| 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 | 32.7 | Very low | 39.3 | Very low | 244 Ų | 244 | 138.5 Ų | 138.5 | 100% | 1.202 | 71% | 0.711 | S | S | * | * | 0 | 62.4 | 0 | -74.5 | 176.3 | 174.5 | 0 | 0 | 110.9 | |||||
| 2 | K | 31.5 | Very low | 39.1 | Very low | 208 Ų | 208 | 142.9 Ų | 142.9 | 90% | 0.904 | 71% | 0.712 | S | S | * | * | trans | -104.2 | 18.2 | -180 | -100.1 | -174.4 | 177.3 | -177.1 | 0 | 113 | ||||
| 3 | Q | 36.9 | Very low | 38.9 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 84% | 0.836 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -121.3 | 11.1 | -165.9 | -134.4 | 163.3 | -1.8 | 0 | 0 | 114.8 | ||
| 4 | F | 37.1 | Very low | 38.9 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 84% | 0.842 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -110.4 | 6.4 | 179.4 | -94.2 | -77.2 | 0 | 0 | 0 | 115.5 | ||
| 5 | T | 40.4 | Very low | 38.9 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -100.6 | 3.5 | 178.2 | 49.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 6 | L | 40.5 | Very low | 38.7 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 71% | 0.707 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -82.7 | -24.6 | -178.5 | -113.4 | 85.5 | 0 | 0 | 0 | 117.4 | L8 | L6-L8 PolarHBondContact O-N 2.84Š|
| 7 | P | 41.9 | Very low | 38.8 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -82.1 | -12.5 | -174.3 | 30.8 | -30.2 | 0 | 0 | 0 | 113.7 | ||
| 8 | L | 42.6 | Very low | 38.7 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -75.9 | -31 | 176.1 | -88.4 | 151.9 | 0 | 0 | 0 | 112.7 | L6 W12 | L6-L8 PolarHBondContact O-N 2.84Å; L8-W12 WeakPolarHBondContact O-CB 3.38Å; L8-W12 PolarHBondContact O-N 3.13Å |
| 9 | I | 43.1 | Very low | 38.6 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 52% | 0.523 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -74.4 | -34.9 | -178.9 | -64.1 | 166.1 | 0 | 0 | 0 | 111.3 | W12 M13 | I9-W12 PolarHBondContact O-N 3.16Å; I9-M13 HydrophobicContact CG2-CE 4.04Å; I9-M13 PolarHBondContact O-N 2.76Å |
| 10 | G | 41.8 | Very low | 38.5 | Very low | 38 Ų | 38 | 127.2 Ų | 127.2 | 39% | 0.392 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -67.2 | -39.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I14 | G10-I14 WeakPolarHBondContact O-CG1 3.46Å; G10-I14 PolarHBondContact O-N 3.47Å |
| 11 | I | 44.3 | Very low | 39.2 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 54% | 0.538 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -71.3 | -38 | 175.8 | -65 | 170.6 | 0 | 0 | 0 | 110.2 | I14 I15 | I11-I14 PolarHBondContact O-N 3.17Å; I11-I15 HydrophobicContact CG2-CD1 3.51Å; I11-I15 HydrophobicContact CG2-CG1 4.22Å; I11-I15 WeakPolarHBondContact O-CB 3.47Å; I11-I15 WeakPolarHBondContact O-CG1 3.44Å; I11-I15 PolarHBondContact O-N 3.18Å |
| 12 | W | 36 | Very low | 40.5 | Very low | 192 Ų | 192 | 117.6 Ų | 117.6 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.2 | -38.9 | 176.6 | -129 | 74.3 | 0 | 0 | 0 | 112.7 | L8 I9 I15 S16 | L8-W12 WeakPolarHBondContact O-CB 3.38Å; L8-W12 PolarHBondContact O-N 3.13Å; I9-W12 PolarHBondContact O-N 3.16Å; W12-I15 PolarHBondContact O-N 3.08Å; W12-S16 VanDerWaalsContact O-CB 3.3Å; W12-S16 WeakPolarHBondContact O-CB 3.29Å; W12-S16 PolarHBondContact O-N 2.82Å; W12-S16 PolarHBondContact O-OG 3.25Å |
| 13 | M | 36.4 | Very low | 42.3 | Very low | 122 Ų | 122 | 110.3 Ų | 110.3 | 60% | 0.601 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.9 | -40.9 | 175.2 | -87.2 | -159.3 | -138.9 | 0 | 0 | 112.7 | I9 S16 V17 | I9-M13 HydrophobicContact CG2-CE 4.04Å; I9-M13 PolarHBondContact O-N 2.76Å; M13-S16 VanDerWaalsContact CA-OG 3.31Å; M13-S16 WeakPolarHBondContact CA-OG 3.41Å; M13-S16 PolarHBondContact O-N 3.47Å; M13-S16 PolarHBondContact O-OG 3.04Å; M13-S16 VanDerWaalsContact O-OG 3.05Å; M13-V17 VanDerWaalsContact O-CG2 3.27Å; M13-V17 WeakPolarHBondContact O-CG2 3.44Å; M13-V17 PolarHBondContact O-N 3.49Å |
| 14 | I | 39.9 | Very low | 44.1 | Very low | 113 Ų | 113 | 101.9 Ų | 101.9 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.8 | -38.9 | 177.8 | -64.8 | 168.5 | 0 | 0 | 0 | 110.2 | G10 I11 I18 | G10-I14 WeakPolarHBondContact O-CG1 3.46Å; G10-I14 PolarHBondContact O-N 3.47Å; I11-I14 PolarHBondContact O-N 3.17Å; I14-I18 HydrophobicContact CG2-CD1 3.87Å; I14-I18 WeakPolarHBondContact O-CD1 3.48Å; I14-I18 VanDerWaalsContact O-CG1 3.23Å; I14-I18 WeakPolarHBondContact O-CG1 3.28Å; I14-I18 PolarHBondContact O-N 3.12Å; I14-I18 VanDerWaalsContact O-N 3.14Å |
| 15 | I | 38.1 | Very low | 46.2 | Very low | 85 Ų | 85 | 93 Ų | 93 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.5 | -39 | 175.2 | -67.1 | 171.8 | 0 | 0 | 0 | 111.2 | I11 W12 I18 V19 | I11-I15 HydrophobicContact CG2-CD1 3.51Å; I11-I15 HydrophobicContact CG2-CG1 4.22Å; I11-I15 WeakPolarHBondContact O-CB 3.47Å; I11-I15 WeakPolarHBondContact O-CG1 3.44Å; I11-I15 PolarHBondContact O-N 3.18Å; W12-I15 PolarHBondContact O-N 3.08Å; I15-I18 PolarHBondContact O-N 2.84Å; I15-V19 HydrophobicContact CG2-CG2 3.97Å; I15-V19 WeakPolarHBondContact O-CB 3.25Å; I15-V19 WeakPolarHBondContact O-CG2 3.16Å; I15-V19 PolarHBondContact O-N 3.15Å |
| 16 | S | 36.8 | Very low | 48.4 | Very low | 53 Ų | 53 | 87.9 Ų | 87.9 | 37% | 0.371 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.1 | -33.2 | 179.4 | 56.1 | 0 | 0 | 0 | 0 | 112.7 | W12 M13 I18 V19 C20 | W12-S16 VanDerWaalsContact O-CB 3.3Å; W12-S16 WeakPolarHBondContact O-CB 3.29Å; W12-S16 PolarHBondContact O-N 2.82Å; W12-S16 PolarHBondContact O-OG 3.25Å; M13-S16 VanDerWaalsContact CA-OG 3.31Å; M13-S16 WeakPolarHBondContact CA-OG 3.41Å; M13-S16 PolarHBondContact O-N 3.47Å; M13-S16 PolarHBondContact O-OG 3.04Å; M13-S16 VanDerWaalsContact O-OG 3.05Å; S16-I18 VanDerWaalsContact C-N 3.32Å; S16-V19 PolarHBondContact O-N 3.29Å; S16-C20 PolarHBondContact O-N 3.21Å |
| 17 | V | 39.9 | Very low | 50.7 | Low | 121 Ų | 121 | 81.5 Ų | 81.5 | 73% | 0.733 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70.5 | -29.9 | 172.6 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | M13 | M13-V17 VanDerWaalsContact O-CG2 3.27Å; M13-V17 WeakPolarHBondContact O-CG2 3.44Å; M13-V17 PolarHBondContact O-N 3.49Å |
| 18 | I | 37.6 | Very low | 53 | Low | 121 Ų | 121 | 77.5 Ų | 77.5 | 62% | 0.621 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -79.9 | -25.3 | 176.3 | -67.1 | 168.3 | 0 | 0 | 0 | 112.3 | I14 I15 S16 | I14-I18 HydrophobicContact CG2-CD1 3.87Å; I14-I18 WeakPolarHBondContact O-CD1 3.48Å; I14-I18 VanDerWaalsContact O-CG1 3.23Å; I14-I18 WeakPolarHBondContact O-CG1 3.28Å; I14-I18 PolarHBondContact O-N 3.12Å; I14-I18 VanDerWaalsContact O-N 3.14Å; I15-I18 PolarHBondContact O-N 2.84Å; S16-I18 VanDerWaalsContact C-N 3.32Å |
| 19 | V | 36 | Very low | 55.2 | Low | 107 Ų | 107 | 71.3 Ų | 71.3 | 65% | 0.648 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -100.1 | -15.7 | -168.9 | 174.6 | 0 | 0 | 0 | 0 | 115.1 | I15 S16 Q21 | I15-V19 HydrophobicContact CG2-CG2 3.97Å; I15-V19 WeakPolarHBondContact O-CB 3.25Å; I15-V19 WeakPolarHBondContact O-CG2 3.16Å; I15-V19 PolarHBondContact O-N 3.15Å; S16-V19 PolarHBondContact O-N 3.29Å; V19-Q21 PolarHBondContact O-N 3.11Å |
| 20 | C | 37.3 | Very low | 57.4 | Low | 106 Ų | 106 | 67.7 Ų | 67.7 | 72% | 0.716 | 36% | 0.363 | S | S | * | . | trans | -97.7 | 59.6 | 175 | -89.2 | 0 | 0 | 0 | 0 | 113.3 | S16 K22 | S16-C20 PolarHBondContact O-N 3.21Å; C20-K22 PolarHBondContact O-N 2.96Å | ||
| 21 | Q | 52.9 | Low | 59.2 | Low | 69 Ų | 69 | 66.2 Ų | 66.2 | 32% | 0.322 | 35% | 0.346 | S | S | . | . | trans | -88 | 86.6 | 159.8 | -84.1 | 178.4 | -26.2 | 0 | 0 | 108.6 | V19 S67 P68 | V19-Q21 PolarHBondContact O-N 3.11Å; Q21-S67 PolarHBondContact NE2-O 3.24Å; Q21-S67 PolarHBondContact NE2-OG 3.35Å; Q21-P68 PolarHBondContact NE2-O 3.33Å | ||
| 22 | K | 60.5 | Low | 60.5 | Low | 102 Ų | 102 | 65.7 Ų | 65.7 | 44% | 0.443 | 35% | 0.352 | S | S | . | . | trans | -60.2 | 135.8 | 162.8 | -77 | -176.7 | -179 | 171.8 | 0 | 108.3 | C20 P69 M356 | C20-K22 PolarHBondContact O-N 2.96Å; K22-P69 VanDerWaalsContact O-CB 3.29Å; K22-P69 WeakPolarHBondContact O-CB 3.43Å; K22-M356 HydrophobicContact CB-CE 4.15Å; K22-M356 WeakPolarHBondContact O-CE 3.35Å | ||
