856 R857 R858 C863 G864 F900 V903 L904 | S856-A860 PolarHBondContact O-N 3.45Å; R857-A860 PolarHBondContact O-N 3.13Å; R858-A860 PolarHBondContact O-N 3.18Å; A860-C863 PolarHBondContact O-N 3Å; A860-G864 PolarHBondContact O-N 2.94Å; A860-F900 HydrophobicContact CB-CD1 4.31Å; A860-F900 HydrophobicContact CB-CD2 3.71Å; A860-F900 HydrophobicContact CB-CE1 4.45Å; A860-F900 HydrophobicContact CB-CE2 3.87Å; A860-F900 HydrophobicContact CB-CG 3.94Å; A860-F900 HydrophobicContact CB-CZ 4.24Å; A860-F900 WeakPolarHBondContact CB-O 3.44Å; A860-V903 HydrophobicContact CB-CB 3.78Å; A860-V903 HydrophobicContact CB-CG1 3.67Å; A860-L904 HydrophobicContact CB-CB 4.45Å |
| 861 | Q | 98.8 | Very high | 98.2 | Very high | 28 Ų | 28 | 10.9 Ų | 10.9 | 13% | 0.131 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -65.3 | -41.3 | 176.6 | -70.5 | -179.8 | -49.6 | 0 | 0 | 112.3 | L483 L488 R857 R858 A859 G864 A865 V903 T907 | L483-Q861 HydrophobicContact CD1-CB 4.46Å; L488-Q861 HydrophobicContact CD2-CB 3.79Å; R857-Q861 WeakPolarHBondContact O-CG 3.23Å; R857-Q861 PolarHBondContact O-N 3.42Å; R858-Q861 PolarHBondContact O-N 3.3Å; A859-Q861 PolarHBondContact O-N 2.76Å; Q861-G864 PolarHBondContact O-N 2.89Å; Q861-A865 PolarHBondContact O-N 2.78Å; Q861-V903 HydrophobicContact CG-CG1 3.66Å; Q861-T907 HydrophobicContact CB-CG2 4.41Å; Q861-T907 WeakPolarHBondContact O-CG2 3.41Å |
| 862 | M | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 175.7 | -71.1 | -168.4 | 73.3 | 0 | 0 | 111.6 | L483 V491 L747 I750 F770 L773 T774 R858 A859 G864 A865 G866 | L483-M862 HydrophobicContact CD1-CG 3.65Å; L483-M862 HydrophobicContact CD1-SD 4.5Å; V491-M862 HydrophobicContact CG2-CE 4.45Å; L747-M862 HydrophobicContact CD1-CE 4.49Å; I750-M862 HydrophobicContact CG2-CE 4.11Å; I750-M862 HydrophobicContact CG2-SD 4.15Å; F770-M862 HydrophobicContact CD2-CE 3.84Å; F770-M862 HydrophobicContact CE2-CB 4.08Å; F770-M862 HydrophobicContact CE2-CE 3.82Å; F770-M862 HydrophobicContact CZ-CB 4.38Å; L773-M862 HydrophobicContact CB-CE 4.34Å; L773-M862 HydrophobicContact CB-SD 3.9Å; L773-M862 HydrophobicContact CD1-CE 3.57Å; L773-M862 HydrophobicContact CD1-SD 3.9Å; L773-M862 HydrophobicContact CG-SD 4.49Å; T774-M862 HydrophobicContact CG2-CB 3.8Å; R858-M862 HydrophobicContact CG-CG 4.43Å; R858-M862 HydrophobicContact CG-SD 4.35Å; R858-M862 WeakPolarHBondContact O-CG 3.22Å; R858-M862 PolarHBondContact O-N 3.01Å; A859-M862 PolarHBondContact O-N 2.85Å; M862-G864 VanDerWaalsContact C-N 3.32Å; M862-G864 PolarHBondContact O-N 2.97Å; M862-A865 PolarHBondContact O-N 3.4Å; M862-G866 PolarHBondContact O-N 2.83Å |
| 863 | C | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.1 | -42 | 171.7 | -79.8 | 0 | 0 | 0 | 0 | 112.3 | M669 T774 A859 A860 G866 M867 F900 L904 | M669-C863 HydrophobicContact CE-CB 3.98Å; T774-C863 VanDerWaalsContact CB-SG 3.6Å; A859-C863 PolarHBondContact O-N 3.22Å; A860-C863 PolarHBondContact O-N 3Å; C863-G866 PolarHBondContact O-N 3.1Å; C863-M867 WeakPolarHBondContact O-CB 3.48Å; C863-M867 PolarHBondContact O-N 3.18Å; C863-F900 HydrophobicContact CB-CZ 4.38Å; C863-L904 HydrophobicContact CB-CD1 3.71Å; C863-L904 HydrophobicContact CB-CG 4.39Å |
| 864 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A860 Q861 M862 G866 M867 A868 V908 | A860-G864 PolarHBondContact O-N 2.94Å; Q861-G864 PolarHBondContact O-N 2.89Å; M862-G864 VanDerWaalsContact C-N 3.32Å; M862-G864 PolarHBondContact O-N 2.97Å; G864-G866 VanDerWaalsContact C-N 3.34Å; G864-G866 PolarHBondContact O-N 2.84Å; G864-M867 PolarHBondContact O-N 3.42Å; G864-A868 VanDerWaalsContact O-CB 3.31Å; G864-A868 WeakPolarHBondContact O-CB 3.33Å; G864-A868 PolarHBondContact O-N 3.42Å; G864-V908 WeakPolarHBondContact O-CG2 3.42Å |
| 865 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -63.6 | -39.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L488 V491 Q861 M862 A868 A869 | L488-A865 HydrophobicContact CD2-CB 4.48Å; V491-A865 HydrophobicContact CB-CB 3.97Å; V491-A865 HydrophobicContact CG1-CB 3.76Å; Q861-A865 PolarHBondContact O-N 2.78Å; M862-A865 PolarHBondContact O-N 3.4Å; A865-A868 PolarHBondContact O-N 2.84Å; A865-A869 PolarHBondContact O-N 3.26Å |
| 866 | G | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.9 | -46.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M862 C863 G864 A868 A869 V870 | M862-G866 PolarHBondContact O-N 2.83Å; C863-G866 PolarHBondContact O-N 3.1Å; G864-G866 VanDerWaalsContact C-N 3.34Å; G864-G866 PolarHBondContact O-N 2.84Å; G866-A868 PolarHBondContact O-N 3.13Å; G866-A869 WeakPolarHBondContact O-CB 3.36Å; G866-A869 PolarHBondContact O-N 3.21Å; G866-V870 PolarHBondContact O-N 3Å |
| 867 | M | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62 | -42 | 175.8 | 179.5 | 59.9 | 70.1 | 0 | 0 | 111.9 | V667 M669 L677 C863 G864 A869 V870 V871 V887 V908 F919 | V667-M867 HydrophobicContact CG1-CE 4.02Å; V667-M867 HydrophobicContact CG1-SD 3.93Å; M669-M867 HydrophobicContact CB-CE 3.9Å; M669-M867 HydrophobicContact CG-CE 4.21Å; M669-M867 HydrophobicContact SD-CE 3.57Å; M669-M867 VanDerWaalsContact SD-CE 3.57Å; L677-M867 HydrophobicContact CD1-CE 3.27Å; L677-M867 HydrophobicContact CD1-SD 3.79Å; L677-M867 HydrophobicContact CG-CE 4.49Å; C863-M867 WeakPolarHBondContact O-CB 3.48Å; C863-M867 PolarHBondContact O-N 3.18Å; G864-M867 PolarHBondContact O-N 3.42Å; M867-A869 VanDerWaalsContact C-N 3.26Å; M867-A869 PolarHBondContact O-N 2.67Å; M867-V870 WeakPolarHBondContact O-CB 3.41Å; M867-V870 PolarHBondContact O-N 3.39Å; M867-V871 PolarHBondContact O-N 3.46Å; M867-V871 HydrophobicContact SD-CG1 4.12Å; M867-V887 HydrophobicContact CE-CB 4.48Å; M867-V887 HydrophobicContact CE-CG1 3.56Å; M867-V887 HydrophobicContact CE-CG2 4.12Å; M867-V887 HydrophobicContact SD-CG1 4.36Å; M867-V887 HydrophobicContact SD-CG2 3.83Å; M867-V908 HydrophobicContact CB-CG2 3.83Å; M867-V908 HydrophobicContact CG-CG2 3.78Å; M867-F919 HydrophobicContact CE-CE1 4.24Å; M867-F919 HydrophobicContact CG-CE1 4.24Å; M867-F919 HydrophobicContact CG-CZ 4.07Å |
| 868 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -57.6 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K492 G864 A865 G866 V870 V871 D872 M911 A912 | K492-A868 HydrophobicContact CD-CB 4.29Å; K492-A868 HydrophobicContact CG-CB 4.47Å; G864-A868 VanDerWaalsContact O-CB 3.31Å; G864-A868 WeakPolarHBondContact O-CB 3.33Å; G864-A868 PolarHBondContact O-N 3.42Å; A865-A868 PolarHBondContact O-N 2.84Å; G866-A868 PolarHBondContact O-N 3.13Å; A868-V870 VanDerWaalsContact C-N 3.33Å; A868-V870 PolarHBondContact O-N 3.4Å; A868-V871 WeakPolarHBondContact O-CG2 3.23Å; A868-D872 WeakPolarHBondContact O-CB 3.23Å; A868-D872 PolarHBondContact O-N 3.38Å; A868-D872 VanDerWaalsContact O-N 3.12Å; A868-M911 HydrophobicContact CB-CB 3.5Å; A868-A912 HydrophobicContact CB-CB 3.91Å |
| 869 | A | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 2% | 0.017 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.9 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K492 M495 R496 A865 G866 M867 K873 | K492-A869 HydrophobicContact CG-CB 3.84Å; K492-A869 WeakPolarHBondContact O-CB 3.47Å; M495-A869 HydrophobicContact CB-CB 3.83Å; M495-A869 HydrophobicContact CG-CB 3.76Å; R496-A869 HydrophobicContact CB-CB 4.34Å; A865-A869 PolarHBondContact O-N 3.26Å; G866-A869 WeakPolarHBondContact O-CB 3.36Å; G866-A869 PolarHBondContact O-N 3.21Å; M867-A869 VanDerWaalsContact C-N 3.26Å; M867-A869 PolarHBondContact O-N 2.67Å; A869-K873 VanDerWaalsContact O-CB 3.25Å; A869-K873 WeakPolarHBondContact O-CB 3.48Å; A869-K873 PolarHBondContact O-N 2.82Å |