| 23 | P | 69.1 | Low | 61.8 | Low | 54 Ų | 54 | 60.9 Ų | 60.9 | 35% | 0.351 | 34% | 0.337 | S | S | . | . | trans | -66.3 | 142 | 177.6 | 26.7 | -33 | 0 | 0 | 0 | 110.9 | H25 K70 K72 | P23-H25 PolarHBondContact O-N 3.09Å; P23-K70 CarbonylContact C-O 3.29Å; P23-K70 VanDerWaalsContact C-O 3.29Å; P23-K70 WeakPolarHBondContact CA-O 3.45Å; P23-K70 HydrophobicContact CB-CB 4Å; P23-K70 WeakPolarHBondContact CB-O 3.39Å; P23-K72 HydrophobicContact CB-CB 4.42Å | ||
| 24 | L | 73.2 | Confident | 63.1 | Low | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 111.1 | 171.4 | 177.8 | 65.3 | 0 | 0 | 0 | 108.3 | I26 P69 K70 F71 K72 H92 T345 M356 | L24-I26 HydrophobicContact CD2-CD1 4.23Å; L24-I26 HydrophobicContact CG-CD1 4.39Å; L24-I26 HydrophobicContact CG-CG1 4.2Å; L24-P69 HydrophobicContact CB-CG 4.37Å; L24-K70 PolarHBondContact N-O 2.92Å; L24-F71 HydrophobicContact CB-CD2 4.41Å; L24-F71 HydrophobicContact CD2-CD2 4.17Å; L24-F71 HydrophobicContact CD2-CE2 3.88Å; L24-F71 HydrophobicContact CG-CD2 4.47Å; L24-F71 HydrophobicContact CG-CE2 4.3Å; L24-K72 PolarHBondContact O-N 3.3Å; L24-H92 HydrophobicContact CD1-CB 3.87Å; L24-T345 HydrophobicContact CD1-CG2 4.31Å; L24-M356 HydrophobicContact CD1-SD 4.31Å |
| 25 | H | 83 | Confident | 64.1 | Low | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.019 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.8 | -177 | -176.6 | -156.6 | 0 | 0 | 0 | 111.1 | P23 K72 T74 N89 D90 V91 H92 V93 | P23-H25 PolarHBondContact O-N 3.09Å; H25-K72 CarbonylContact C-O 3.48Å; H25-K72 WeakPolarHBondContact CA-O 3.37Å; H25-K72 HydrophobicContact CB-CB 4.32Å; H25-K72 PolarHBondContact CD2-O 3.28Å; H25-T74 WeakPolarHBondContact NE2-CG2 3.29Å; H25-T74 PolarHBondContact NE2-OG1 3.11Å; H25-N89 PolarHBondContact CE1-O 3.06Å; H25-N89 PolarHBondContact ND1-O 3.46Å; H25-D90 WeakPolarHBondContact CB-O 3.49Å; H25-D90 PolarHBondContact ND1-O 3.24Å; H25-V91 PolarHBondContact ND1-N 3.38Å; H25-H92 PolarHBondContact N-ND1 2.87Å; H25-H92 PolarHBondContact O-N 3.35Å; H25-V93 PolarHBondContact O-N 3.3Å |
| 26 | I | 85.5 | Confident | 65.5 | Low | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.1 | 179 | -52.9 | -156.7 | 0 | 0 | 0 | 109.8 | L24 F71 K72 L73 T74 V93 I95 I338 S341 | L24-I26 HydrophobicContact CD2-CD1 4.23Å; L24-I26 HydrophobicContact CG-CD1 4.39Å; L24-I26 HydrophobicContact CG-CG1 4.2Å; I26-F71 HydrophobicContact CB-CE1 4.46Å; I26-F71 HydrophobicContact CB-CZ 3.96Å; I26-F71 HydrophobicContact CD1-CE2 3.59Å; I26-F71 HydrophobicContact CD1-CZ 3.4Å; I26-F71 HydrophobicContact CG1-CE1 4.4Å; I26-F71 HydrophobicContact CG1-CE2 3.85Å; I26-F71 HydrophobicContact CG1-CZ 3.52Å; I26-K72 PolarHBondContact N-O 3.06Å; I26-L73 HydrophobicContact CB-CD1 4.41Å; I26-L73 WeakPolarHBondContact O-CA 3.49Å; I26-T74 PolarHBondContact O-N 3.31Å; I26-V93 WeakPolarHBondContact CA-O 3.16Å; I26-V93 HydrophobicContact CD1-CB 4.32Å; I26-V93 HydrophobicContact CG1-CB 4.32Å; I26-V93 HydrophobicContact CG2-CB 4.38Å; I26-I95 HydrophobicContact CG2-CD1 3.87Å; I26-I95 HydrophobicContact CG2-CG1 4.09Å; I26-I338 HydrophobicContact CD1-CG1 4.3Å; I26-I338 HydrophobicContact CD1-CG2 4.46Å; I26-I338 HydrophobicContact CG2-CG1 4.41Å; I26-S341 WeakPolarHBondContact CD1-OG 3.17Å |
| 27 | G | 88.9 | Confident | 66.9 | Low | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T74 V91 V93 I94 I95 | G27-T74 CarbonylContact C-O 3.54Å; G27-T74 VanDerWaalsContact CA-O 3.31Å; G27-T74 WeakPolarHBondContact CA-O 3.27Å; G27-V91 VanDerWaalsContact N-CG2 3.32Å; G27-V93 PolarHBondContact N-O 3.43Å; G27-I94 CarbonylContact O-C 3.56Å; G27-I94 WeakPolarHBondContact O-CA 3.37Å; G27-I95 PolarHBondContact O-N 3.22Å |
| 28 | I | 90.4 | Very high | 68.4 | Low | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.1 | 171.5 | -56.6 | -178 | 0 | 0 | 0 | 109 | F45 L73 T74 I75 K76 I95 L97 I338 | I28-F45 HydrophobicContact CD1-CD1 4.01Å; I28-F45 HydrophobicContact CD1-CD2 4.39Å; I28-F45 HydrophobicContact CD1-CE1 3.58Å; I28-F45 HydrophobicContact CD1-CE2 4Å; I28-F45 HydrophobicContact CD1-CG 4.4Å; I28-F45 HydrophobicContact CD1-CZ 3.58Å; I28-L73 HydrophobicContact CD1-CD1 3.83Å; I28-L73 HydrophobicContact CD1-CD2 4.26Å; I28-L73 HydrophobicContact CD1-CG 4.36Å; I28-L73 HydrophobicContact CG1-CD1 4.13Å; I28-T74 PolarHBondContact N-O 3.14Å; I28-I75 HydrophobicContact CB-CG1 4.17Å; I28-I75 HydrophobicContact CB-CG2 4.39Å; I28-I75 HydrophobicContact CD1-CG1 4.3Å; I28-I75 HydrophobicContact CG2-CG2 4.49Å; I28-I75 CarbonylContact O-C 3.54Å; I28-I75 WeakPolarHBondContact O-CA 3.3Å; I28-K76 PolarHBondContact O-N 3.25Å; I28-I95 CarbonylContact C-O 3.56Å; I28-I95 VanDerWaalsContact CA-O 3.28Å; I28-I95 WeakPolarHBondContact CA-O 3.33Å; I28-I95 HydrophobicContact CG1-CB 4.48Å; I28-L97 HydrophobicContact CG2-CD1 4.25Å; I28-L97 HydrophobicContact CG2-CG 4.35Å; I28-I338 HydrophobicContact CD1-CD1 4.2Å |
| 29 | I | 89.4 | Confident | 70.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.7 | 174.9 | -55.6 | 175.1 | 0 | 0 | 0 | 108.4 | K76 F78 V82 V83 L86 I94 I95 S96 L97 T98 I106 | I29-K76 VanDerWaalsContact CA-O 3.3Å; I29-K76 WeakPolarHBondContact CA-O 3.37Å; I29-F78 HydrophobicContact CG2-CB 3.81Å; I29-F78 HydrophobicContact CG2-CD2 4.08Å; I29-F78 HydrophobicContact CG2-CG 4.47Å; I29-V82 HydrophobicContact CD1-CG1 3.83Å; I29-V82 HydrophobicContact CG1-CG1 3.82Å; I29-V82 HydrophobicContact CG2-CG1 4.4Å; I29-V83 HydrophobicContact CD1-CG2 3.98Å; I29-L86 HydrophobicContact CD1-CD1 3.93Å; I29-L86 HydrophobicContact CG1-CD1 3.82Å; I29-I94 HydrophobicContact CD1-CG2 3.72Å; I29-I94 HydrophobicContact CG1-CG2 4.24Å; I29-I95 PolarHBondContact N-O 3.29Å; I29-S96 CarbonylContact O-C 3.52Å; I29-S96 VanDerWaalsContact O-CA 3.27Å; I29-S96 WeakPolarHBondContact O-CA 3.12Å; I29-L97 PolarHBondContact O-N 2.78Å; I29-T98 HydrophobicContact CG2-CG2 4.11Å; I29-I106 HydrophobicContact CB-CD1 4.35Å; I29-I106 HydrophobicContact CD1-CD1 4.04Å; I29-I106 HydrophobicContact CD1-CG1 4.43Å; I29-I106 HydrophobicContact CD1-CG2 4.33Å; I29-I106 HydrophobicContact CG2-CD1 3.98Å |
| 30 | Y | 88 | Confident | 72.3 | Confident | 26 Ų | 26 | 43.7 Ų | 43.7 | 10% | 0.102 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 161.9 | 174.6 | 69.8 | -84.5 | 0 | 0 | 0 | 111.2 | L34 G38 L41 I75 K76 E77 F78 | Y30-L34 HydrophobicContact CG-CD2 4.49Å; Y30-G38 VanDerWaalsContact OH-CA 3.25Å; Y30-G38 WeakPolarHBondContact OH-CA 3.17Å; Y30-L41 HydrophobicContact CD1-CD2 3.64Å; Y30-L41 HydrophobicContact CD2-CD2 4.43Å; Y30-L41 HydrophobicContact CE1-CD2 4.27Å; Y30-L41 HydrophobicContact CG-CD2 3.74Å; Y30-I75 HydrophobicContact CD1-CG2 3.72Å; Y30-I75 HydrophobicContact CE1-CG2 3.79Å; Y30-K76 WeakPolarHBondContact CD1-O 3.4Å; Y30-K76 PolarHBondContact N-O 3.4Å; Y30-E77 HydrophobicContact CE1-CB 4.18Å; Y30-E77 HydrophobicContact CE2-CB 4.05Å; Y30-E77 HydrophobicContact CE2-CG 4.08Å; Y30-E77 CarbonylContact O-C 3.4Å; Y30-E77 WeakPolarHBondContact O-CA 3.47Å; Y30-F78 PolarHBondContact O-N 3.05Å |
| 31 | D | 80.4 | Confident | 74.3 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | trans | -129.1 | -176.1 | 173.2 | 72.2 | -2.3 | 0 | 0 | 0 | 111.8 | E33 L34 F78 T98 A99 I102 | D31-E33 PolarHBondContact O-N 3.5Å; D31-E33 WeakPolarHBondContact OD1-CA 3.42Å; D31-E33 VanDerWaalsContact OD1-CB 3.31Å; D31-E33 WeakPolarHBondContact OD1-CB 3.48Å; D31-E33 PolarHBondContact OD1-N 3.47Å; D31-L34 WeakPolarHBondContact O-CB 3.16Å; D31-L34 PolarHBondContact O-N 2.85Å; D31-L34 VanDerWaalsContact O-N 3.15Å; D31-L34 PolarHBondContact OD1-N 2.89Å; D31-F78 HydrophobicContact CB-CB 4.47Å; D31-T98 HydrophobicContact CB-CG2 4.04Å; D31-T98 WeakPolarHBondContact OD2-CA 3.33Å; D31-A99 WeakPolarHBondContact OD2-CB 3.35Å; D31-A99 PolarHBondContact OD2-N 3.15Å; D31-I102 HydrophobicContact CB-CD1 4.12Å; D31-I102 WeakPolarHBondContact OD2-CD1 3.3Å | ||
| 32 | S | 70.3 | Confident | 75.7 | Confident | 94 Ų | 94 | 38.1 Ų | 38.1 | 66% | 0.657 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -64.6 | -21.9 | 178.3 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | L34 G35 | S32-L34 PolarHBondContact O-N 2.77Å; S32-G35 PolarHBondContact O-N 2.95Å |
| 33 | E | 64.8 | Low | 76.8 | Confident | 91 Ų | 91 | 37.2 Ų | 37.2 | 43% | 0.425 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -72.4 | -5.8 | 176 | -70.6 | -75.2 | 162 | 0 | 0 | 112 | D31 G35 A99 R330 | D31-E33 PolarHBondContact O-N 3.5Å; D31-E33 WeakPolarHBondContact OD1-CA 3.42Å; D31-E33 VanDerWaalsContact OD1-CB 3.31Å; D31-E33 WeakPolarHBondContact OD1-CB 3.48Å; D31-E33 PolarHBondContact OD1-N 3.47Å; E33-G35 PolarHBondContact O-N 3.23Å; E33-A99 HydrophobicContact CG-CB 4.23Å; E33-R330 PolarHBondContact O-NH2 2.95Å |
| 34 | L | 64 | Low | 77.4 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -62.6 | -28.2 | 169.7 | -161.5 | 63.7 | 0 | 0 | 0 | 112.7 | Y30 D31 S32 I36 L41 L97 R330 | Y30-L34 HydrophobicContact CG-CD2 4.49Å; D31-L34 WeakPolarHBondContact O-CB 3.16Å; D31-L34 PolarHBondContact O-N 2.85Å; D31-L34 VanDerWaalsContact O-N 3.15Å; D31-L34 PolarHBondContact OD1-N 2.89Å; S32-L34 PolarHBondContact O-N 2.77Å; L34-I36 HydrophobicContact CD2-CB 4.49Å; L34-I36 HydrophobicContact CG-CB 4.44Å; L34-I36 PolarHBondContact O-N 3.28Å; L34-L41 HydrophobicContact CD2-CD1 3.79Å; L34-L41 HydrophobicContact CD2-CD2 3.64Å; L34-L41 HydrophobicContact CD2-CG 4.19Å; L34-L97 HydrophobicContact CD1-CB 3.94Å; L34-L97 HydrophobicContact CD1-CD1 4.15Å; L34-L97 HydrophobicContact CD2-CD1 4.43Å; L34-R330 VanDerWaalsContact CA-NH2 3.29Å |
| 35 | G | 60.5 | Low | 77.9 | Confident | 27 Ų | 27 | 38 Ų | 38 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | trans | 70.5 | 5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | S32 E33 | S32-G35 PolarHBondContact O-N 2.95Å; E33-G35 PolarHBondContact O-N 3.23Å | ||
| 36 | I | 66 | Low | 77.8 | Confident | 37 Ų | 37 | 42 Ų | 42 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -118.9 | 140 | 178.6 | -58.9 | 174.3 | 0 | 0 | 0 | 107.9 | L34 G38 A40 T328 E331 | L34-I36 HydrophobicContact CD2-CB 4.49Å; L34-I36 HydrophobicContact CG-CB 4.44Å; L34-I36 PolarHBondContact O-N 3.28Å; I36-G38 PolarHBondContact O-N 3.05Å; I36-A40 HydrophobicContact CG2-CB 3.69Å; I36-T328 HydrophobicContact CD1-CG2 3.76Å; I36-E331 WeakPolarHBondContact CD1-OE1 3.46Å |
| 37 | T | 67.6 | Low | 77.6 | Confident | 102 Ų | 102 | 48.1 Ų | 48.1 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | trans | -62.8 | 134.9 | 172.5 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | E39 A40 L41 | T37-E39 PolarHBondContact O-N 3.47Å; T37-A40 WeakPolarHBondContact O-CB 3.49Å; T37-A40 PolarHBondContact O-N 3.18Å; T37-A40 WeakPolarHBondContact OG1-CB 3.37Å; T37-L41 PolarHBondContact O-N 3.36Å | ||
| 38 | G | 71.4 | Confident | 77.2 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -49.7 | -35.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y30 I36 L41 I42 | Y30-G38 VanDerWaalsContact OH-CA 3.25Å; Y30-G38 WeakPolarHBondContact OH-CA 3.17Å; I36-G38 PolarHBondContact O-N 3.05Å; G38-L41 PolarHBondContact O-N 2.92Å; G38-I42 WeakPolarHBondContact O-CD1 3.41Å; G38-I42 VanDerWaalsContact O-CG1 3.28Å; G38-I42 WeakPolarHBondContact O-CG1 3.37Å; G38-I42 PolarHBondContact O-N 3.41Å |
| 39 | E | 77.1 | Confident | 76.7 | Confident | 145 Ų | 145 | 52 Ų | 52 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.5 | -40.7 | 176.6 | -169.4 | 174.6 | -172.8 | 0 | 0 | 113 | T37 I42 N43 | T37-E39 PolarHBondContact O-N 3.47Å; E39-I42 PolarHBondContact O-N 3.07Å; E39-N43 WeakPolarHBondContact O-CB 3.47Å; E39-N43 VanDerWaalsContact O-CG 3.24Å; E39-N43 PolarHBondContact O-N 2.75Å; E39-N43 PolarHBondContact O-ND2 3.16Å |
| 40 | A | 78.2 | Confident | 76.1 | Confident | 33 Ų | 33 | 59.6 Ų | 59.6 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.4 | -37.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I36 T37 R44 | I36-A40 HydrophobicContact CG2-CB 3.69Å; T37-A40 WeakPolarHBondContact O-CB 3.49Å; T37-A40 PolarHBondContact O-N 3.18Å; T37-A40 WeakPolarHBondContact OG1-CB 3.37Å; A40-R44 WeakPolarHBondContact O-CB 3.18Å; A40-R44 WeakPolarHBondContact O-CD 3.34Å; A40-R44 VanDerWaalsContact O-CG 3.23Å; A40-R44 WeakPolarHBondContact O-CG 3.45Å; A40-R44 PolarHBondContact O-N 3.04Å |
| 41 | L | 80 | Confident | 75.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 173.5 | -174.1 | 69.2 | 0 | 0 | 0 | 110.8 | Y30 L34 T37 G38 N43 R44 F45 I75 E331 | Y30-L41 HydrophobicContact CD1-CD2 3.64Å; Y30-L41 HydrophobicContact CD2-CD2 4.43Å; Y30-L41 HydrophobicContact CE1-CD2 4.27Å; Y30-L41 HydrophobicContact CG-CD2 3.74Å; L34-L41 HydrophobicContact CD2-CD1 3.79Å; L34-L41 HydrophobicContact CD2-CD2 3.64Å; L34-L41 HydrophobicContact CD2-CG 4.19Å; T37-L41 PolarHBondContact O-N 3.36Å; G38-L41 PolarHBondContact O-N 2.92Å; L41-N43 PolarHBondContact O-N 3.36Å; L41-R44 PolarHBondContact O-N 2.8Å; L41-F45 HydrophobicContact CD1-CD2 3.87Å; L41-F45 HydrophobicContact CD1-CE2 3.61Å; L41-F45 HydrophobicContact CG-CD2 4Å; L41-F45 HydrophobicContact CG-CE2 4.13Å; L41-F45 WeakPolarHBondContact O-CD2 3.39Å; L41-F45 PolarHBondContact O-N 3.47Å; L41-I75 HydrophobicContact CD2-CG2 3.83Å; L41-I75 HydrophobicContact CG-CG2 4.48Å; L41-E331 HydrophobicContact CD1-CG 3.83Å; L41-E331 WeakPolarHBondContact CD1-OE1 3.41Å |
| 42 | I | 82.4 | Confident | 75.3 | Confident | 59 Ų | 59 | 61.8 Ų | 61.8 | 30% | 0.303 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 179.7 | -68.7 | 163.7 | 0 | 0 | 0 | 110.8 | G38 E39 R44 F45 N46 I75 | G38-I42 WeakPolarHBondContact O-CD1 3.41Å; G38-I42 VanDerWaalsContact O-CG1 3.28Å; G38-I42 WeakPolarHBondContact O-CG1 3.37Å; G38-I42 PolarHBondContact O-N 3.41Å; E39-I42 PolarHBondContact O-N 3.07Å; I42-R44 VanDerWaalsContact C-N 3.34Å; I42-R44 PolarHBondContact O-N 2.96Å; I42-F45 PolarHBondContact O-N 3.28Å; I42-N46 WeakPolarHBondContact CG2-ND2 3.43Å; I42-N46 WeakPolarHBondContact O-CB 3.24Å; I42-N46 PolarHBondContact O-N 2.95Å; I42-N46 PolarHBondContact O-ND2 3.2Å; I42-I75 HydrophobicContact CG1-CB 4.11Å; I42-I75 HydrophobicContact CG1-CD1 4.14Å; I42-I75 HydrophobicContact CG1-CG2 4.13Å |
| 43 | N | 82.7 | Confident | 75.5 | Confident | 82 Ų | 82 | 60.9 Ų | 60.9 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 179.3 | -70.6 | -18.7 | 0 | 0 | 0 | 111.9 | E39 L41 N46 D47 | E39-N43 WeakPolarHBondContact O-CB 3.47Å; E39-N43 VanDerWaalsContact O-CG 3.24Å; E39-N43 PolarHBondContact O-N 2.75Å; E39-N43 PolarHBondContact O-ND2 3.16Å; L41-N43 PolarHBondContact O-N 3.36Å; N43-N46 PolarHBondContact O-N 3.02Å; N43-D47 VanDerWaalsContact O-CG 3.32Å; N43-D47 PolarHBondContact O-N 3.22Å |
| 44 | R | 81.7 | Confident | 75.7 | Confident | 71 Ų | 71 | 62 Ų | 62 | 27% | 0.268 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 177.2 | -74.8 | 169 | 178.2 | -138.7 | -9.9 | 112.9 | A40 L41 I42 N46 D47 L48 N326 E331 | A40-R44 WeakPolarHBondContact O-CB 3.18Å; A40-R44 WeakPolarHBondContact O-CD 3.34Å; A40-R44 VanDerWaalsContact O-CG 3.23Å; A40-R44 WeakPolarHBondContact O-CG 3.45Å; A40-R44 PolarHBondContact O-N 3.04Å; L41-R44 PolarHBondContact O-N 2.8Å; I42-R44 VanDerWaalsContact C-N 3.34Å; I42-R44 PolarHBondContact O-N 2.96Å; R44-N46 VanDerWaalsContact C-N 3.29Å; R44-N46 PolarHBondContact O-N 3.22Å; R44-D47 PolarHBondContact O-N 3.28Å; R44-L48 WeakPolarHBondContact O-CB 3.33Å; R44-L48 WeakPolarHBondContact O-CG 3.33Å; R44-L48 PolarHBondContact O-N 3.3Å; R44-N326 PolarHBondContact NH1-O 3.31Å; R44-N326 PolarHBondContact NH2-O 3.28Å; R44-E331 WeakPolarHBondContact CD-OE1 2.92Å; R44-E331 IonicContact NH1-OE1 2.76Å; R44-E331 PolarHBondContact NH1-OE1 3.04Å; R44-E331 IonicContact NH1-OE2 3.17Å; R44-E331 PolarHBondContact NH1-OE2 3.19Å |
| 45 | F | 82.8 | Confident | 75.9 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.2 | -33 | 177.5 | -89.7 | -78.7 | 0 | 0 | 0 | 112 | I28 L41 I42 L48 Y49 L73 I75 E331 A334 V335 I338 | I28-F45 HydrophobicContact CD1-CD1 4.01Å; I28-F45 HydrophobicContact CD1-CD2 4.39Å; I28-F45 HydrophobicContact CD1-CE1 3.58Å; I28-F45 HydrophobicContact CD1-CE2 4Å; I28-F45 HydrophobicContact CD1-CG 4.4Å; I28-F45 HydrophobicContact CD1-CZ 3.58Å; L41-F45 HydrophobicContact CD1-CD2 3.87Å; L41-F45 HydrophobicContact CD1-CE2 3.61Å; L41-F45 HydrophobicContact CG-CD2 4Å; L41-F45 HydrophobicContact CG-CE2 4.13Å; L41-F45 WeakPolarHBondContact O-CD2 3.39Å; L41-F45 PolarHBondContact O-N 3.47Å; I42-F45 PolarHBondContact O-N 3.28Å; F45-L48 PolarHBondContact O-N 2.99Å; F45-Y49 WeakPolarHBondContact O-CA 3.41Å; F45-Y49 WeakPolarHBondContact O-CB 3.41Å; F45-Y49 PolarHBondContact O-N 2.88Å; F45-L73 HydrophobicContact CB-CD2 3.74Å; F45-L73 HydrophobicContact CD1-CD2 3.88Å; F45-L73 HydrophobicContact CG-CD2 3.99Å; F45-I75 HydrophobicContact CB-CD1 3.54Å; F45-I75 HydrophobicContact CD2-CD1 3.9Å; F45-I75 HydrophobicContact CG-CD1 3.85Å; F45-E331 HydrophobicContact CE2-CG 4.46Å; F45-A334 HydrophobicContact CZ-CB 4Å; F45-V335 HydrophobicContact CE1-CG2 3.86Å; F45-V335 HydrophobicContact CZ-CG2 4.39Å; F45-I338 HydrophobicContact CD1-CD1 4.47Å; F45-I338 HydrophobicContact CE1-CD1 3.86Å |