| 870 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.1 | -51 | 179.4 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | L499 V667 L677 Y679 G866 M867 A868 D872 K873 I874 | L499-V870 HydrophobicContact CD1-CG2 3.86Å; V667-V870 HydrophobicContact CG1-CG1 4.46Å; V667-V870 HydrophobicContact CG2-CG1 4.46Å; L677-V870 HydrophobicContact CD1-CG2 4.07Å; L677-V870 HydrophobicContact CD2-CB 4.43Å; L677-V870 HydrophobicContact CD2-CG1 3.95Å; L677-V870 HydrophobicContact CD2-CG2 3.78Å; Y679-V870 HydrophobicContact CD1-CG1 3.82Å; Y679-V870 HydrophobicContact CD2-CG1 4.49Å; Y679-V870 HydrophobicContact CE1-CG1 4.38Å; Y679-V870 HydrophobicContact CG-CG1 3.87Å; G866-V870 PolarHBondContact O-N 3Å; M867-V870 WeakPolarHBondContact O-CB 3.41Å; M867-V870 PolarHBondContact O-N 3.39Å; A868-V870 VanDerWaalsContact C-N 3.33Å; A868-V870 PolarHBondContact O-N 3.4Å; V870-D872 PolarHBondContact O-N 2.79Å; V870-K873 WeakPolarHBondContact O-CB 3.37Å; V870-K873 PolarHBondContact O-N 2.97Å; V870-K873 VanDerWaalsContact O-N 3.15Å; V870-I874 HydrophobicContact CG1-CD1 4.01Å; V870-I874 WeakPolarHBondContact O-CG1 3.42Å; V870-I874 PolarHBondContact O-N 3.45Å |
| 871 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67 | -37 | -177 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | M867 A868 K873 I874 R875 L883 I885 A912 C915 V917 | M867-V871 PolarHBondContact O-N 3.46Å; M867-V871 HydrophobicContact SD-CG1 4.12Å; A868-V871 WeakPolarHBondContact O-CG2 3.23Å; V871-K873 VanDerWaalsContact C-N 3.33Å; V871-I874 PolarHBondContact O-N 3.44Å; V871-R875 WeakPolarHBondContact O-CB 3.45Å; V871-R875 PolarHBondContact O-N 2.83Å; V871-L883 WeakPolarHBondContact O-CD2 3.46Å; V871-I885 HydrophobicContact CB-CG2 4.46Å; V871-I885 HydrophobicContact CG1-CG2 4.03Å; V871-A912 HydrophobicContact CG2-CB 3.8Å; V871-C915 HydrophobicContact CB-CB 4.17Å; V871-C915 HydrophobicContact CG2-CB 3.82Å; V871-V917 HydrophobicContact CB-CG2 4.25Å; V871-V917 HydrophobicContact CG1-CG1 4.49Å; V871-V917 HydrophobicContact CG1-CG2 4Å; V871-V917 HydrophobicContact CG2-CG2 4.05Å |
| 872 | D | 98.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.5 | -35.4 | 172.9 | -93.2 | -33.1 | 0 | 0 | 0 | 112.2 | K492 A868 V870 R875 E876 | K492-D872 VanDerWaalsContact CE-OD2 3.31Å; K492-D872 WeakPolarHBondContact CE-OD2 3.26Å; K492-D872 IonicContact NZ-OD2 3.79Å; K492-D872 PolarHBondContact NZ-OD2 2.97Å; A868-D872 WeakPolarHBondContact O-CB 3.23Å; A868-D872 PolarHBondContact O-N 3.38Å; A868-D872 VanDerWaalsContact O-N 3.12Å; V870-D872 PolarHBondContact O-N 2.79Å; D872-R875 WeakPolarHBondContact O-CB 3.35Å; D872-R875 PolarHBondContact O-N 2.75Å; D872-R875 IonicContact OD1-CZ 3.8Å; D872-R875 IonicContact OD1-NE 2.79Å; D872-R875 PolarHBondContact OD1-NE 3.43Å; D872-R875 IonicContact OD1-NH2 2.78Å; D872-R875 PolarHBondContact OD1-NH2 2.85Å; D872-E876 WeakPolarHBondContact O-CB 3.33Å; D872-E876 VanDerWaalsContact O-CG 3.23Å; D872-E876 WeakPolarHBondContact O-CG 3.45Å; D872-E876 PolarHBondContact O-N 3.06Å |
| 873 | K | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -50.4 | 172.4 | -178.1 | 176 | -164.9 | -48.5 | 0 | 111.5 | L499 E500 Y679 E681 A869 V870 V871 R875 E876 D877 | L499-K873 HydrophobicContact CB-CD 4.32Å; L499-K873 HydrophobicContact CD1-CD 4.26Å; E500-K873 WeakPolarHBondContact OE1-CE 3.47Å; E500-K873 IonicContact OE1-NZ 2.73Å; Y679-K873 WeakPolarHBondContact OH-CD 3.29Å; E681-K873 IonicContact OE1-NZ 2.96Å; E681-K873 IonicContact OE2-NZ 3.27Å; E681-K873 PolarHBondContact OE2-NZ 3.06Å; A869-K873 VanDerWaalsContact O-CB 3.25Å; A869-K873 WeakPolarHBondContact O-CB 3.48Å; A869-K873 PolarHBondContact O-N 2.82Å; V870-K873 WeakPolarHBondContact O-CB 3.37Å; V870-K873 PolarHBondContact O-N 2.97Å; V870-K873 VanDerWaalsContact O-N 3.15Å; V871-K873 VanDerWaalsContact C-N 3.33Å; K873-R875 VanDerWaalsContact C-N 3.28Å; K873-R875 PolarHBondContact O-N 2.98Å; K873-E876 PolarHBondContact O-N 3.31Å; K873-D877 VanDerWaalsContact CG-OD2 3.27Å; K873-D877 WeakPolarHBondContact CG-OD2 3.16Å; K873-D877 IonicContact NZ-OD1 3.29Å; K873-D877 IonicContact NZ-OD2 3.76Å; K873-D877 PolarHBondContact NZ-OD2 3.22Å; K873-D877 WeakPolarHBondContact O-CB 3.34Å; K873-D877 PolarHBondContact O-N 3.2Å |
| 874 | I | 98 | Very high | 97.6 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 177.3 | -65.1 | 167.9 | 0 | 0 | 0 | 110.9 | V667 Y679 V870 V871 R878 L883 I885 | V667-I874 HydrophobicContact CG2-CD1 3.68Å; Y679-I874 HydrophobicContact CD2-CD1 3.8Å; Y679-I874 HydrophobicContact CD2-CG1 3.68Å; Y679-I874 HydrophobicContact CE2-CG1 4.15Å; Y679-I874 HydrophobicContact CG-CD1 4.15Å; Y679-I874 HydrophobicContact CG-CG1 4.47Å; V870-I874 HydrophobicContact CG1-CD1 4.01Å; V870-I874 WeakPolarHBondContact O-CG1 3.42Å; V870-I874 PolarHBondContact O-N 3.45Å; V871-I874 PolarHBondContact O-N 3.44Å; I874-R878 WeakPolarHBondContact O-CB 3.44Å; I874-R878 WeakPolarHBondContact O-CD 3.44Å; I874-R878 VanDerWaalsContact O-CG 3.24Å; I874-R878 WeakPolarHBondContact O-CG 3.37Å; I874-R878 PolarHBondContact O-N 2.94Å; I874-L883 HydrophobicContact CB-CD2 4.03Å; I874-L883 HydrophobicContact CG2-CD1 4.47Å; I874-L883 HydrophobicContact CG2-CD2 3.84Å; I874-I885 HydrophobicContact CD1-CD1 3.72Å; I874-I885 HydrophobicContact CG2-CD1 4.13Å |
| 875 | R | 98.2 | Very high | 97.6 | Very high | 39 Ų | 39 | 35.4 Ų | 35.4 | 15% | 0.147 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -48.8 | 177.6 | -178.4 | -173.4 | 63.4 | 71.8 | 5 | 111.4 | V871 D872 K873 R878 G879 L880 L883 | V871-R875 WeakPolarHBondContact O-CB 3.45Å; V871-R875 PolarHBondContact O-N 2.83Å; D872-R875 WeakPolarHBondContact O-CB 3.35Å; D872-R875 PolarHBondContact O-N 2.75Å; D872-R875 IonicContact OD1-CZ 3.8Å; D872-R875 IonicContact OD1-NE 2.79Å; D872-R875 PolarHBondContact OD1-NE 3.43Å; D872-R875 IonicContact OD1-NH2 2.78Å; D872-R875 PolarHBondContact OD1-NH2 2.85Å; K873-R875 VanDerWaalsContact C-N 3.28Å; K873-R875 PolarHBondContact O-N 2.98Å; R875-R878 PolarHBondContact O-N 3.49Å; R875-G879 PolarHBondContact O-N 3.36Å; R875-L880 HydrophobicContact CG-CB 4.03Å; R875-L880 WeakPolarHBondContact CG-O 3.2Å; R875-L880 PolarHBondContact NH1-O 2.94Å; R875-L880 PolarHBondContact O-N 2.89Å; R875-L883 HydrophobicContact CB-CB 3.82Å; R875-L883 HydrophobicContact CB-CD2 3.99Å; R875-L883 HydrophobicContact CG-CB 3.91Å |
| 876 | E | 97.4 | Very high | 97.6 | Very high | 89 Ų | 89 | 35.5 Ų | 35.5 | 42% | 0.416 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -69.1 | -42.6 | -177.9 | -73.2 | 168.2 | -173.3 | 0 | 0 | 112.8 | R496 D872 K873 R878 G879 | R496-E876 IonicContact CZ-OE2 3.57Å; R496-E876 IonicContact NH1-OE2 3.67Å; R496-E876 PolarHBondContact NH1-OE2 3.44Å; R496-E876 IonicContact NH2-OE2 3.18Å; R496-E876 PolarHBondContact NH2-OE2 2.85Å; D872-E876 WeakPolarHBondContact O-CB 3.33Å; D872-E876 VanDerWaalsContact O-CG 3.23Å; D872-E876 WeakPolarHBondContact O-CG 3.45Å; D872-E876 PolarHBondContact O-N 3.06Å; K873-E876 PolarHBondContact O-N 3.31Å; E876-R878 PolarHBondContact O-N 3.04Å; E876-G879 PolarHBondContact O-N 3.18Å |