| 46 | N | 81.7 | Confident | 76.2 | Confident | 86 Ų | 86 | 62.9 Ų | 62.9 | 46% | 0.46 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 172.9 | -71.5 | -22.3 | 0 | 0 | 0 | 111.8 | I42 N43 R44 L48 Y49 | I42-N46 WeakPolarHBondContact CG2-ND2 3.43Å; I42-N46 WeakPolarHBondContact O-CB 3.24Å; I42-N46 PolarHBondContact O-N 2.95Å; I42-N46 PolarHBondContact O-ND2 3.2Å; N43-N46 PolarHBondContact O-N 3.02Å; R44-N46 VanDerWaalsContact C-N 3.29Å; R44-N46 PolarHBondContact O-N 3.22Å; N46-L48 VanDerWaalsContact C-N 3.29Å; N46-L48 PolarHBondContact O-N 3.3Å; N46-Y49 WeakPolarHBondContact O-CB 3.34Å; N46-Y49 PolarHBondContact O-N 3.46Å; N46-Y49 VanDerWaalsContact O-N 3.17Å |
| 47 | D | 81.7 | Confident | 76 | Confident | 129 Ų | 129 | 62.8 Ų | 62.8 | 69% | 0.69 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.1 | -35.5 | 176.2 | -71 | -13.8 | 0 | 0 | 0 | 112 | N43 R44 | N43-D47 VanDerWaalsContact O-CG 3.32Å; N43-D47 PolarHBondContact O-N 3.22Å; R44-D47 PolarHBondContact O-N 3.28Å |
| 48 | L | 79.3 | Confident | 75.4 | Confident | 21 Ų | 21 | 62 Ų | 62 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -81 | -17.3 | 176.5 | -68.1 | 171 | 0 | 0 | 0 | 112.9 | R44 F45 N46 E50 K51 I52 I319 F320 I327 V335 | R44-L48 WeakPolarHBondContact O-CB 3.33Å; R44-L48 WeakPolarHBondContact O-CG 3.33Å; R44-L48 PolarHBondContact O-N 3.3Å; F45-L48 PolarHBondContact O-N 2.99Å; N46-L48 VanDerWaalsContact C-N 3.29Å; N46-L48 PolarHBondContact O-N 3.3Å; L48-E50 PolarHBondContact O-N 3.42Å; L48-K51 PolarHBondContact O-N 3.04Å; L48-I52 HydrophobicContact CB-CD1 3.78Å; L48-I52 HydrophobicContact CB-CG1 4.26Å; L48-I52 VanDerWaalsContact O-CG1 3.28Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 3.28Å; L48-I319 HydrophobicContact CD2-CG2 4.27Å; L48-F320 HydrophobicContact CD1-CE1 3.94Å; L48-F320 HydrophobicContact CD1-CZ 4.42Å; L48-F320 HydrophobicContact CD2-CD1 4.22Å; L48-F320 HydrophobicContact CD2-CE1 3.63Å; L48-F320 HydrophobicContact CD2-CZ 4.47Å; L48-F320 HydrophobicContact CG-CE1 4.47Å; L48-I327 HydrophobicContact CD1-CD1 4.15Å; L48-V335 HydrophobicContact CD1-CG2 4.19Å |
| 49 | Y | 81 | Confident | 74.6 | Confident | 61 Ų | 61 | 63.5 Ų | 63.5 | 24% | 0.239 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.4 | -48.8 | -171.4 | -175.7 | -87.9 | 0 | 0 | 0 | 112.2 | F45 N46 K51 I52 E53 F71 L73 | F45-Y49 WeakPolarHBondContact O-CA 3.41Å; F45-Y49 WeakPolarHBondContact O-CB 3.41Å; F45-Y49 PolarHBondContact O-N 2.88Å; N46-Y49 WeakPolarHBondContact O-CB 3.34Å; N46-Y49 PolarHBondContact O-N 3.46Å; N46-Y49 VanDerWaalsContact O-N 3.17Å; Y49-K51 VanDerWaalsContact C-N 3.29Å; Y49-K51 PolarHBondContact O-N 3.19Å; Y49-I52 PolarHBondContact O-N 3.48Å; Y49-E53 WeakPolarHBondContact CE1-OE2 3.41Å; Y49-E53 WeakPolarHBondContact O-CB 3.45Å; Y49-E53 PolarHBondContact O-N 2.9Å; Y49-F71 HydrophobicContact CE2-CB 4.44Å; Y49-F71 AromaticContact CE2-CD1 3.9Å; Y49-F71 HydrophobicContact CE2-CD1 3.9Å; Y49-F71 VanDerWaalsContact OH-C 3.28Å; Y49-F71 PolarHBondContact OH-O 3.18Å; Y49-L73 HydrophobicContact CD2-CB 4.4Å; Y49-L73 HydrophobicContact CE2-CB 4.28Å |
| 50 | E | 76.3 | Confident | 73.3 | Confident | 159 Ų | 159 | 57.7 Ų | 57.7 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.1 | -38.5 | 179.2 | -67.1 | -170.1 | 166.3 | 0 | 0 | 112.1 | L48 Y54 | L48-E50 PolarHBondContact O-N 3.42Å; E50-Y54 WeakPolarHBondContact O-CB 3.02Å; E50-Y54 PolarHBondContact O-N 3.37Å |
| 51 | K | 75.9 | Confident | 72.1 | Confident | 76 Ų | 76 | 62.8 Ų | 62.8 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -72.1 | -44.1 | 178.3 | -63 | -175.4 | 176.8 | -177.4 | 0 | 111.5 | L48 Y49 E53 Y54 Y55 I319 | L48-K51 PolarHBondContact O-N 3.04Å; Y49-K51 VanDerWaalsContact C-N 3.29Å; Y49-K51 PolarHBondContact O-N 3.19Å; K51-E53 VanDerWaalsContact C-N 3.3Å; K51-E53 PolarHBondContact O-N 3.47Å; K51-Y54 PolarHBondContact O-N 3.44Å; K51-Y55 VanDerWaalsContact O-CD2 3.24Å; K51-Y55 WeakPolarHBondContact O-CD2 3.28Å; K51-Y55 PolarHBondContact O-N 2.86Å; K51-I319 HydrophobicContact CB-CG2 4.09Å; K51-I319 HydrophobicContact CD-CG2 4.26Å; K51-I319 VanDerWaalsContact CD-O 3.28Å; K51-I319 WeakPolarHBondContact CD-O 3.29Å; K51-I319 PolarHBondContact NZ-O 3.29Å |
| 52 | I | 76.4 | Confident | 70.7 | Confident | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 177.9 | -68.5 | 168.1 | 0 | 0 | 0 | 109.6 | L48 Y49 Y54 Y55 A56 V335 I338 L339 | L48-I52 HydrophobicContact CB-CD1 3.78Å; L48-I52 HydrophobicContact CB-CG1 4.26Å; L48-I52 VanDerWaalsContact O-CG1 3.28Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 3.28Å; Y49-I52 PolarHBondContact O-N 3.48Å; I52-Y54 VanDerWaalsContact C-N 3.35Å; I52-Y54 PolarHBondContact O-N 3Å; I52-Y55 PolarHBondContact O-N 3.21Å; I52-A56 VanDerWaalsContact O-CB 3.24Å; I52-A56 WeakPolarHBondContact O-CB 3.36Å; I52-A56 PolarHBondContact O-N 3.22Å; I52-V335 HydrophobicContact CD1-CG1 4.02Å; I52-V335 HydrophobicContact CD1-CG2 4.04Å; I52-V335 HydrophobicContact CG1-CG1 4.01Å; I52-I338 HydrophobicContact CG2-CG2 3.56Å; I52-L339 HydrophobicContact CG2-CD2 4.2Å |
| 53 | E | 73.4 | Confident | 69.3 | Low | 74 Ų | 74 | 75.2 Ų | 75.2 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 176.5 | -169.9 | 169.3 | -155.2 | 0 | 0 | 111.3 | Y49 K51 | Y49-E53 WeakPolarHBondContact CE1-OE2 3.41Å; Y49-E53 WeakPolarHBondContact O-CB 3.45Å; Y49-E53 PolarHBondContact O-N 2.9Å; K51-E53 VanDerWaalsContact C-N 3.3Å; K51-E53 PolarHBondContact O-N 3.47Å |
| 54 | Y | 69.1 | Low | 67.9 | Low | 114 Ų | 114 | 77.1 Ų | 77.1 | 45% | 0.447 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 178.1 | -177 | -96.9 | 0 | 0 | 0 | 114 | E50 K51 I52 D57 R61 | E50-Y54 WeakPolarHBondContact O-CB 3.02Å; E50-Y54 PolarHBondContact O-N 3.37Å; K51-Y54 PolarHBondContact O-N 3.44Å; I52-Y54 VanDerWaalsContact C-N 3.35Å; I52-Y54 PolarHBondContact O-N 3Å; Y54-D57 WeakPolarHBondContact O-CB 3.34Å; Y54-R61 PolarHBondContact OH-NH1 3.11Å |
| 55 | Y | 68.2 | Low | 66.4 | Low | 43 Ų | 43 | 77.1 Ų | 77.1 | 17% | 0.169 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -90.5 | -13.5 | -174.7 | -74.4 | -73.1 | 0 | 0 | 0 | 114.4 | K51 I52 D57 F58 E318 I319 | K51-Y55 VanDerWaalsContact O-CD2 3.24Å; K51-Y55 WeakPolarHBondContact O-CD2 3.28Å; K51-Y55 PolarHBondContact O-N 2.86Å; I52-Y55 PolarHBondContact O-N 3.21Å; Y55-D57 PolarHBondContact O-N 2.91Å; Y55-D57 VanDerWaalsContact O-N 3.09Å; Y55-F58 HydrophobicContact CD1-CB 4.22Å; Y55-F58 AromaticContact CD1-CD2 3.96Å; Y55-F58 HydrophobicContact CD1-CD2 3.96Å; Y55-F58 HydrophobicContact CD1-CG 4.32Å; Y55-F58 HydrophobicContact CE1-CD2 4.11Å; Y55-F58 HydrophobicContact CE1-CE2 4.49Å; Y55-F58 WeakPolarHBondContact O-CB 3.15Å; Y55-F58 PolarHBondContact O-N 3.04Å; Y55-E318 HydrophobicContact CD1-CB 3.94Å; Y55-E318 HydrophobicContact CD1-CG 4.48Å; Y55-E318 HydrophobicContact CE1-CB 3.39Å; Y55-E318 HydrophobicContact CE1-CG 3.81Å; Y55-E318 WeakPolarHBondContact CE1-OE2 3.32Å; Y55-E318 HydrophobicContact CE2-CB 4.16Å; Y55-E318 VanDerWaalsContact CZ-OE2 3.3Å; Y55-E318 PolarHBondContact OH-O 2.88Å; Y55-E318 PolarHBondContact OH-OE2 3.47Å; Y55-I319 HydrophobicContact CD2-CD1 4.13Å; Y55-I319 HydrophobicContact CD2-CG1 3.55Å; Y55-I319 HydrophobicContact CE2-CG1 4.24Å; Y55-I319 HydrophobicContact CG-CD1 4.21Å; Y55-I319 HydrophobicContact CG-CG1 3.85Å |
| 56 | A | 66.6 | Low | 64.9 | Low | 5 Ų | 5 | 81.3 Ų | 81.3 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -26.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I52 L339 | I52-A56 VanDerWaalsContact O-CB 3.24Å; I52-A56 WeakPolarHBondContact O-CB 3.36Å; I52-A56 PolarHBondContact O-N 3.22Å; A56-L339 HydrophobicContact CB-CD2 4.18Å |