| 877 | D | 95.4 | Very high | 97.6 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 14% | 0.144 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -29.6 | 177.5 | -77.1 | -40.6 | 0 | 0 | 0 | 112.3 | E682 R684 N685 K873 | E682-D877 HydrophobicContact CG-CB 4.45Å; R684-D877 PolarHBondContact NH2-O 2.96Å; N685-D877 VanDerWaalsContact ND2-CG 3.27Å; N685-D877 PolarHBondContact ND2-OD1 2.88Å; N685-D877 PolarHBondContact ND2-OD2 2.85Å; K873-D877 VanDerWaalsContact CG-OD2 3.27Å; K873-D877 WeakPolarHBondContact CG-OD2 3.16Å; K873-D877 IonicContact NZ-OD1 3.29Å; K873-D877 IonicContact NZ-OD2 3.76Å; K873-D877 PolarHBondContact NZ-OD2 3.22Å; K873-D877 WeakPolarHBondContact O-CB 3.34Å; K873-D877 PolarHBondContact O-N 3.2Å |
| 878 | R | 94.9 | Very high | 97.5 | Very high | 65 Ų | 65 | 35.5 Ų | 35.5 | 25% | 0.245 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -3.9 | 176.1 | -65 | 174.1 | -170.7 | -174.4 | 6.4 | 113.4 | E666 K731 I874 R875 E876 L880 | E666-R878 IonicContact OE1-CZ 3.29Å; E666-R878 IonicContact OE1-NH1 2.64Å; E666-R878 IonicContact OE1-NH2 3.46Å; E666-R878 PolarHBondContact OE1-NH2 3.4Å; E666-R878 IonicContact OE2-CZ 3.46Å; E666-R878 IonicContact OE2-NH1 3.65Å; E666-R878 PolarHBondContact OE2-NH1 3.29Å; E666-R878 IonicContact OE2-NH2 3.89Å; E666-R878 PolarHBondContact OE2-NH2 3.48Å; K731-R878 VanDerWaalsContact NZ-NH2 3.19Å; I874-R878 WeakPolarHBondContact O-CB 3.44Å; I874-R878 WeakPolarHBondContact O-CD 3.44Å; I874-R878 VanDerWaalsContact O-CG 3.24Å; I874-R878 WeakPolarHBondContact O-CG 3.37Å; I874-R878 PolarHBondContact O-N 2.94Å; R875-R878 PolarHBondContact O-N 3.49Å; E876-R878 PolarHBondContact O-N 3.04Å; R878-L880 VanDerWaalsContact C-N 3.3Å; R878-L880 HydrophobicContact CB-CD1 3.72Å; R878-L880 HydrophobicContact CB-CG 3.67Å; R878-L880 PolarHBondContact O-N 2.69Å |
| 879 | G | 95.3 | Very high | 97.4 | Very high | 67 Ų | 67 | 35.5 Ų | 35.5 | 69% | 0.691 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 35.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R875 E876 | R875-G879 PolarHBondContact O-N 3.36Å; E876-G879 PolarHBondContact O-N 3.18Å |
| 880 | L | 96.2 | Very high | 97.1 | Very high | 67 Ų | 67 | 36.7 Ų | 36.7 | 35% | 0.351 | 19% | 0.192 | S | C | . | . | trans | -96.2 | 138.2 | -176.6 | -60.9 | 173.4 | 0 | 0 | 0 | 111.6 | R875 R878 L883 | R875-L880 HydrophobicContact CG-CB 4.03Å; R875-L880 WeakPolarHBondContact CG-O 3.2Å; R875-L880 PolarHBondContact NH1-O 2.94Å; R875-L880 PolarHBondContact O-N 2.89Å; R878-L880 VanDerWaalsContact C-N 3.3Å; R878-L880 HydrophobicContact CB-CD1 3.72Å; R878-L880 HydrophobicContact CB-CG 3.67Å; R878-L880 PolarHBondContact O-N 2.69Å; L880-L883 HydrophobicContact CD1-CD1 3.99Å | ||
| 881 | D | 95.9 | Very high | 96.7 | Very high | 144 Ų | 144 | 37.2 Ų | 37.2 | 77% | 0.77 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -70.7 | -37.9 | 170.8 | -67.9 | -33.9 | 0 | 0 | 0 | 111.5 | ||
| 882 | R | 97.4 | Very high | 96.3 | Very high | 174 Ų | 174 | 40 Ų | 40 | 66% | 0.657 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -135.9 | 144.7 | 176.4 | -65.9 | -174.8 | 69.5 | 151.5 | 2.4 | 110.9 | Q914 | R882-Q914 VanDerWaalsContact CA-O 3.29Å; R882-Q914 WeakPolarHBondContact CA-O 3.39Å |
| 883 | L | 97.8 | Very high | 96 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.2 | 177.3 | 176.8 | 67.2 | 0 | 0 | 0 | 109.8 | V871 I874 R875 L880 I885 Q914 C915 D916 | V871-L883 WeakPolarHBondContact O-CD2 3.46Å; I874-L883 HydrophobicContact CB-CD2 4.03Å; I874-L883 HydrophobicContact CG2-CD1 4.47Å; I874-L883 HydrophobicContact CG2-CD2 3.84Å; R875-L883 HydrophobicContact CB-CB 3.82Å; R875-L883 HydrophobicContact CB-CD2 3.99Å; R875-L883 HydrophobicContact CG-CB 3.91Å; L880-L883 HydrophobicContact CD1-CD1 3.99Å; L883-I885 HydrophobicContact CD1-CB 4.4Å; L883-I885 HydrophobicContact CD2-CB 4.12Å; L883-I885 HydrophobicContact CD2-CD1 4.08Å; L883-I885 HydrophobicContact CD2-CG2 3.96Å; L883-I885 HydrophobicContact CG-CB 4.01Å; L883-I885 HydrophobicContact CG-CG2 4.12Å; L883-Q914 PolarHBondContact N-O 3.14Å; L883-C915 CarbonylContact O-C 3.56Å; L883-C915 WeakPolarHBondContact O-CA 3.22Å; L883-D916 PolarHBondContact O-N 2.94Å |
| 884 | S | 98.1 | Very high | 95.9 | Very high | 49 Ų | 49 | 40 Ų | 40 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.8 | 165.1 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | K664 D916 | K664-S884 PolarHBondContact NZ-OG 3.08Å; K664-S884 VanDerWaalsContact NZ-OG 3.07Å; S884-D916 WeakPolarHBondContact CA-O 3.35Å |
| 885 | I | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 149.4 | -171.5 | -167.6 | 164 | 0 | 0 | 0 | 110.8 | E666 V667 V871 I874 L883 D916 V917 T918 | E666-I885 HydrophobicContact CB-CD1 4.04Å; E666-I885 HydrophobicContact CB-CG1 4.39Å; V667-I885 HydrophobicContact CG2-CD1 3.77Å; V667-I885 HydrophobicContact CG2-CG1 4.38Å; V871-I885 HydrophobicContact CB-CG2 4.46Å; V871-I885 HydrophobicContact CG1-CG2 4.03Å; I874-I885 HydrophobicContact CD1-CD1 3.72Å; I874-I885 HydrophobicContact CG2-CD1 4.13Å; L883-I885 HydrophobicContact CD1-CB 4.4Å; L883-I885 HydrophobicContact CD2-CB 4.12Å; L883-I885 HydrophobicContact CD2-CD1 4.08Å; L883-I885 HydrophobicContact CD2-CG2 3.96Å; L883-I885 HydrophobicContact CG-CB 4.01Å; L883-I885 HydrophobicContact CG-CG2 4.12Å; I885-D916 PolarHBondContact N-O 3.19Å; I885-V917 HydrophobicContact CG2-CG1 4.44Å; I885-V917 HydrophobicContact CG2-CG2 4.1Å; I885-V917 WeakPolarHBondContact O-CA 3.37Å; I885-T918 PolarHBondContact O-N 2.96Å |
| 886 | T | 98.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 141.2 | 175.1 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | D662 K664 C665 E666 T918 L920 | D662-T886 HydrophobicContact CB-CG2 4.31Å; D662-T886 VanDerWaalsContact OD2-CB 3.29Å; D662-T886 WeakPolarHBondContact OD2-CB 3.49Å; D662-T886 WeakPolarHBondContact OD2-CG2 3.35Å; D662-T886 PolarHBondContact OD2-OG1 3.37Å; K664-T886 PolarHBondContact O-N 3.27Å; C665-T886 WeakPolarHBondContact CA-O 3.44Å; C665-T886 HydrophobicContact CB-CG2 4Å; E666-T886 PolarHBondContact N-O 3.12Å; T886-T918 CarbonylContact C-O 3.48Å; T886-T918 VanDerWaalsContact CA-O 3.28Å; T886-T918 WeakPolarHBondContact CA-O 3.23Å; T886-T918 HydrophobicContact CG2-CG2 4.48Å; T886-L920 HydrophobicContact CG2-CB 3.89Å |
| 887 | V | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.8 | 174 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | V667 M669 M867 V889 V917 T918 F919 L920 | V667-V887 HydrophobicContact CB-CB 4.37Å; V667-V887 HydrophobicContact CB-CG1 4.24Å; V667-V887 HydrophobicContact CB-CG2 3.99Å; V667-V887 HydrophobicContact CG1-CG1 4.01Å; V667-V887 HydrophobicContact CG1-CG2 4.19Å; V667-V887 HydrophobicContact CG2-CG2 4.5Å; V667-V887 CarbonylContact O-C 3.07Å; V667-V887 WeakPolarHBondContact O-CA 3.47Å; M669-V887 HydrophobicContact CB-CG1 4.01Å; M867-V887 HydrophobicContact CE-CB 4.48Å; M867-V887 HydrophobicContact CE-CG1 3.56Å; M867-V887 HydrophobicContact CE-CG2 4.12Å; M867-V887 HydrophobicContact SD-CG1 4.36Å; M867-V887 HydrophobicContact SD-CG2 3.83Å; V887-V889 HydrophobicContact CG1-CG2 3.85Å; V887-V917 HydrophobicContact CG2-CG1 3.53Å; V887-T918 PolarHBondContact N-O 3.18Å; V887-F919 HydrophobicContact CB-CD1 3.74Å; V887-F919 HydrophobicContact CB-CE1 3.99Å; V887-F919 HydrophobicContact CB-CG 4.41Å; V887-F919 HydrophobicContact CG1-CD1 3.94Å; V887-F919 HydrophobicContact CG1-CE1 4.04Å; V887-F919 HydrophobicContact CG2-CD1 4.23Å; V887-F919 HydrophobicContact CG2-CE1 4.03Å; V887-F919 HydrophobicContact CG2-CZ 4.47Å; V887-F919 WeakPolarHBondContact O-CA 3.48Å; V887-L920 PolarHBondContact O-N 2.92Å |
| 888 | G | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 126.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | C658 C665 V667 G668 M669 L920 | C658-G888 WeakPolarHBondContact SG-CA 3.44Å; C665-G888 PolarHBondContact SG-N 3.3Å; C665-G888 VanDerWaalsContact SG-N 3.44Å; V667-G888 PolarHBondContact O-N 3.32Å; G668-G888 CarbonylContact C-O 3.58Å; G668-G888 WeakPolarHBondContact CA-O 3.49Å; M669-G888 PolarHBondContact N-O 3.38Å; G888-L920 CarbonylContact C-O 3.47Å; G888-L920 WeakPolarHBondContact CA-O 3.44Å |
| 889 | V | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 137.4 | -178 | -166.3 | 0 | 0 | 0 | 0 | 112 | M669 V887 Y894 F919 L920 P921 S922 | M669-V889 HydrophobicContact CB-CG1 4.47Å; M669-V889 HydrophobicContact CB-CG2 4.44Å; M669-V889 VanDerWaalsContact O-CA 3.32Å; M669-V889 WeakPolarHBondContact O-CA 3.35Å; V887-V889 HydrophobicContact CG1-CG2 3.85Å; V889-Y894 HydrophobicContact CB-CD1 4.21Å; V889-Y894 HydrophobicContact CB-CE1 4.09Å; V889-Y894 HydrophobicContact CG1-CD1 3.7Å; V889-Y894 HydrophobicContact CG1-CD2 3.71Å; V889-Y894 HydrophobicContact CG1-CE1 4Å; V889-Y894 HydrophobicContact CG1-CE2 3.98Å; V889-Y894 HydrophobicContact CG1-CG 3.55Å; V889-Y894 HydrophobicContact CG2-CE1 4.48Å; V889-Y894 HydrophobicContact CG2-CE2 4.39Å; V889-F919 HydrophobicContact CG2-CB 4.28Å; V889-F919 HydrophobicContact CG2-CD1 3.64Å; V889-F919 HydrophobicContact CG2-CG 4.46Å; V889-L920 PolarHBondContact N-O 3.33Å; V889-P921 CarbonylContact O-C 3.58Å; V889-P921 VanDerWaalsContact O-CA 3.3Å; V889-P921 WeakPolarHBondContact O-CA 3.35Å; V889-S922 PolarHBondContact O-N 2.63Å |
| 890 | D | 92.8 | Very high | 95.3 | Very high | 27 Ų | 27 | 41.2 Ų | 41.2 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 167.6 | 166.9 | -162.7 | 7 | 0 | 0 | 0 | 111.1 | T654 M669 I670 A671 K895 G925 | T654-D890 HydrophobicContact CG2-CB 3.89Å; M669-D890 PolarHBondContact O-N 3.15Å; I670-D890 CarbonylContact C-O 3.56Å; I670-D890 WeakPolarHBondContact CA-O 3.31Å; I670-D890 HydrophobicContact CD1-CB 3.77Å; A671-D890 PolarHBondContact N-O 3.05Å; D890-K895 WeakPolarHBondContact OD1-CE 3.45Å; D890-K895 IonicContact OD1-NZ 2.82Å; D890-K895 PolarHBondContact OD1-NZ 3.25Å; D890-G925 VanDerWaalsContact OD2-CA 3.28Å; D890-G925 WeakPolarHBondContact OD2-CA 3.31Å |
| 891 | G | 90.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | trans | 122.3 | 143 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A671 L893 Y894 K895 | A671-G891 CarbonylContact O-C 3.58Å; A671-G891 VanDerWaalsContact O-CA 3.24Å; A671-G891 WeakPolarHBondContact O-CA 3.37Å; G891-L893 VanDerWaalsContact C-N 3.31Å; G891-L893 PolarHBondContact O-N 2.85Å; G891-Y894 PolarHBondContact O-N 3.23Å; G891-K895 WeakPolarHBondContact O-CG 3.45Å; G891-K895 PolarHBondContact O-N 3.34Å; G891-K895 VanDerWaalsContact O-N 3.11Å | ||
| 892 | A | 89.7 | Confident | 95.5 | Very high | 58 Ų | 58 | 37.4 Ų | 37.4 | 48% | 0.479 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.6 | -35.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | K895 L896 | A892-K895 PolarHBondContact O-N 2.98Å; A892-L896 HydrophobicContact CB-CD1 4.15Å; A892-L896 WeakPolarHBondContact O-CB 3.35Å; A892-L896 WeakPolarHBondContact O-CG 3.39Å; A892-L896 PolarHBondContact O-N 2.91Å |
| 893 | L | 92.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.5 | -46.2 | 179.1 | 177 | 65.5 | 0 | 0 | 0 | 110.7 | A671 T774 L779 T813 G891 K895 H897 F900 | A671-L893 WeakPolarHBondContact O-CB 3.47Å; A671-L893 PolarHBondContact O-N 3.42Å; T774-L893 WeakPolarHBondContact O-CD2 3.34Å; L779-L893 HydrophobicContact CD1-CD1 4.05Å; L779-L893 HydrophobicContact CD1-CD2 3.76Å; T813-L893 HydrophobicContact CG2-CB 4.35Å; T813-L893 HydrophobicContact CG2-CD1 3.68Å; G891-L893 VanDerWaalsContact C-N 3.31Å; G891-L893 PolarHBondContact O-N 2.85Å; L893-K895 PolarHBondContact O-N 2.74Å; L893-H897 HydrophobicContact CD1-CB 4.02Å; L893-H897 WeakPolarHBondContact O-CB 3.24Å; L893-H897 PolarHBondContact O-N 3.39Å; L893-F900 HydrophobicContact CD1-CD2 4.16Å; L893-F900 HydrophobicContact CD2-CD2 3.97Å; L893-F900 HydrophobicContact CD2-CE2 3.58Å; L893-F900 HydrophobicContact CD2-CZ 3.91Å; L893-F900 HydrophobicContact CG-CD2 3.91Å; L893-F900 HydrophobicContact CG-CE2 4.03Å; L893-F900 HydrophobicContact CG-CG 4.18Å; L893-F900 HydrophobicContact CG-CZ 4.4Å |
| 894 | Y | 94.9 | Very high | 95.6 | Very high | 9 Ų | 9 | 29.6 Ų | 29.6 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 177.4 | -173.4 | -89.5 | 0 | 0 | 0 | 113 | A671 V889 G891 F900 L904 K905 F919 P921 | A671-Y894 PolarHBondContact O-N 2.84Å; A671-Y894 VanDerWaalsContact O-N 3.11Å; V889-Y894 HydrophobicContact CB-CD1 4.21Å; V889-Y894 HydrophobicContact CB-CE1 4.09Å; V889-Y894 HydrophobicContact CG1-CD1 3.7Å; V889-Y894 HydrophobicContact CG1-CD2 3.71Å; V889-Y894 HydrophobicContact CG1-CE1 4Å; V889-Y894 HydrophobicContact CG1-CE2 3.98Å; V889-Y894 HydrophobicContact CG1-CG 3.55Å; V889-Y894 HydrophobicContact CG2-CE1 4.48Å; V889-Y894 HydrophobicContact CG2-CE2 4.39Å; G891-Y894 PolarHBondContact O-N 3.23Å; Y894-F900 HydrophobicContact CD2-CD1 4.27Å; Y894-L904 HydrophobicContact CE2-CD1 4.44Å; Y894-K905 WeakPolarHBondContact OH-CE 3.43Å; Y894-F919 VanDerWaalsContact OH-CB 3.29Å; Y894-F919 WeakPolarHBondContact OH-CB 3.31Å; Y894-P921 HydrophobicContact CE1-CG 4.35Å |
| 895 | K | 92.1 | Very high | 95.6 | Very high | 89 Ų | 89 | 31.6 Ų | 31.6 | 39% | 0.387 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -79.6 | -38.1 | -174 | -72.2 | 176.4 | 169.5 | 176.2 | 0 | 114 | D890 G891 A892 L893 S922 | D890-K895 WeakPolarHBondContact OD1-CE 3.45Å; D890-K895 IonicContact OD1-NZ 2.82Å; D890-K895 PolarHBondContact OD1-NZ 3.25Å; G891-K895 WeakPolarHBondContact O-CG 3.45Å; G891-K895 PolarHBondContact O-N 3.34Å; G891-K895 VanDerWaalsContact O-N 3.11Å; A892-K895 PolarHBondContact O-N 2.98Å; L893-K895 PolarHBondContact O-N 2.74Å; K895-S922 WeakPolarHBondContact CE-O 3.38Å; K895-S922 PolarHBondContact NZ-O 3.25Å |
| 896 | L | 91.4 | Very high | 95.6 | Very high | 124 Ų | 124 | 36.6 Ų | 36.6 | 65% | 0.649 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -102.1 | -24.4 | -169.8 | -55.8 | 178.8 | 0 | 0 | 0 | 113.3 | A892 | A892-L896 HydrophobicContact CB-CD1 4.15Å; A892-L896 WeakPolarHBondContact O-CB 3.35Å; A892-L896 WeakPolarHBondContact O-CG 3.39Å; A892-L896 PolarHBondContact O-N 2.91Å |
| 897 | H | 94.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | trans | -74.7 | 130.1 | -179.3 | -164.6 | -79 | 0 | 0 | 0 | 110.6 | E820 S856 L893 H899 F900 | E820-H897 VanDerWaalsContact CD-CE1 3.5Å; E820-H897 IonicContact OE1-CE1 3.76Å; E820-H897 IonicContact OE1-NE2 3.98Å; E820-H897 PolarHBondContact OE1-NE2 2.91Å; E820-H897 VanDerWaalsContact OE1-NE2 3.13Å; E820-H897 IonicContact OE2-CE1 3.77Å; E820-H897 PolarHBondContact OE2-CE1 3.23Å; E820-H897 VanDerWaalsContact OE2-CE1 3.3Å; E820-H897 IonicContact OE2-NE2 2.98Å; S856-H897 VanDerWaalsContact CB-NE2 3.33Å; S856-H897 WeakPolarHBondContact CB-NE2 3.33Å; S856-H897 PolarHBondContact OG-CE1 3.47Å; L893-H897 HydrophobicContact CD1-CB 4.02Å; L893-H897 WeakPolarHBondContact O-CB 3.24Å; L893-H897 PolarHBondContact O-N 3.39Å; H897-H899 VanDerWaalsContact C-N 3.31Å; H897-H899 PolarHBondContact ND1-N 3.19Å; H897-H899 PolarHBondContact O-N 3.4Å; H897-F900 HydrophobicContact CB-CB 3.76Å; H897-F900 PolarHBondContact ND1-N 3.15Å | ||