| 57 | D | 61.7 | Low | 63.5 | Low | 36 Ų | 36 | 81 Ų | 81 | 19% | 0.193 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -19.8 | 178.7 | -58 | 0.2 | 0 | 0 | 0 | 115.1 | Y54 Y55 I60 R61 P68 | Y54-D57 WeakPolarHBondContact O-CB 3.34Å; Y55-D57 PolarHBondContact O-N 2.91Å; Y55-D57 VanDerWaalsContact O-N 3.09Å; D57-I60 WeakPolarHBondContact O-CB 3.48Å; D57-I60 PolarHBondContact O-N 3.48Å; D57-R61 PolarHBondContact O-N 3.29Å; D57-R61 IonicContact OD2-NH2 3.28Å; D57-R61 PolarHBondContact OD2-NH2 2.97Å; D57-P68 WeakPolarHBondContact OD1-CG 3.45Å |
| 58 | F | 56.5 | Low | 62.2 | Low | 84 Ų | 84 | 76.6 Ų | 76.6 | 37% | 0.368 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -63.9 | -46 | -155 | -164.7 | -93.4 | 0 | 0 | 0 | 115.1 | Y55 I60 L314 | Y55-F58 HydrophobicContact CD1-CB 4.22Å; Y55-F58 AromaticContact CD1-CD2 3.96Å; Y55-F58 HydrophobicContact CD1-CD2 3.96Å; Y55-F58 HydrophobicContact CD1-CG 4.32Å; Y55-F58 HydrophobicContact CE1-CD2 4.11Å; Y55-F58 HydrophobicContact CE1-CE2 4.49Å; Y55-F58 WeakPolarHBondContact O-CB 3.15Å; Y55-F58 PolarHBondContact O-N 3.04Å; F58-I60 PolarHBondContact O-N 3.23Å; F58-I60 VanDerWaalsContact O-N 3.1Å; F58-L314 HydrophobicContact CE1-CD1 4.3Å; F58-L314 HydrophobicContact CE1-CD2 3.88Å; F58-L314 HydrophobicContact CZ-CD2 4.35Å |
| 59 | P | 54 | Low | 61.2 | Low | 46 Ų | 46 | 76.5 Ų | 76.5 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -63.6 | -21.3 | 178.9 | -12.4 | 24 | 0 | 0 | 0 | 112.6 | Y63 Q343 | P59-Y63 WeakPolarHBondContact O-CD2 3.11Å; P59-Q343 HydrophobicContact CG-CG 4.04Å |
| 60 | I | 50.2 | Low | 60.5 | Low | 23 Ų | 23 | 80.9 Ų | 80.9 | 12% | 0.118 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -95.2 | -22.8 | -164.6 | -64.2 | 156 | 0 | 0 | 0 | 112.2 | D57 F58 N62 Y63 S64 L65 I346 | D57-I60 WeakPolarHBondContact O-CB 3.48Å; D57-I60 PolarHBondContact O-N 3.48Å; F58-I60 PolarHBondContact O-N 3.23Å; F58-I60 VanDerWaalsContact O-N 3.1Å; I60-N62 PolarHBondContact O-N 3.29Å; I60-N62 VanDerWaalsContact O-N 3.11Å; I60-Y63 PolarHBondContact O-N 3.04Å; I60-S64 PolarHBondContact O-N 2.63Å; I60-L65 HydrophobicContact CG2-CB 3.5Å; I60-L65 VanDerWaalsContact CG2-CB 3.5Å; I60-L65 HydrophobicContact CG2-CD1 3.9Å; I60-L65 HydrophobicContact CG2-CG 4.32Å; I60-I346 HydrophobicContact CD1-CB 3.93Å; I60-I346 HydrophobicContact CD1-CD1 3.25Å; I60-I346 HydrophobicContact CD1-CG1 4.14Å; I60-I346 HydrophobicContact CD1-CG2 3.65Å; I60-I346 HydrophobicContact CG1-CG2 4.35Å |
| 61 | R | 51.5 | Low | 60.4 | Low | 141 Ų | 141 | 74 Ų | 74 | 53% | 0.532 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.7 | 172.3 | -71.1 | -173.8 | -163.6 | -168.2 | 7.2 | 112.5 | Y54 D57 Y63 | Y54-R61 PolarHBondContact OH-NH1 3.11Å; D57-R61 PolarHBondContact O-N 3.29Å; D57-R61 IonicContact OD2-NH2 3.28Å; D57-R61 PolarHBondContact OD2-NH2 2.97Å; R61-Y63 VanDerWaalsContact C-N 3.35Å |
| 62 | N | 52.1 | Low | 60.6 | Low | 146 Ų | 146 | 74.6 Ų | 74.6 | 78% | 0.781 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -17.1 | 173.1 | -81.6 | -8.7 | 0 | 0 | 0 | 114.5 | I60 | I60-N62 PolarHBondContact O-N 3.29Å; I60-N62 VanDerWaalsContact O-N 3.11Å |
| 63 | Y | 53.6 | Low | 60.9 | Low | 173 Ų | 173 | 75.9 Ų | 75.9 | 68% | 0.678 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | 7.5 | -171.5 | -70.4 | -77.4 | 0 | 0 | 0 | 115.1 | P59 I60 R61 L65 | P59-Y63 WeakPolarHBondContact O-CD2 3.11Å; I60-Y63 PolarHBondContact O-N 3.04Å; R61-Y63 VanDerWaalsContact C-N 3.35Å; Y63-L65 VanDerWaalsContact C-N 3.25Å; Y63-L65 PolarHBondContact O-N 3.42Å |
| 64 | S | 53.2 | Low | 61.5 | Low | 123 Ų | 123 | 73.7 Ų | 73.7 | 86% | 0.86 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 37.4 | 173.2 | 50.3 | 0 | 0 | 0 | 0 | 114.7 | I60 | I60-S64 PolarHBondContact O-N 2.63Š|
| 65 | L | 49.7 | Very low | 62.4 | Low | 71 Ų | 71 | 69.6 Ų | 69.6 | 37% | 0.372 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 159.8 | 174.4 | -76.6 | 147.2 | 0 | 0 | 0 | 111.2 | I60 Y63 | I60-L65 HydrophobicContact CG2-CB 3.5Å; I60-L65 VanDerWaalsContact CG2-CB 3.5Å; I60-L65 HydrophobicContact CG2-CD1 3.9Å; I60-L65 HydrophobicContact CG2-CG 4.32Å; Y63-L65 VanDerWaalsContact C-N 3.25Å; Y63-L65 PolarHBondContact O-N 3.42Å |
| 66 | P | 51.1 | Low | 63.2 | Low | 91 Ų | 91 | 70.9 Ų | 70.9 | 59% | 0.591 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 155.7 | -177.4 | 22.5 | -33.4 | 0 | 0 | 0 | 113 | ||
| 67 | S | 51.8 | Low | 64.1 | Low | 81 Ų | 81 | 75.9 Ų | 75.9 | 57% | 0.566 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 143.5 | 176.7 | 52.9 | 0 | 0 | 0 | 0 | 110.9 | Q21 | Q21-S67 PolarHBondContact NE2-O 3.24Å; Q21-S67 PolarHBondContact NE2-OG 3.35Å |
| 68 | P | 54.2 | Low | 64.9 | Low | 35 Ų | 35 | 75.7 Ų | 75.7 | 23% | 0.227 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -71 | 156.1 | 179.9 | 15.3 | -13.4 | 0 | 0 | 0 | 111.9 | Q21 D57 I346 | Q21-P68 PolarHBondContact NE2-O 3.33Å; D57-P68 WeakPolarHBondContact OD1-CG 3.45Å; P68-I346 HydrophobicContact CB-CD1 3.9Å |
| 69 | P | 59.5 | Low | 65.8 | Low | 19 Ų | 19 | 75.1 Ų | 75.1 | 12% | 0.123 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 145.8 | 171 | 28.6 | -32.3 | 0 | 0 | 0 | 110.4 | K22 L24 | K22-P69 VanDerWaalsContact O-CB 3.29Å; K22-P69 WeakPolarHBondContact O-CB 3.43Å; L24-P69 HydrophobicContact CB-CG 4.37Å |
| 70 | K | 66 | Low | 66.5 | Low | 154 Ų | 154 | 78.1 Ų | 78.1 | 67% | 0.67 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 142.3 | 172.4 | -72.6 | -174.7 | 176.1 | -173.3 | 0 | 110.5 | P23 L24 | P23-K70 CarbonylContact C-O 3.29Å; P23-K70 VanDerWaalsContact C-O 3.29Å; P23-K70 WeakPolarHBondContact CA-O 3.45Å; P23-K70 HydrophobicContact CB-CB 4Å; P23-K70 WeakPolarHBondContact CB-O 3.39Å; L24-K70 PolarHBondContact N-O 2.92Å |
| 71 | F | 73 | Confident | 67.5 | Low | 15 Ų | 15 | 79 Ų | 79 | 7% | 0.066 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 153.1 | 176.4 | -155.1 | -101.5 | 0 | 0 | 0 | 110 | L24 I26 Y49 L73 I338 | L24-F71 HydrophobicContact CB-CD2 4.41Å; L24-F71 HydrophobicContact CD2-CD2 4.17Å; L24-F71 HydrophobicContact CD2-CE2 3.88Å; L24-F71 HydrophobicContact CG-CD2 4.47Å; L24-F71 HydrophobicContact CG-CE2 4.3Å; I26-F71 HydrophobicContact CB-CE1 4.46Å; I26-F71 HydrophobicContact CB-CZ 3.96Å; I26-F71 HydrophobicContact CD1-CE2 3.59Å; I26-F71 HydrophobicContact CD1-CZ 3.4Å; I26-F71 HydrophobicContact CG1-CE1 4.4Å; I26-F71 HydrophobicContact CG1-CE2 3.85Å; I26-F71 HydrophobicContact CG1-CZ 3.52Å; Y49-F71 HydrophobicContact CE2-CB 4.44Å; Y49-F71 AromaticContact CE2-CD1 3.9Å; Y49-F71 HydrophobicContact CE2-CD1 3.9Å; Y49-F71 VanDerWaalsContact OH-C 3.28Å; Y49-F71 PolarHBondContact OH-O 3.18Å; F71-L73 HydrophobicContact CD1-CB 4.44Å; F71-L73 HydrophobicContact CE1-CB 4.15Å; F71-L73 HydrophobicContact CE1-CD1 3.74Å; F71-L73 HydrophobicContact CZ-CD1 4.42Å; F71-I338 HydrophobicContact CE1-CG2 3.99Å; F71-I338 HydrophobicContact CE2-CG2 3.69Å; F71-I338 HydrophobicContact CZ-CB 4.32Å; F71-I338 HydrophobicContact CZ-CG1 4.32Å; F71-I338 HydrophobicContact CZ-CG2 3.22Å |
| 72 | K | 80.6 | Confident | 69 | Low | 87 Ų | 87 | 72.7 Ų | 72.7 | 38% | 0.378 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 121.2 | 166.8 | -177.8 | -176.2 | 174.7 | -169.1 | 0 | 107.5 | P23 L24 H25 I26 | P23-K72 HydrophobicContact CB-CB 4.42Å; L24-K72 PolarHBondContact O-N 3.3Å; H25-K72 CarbonylContact C-O 3.48Å; H25-K72 WeakPolarHBondContact CA-O 3.37Å; H25-K72 HydrophobicContact CB-CB 4.32Å; H25-K72 PolarHBondContact CD2-O 3.28Å; I26-K72 PolarHBondContact N-O 3.06Å |
| 73 | L | 83.7 | Confident | 70.3 | Confident | 32 Ų | 32 | 65.8 Ų | 65.8 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 130.2 | 178.1 | -165.4 | 87.1 | 0 | 0 | 0 | 109.5 | I26 I28 F45 Y49 F71 I75 I338 | I26-L73 HydrophobicContact CB-CD1 4.41Å; I26-L73 WeakPolarHBondContact O-CA 3.49Å; I28-L73 HydrophobicContact CD1-CD1 3.83Å; I28-L73 HydrophobicContact CD1-CD2 4.26Å; I28-L73 HydrophobicContact CD1-CG 4.36Å; I28-L73 HydrophobicContact CG1-CD1 4.13Å; F45-L73 HydrophobicContact CB-CD2 3.74Å; F45-L73 HydrophobicContact CD1-CD2 3.88Å; F45-L73 HydrophobicContact CG-CD2 3.99Å; Y49-L73 HydrophobicContact CD2-CB 4.4Å; Y49-L73 HydrophobicContact CE2-CB 4.28Å; F71-L73 HydrophobicContact CD1-CB 4.44Å; F71-L73 HydrophobicContact CE1-CB 4.15Å; F71-L73 HydrophobicContact CE1-CD1 3.74Å; F71-L73 HydrophobicContact CZ-CD1 4.42Å; L73-I75 HydrophobicContact CD2-CD1 3.59Å; L73-I75 HydrophobicContact CD2-CG1 3.67Å; L73-I75 HydrophobicContact CG-CG1 4.15Å; L73-I338 HydrophobicContact CD1-CD1 3.95Å |