| 898 | P | 94.7 | Very high | 95.6 | Very high | 46 Ų | 46 | 37 Ų | 37 | 30% | 0.299 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -39.1 | -172.3 | 21.4 | -32.7 | 0 | 0 | 0 | 113.1 | E820 | E820-P898 HydrophobicContact CB-CG 3.86Š|
| 899 | H | 96.5 | Very high | 95.6 | Very high | 51 Ų | 51 | 39 Ų | 39 | 24% | 0.236 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -15.7 | -169.5 | -54.2 | -52.2 | 0 | 0 | 0 | 115.3 | E820 D822 H897 S901 Q902 V903 | E820-H899 PolarHBondContact O-NE2 3.09Å; E820-H899 IonicContact OE2-CD2 2.64Å; D822-H899 IonicContact OD1-CE1 2.78Å; D822-H899 PolarHBondContact OD1-CE1 2.76Å; D822-H899 IonicContact OD1-NE2 3.67Å; D822-H899 PolarHBondContact OD1-NE2 2.97Å; D822-H899 IonicContact OD2-CE1 2.67Å; D822-H899 PolarHBondContact OD2-CE1 2.95Å; H897-H899 VanDerWaalsContact C-N 3.31Å; H897-H899 PolarHBondContact ND1-N 3.19Å; H897-H899 PolarHBondContact O-N 3.4Å; H899-S901 PolarHBondContact O-N 3.16Å; H899-Q902 PolarHBondContact O-N 3.2Å; H899-V903 WeakPolarHBondContact O-CG2 3.43Å; H899-V903 PolarHBondContact O-N 2.89Å |
| 900 | F | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.3 | -47.8 | -164.8 | -172.5 | -81.8 | 0 | 0 | 0 | 111.8 | A671 A859 A860 C863 L893 Y894 H897 Q902 V903 L904 | A671-F900 HydrophobicContact CB-CE1 4.1Å; A859-F900 HydrophobicContact CB-CE2 3.86Å; A860-F900 HydrophobicContact CB-CD1 4.31Å; A860-F900 HydrophobicContact CB-CD2 3.71Å; A860-F900 HydrophobicContact CB-CE1 4.45Å; A860-F900 HydrophobicContact CB-CE2 3.87Å; A860-F900 HydrophobicContact CB-CG 3.94Å; A860-F900 HydrophobicContact CB-CZ 4.24Å; A860-F900 WeakPolarHBondContact CB-O 3.44Å; C863-F900 HydrophobicContact CB-CZ 4.38Å; L893-F900 HydrophobicContact CD1-CD2 4.16Å; L893-F900 HydrophobicContact CD2-CD2 3.97Å; L893-F900 HydrophobicContact CD2-CE2 3.58Å; L893-F900 HydrophobicContact CD2-CZ 3.91Å; L893-F900 HydrophobicContact CG-CD2 3.91Å; L893-F900 HydrophobicContact CG-CE2 4.03Å; L893-F900 HydrophobicContact CG-CG 4.18Å; L893-F900 HydrophobicContact CG-CZ 4.4Å; Y894-F900 HydrophobicContact CD2-CD1 4.27Å; H897-F900 HydrophobicContact CB-CB 3.76Å; H897-F900 PolarHBondContact ND1-N 3.15Å; F900-Q902 VanDerWaalsContact C-N 3.33Å; F900-Q902 PolarHBondContact O-N 2.59Å; F900-V903 PolarHBondContact O-N 3.22Å; F900-L904 HydrophobicContact CE1-CD1 3.9Å; F900-L904 VanDerWaalsContact O-CB 3.29Å; F900-L904 WeakPolarHBondContact O-CB 3.26Å; F900-L904 PolarHBondContact O-N 3.4Å |
| 901 | S | 97.5 | Very high | 95.9 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.6 | -37.3 | -178.4 | 65.3 | 0 | 0 | 0 | 0 | 112.3 | H899 K905 | H899-S901 PolarHBondContact O-N 3.16Å; S901-K905 WeakPolarHBondContact O-CD 3.47Å; S901-K905 WeakPolarHBondContact O-CG 3.41Å; S901-K905 PolarHBondContact O-N 3.47Å; S901-K905 VanDerWaalsContact O-N 3.14Å |
| 902 | Q | 98.1 | Very high | 96.3 | Very high | 103 Ų | 103 | 41.9 Ų | 41.9 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.8 | -53.2 | 177.2 | 179 | 179.3 | -14.7 | 0 | 0 | 111.2 | H899 F900 L904 K905 E906 | H899-Q902 PolarHBondContact O-N 3.2Å; F900-Q902 VanDerWaalsContact C-N 3.33Å; F900-Q902 PolarHBondContact O-N 2.59Å; Q902-L904 VanDerWaalsContact C-N 3.26Å; Q902-L904 PolarHBondContact O-N 3.4Å; Q902-K905 WeakPolarHBondContact O-CB 3.28Å; Q902-K905 PolarHBondContact O-N 3.34Å; Q902-K905 VanDerWaalsContact O-N 3.11Å; Q902-E906 HydrophobicContact CG-CG 4.42Å; Q902-E906 VanDerWaalsContact CG-OE1 3.3Å; Q902-E906 WeakPolarHBondContact CG-OE1 3.29Å; Q902-E906 PolarHBondContact NE2-OE1 3.45Å; Q902-E906 WeakPolarHBondContact O-CG 3.46Å; Q902-E906 PolarHBondContact O-N 2.76Å |
| 903 | V | 98.5 | Very high | 96.6 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 11% | 0.109 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.2 | -38.9 | -179.4 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | R857 A860 Q861 H899 F900 T907 | R857-V903 HydrophobicContact CG-CG1 4.09Å; A860-V903 HydrophobicContact CB-CB 3.78Å; A860-V903 HydrophobicContact CB-CG1 3.67Å; Q861-V903 HydrophobicContact CG-CG1 3.66Å; H899-V903 WeakPolarHBondContact O-CG2 3.43Å; H899-V903 PolarHBondContact O-N 2.89Å; F900-V903 PolarHBondContact O-N 3.22Å; V903-T907 WeakPolarHBondContact O-CB 3.35Å; V903-T907 PolarHBondContact O-N 3.21Å; V903-T907 PolarHBondContact O-OG1 3.5Å |
| 904 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.2 | -51.6 | 174.5 | -177 | 156.7 | 0 | 0 | 0 | 110.8 | M669 A860 C863 Y894 F900 Q902 E906 T907 V908 F919 | M669-L904 HydrophobicContact CE-CD1 3.61Å; M669-L904 HydrophobicContact SD-CD1 4.07Å; A860-L904 HydrophobicContact CB-CB 4.45Å; C863-L904 HydrophobicContact CB-CD1 3.71Å; C863-L904 HydrophobicContact CB-CG 4.39Å; Y894-L904 HydrophobicContact CE2-CD1 4.44Å; F900-L904 HydrophobicContact CE1-CD1 3.9Å; F900-L904 VanDerWaalsContact O-CB 3.29Å; F900-L904 WeakPolarHBondContact O-CB 3.26Å; F900-L904 PolarHBondContact O-N 3.4Å; Q902-L904 VanDerWaalsContact C-N 3.26Å; Q902-L904 PolarHBondContact O-N 3.4Å; L904-E906 PolarHBondContact O-N 3.02Å; L904-T907 PolarHBondContact O-N 2.91Å; L904-V908 HydrophobicContact CD2-CG2 4.14Å; L904-V908 WeakPolarHBondContact O-CG2 3.49Å; L904-V908 PolarHBondContact O-N 3.05Å; L904-F919 HydrophobicContact CD2-CD1 4.21Å; L904-F919 HydrophobicContact CD2-CE1 3.41Å; L904-F919 VanDerWaalsContact CD2-CE1 3.41Å; L904-F919 HydrophobicContact CD2-CE2 4.16Å; L904-F919 HydrophobicContact CD2-CZ 3.38Å |
| 905 | K | 98.6 | Very high | 97.1 | Very high | 91 Ų | 91 | 47.8 Ų | 47.8 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 180 | -72.7 | 168.6 | -171 | -173.3 | 0 | 112.2 | Y894 S901 Q902 T907 V908 G909 F919 | Y894-K905 WeakPolarHBondContact OH-CE 3.43Å; S901-K905 WeakPolarHBondContact O-CD 3.47Å; S901-K905 WeakPolarHBondContact O-CG 3.41Å; S901-K905 PolarHBondContact O-N 3.47Å; S901-K905 VanDerWaalsContact O-N 3.14Å; Q902-K905 WeakPolarHBondContact O-CB 3.28Å; Q902-K905 PolarHBondContact O-N 3.34Å; Q902-K905 VanDerWaalsContact O-N 3.11Å; K905-T907 VanDerWaalsContact C-N 3.29Å; K905-T907 PolarHBondContact O-N 2.94Å; K905-V908 PolarHBondContact O-N 3.1Å; K905-G909 PolarHBondContact O-N 3.46Å; K905-F919 HydrophobicContact CB-CE2 4.49Å; K905-F919 HydrophobicContact CD-CD2 4.34Å; K905-F919 HydrophobicContact CG-CD2 3.58Å; K905-F919 HydrophobicContact CG-CE2 3.82Å; K905-F919 HydrophobicContact CG-CG 4.25Å |
| 906 | E | 98.4 | Very high | 97.3 | Very high | 106 Ų | 106 | 47.9 Ų | 47.9 | 50% | 0.495 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | 176.8 | -72 | 173.5 | -175.6 | 0 | 0 | 111.2 | Q902 L904 G909 L910 | Q902-E906 HydrophobicContact CG-CG 4.42Å; Q902-E906 VanDerWaalsContact CG-OE1 3.3Å; Q902-E906 WeakPolarHBondContact CG-OE1 3.29Å; Q902-E906 PolarHBondContact NE2-OE1 3.45Å; Q902-E906 WeakPolarHBondContact O-CG 3.46Å; Q902-E906 PolarHBondContact O-N 2.76Å; L904-E906 PolarHBondContact O-N 3.02Å; E906-G909 PolarHBondContact O-N 3.21Å; E906-L910 WeakPolarHBondContact O-CB 3.43Å; E906-L910 PolarHBondContact O-N 3.45Å |
| 907 | T | 98.7 | Very high | 97.7 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.9 | -41 | 178.3 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | L488 Q861 V903 L904 K905 L910 M911 | L488-T907 HydrophobicContact CD1-CG2 4.27Å; Q861-T907 HydrophobicContact CB-CG2 4.41Å; Q861-T907 WeakPolarHBondContact O-CG2 3.41Å; V903-T907 WeakPolarHBondContact O-CB 3.35Å; V903-T907 PolarHBondContact O-N 3.21Å; V903-T907 PolarHBondContact O-OG1 3.5Å; L904-T907 PolarHBondContact O-N 2.91Å; K905-T907 VanDerWaalsContact C-N 3.29Å; K905-T907 PolarHBondContact O-N 2.94Å; T907-L910 PolarHBondContact O-N 3.33Å; T907-M911 HydrophobicContact CG2-CG 4.01Å; T907-M911 VanDerWaalsContact O-CB 3.26Å; T907-M911 WeakPolarHBondContact O-CB 3.45Å; T907-M911 WeakPolarHBondContact O-CG 3.27Å; T907-M911 PolarHBondContact O-N 2.89Å |
| 908 | V | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -46.7 | 174 | 177.6 | 0 | 0 | 0 | 0 | 111 | G864 M867 L904 K905 L910 M911 A912 V917 F919 | G864-V908 WeakPolarHBondContact O-CG2 3.42Å; M867-V908 HydrophobicContact CB-CG2 3.83Å; M867-V908 HydrophobicContact CG-CG2 3.78Å; L904-V908 HydrophobicContact CD2-CG2 4.14Å; L904-V908 WeakPolarHBondContact O-CG2 3.49Å; L904-V908 PolarHBondContact O-N 3.05Å; K905-V908 PolarHBondContact O-N 3.1Å; V908-L910 VanDerWaalsContact C-N 3.3Å; V908-L910 PolarHBondContact O-N 3.32Å; V908-M911 PolarHBondContact O-N 2.98Å; V908-A912 PolarHBondContact O-N 3.45Å; V908-V917 HydrophobicContact CG1-CB 4.18Å; V908-V917 HydrophobicContact CG1-CG2 3.84Å; V908-F919 HydrophobicContact CB-CZ 4.41Å; V908-F919 HydrophobicContact CG2-CE2 4.48Å; V908-F919 HydrophobicContact CG2-CZ 3.88Å |
| 909 | G | 97.6 | Very high | 98 | Very high | 44 Ų | 44 | 45 Ų | 45 | 45% | 0.454 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.5 | -38 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K905 E906 | K905-G909 PolarHBondContact O-N 3.46Å; E906-G909 PolarHBondContact O-N 3.21Å |
| 910 | L | 97.6 | Very high | 98 | Very high | 95 Ų | 95 | 44.9 Ų | 44.9 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.5 | -39.7 | 176 | -175.4 | 67.6 | 0 | 0 | 0 | 112.5 | E906 T907 V908 | E906-L910 WeakPolarHBondContact O-CB 3.43Å; E906-L910 PolarHBondContact O-N 3.45Å; T907-L910 PolarHBondContact O-N 3.33Å; V908-L910 VanDerWaalsContact C-N 3.3Å; V908-L910 PolarHBondContact O-N 3.32Å |
| 911 | M | 98.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -89.5 | -26.4 | -171 | -66.4 | -68.6 | 98 | 0 | 0 | 113.6 | Q485 L488 Q489 K492 A868 T907 V908 P913 | Q485-M911 HydrophobicContact CG-CE 3.79Å; L488-M911 HydrophobicContact CB-CE 4.44Å; L488-M911 HydrophobicContact CB-SD 3.64Å; Q489-M911 HydrophobicContact CG-CE 4.4Å; Q489-M911 HydrophobicContact CG-SD 4.07Å; Q489-M911 VanDerWaalsContact NE2-CE 3.3Å; Q489-M911 PolarHBondContact NE2-SD 3.37Å; K492-M911 HydrophobicContact CD-CB 4.46Å; K492-M911 PolarHBondContact NZ-O 3.3Å; A868-M911 HydrophobicContact CB-CB 3.5Å; T907-M911 HydrophobicContact CG2-CG 4.01Å; T907-M911 VanDerWaalsContact O-CB 3.26Å; T907-M911 WeakPolarHBondContact O-CB 3.45Å; T907-M911 WeakPolarHBondContact O-CG 3.27Å; T907-M911 PolarHBondContact O-N 2.89Å; V908-M911 PolarHBondContact O-N 2.98Å; M911-P913 VanDerWaalsContact C-CD 3.49Å |
| 912 | A | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -128.6 | 64 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | A868 V871 V908 Q914 C915 | A868-A912 HydrophobicContact CB-CB 3.91Å; V871-A912 HydrophobicContact CG2-CB 3.8Å; V908-A912 PolarHBondContact O-N 3.45Å; A912-Q914 PolarHBondContact O-N 3.44Å; A912-C915 HydrophobicContact CB-CB 4.19Å; A912-C915 PolarHBondContact O-N 3.34Å | ||
| 913 | P | 97.4 | Very high | 96.4 | Very high | 88 Ų | 88 | 50.7 Ų | 50.7 | 57% | 0.571 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -14.8 | -172.1 | 27.2 | -36.7 | 0 | 0 | 0 | 114.5 | M911 | M911-P913 VanDerWaalsContact C-CD 3.49Š|
| 914 | Q | 98.3 | Very high | 95.1 | Very high | 92 Ų | 92 | 53.7 Ų | 53.7 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -2.7 | 175.8 | -56.1 | -59.4 | 0.9 | 0 | 0 | 113.5 | R882 L883 A912 | R882-Q914 VanDerWaalsContact CA-O 3.29Å; R882-Q914 WeakPolarHBondContact CA-O 3.39Å; L883-Q914 PolarHBondContact N-O 3.14Å; A912-Q914 PolarHBondContact O-N 3.44Å |
| 915 | C | 98.1 | Very high | 94.1 | Very high | 11 Ų | 11 | 53.8 Ų | 53.8 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118.4 | 177.8 | -62.4 | 0 | 0 | 0 | 0 | 109.9 | V871 L883 A912 V917 | V871-C915 HydrophobicContact CB-CB 4.17Å; V871-C915 HydrophobicContact CG2-CB 3.82Å; L883-C915 CarbonylContact O-C 3.56Å; L883-C915 WeakPolarHBondContact O-CA 3.22Å; A912-C915 HydrophobicContact CB-CB 4.19Å; A912-C915 PolarHBondContact O-N 3.34Å; C915-V917 HydrophobicContact CB-CG2 3.79Å; C915-V917 PolarHBondContact O-N 3.5Å |
| 916 | D | 97.7 | Very high | 93.4 | Very high | 92 Ų | 92 | 49.7 Ų | 49.7 | 49% | 0.492 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 97.8 | 168 | -179.1 | 28.3 | 0 | 0 | 0 | 108.8 | L883 S884 I885 | L883-D916 PolarHBondContact O-N 2.94Å; S884-D916 WeakPolarHBondContact CA-O 3.35Å; I885-D916 PolarHBondContact N-O 3.19Å |
| 917 | V | 98.4 | Very high | 92.8 | Very high | 25 Ų | 25 | 44.7 Ų | 44.7 | 15% | 0.152 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 115.3 | -170.6 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | V871 I885 V887 V908 C915 F919 | V871-V917 HydrophobicContact CB-CG2 4.25Å; V871-V917 HydrophobicContact CG1-CG1 4.49Å; V871-V917 HydrophobicContact CG1-CG2 4Å; V871-V917 HydrophobicContact CG2-CG2 4.05Å; I885-V917 HydrophobicContact CG2-CG1 4.44Å; I885-V917 HydrophobicContact CG2-CG2 4.1Å; I885-V917 WeakPolarHBondContact O-CA 3.37Å; V887-V917 HydrophobicContact CG2-CG1 3.53Å; V908-V917 HydrophobicContact CG1-CB 4.18Å; V908-V917 HydrophobicContact CG1-CG2 3.84Å; C915-V917 HydrophobicContact CB-CG2 3.79Å; C915-V917 PolarHBondContact O-N 3.5Å; V917-F919 HydrophobicContact CB-CE2 4.19Å; V917-F919 HydrophobicContact CG1-CD2 4.14Å; V917-F919 HydrophobicContact CG1-CE2 3.61Å; V917-F919 HydrophobicContact CG1-CZ 3.83Å |
| 918 | T | 98.3 | Very high | 92.3 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 132.9 | 171.5 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | I885 T886 V887 | I885-T918 PolarHBondContact O-N 2.96Å; T886-T918 CarbonylContact C-O 3.48Å; T886-T918 VanDerWaalsContact CA-O 3.28Å; T886-T918 WeakPolarHBondContact CA-O 3.23Å; T886-T918 HydrophobicContact CG2-CG2 4.48Å; V887-T918 PolarHBondContact N-O 3.18Å |