| 74 | T | 85.6 | Confident | 71.6 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 18% | 0.178 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 118.2 | 169.2 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | H25 I26 G27 I28 L86 | H25-T74 WeakPolarHBondContact NE2-CG2 3.29Å; H25-T74 PolarHBondContact NE2-OG1 3.11Å; I26-T74 PolarHBondContact O-N 3.31Å; G27-T74 CarbonylContact C-O 3.54Å; G27-T74 VanDerWaalsContact CA-O 3.31Å; G27-T74 WeakPolarHBondContact CA-O 3.27Å; I28-T74 PolarHBondContact N-O 3.14Å; T74-L86 VanDerWaalsContact OG1-CD2 3.23Å; T74-L86 WeakPolarHBondContact OG1-CD2 3.12Å |
| 75 | I | 88 | Confident | 72.9 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.5 | 179.4 | -53.9 | 168.3 | 0 | 0 | 0 | 107.8 | I28 Y30 L41 I42 F45 L73 | I28-I75 HydrophobicContact CB-CG1 4.17Å; I28-I75 HydrophobicContact CB-CG2 4.39Å; I28-I75 HydrophobicContact CD1-CG1 4.3Å; I28-I75 HydrophobicContact CG2-CG2 4.49Å; I28-I75 CarbonylContact O-C 3.54Å; I28-I75 WeakPolarHBondContact O-CA 3.3Å; Y30-I75 HydrophobicContact CD1-CG2 3.72Å; Y30-I75 HydrophobicContact CE1-CG2 3.79Å; L41-I75 HydrophobicContact CD2-CG2 3.83Å; L41-I75 HydrophobicContact CG-CG2 4.48Å; I42-I75 HydrophobicContact CG1-CB 4.11Å; I42-I75 HydrophobicContact CG1-CD1 4.14Å; I42-I75 HydrophobicContact CG1-CG2 4.13Å; F45-I75 HydrophobicContact CB-CD1 3.54Å; F45-I75 HydrophobicContact CD2-CD1 3.9Å; F45-I75 HydrophobicContact CG-CD1 3.85Å; L73-I75 HydrophobicContact CD2-CD1 3.59Å; L73-I75 HydrophobicContact CD2-CG1 3.67Å; L73-I75 HydrophobicContact CG-CG1 4.15Å |
| 76 | K | 85.7 | Confident | 74.6 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 30% | 0.3 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 147.1 | 178.3 | -70.3 | -165.4 | 174.5 | -174.9 | 0 | 111.7 | I28 I29 Y30 V82 N85 | I28-K76 PolarHBondContact O-N 3.25Å; I29-K76 VanDerWaalsContact CA-O 3.3Å; I29-K76 WeakPolarHBondContact CA-O 3.37Å; Y30-K76 WeakPolarHBondContact CD1-O 3.4Å; Y30-K76 PolarHBondContact N-O 3.4Å; K76-V82 HydrophobicContact CB-CG1 4.15Å; K76-V82 HydrophobicContact CB-CG2 4.27Å; K76-V82 HydrophobicContact CD-CG2 4.31Å; K76-N85 PolarHBondContact NZ-ND2 3.26Å; K76-N85 PolarHBondContact NZ-OD1 2.94Å |
| 77 | E | 83.9 | Confident | 76 | Confident | 110 Ų | 110 | 48.6 Ų | 48.6 | 51% | 0.514 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 147 | 168.3 | -168.7 | 177.4 | 179.5 | 0 | 0 | 109.7 | Y30 T79 V82 | Y30-E77 HydrophobicContact CE1-CB 4.18Å; Y30-E77 HydrophobicContact CE2-CB 4.05Å; Y30-E77 HydrophobicContact CE2-CG 4.08Å; Y30-E77 CarbonylContact O-C 3.4Å; Y30-E77 WeakPolarHBondContact O-CA 3.47Å; E77-T79 PolarHBondContact O-N 2.97Å; E77-V82 VanDerWaalsContact O-CG2 3.3Å; E77-V82 WeakPolarHBondContact O-CG2 3.32Å |
| 78 | F | 79.9 | Confident | 77.3 | Confident | 32 Ų | 32 | 50 Ų | 50 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | trans | -61.3 | 124.6 | 178.3 | 176.3 | -102.3 | 0 | 0 | 0 | 111.5 | I29 Y30 D31 I102 L105 I106 | I29-F78 HydrophobicContact CG2-CB 3.81Å; I29-F78 HydrophobicContact CG2-CD2 4.08Å; I29-F78 HydrophobicContact CG2-CG 4.47Å; Y30-F78 PolarHBondContact O-N 3.05Å; D31-F78 HydrophobicContact CB-CB 4.47Å; F78-I102 HydrophobicContact CB-CG2 4.25Å; F78-I102 HydrophobicContact CD1-CD1 3.96Å; F78-I102 HydrophobicContact CD1-CG1 4.22Å; F78-I102 HydrophobicContact CD1-CG2 3.75Å; F78-I102 HydrophobicContact CD2-CG2 3.45Å; F78-I102 VanDerWaalsContact CD2-CG2 3.45Å; F78-I102 HydrophobicContact CE1-CD1 4.35Å; F78-I102 HydrophobicContact CE1-CG1 4.17Å; F78-I102 HydrophobicContact CE1-CG2 3.96Å; F78-I102 HydrophobicContact CE2-CG2 3.67Å; F78-I102 HydrophobicContact CG-CG2 3.5Å; F78-I102 HydrophobicContact CZ-CG2 3.94Å; F78-L105 HydrophobicContact CE1-CD2 4.5Å; F78-L105 HydrophobicContact CE2-CD2 4.44Å; F78-L105 HydrophobicContact CZ-CD2 3.65Å; F78-I106 HydrophobicContact CD2-CD1 4Å; F78-I106 HydrophobicContact CD2-CG1 4.16Å; F78-I106 HydrophobicContact CE2-CD1 4.29Å; F78-I106 HydrophobicContact CE2-CG1 3.95Å | ||
| 79 | T | 75.4 | Confident | 78.6 | Confident | 73 Ų | 73 | 51.7 Ų | 51.7 | 45% | 0.448 | 27% | 0.265 | S | S | . | . | trans | -140.3 | 158.4 | 165.3 | 68.8 | 0 | 0 | 0 | 0 | 108.3 | E77 G81 V82 | E77-T79 PolarHBondContact O-N 2.97Å; T79-G81 PolarHBondContact O-N 3.45Å; T79-V82 HydrophobicContact CG2-CG2 4.34Å; T79-V82 PolarHBondContact O-N 3.5Å; T79-V82 WeakPolarHBondContact OG1-CG2 3.4Å | ||
| 80 | F | 67.1 | Low | 79.4 | Confident | 108 Ų | 108 | 54.3 Ų | 54.3 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -25 | -176.5 | -76.3 | -78.6 | 0 | 0 | 0 | 114.4 | L105 Q109 L701 F705 | F80-L105 HydrophobicContact CD1-CD2 4.2Å; F80-L105 HydrophobicContact CE1-CD2 3.7Å; F80-Q109 PolarHBondContact O-NE2 3.03Å; F80-L701 HydrophobicContact CE1-CD1 4.42Å; F80-F705 HydrophobicContact CE1-CZ 4.15Å; F80-F705 HydrophobicContact CE2-CE1 4.26Å; F80-F705 AromaticContact CE2-CZ 3.81Å; F80-F705 HydrophobicContact CE2-CZ 3.81Å; F80-F705 AromaticContact CZ-CE1 3.9Å; F80-F705 HydrophobicContact CZ-CE1 3.9Å; F80-F705 HydrophobicContact CZ-CE2 4.19Å; F80-F705 AromaticContact CZ-CZ 3.27Å; F80-F705 HydrophobicContact CZ-CZ 3.27Å |
| 81 | G | 71.1 | Confident | 80.1 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 44% | 0.443 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | T79 C84 N85 | T79-G81 PolarHBondContact O-N 3.45Å; G81-C84 PolarHBondContact O-N 3.35Å; G81-N85 WeakPolarHBondContact O-CB 3.18Å; G81-N85 PolarHBondContact O-N 3.31Å |
| 82 | V | 83.3 | Confident | 80.5 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.1 | -39.5 | -173.8 | 152.8 | 0 | 0 | 0 | 0 | 112.9 | I29 K76 E77 T79 C84 N85 L86 | I29-V82 HydrophobicContact CD1-CG1 3.83Å; I29-V82 HydrophobicContact CG1-CG1 3.82Å; I29-V82 HydrophobicContact CG2-CG1 4.4Å; K76-V82 HydrophobicContact CB-CG1 4.15Å; K76-V82 HydrophobicContact CB-CG2 4.27Å; K76-V82 HydrophobicContact CD-CG2 4.31Å; E77-V82 VanDerWaalsContact O-CG2 3.3Å; E77-V82 WeakPolarHBondContact O-CG2 3.32Å; T79-V82 HydrophobicContact CG2-CG2 4.34Å; T79-V82 PolarHBondContact O-N 3.5Å; T79-V82 WeakPolarHBondContact OG1-CG2 3.4Å; V82-C84 VanDerWaalsContact C-N 3.34Å; V82-C84 PolarHBondContact O-N 3.09Å; V82-N85 WeakPolarHBondContact O-CB 3.27Å; V82-N85 PolarHBondContact O-N 3.12Å; V82-L86 HydrophobicContact CG1-CD1 3.97Å; V82-L86 HydrophobicContact CG1-CG 4.39Å; V82-L86 WeakPolarHBondContact O-CG 3.47Å; V82-L86 PolarHBondContact O-N 3.45Å |
| 83 | V | 80.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.9 | -49.5 | 177.8 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | I29 N85 L86 V87 I94 I106 Q109 T110 Y113 | I29-V83 HydrophobicContact CD1-CG2 3.98Å; V83-N85 PolarHBondContact O-N 3.03Å; V83-L86 WeakPolarHBondContact O-CB 3.49Å; V83-L86 PolarHBondContact O-N 3.31Å; V83-L86 VanDerWaalsContact O-N 3.16Å; V83-V87 HydrophobicContact CG1-CG2 4.37Å; V83-V87 WeakPolarHBondContact O-CG2 3.2Å; V83-V87 PolarHBondContact O-N 2.93Å; V83-I94 HydrophobicContact CG1-CD1 4.13Å; V83-I106 HydrophobicContact CG2-CB 4.48Å; V83-I106 HydrophobicContact CG2-CG1 4.25Å; V83-I106 HydrophobicContact CG2-CG2 3.97Å; V83-Q109 HydrophobicContact CB-CB 4.27Å; V83-Q109 HydrophobicContact CG1-CB 4.05Å; V83-Q109 HydrophobicContact CG2-CB 4.28Å; V83-T110 HydrophobicContact CG1-CG2 3.83Å; V83-Y113 HydrophobicContact CG1-CE2 4.49Å |
| 84 | C | 80.7 | Confident | 81 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 112.6 | G81 V82 L86 V87 Q88 C364 | G81-C84 PolarHBondContact O-N 3.35Å; V82-C84 VanDerWaalsContact C-N 3.34Å; V82-C84 PolarHBondContact O-N 3.09Å; C84-L86 PolarHBondContact O-N 3.04Å; C84-V87 PolarHBondContact O-N 2.89Å; C84-Q88 WeakPolarHBondContact O-CG 3.27Å; C84-Q88 PolarHBondContact O-N 3.44Å; C84-C364 WeakPolarHBondContact CA-SG 3.22Å; C84-C364 HydrophobicContact CB-CB 3.78Å; C84-C364 WeakPolarHBondContact CB-SG 3.27Å; C84-C364 PolarHBondContact O-SG 3.47Å; C84-C364 VanDerWaalsContact O-SG 3.39Å; C84-C364 WeakPolarHBondContact SG-CB 3.07Å; C84-C364 CovalentContact SG-SG 2.06Å; C84-C364 PolarHBondContact SG-SG 2.77Å |