| 919 | F | 97.9 | Very high | 91.9 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 9% | 0.088 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.9 | 174.6 | -67 | -96.8 | 0 | 0 | 0 | 109.9 | M867 V887 V889 Y894 L904 K905 V908 V917 | M867-F919 HydrophobicContact CE-CE1 4.24Å; M867-F919 HydrophobicContact CG-CE1 4.24Å; M867-F919 HydrophobicContact CG-CZ 4.07Å; V887-F919 HydrophobicContact CB-CD1 3.74Å; V887-F919 HydrophobicContact CB-CE1 3.99Å; V887-F919 HydrophobicContact CB-CG 4.41Å; V887-F919 HydrophobicContact CG1-CD1 3.94Å; V887-F919 HydrophobicContact CG1-CE1 4.04Å; V887-F919 HydrophobicContact CG2-CD1 4.23Å; V887-F919 HydrophobicContact CG2-CE1 4.03Å; V887-F919 HydrophobicContact CG2-CZ 4.47Å; V887-F919 WeakPolarHBondContact O-CA 3.48Å; V889-F919 HydrophobicContact CG2-CB 4.28Å; V889-F919 HydrophobicContact CG2-CD1 3.64Å; V889-F919 HydrophobicContact CG2-CG 4.46Å; Y894-F919 VanDerWaalsContact OH-CB 3.29Å; Y894-F919 WeakPolarHBondContact OH-CB 3.31Å; L904-F919 HydrophobicContact CD2-CD1 4.21Å; L904-F919 HydrophobicContact CD2-CE1 3.41Å; L904-F919 VanDerWaalsContact CD2-CE1 3.41Å; L904-F919 HydrophobicContact CD2-CE2 4.16Å; L904-F919 HydrophobicContact CD2-CZ 3.38Å; K905-F919 HydrophobicContact CB-CE2 4.49Å; K905-F919 HydrophobicContact CD-CD2 4.34Å; K905-F919 HydrophobicContact CG-CD2 3.58Å; K905-F919 HydrophobicContact CG-CE2 3.82Å; K905-F919 HydrophobicContact CG-CG 4.25Å; V908-F919 HydrophobicContact CB-CZ 4.41Å; V908-F919 HydrophobicContact CG2-CE2 4.48Å; V908-F919 HydrophobicContact CG2-CZ 3.88Å; V917-F919 HydrophobicContact CB-CE2 4.19Å; V917-F919 HydrophobicContact CG1-CD2 4.14Å; V917-F919 HydrophobicContact CG1-CE2 3.61Å; V917-F919 HydrophobicContact CG1-CZ 3.83Å |
| 920 | L | 96.3 | Very high | 91.7 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 108.2 | -178.3 | -176 | 61.9 | 0 | 0 | 0 | 109.8 | C658 E661 D662 T886 V887 G888 V889 S922 | C658-L920 HydrophobicContact CB-CD2 4.07Å; E661-L920 HydrophobicContact CB-CD2 4.41Å; D662-L920 HydrophobicContact CB-CD2 4.31Å; T886-L920 HydrophobicContact CG2-CB 3.89Å; V887-L920 PolarHBondContact O-N 2.92Å; G888-L920 CarbonylContact C-O 3.47Å; G888-L920 WeakPolarHBondContact CA-O 3.44Å; V889-L920 PolarHBondContact N-O 3.33Å; L920-S922 PolarHBondContact O-N 2.68Å |
| 921 | P | 93.8 | Very high | 91.3 | Very high | 61 Ų | 61 | 39.1 Ų | 39.1 | 40% | 0.396 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 129.5 | 175.3 | -16.3 | 29.8 | 0 | 0 | 0 | 110.9 | V889 Y894 E923 | V889-P921 CarbonylContact O-C 3.58Å; V889-P921 VanDerWaalsContact O-CA 3.3Å; V889-P921 WeakPolarHBondContact O-CA 3.35Å; Y894-P921 HydrophobicContact CE1-CG 4.35Å; P921-E923 PolarHBondContact O-N 3.15Å |
| 922 | S | 88.1 | Confident | 91 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | trans | -77.8 | 117.4 | 174.3 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | S657 V889 K895 L920 G925 | S657-S922 PolarHBondContact OG-OG 2.88Å; V889-S922 PolarHBondContact O-N 2.63Å; K895-S922 WeakPolarHBondContact CE-O 3.38Å; K895-S922 PolarHBondContact NZ-O 3.25Å; L920-S922 PolarHBondContact O-N 2.68Å; S922-G925 WeakPolarHBondContact OG-CA 3.47Å; S922-G925 PolarHBondContact OG-N 3.42Å; S922-G925 VanDerWaalsContact OG-N 3.1Å; S922-G925 PolarHBondContact OG-O 2.91Å | ||
| 923 | E | 77.1 | Confident | 90.7 | Very high | 189 Ų | 189 | 39.8 Ų | 39.8 | 88% | 0.883 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -74 | -38.8 | 176.6 | -65.5 | -146.9 | 155.5 | 0 | 0 | 112.6 | P921 | P921-E923 PolarHBondContact O-N 3.15Š|
| 924 | E | 73.1 | Confident | 90.4 | Very high | 82 Ų | 82 | 35.6 Ų | 35.6 | 38% | 0.383 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -95.4 | 3.8 | -174 | -63.3 | -173.5 | 159.7 | 0 | 0 | 113.5 | L548 K928 | L548-E924 HydrophobicContact CD2-CB 3.79Å; L548-E924 HydrophobicContact CD2-CG 3.77Å; E924-K928 HydrophobicContact CB-CB 4.25Å; E924-K928 VanDerWaalsContact OE2-CD 3.29Å; E924-K928 WeakPolarHBondContact OE2-CD 3.45Å; E924-K928 IonicContact OE2-NZ 3.86Å |
| 925 | G | 76.5 | Confident | 89.9 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | 69.1 | -160.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D890 S922 G927 | D890-G925 VanDerWaalsContact OD2-CA 3.28Å; D890-G925 WeakPolarHBondContact OD2-CA 3.31Å; S922-G925 WeakPolarHBondContact OG-CA 3.47Å; S922-G925 PolarHBondContact OG-N 3.42Å; S922-G925 VanDerWaalsContact OG-N 3.1Å; S922-G925 PolarHBondContact OG-O 2.91Å; G925-G927 VanDerWaalsContact C-N 3.26Å; G925-G927 PolarHBondContact O-N 3.32Å |
| 926 | S | 84.8 | Confident | 89.3 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 4% | 0.035 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.7 | -23.4 | 179.2 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | D533 G929 A930 | D533-S926 PolarHBondContact OD1-OG 2.97Å; D533-S926 PolarHBondContact OD2-OG 3.29Å; S926-G929 WeakPolarHBondContact O-CA 3.33Å; S926-G929 PolarHBondContact O-N 3.45Å; S926-G929 VanDerWaalsContact O-N 3.14Å; S926-A930 PolarHBondContact O-N 3.44Å |
| 927 | G | 85.2 | Confident | 88.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.2 | -48.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A531 G925 G929 A930 A931 | A531-G927 WeakPolarHBondContact CB-O 3.4Å; G925-G927 VanDerWaalsContact C-N 3.26Å; G925-G927 PolarHBondContact O-N 3.32Å; G927-G929 PolarHBondContact O-N 2.72Å; G927-A930 PolarHBondContact O-N 2.86Å; G927-A931 PolarHBondContact O-N 3Å; G927-A931 VanDerWaalsContact O-N 3.15Å |
| 928 | K | 87.5 | Confident | 87.7 | Confident | 29 Ų | 29 | 30.2 Ų | 30.2 | 13% | 0.126 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.8 | -42.9 | 174.1 | -175 | -166.3 | -168.2 | 167.7 | 0 | 110.6 | S657 E661 E924 A931 L932 | S657-K928 WeakPolarHBondContact OG-CD 3.48Å; E661-K928 IonicContact OE1-NZ 3.75Å; E661-K928 PolarHBondContact OE1-NZ 2.71Å; E924-K928 HydrophobicContact CB-CB 4.25Å; E924-K928 VanDerWaalsContact OE2-CD 3.29Å; E924-K928 WeakPolarHBondContact OE2-CD 3.45Å; E924-K928 IonicContact OE2-NZ 3.86Å; K928-A931 PolarHBondContact O-N 3.21Å; K928-L932 HydrophobicContact CG-CD1 4.2Å; K928-L932 WeakPolarHBondContact O-CG 3.23Å; K928-L932 PolarHBondContact O-N 3.03Å |
| 929 | G | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G653 S926 G927 A931 L932 I933 | G653-G929 VanDerWaalsContact O-CA 3.27Å; G653-G929 WeakPolarHBondContact O-CA 2.98Å; S926-G929 WeakPolarHBondContact O-CA 3.33Å; S926-G929 PolarHBondContact O-N 3.45Å; S926-G929 VanDerWaalsContact O-N 3.14Å; G927-G929 PolarHBondContact O-N 2.72Å; G929-A931 VanDerWaalsContact C-N 3.33Å; G929-A931 PolarHBondContact O-N 2.81Å; G929-L932 WeakPolarHBondContact O-CB 3.46Å; G929-L932 PolarHBondContact O-N 3.41Å; G929-I933 VanDerWaalsContact O-CG1 3.29Å; G929-I933 WeakPolarHBondContact O-CG1 3.21Å; G929-I933 PolarHBondContact O-N 3.41Å |
| 930 | A | 92.3 | Very high | 85 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.2 | -38.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A531 T594 V648 S926 G927 I933 A934 | A531-A930 HydrophobicContact CB-CB 4.05Å; T594-A930 WeakPolarHBondContact OG1-CB 3.47Å; V648-A930 HydrophobicContact CG2-CB 4.39Å; S926-A930 PolarHBondContact O-N 3.44Å; G927-A930 PolarHBondContact O-N 2.86Å; A930-I933 PolarHBondContact O-N 2.89Å; A930-A934 PolarHBondContact O-N 2.79Å |
| 931 | A | 91.1 | Very high | 83.3 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.7 | -39.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | A531 V544 G927 K928 G929 A934 A935 | A531-A931 HydrophobicContact CB-CB 4.3Å; V544-A931 HydrophobicContact CB-CB 3.55Å; V544-A931 HydrophobicContact CG1-CB 4.03Å; V544-A931 HydrophobicContact CG2-CB 3.27Å; G927-A931 PolarHBondContact O-N 3Å; G927-A931 VanDerWaalsContact O-N 3.15Å; K928-A931 PolarHBondContact O-N 3.21Å; G929-A931 VanDerWaalsContact C-N 3.33Å; G929-A931 PolarHBondContact O-N 2.81Å; A931-A934 WeakPolarHBondContact O-CB 3.02Å; A931-A934 PolarHBondContact O-N 3.18Å; A931-A935 PolarHBondContact O-N 3.27Å |