| 85 | N | 81.2 | Confident | 81.2 | Confident | 58 Ų | 58 | 40.9 Ų | 40.9 | 31% | 0.31 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.1 | -36.4 | 177.1 | -171.4 | -49.7 | 0 | 0 | 0 | 111.6 | K76 G81 V82 V83 N89 | K76-N85 PolarHBondContact NZ-ND2 3.26Å; K76-N85 PolarHBondContact NZ-OD1 2.94Å; G81-N85 WeakPolarHBondContact O-CB 3.18Å; G81-N85 PolarHBondContact O-N 3.31Å; V82-N85 WeakPolarHBondContact O-CB 3.27Å; V82-N85 PolarHBondContact O-N 3.12Å; V83-N85 PolarHBondContact O-N 3.03Å; N85-N89 PolarHBondContact O-N 2.95Å; N85-N89 PolarHBondContact O-ND2 3.44Å; N85-N89 PolarHBondContact OD1-ND2 3.29Å |
| 86 | L | 84.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.1 | -42.9 | 174.1 | -68 | 171.3 | 0 | 0 | 0 | 111.7 | I29 T74 V82 V83 C84 Q88 N89 D90 V91 I94 | I29-L86 HydrophobicContact CD1-CD1 3.93Å; I29-L86 HydrophobicContact CG1-CD1 3.82Å; T74-L86 VanDerWaalsContact OG1-CD2 3.23Å; T74-L86 WeakPolarHBondContact OG1-CD2 3.12Å; V82-L86 HydrophobicContact CG1-CD1 3.97Å; V82-L86 HydrophobicContact CG1-CG 4.39Å; V82-L86 WeakPolarHBondContact O-CG 3.47Å; V82-L86 PolarHBondContact O-N 3.45Å; V83-L86 WeakPolarHBondContact O-CB 3.49Å; V83-L86 PolarHBondContact O-N 3.31Å; V83-L86 VanDerWaalsContact O-N 3.16Å; C84-L86 PolarHBondContact O-N 3.04Å; L86-Q88 PolarHBondContact O-N 2.95Å; L86-N89 CarbonylContact O-C 3.42Å; L86-N89 WeakPolarHBondContact O-CA 3.41Å; L86-N89 PolarHBondContact O-N 3.16Å; L86-D90 PolarHBondContact O-N 3.5Å; L86-V91 HydrophobicContact CB-CB 4.02Å; L86-V91 HydrophobicContact CB-CG1 3.84Å; L86-V91 HydrophobicContact CB-CG2 4.4Å; L86-V91 VanDerWaalsContact O-CB 3.29Å; L86-V91 WeakPolarHBondContact O-CB 3.5Å; L86-V91 WeakPolarHBondContact O-CG1 3.43Å; L86-V91 PolarHBondContact O-N 3.41Å; L86-V91 VanDerWaalsContact O-N 3.12Å; L86-I94 HydrophobicContact CD1-CG1 4.5Å |
| 87 | V | 80.8 | Confident | 81.4 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -45.6 | 175.3 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | V83 C84 N89 D90 Y113 I115 | V83-V87 HydrophobicContact CG1-CG2 4.37Å; V83-V87 WeakPolarHBondContact O-CG2 3.2Å; V83-V87 PolarHBondContact O-N 2.93Å; C84-V87 PolarHBondContact O-N 2.89Å; V87-N89 PolarHBondContact O-N 3Å; V87-D90 PolarHBondContact O-N 3.15Å; V87-Y113 HydrophobicContact CG1-CD1 4.02Å; V87-Y113 HydrophobicContact CG1-CE1 4.3Å; V87-Y113 HydrophobicContact CG1-CG 4.34Å; V87-Y113 HydrophobicContact CG2-CD1 4.45Å; V87-Y113 HydrophobicContact CG2-CD2 3.91Å; V87-Y113 HydrophobicContact CG2-CE2 4.19Å; V87-Y113 HydrophobicContact CG2-CG 4.06Å; V87-I115 HydrophobicContact CB-CD1 4.19Å; V87-I115 HydrophobicContact CG1-CD1 4.15Å; V87-I115 HydrophobicContact CG2-CD1 3.33Å |
| 88 | Q | 78.9 | Confident | 81.4 | Confident | 111 Ų | 111 | 31 Ų | 31 | 52% | 0.519 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.7 | -22.2 | 176 | -74.9 | -179.4 | -21.6 | 0 | 0 | 113.6 | C84 L86 D90 | C84-Q88 WeakPolarHBondContact O-CG 3.27Å; C84-Q88 PolarHBondContact O-N 3.44Å; L86-Q88 PolarHBondContact O-N 2.95Å; Q88-D90 VanDerWaalsContact C-N 3.33Å |
| 89 | N | 80.7 | Confident | 81.3 | Confident | 71 Ų | 71 | 30 Ų | 30 | 38% | 0.38 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 19 | 176.8 | -76 | -55.6 | 0 | 0 | 0 | 112.6 | H25 N85 L86 V87 | H25-N89 PolarHBondContact CE1-O 3.06Å; H25-N89 PolarHBondContact ND1-O 3.46Å; N85-N89 PolarHBondContact O-N 2.95Å; N85-N89 PolarHBondContact O-ND2 3.44Å; N85-N89 PolarHBondContact OD1-ND2 3.29Å; L86-N89 CarbonylContact O-C 3.42Å; L86-N89 WeakPolarHBondContact O-CA 3.41Å; L86-N89 PolarHBondContact O-N 3.16Å; V87-N89 PolarHBondContact O-N 3Å |
| 90 | D | 77.3 | Confident | 81.3 | Confident | 74 Ų | 74 | 27.6 Ų | 27.6 | 40% | 0.396 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 47.3 | -180 | -56.9 | -25.9 | 0 | 0 | 0 | 112.6 | H25 L86 V87 Q88 H92 S360 | H25-D90 WeakPolarHBondContact CB-O 3.49Å; H25-D90 PolarHBondContact ND1-O 3.24Å; L86-D90 PolarHBondContact O-N 3.5Å; V87-D90 PolarHBondContact O-N 3.15Å; Q88-D90 VanDerWaalsContact C-N 3.33Å; D90-H92 PolarHBondContact O-CE1 3.23Å; D90-H92 PolarHBondContact O-ND1 3.32Å; D90-S360 WeakPolarHBondContact OD1-CB 3.46Å |
| 91 | V | 81.4 | Confident | 81.4 | Confident | 10 Ų | 10 | 25.3 Ų | 25.3 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | trans | -68.6 | 135.8 | 172.8 | 78.5 | 0 | 0 | 0 | 0 | 110.3 | H25 G27 L86 V93 I94 I115 | H25-V91 PolarHBondContact ND1-N 3.38Å; G27-V91 VanDerWaalsContact N-CG2 3.32Å; L86-V91 HydrophobicContact CB-CB 4.02Å; L86-V91 HydrophobicContact CB-CG1 3.84Å; L86-V91 HydrophobicContact CB-CG2 4.4Å; L86-V91 VanDerWaalsContact O-CB 3.29Å; L86-V91 WeakPolarHBondContact O-CB 3.5Å; L86-V91 WeakPolarHBondContact O-CG1 3.43Å; L86-V91 PolarHBondContact O-N 3.41Å; L86-V91 VanDerWaalsContact O-N 3.12Å; V91-V93 VanDerWaalsContact CG2-O 3.27Å; V91-V93 WeakPolarHBondContact CG2-O 3.5Å; V91-I94 HydrophobicContact CG1-CD1 3.96Å; V91-I94 HydrophobicContact CG1-CG1 3.87Å; V91-I94 HydrophobicContact CG2-CG1 4.08Å; V91-I115 HydrophobicContact CG1-CD1 3.99Å; V91-I115 HydrophobicContact CG1-CG2 4.4Å | ||
| 92 | H | 79.5 | Confident | 81.7 | Confident | 15 Ų | 15 | 24.6 Ų | 24.6 | 7% | 0.069 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -100.6 | -30.6 | 179.6 | -62.4 | 72.2 | 0 | 0 | 0 | 111.9 | L24 H25 D90 P116 M356 | L24-H92 HydrophobicContact CD1-CB 3.87Å; H25-H92 PolarHBondContact N-ND1 2.87Å; H25-H92 PolarHBondContact O-N 3.35Å; D90-H92 PolarHBondContact O-CE1 3.23Å; D90-H92 PolarHBondContact O-ND1 3.32Å; H92-P116 WeakPolarHBondContact O-CD 3.42Å; H92-M356 PolarHBondContact CD2-SD 3.47Å |
| 93 | V | 85.7 | Confident | 81.6 | Confident | 9 Ų | 9 | 24.2 Ų | 24.2 | 6% | 0.055 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 135.1 | 179.2 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | H25 I26 G27 V91 I95 P116 I118 | H25-V93 PolarHBondContact O-N 3.3Å; I26-V93 WeakPolarHBondContact CA-O 3.16Å; I26-V93 HydrophobicContact CD1-CB 4.32Å; I26-V93 HydrophobicContact CG1-CB 4.32Å; I26-V93 HydrophobicContact CG2-CB 4.38Å; G27-V93 PolarHBondContact N-O 3.43Å; V91-V93 VanDerWaalsContact CG2-O 3.27Å; V91-V93 WeakPolarHBondContact CG2-O 3.5Å; V93-I95 HydrophobicContact CG1-CG1 4.34Å; V93-P116 HydrophobicContact CG2-CB 4.34Å; V93-I118 HydrophobicContact CG1-CD1 3.83Å; V93-I118 HydrophobicContact CG1-CG1 4.46Å |
| 94 | I | 89.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.1 | 174.5 | -64.8 | 168.2 | 0 | 0 | 0 | 108.9 | G27 I29 V83 L86 V91 I106 T110 I115 P116 Y117 I118 | G27-I94 CarbonylContact O-C 3.56Å; G27-I94 WeakPolarHBondContact O-CA 3.37Å; I29-I94 HydrophobicContact CD1-CG2 3.72Å; I29-I94 HydrophobicContact CG1-CG2 4.24Å; V83-I94 HydrophobicContact CG1-CD1 4.13Å; L86-I94 HydrophobicContact CD1-CG1 4.5Å; V91-I94 HydrophobicContact CG1-CD1 3.96Å; V91-I94 HydrophobicContact CG1-CG1 3.87Å; V91-I94 HydrophobicContact CG2-CG1 4.08Å; I94-I106 HydrophobicContact CG2-CG2 4.37Å; I94-T110 HydrophobicContact CD1-CG2 3.68Å; I94-I115 HydrophobicContact CD1-CD1 4.49Å; I94-I115 HydrophobicContact CD1-CG2 3.99Å; I94-I115 HydrophobicContact CG1-CG2 4.04Å; I94-P116 PolarHBondContact N-O 3.31Å; I94-Y117 HydrophobicContact CB-CD2 4.2Å; I94-Y117 HydrophobicContact CG2-CD2 3.89Å; I94-Y117 HydrophobicContact CG2-CE2 4.29Å; I94-Y117 CarbonylContact O-C 3.49Å; I94-Y117 WeakPolarHBondContact O-CA 2.97Å; I94-I118 PolarHBondContact O-N 3.12Å |
| 95 | I | 90.7 | Very high | 80.8 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.3 | 173.3 | -53.6 | 178.9 | 0 | 0 | 0 | 107.4 | I26 G27 I28 I29 V93 I118 I120 A334 M337 I338 | I26-I95 HydrophobicContact CG2-CD1 3.87Å; I26-I95 HydrophobicContact CG2-CG1 4.09Å; G27-I95 PolarHBondContact O-N 3.22Å; I28-I95 CarbonylContact C-O 3.56Å; I28-I95 VanDerWaalsContact CA-O 3.28Å; I28-I95 WeakPolarHBondContact CA-O 3.33Å; I28-I95 HydrophobicContact CG1-CB 4.48Å; I29-I95 PolarHBondContact N-O 3.29Å; V93-I95 HydrophobicContact CG1-CG1 4.34Å; I95-I118 CarbonylContact C-O 3.54Å; I95-I118 WeakPolarHBondContact CA-O 3.43Å; I95-I118 HydrophobicContact CG1-CB 4.21Å; I95-I118 HydrophobicContact CG1-CD1 4.18Å; I95-I118 HydrophobicContact CG2-CG2 4.49Å; I95-I120 HydrophobicContact CG2-CD1 4.01Å; I95-A334 HydrophobicContact CG2-CB 4.26Å; I95-M337 HydrophobicContact CD1-CB 4.38Å; I95-I338 HydrophobicContact CD1-CD1 4.47Å; I95-I338 HydrophobicContact CD1-CG1 3.73Å |