| 932 | L | 90.1 | Very high | 81.2 | Confident | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 174.4 | -72.8 | 165.1 | 0 | 0 | 0 | 111.5 | P521 E525 Y660 K928 G929 A935 V936 | P521-L932 HydrophobicContact CG-CB 4.27Å; P521-L932 HydrophobicContact CG-CD1 4.17Å; E525-L932 HydrophobicContact CB-CD2 4.33Å; E525-L932 HydrophobicContact CG-CD2 4.3Å; Y660-L932 HydrophobicContact CD2-CD1 4.18Å; Y660-L932 HydrophobicContact CD2-CD2 3.72Å; Y660-L932 HydrophobicContact CE2-CD2 4.03Å; Y660-L932 HydrophobicContact CG-CD1 3.99Å; Y660-L932 HydrophobicContact CG-CD2 4.29Å; K928-L932 HydrophobicContact CG-CD1 4.2Å; K928-L932 WeakPolarHBondContact O-CG 3.23Å; K928-L932 PolarHBondContact O-N 3.03Å; G929-L932 WeakPolarHBondContact O-CB 3.46Å; G929-L932 PolarHBondContact O-N 3.41Å; L932-A935 WeakPolarHBondContact O-CB 3.38Å; L932-A935 PolarHBondContact O-N 3.37Å; L932-V936 WeakPolarHBondContact O-CG2 3.41Å; L932-V936 PolarHBondContact O-N 3.26Å |
| 933 | I | 91.8 | Very high | 79 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -46.6 | 174 | -67.4 | 161.1 | 0 | 0 | 0 | 110.2 | V517 I604 A646 V648 V652 M656 G929 A930 A935 V936 V937 | V517-I933 HydrophobicContact CG2-CD1 4.23Å; V517-I933 HydrophobicContact CG2-CG1 4.3Å; V517-I933 HydrophobicContact CG2-CG2 4.01Å; I604-I933 HydrophobicContact CD1-CG2 4.32Å; A646-I933 HydrophobicContact CB-CG2 3.82Å; V648-I933 HydrophobicContact CB-CD1 4.19Å; V648-I933 HydrophobicContact CG1-CD1 3.43Å; V648-I933 VanDerWaalsContact CG1-CD1 3.43Å; V648-I933 HydrophobicContact CG2-CB 4.28Å; V648-I933 HydrophobicContact CG2-CD1 3.61Å; V648-I933 HydrophobicContact CG2-CG2 4.07Å; V652-I933 HydrophobicContact CG1-CD1 4.02Å; M656-I933 HydrophobicContact CB-CD1 4.36Å; M656-I933 HydrophobicContact CB-CG1 4.23Å; M656-I933 HydrophobicContact CE-CG1 3.86Å; M656-I933 HydrophobicContact CG-CD1 3.84Å; M656-I933 HydrophobicContact CG-CG1 3.74Å; G929-I933 VanDerWaalsContact O-CG1 3.29Å; G929-I933 WeakPolarHBondContact O-CG1 3.21Å; G929-I933 PolarHBondContact O-N 3.41Å; A930-I933 PolarHBondContact O-N 2.89Å; I933-A935 PolarHBondContact O-N 3.38Å; I933-V936 PolarHBondContact O-N 3.12Å; I933-V937 HydrophobicContact CG2-CG2 4.25Å; I933-V937 VanDerWaalsContact O-CG2 3.28Å; I933-V937 WeakPolarHBondContact O-CG2 3.44Å; I933-V937 PolarHBondContact O-N 3.27Å |
| 934 | A | 90.8 | Very high | 79.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.8 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y529 V645 A930 A931 Q938 | Y529-A934 HydrophobicContact CD1-CB 3.75Å; Y529-A934 HydrophobicContact CE1-CB 4.38Å; Y529-A934 HydrophobicContact CG-CB 4.49Å; V645-A934 HydrophobicContact CG2-CB 3.49Å; V645-A934 VanDerWaalsContact CG2-CB 3.49Å; A930-A934 PolarHBondContact O-N 2.79Å; A931-A934 WeakPolarHBondContact O-CB 3.02Å; A931-A934 PolarHBondContact O-N 3.18Å; A934-Q938 WeakPolarHBondContact O-CB 3.27Å; A934-Q938 PolarHBondContact O-N 3.15Å; A934-Q938 VanDerWaalsContact O-N 3.08Å |
| 935 | A | 88.3 | Confident | 79.4 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.8 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | E525 Y529 A931 L932 I933 V937 Q938 Q939 | E525-A935 HydrophobicContact CB-CB 3.84Å; E525-A935 HydrophobicContact CG-CB 4.03Å; Y529-A935 HydrophobicContact CD1-CB 4.42Å; Y529-A935 HydrophobicContact CD2-CB 4.01Å; Y529-A935 VanDerWaalsContact CE1-CA 3.48Å; Y529-A935 HydrophobicContact CE1-CB 3.91Å; Y529-A935 HydrophobicContact CE2-CB 3.43Å; Y529-A935 VanDerWaalsContact CE2-CB 3.43Å; Y529-A935 HydrophobicContact CG-CB 4.48Å; Y529-A935 VanDerWaalsContact CZ-CB 3.41Å; A931-A935 PolarHBondContact O-N 3.27Å; L932-A935 WeakPolarHBondContact O-CB 3.38Å; L932-A935 PolarHBondContact O-N 3.37Å; I933-A935 PolarHBondContact O-N 3.38Å; A935-V937 VanDerWaalsContact C-N 3.33Å; A935-V937 PolarHBondContact O-N 2.9Å; A935-Q938 PolarHBondContact O-N 2.93Å; A935-Q939 WeakPolarHBondContact O-CG 3.46Å; A935-Q939 PolarHBondContact O-N 2.68Å |
| 936 | V | 84.7 | Confident | 79.6 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 178.3 | 171 | 0 | 0 | 0 | 0 | 111.2 | E525 L932 I933 K940 | E525-V936 HydrophobicContact CG-CG2 3.98Å; L932-V936 WeakPolarHBondContact O-CG2 3.41Å; L932-V936 PolarHBondContact O-N 3.26Å; I933-V936 PolarHBondContact O-N 3.12Å; V936-K940 PolarHBondContact O-N 2.97Å |
| 937 | V | 83.9 | Confident | 79.3 | Confident | 24 Ų | 24 | 47.1 Ų | 47.1 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -45.9 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | I604 I933 A935 K940 Q941 | I604-V937 HydrophobicContact CG1-CG2 3.72Å; I604-V937 HydrophobicContact CG2-CG1 4.2Å; I604-V937 HydrophobicContact CG2-CG2 4.4Å; I933-V937 HydrophobicContact CG2-CG2 4.25Å; I933-V937 VanDerWaalsContact O-CG2 3.28Å; I933-V937 WeakPolarHBondContact O-CG2 3.44Å; I933-V937 PolarHBondContact O-N 3.27Å; A935-V937 VanDerWaalsContact C-N 3.33Å; A935-V937 PolarHBondContact O-N 2.9Å; V937-K940 PolarHBondContact O-N 3.46Å; V937-Q941 PolarHBondContact O-N 3.3Å |
| 938 | Q | 80.1 | Confident | 78.9 | Confident | 51 Ų | 51 | 50.1 Ų | 50.1 | 24% | 0.238 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -42.3 | -178.2 | -168.4 | 173.8 | 11.7 | 0 | 0 | 112.5 | Y529 A934 A935 K940 Q941 E942 | Y529-Q938 PolarHBondContact OH-OE1 3.38Å; A934-Q938 WeakPolarHBondContact O-CB 3.27Å; A934-Q938 PolarHBondContact O-N 3.15Å; A934-Q938 VanDerWaalsContact O-N 3.08Å; A935-Q938 PolarHBondContact O-N 2.93Å; Q938-K940 PolarHBondContact O-N 3.1Å; Q938-Q941 PolarHBondContact O-N 2.99Å; Q938-E942 PolarHBondContact O-N 3.23Å |
| 939 | Q | 73 | Confident | 78.3 | Confident | 48 Ų | 48 | 51.5 Ų | 51.5 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.4 | -31.4 | 176 | -75.8 | -173.7 | -15.3 | 0 | 0 | 112.7 | T524 A935 M943 | T524-Q939 PolarHBondContact O-NE2 3.48Å; T524-Q939 PolarHBondContact OG1-OE1 2.67Å; A935-Q939 WeakPolarHBondContact O-CG 3.46Å; A935-Q939 PolarHBondContact O-N 2.68Å; Q939-M943 PolarHBondContact O-N 2.67Å |
| 940 | K | 65.9 | Low | 77.4 | Confident | 107 Ų | 107 | 55.1 Ų | 55.1 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -80.1 | -20.8 | 179.7 | -144.6 | -178.8 | -174.7 | 179.7 | 0 | 113.6 | V936 V937 Q938 M943 | V936-K940 PolarHBondContact O-N 2.97Å; V937-K940 PolarHBondContact O-N 3.46Å; Q938-K940 PolarHBondContact O-N 3.1Å; K940-M943 HydrophobicContact CG-CE 4.36Å |
| 941 | Q | 60.9 | Low | 76.3 | Confident | 140 Ų | 140 | 59.4 Ų | 59.4 | 65% | 0.654 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -82.2 | -22.8 | 172.6 | -70 | 178.5 | -11.4 | 0 | 0 | 112.1 | V937 Q938 | V937-Q941 PolarHBondContact O-N 3.3Å; Q938-Q941 PolarHBondContact O-N 2.99Å |
| 942 | E | 50.1 | Low | 75.1 | Confident | 150 Ų | 150 | 64.2 Ų | 64.2 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -86.9 | -17.2 | 177.7 | -68.8 | 178.4 | 175.6 | 0 | 0 | 113.8 | Q938 | Q938-E942 PolarHBondContact O-N 3.23Å |
| 943 | M | 41.2 | Very low | 73.7 | Confident | 202 Ų | 202 | 68.6 Ų | 68.6 | 100% | 0.995 | 33% | 0.329 | S | S | * | . | trans | -92.5 | 0 | 171.3 | -70.7 | -171 | -60.6 | 0 | 0 | 111.6 | Q939 K940 | Q939-M943 PolarHBondContact O-N 2.67Å; K940-M943 HydrophobicContact CG-CE 4.36Å |
Retrieved 943 of 943 residues in 272.1 ms
(Link to these results)