| 96 | S | 90.6 | Very high | 80.7 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.8 | 174.8 | 68.1 | 0 | 0 | 0 | 0 | 112.6 | I29 Y117 I118 I120 | I29-S96 CarbonylContact O-C 3.52Å; I29-S96 VanDerWaalsContact O-CA 3.27Å; I29-S96 WeakPolarHBondContact O-CA 3.12Å; S96-Y117 VanDerWaalsContact OG-CE2 3.27Å; S96-Y117 WeakPolarHBondContact OG-CE2 3.43Å; S96-Y117 VanDerWaalsContact OG-CZ 3.31Å; S96-Y117 PolarHBondContact OG-OH 2.89Å; S96-I118 PolarHBondContact N-O 2.77Å; S96-I120 WeakPolarHBondContact O-CA 3.48Å; S96-I120 WeakPolarHBondContact O-CB 3.43Å; S96-I120 PolarHBondContact O-N 2.76Å |
| 97 | L | 87.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 63.1 | 171.9 | -54.3 | -178.2 | 0 | 0 | 0 | 109.2 | I28 I29 L34 I120 R330 A334 | I28-L97 HydrophobicContact CG2-CD1 4.25Å; I28-L97 HydrophobicContact CG2-CG 4.35Å; I29-L97 PolarHBondContact O-N 2.78Å; L34-L97 HydrophobicContact CD1-CB 3.94Å; L34-L97 HydrophobicContact CD1-CD1 4.15Å; L34-L97 HydrophobicContact CD2-CD1 4.43Å; L97-I120 HydrophobicContact CD2-CB 3.83Å; L97-I120 HydrophobicContact CD2-CD1 3.69Å; L97-I120 HydrophobicContact CD2-CG1 4.17Å; L97-I120 HydrophobicContact CD2-CG2 4.22Å; L97-R330 HydrophobicContact CD2-CB 4.14Å; L97-A334 HydrophobicContact CD2-CB 4.27Å |
| 98 | T | 84.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -127.3 | 176.9 | -168 | 59.7 | 0 | 0 | 0 | 0 | 113 | I29 D31 I102 A103 I106 P121 R122 | I29-T98 HydrophobicContact CG2-CG2 4.11Å; D31-T98 HydrophobicContact CB-CG2 4.04Å; D31-T98 WeakPolarHBondContact OD2-CA 3.33Å; T98-I102 HydrophobicContact CG2-CG2 3.8Å; T98-A103 PolarHBondContact OG1-N 3.39Å; T98-I106 HydrophobicContact CG2-CD1 4.29Å; T98-P121 CarbonylContact O-C 3.54Å; T98-P121 WeakPolarHBondContact O-CA 3.37Å; T98-R122 PolarHBondContact O-N 3Å | ||
| 99 | A | 77.3 | Confident | 79.3 | Confident | 12 Ų | 12 | 25.8 Ų | 25.8 | 10% | 0.099 | 15% | 0.145 | C | C | . | . | trans | -63.3 | 156.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D31 E33 N101 I102 A103 R122 | D31-A99 WeakPolarHBondContact OD2-CB 3.35Å; D31-A99 PolarHBondContact OD2-N 3.15Å; E33-A99 HydrophobicContact CG-CB 4.23Å; A99-N101 VanDerWaalsContact C-N 3.34Å; A99-N101 WeakPolarHBondContact CB-OD1 3.28Å; A99-N101 PolarHBondContact O-N 3.18Å; A99-I102 HydrophobicContact CB-CD1 4.29Å; A99-I102 HydrophobicContact CB-CG1 4.47Å; A99-I102 PolarHBondContact O-N 3.18Å; A99-I102 VanDerWaalsContact O-N 3.15Å; A99-A103 WeakPolarHBondContact O-CB 3.28Å; A99-A103 PolarHBondContact O-N 2.97Å; A99-R122 VanDerWaalsContact CA-O 3.22Å; A99-R122 WeakPolarHBondContact CA-O 3.49Å | ||
| 100 | C | 74.9 | Confident | 79.1 | Confident | 21 Ų | 21 | 22.4 Ų | 22.4 | 14% | 0.142 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.9 | -45 | -178.3 | 179.1 | 0 | 0 | 0 | 0 | 112.9 | I102 A103 Q104 P121 C125 | C100-I102 VanDerWaalsContact C-N 3.34Å; C100-I102 PolarHBondContact O-N 3.38Å; C100-A103 PolarHBondContact O-N 3.41Å; C100-Q104 WeakPolarHBondContact O-CG 3.38Å; C100-Q104 PolarHBondContact O-N 3.15Å; C100-P121 HydrophobicContact CB-CB 4.38Å; C100-C125 WeakPolarHBondContact CA-SG 3.31Å; C100-C125 HydrophobicContact CB-CB 4.35Å; C100-C125 WeakPolarHBondContact CB-SG 3.39Å; C100-C125 WeakPolarHBondContact SG-CA 3.44Å; C100-C125 WeakPolarHBondContact SG-CB 3.28Å; C100-C125 CovalentContact SG-SG 2.02Å; C100-C125 PolarHBondContact SG-SG 3.13Å |
| 101 | N | 69.4 | Low | 78.6 | Confident | 60 Ų | 60 | 23.6 Ų | 23.6 | 32% | 0.321 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.1 | -41 | 176.8 | 56.5 | -8.6 | 0 | 0 | 0 | 112.4 | A99 L105 | A99-N101 VanDerWaalsContact C-N 3.34Å; A99-N101 WeakPolarHBondContact CB-OD1 3.28Å; A99-N101 PolarHBondContact O-N 3.18Å; N101-L105 PolarHBondContact O-N 3.37Å; N101-L105 VanDerWaalsContact O-N 3.13Å |
| 102 | I | 76.7 | Confident | 77.7 | Confident | 29 Ų | 29 | 26.9 Ų | 26.9 | 15% | 0.149 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.3 | -40.9 | 177.5 | -67 | 172.8 | 0 | 0 | 0 | 110.4 | D31 F78 T98 A99 C100 Q104 L105 I106 | D31-I102 HydrophobicContact CB-CD1 4.12Å; D31-I102 WeakPolarHBondContact OD2-CD1 3.3Å; F78-I102 HydrophobicContact CB-CG2 4.25Å; F78-I102 HydrophobicContact CD1-CD1 3.96Å; F78-I102 HydrophobicContact CD1-CG1 4.22Å; F78-I102 HydrophobicContact CD1-CG2 3.75Å; F78-I102 HydrophobicContact CD2-CG2 3.45Å; F78-I102 VanDerWaalsContact CD2-CG2 3.45Å; F78-I102 HydrophobicContact CE1-CD1 4.35Å; F78-I102 HydrophobicContact CE1-CG1 4.17Å; F78-I102 HydrophobicContact CE1-CG2 3.96Å; F78-I102 HydrophobicContact CE2-CG2 3.67Å; F78-I102 HydrophobicContact CG-CG2 3.5Å; F78-I102 HydrophobicContact CZ-CG2 3.94Å; T98-I102 HydrophobicContact CG2-CG2 3.8Å; A99-I102 HydrophobicContact CB-CD1 4.29Å; A99-I102 HydrophobicContact CB-CG1 4.47Å; A99-I102 PolarHBondContact O-N 3.18Å; A99-I102 VanDerWaalsContact O-N 3.15Å; C100-I102 VanDerWaalsContact C-N 3.34Å; C100-I102 PolarHBondContact O-N 3.38Å; I102-Q104 VanDerWaalsContact C-N 3.33Å; I102-Q104 PolarHBondContact O-N 3.33Å; I102-L105 WeakPolarHBondContact O-CB 3.35Å; I102-L105 PolarHBondContact O-N 3.21Å; I102-L105 VanDerWaalsContact O-N 3.15Å; I102-I106 HydrophobicContact CG2-CD1 3.88Å; I102-I106 HydrophobicContact CG2-CG1 4.4Å; I102-I106 WeakPolarHBondContact O-CG1 3.27Å; I102-I106 PolarHBondContact O-N 3.32Å |
| 103 | A | 82.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T98 A99 C100 L105 I106 E107 Y117 A119 P121 W143 | T98-A103 PolarHBondContact OG1-N 3.39Å; A99-A103 WeakPolarHBondContact O-CB 3.28Å; A99-A103 PolarHBondContact O-N 2.97Å; C100-A103 PolarHBondContact O-N 3.41Å; A103-L105 VanDerWaalsContact C-N 3.3Å; A103-L105 PolarHBondContact O-N 3.31Å; A103-I106 PolarHBondContact O-N 2.93Å; A103-E107 WeakPolarHBondContact O-CB 3.39Å; A103-E107 PolarHBondContact O-N 3.41Å; A103-Y117 VanDerWaalsContact CA-OH 3.23Å; A103-Y117 WeakPolarHBondContact CA-OH 3.44Å; A103-Y117 WeakPolarHBondContact CB-OH 3.24Å; A103-Y117 WeakPolarHBondContact O-CE1 3.2Å; A103-Y117 PolarHBondContact O-OH 3.48Å; A103-A119 HydrophobicContact CB-CB 4.33Å; A103-P121 HydrophobicContact CB-CB 4.12Å; A103-W143 HydrophobicContact CB-CH2 3.59Å; A103-W143 HydrophobicContact CB-CZ3 3.64Å |
| 104 | Q | 75.3 | Confident | 76.4 | Confident | 75 Ų | 75 | 28.1 Ų | 28.1 | 35% | 0.35 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64 | -37 | 174.1 | -72.5 | 177 | -0.5 | 0 | 0 | 112.1 | C100 I102 E107 A108 W143 | C100-Q104 WeakPolarHBondContact O-CG 3.38Å; C100-Q104 PolarHBondContact O-N 3.15Å; I102-Q104 VanDerWaalsContact C-N 3.33Å; I102-Q104 PolarHBondContact O-N 3.33Å; Q104-E107 WeakPolarHBondContact O-CB 3.34Å; Q104-E107 PolarHBondContact O-N 2.95Å; Q104-A108 PolarHBondContact O-N 3.28Å; Q104-W143 HydrophobicContact CG-CH2 3.86Å; Q104-W143 HydrophobicContact CG-CZ2 4.29Å |
| 105 | L | 69.9 | Low | 75.7 | Confident | 49 Ų | 49 | 28.4 Ų | 28.4 | 26% | 0.257 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.6 | -42.8 | 175.1 | 179.4 | 61.6 | 0 | 0 | 0 | 111.5 | F78 F80 N101 I102 A103 E107 A108 Q109 | F78-L105 HydrophobicContact CE1-CD2 4.5Å; F78-L105 HydrophobicContact CE2-CD2 4.44Å; F78-L105 HydrophobicContact CZ-CD2 3.65Å; F80-L105 HydrophobicContact CD1-CD2 4.2Å; F80-L105 HydrophobicContact CE1-CD2 3.7Å; N101-L105 PolarHBondContact O-N 3.37Å; N101-L105 VanDerWaalsContact O-N 3.13Å; I102-L105 WeakPolarHBondContact O-CB 3.35Å; I102-L105 PolarHBondContact O-N 3.21Å; I102-L105 VanDerWaalsContact O-N 3.15Å; A103-L105 VanDerWaalsContact C-N 3.3Å; A103-L105 PolarHBondContact O-N 3.31Å; L105-E107 VanDerWaalsContact C-N 3.31Å; L105-E107 PolarHBondContact O-N 3.42Å; L105-A108 PolarHBondContact O-N 3.38Å; L105-Q109 WeakPolarHBondContact O-CG 3.48Å; L105-Q109 PolarHBondContact O-N 2.83Å |
| 106 | I | 78.3 | Confident | 75.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | 174.5 | -64.3 | 164.7 | 0 | 0 | 0 | 110.3 | I29 F78 V83 I94 T98 I102 A103 A108 Q109 T110 Y117 | I29-I106 HydrophobicContact CB-CD1 4.35Å; I29-I106 HydrophobicContact CD1-CD1 4.04Å; I29-I106 HydrophobicContact CD1-CG1 4.43Å; I29-I106 HydrophobicContact CD1-CG2 4.33Å; I29-I106 HydrophobicContact CG2-CD1 3.98Å; F78-I106 HydrophobicContact CD2-CD1 4Å; F78-I106 HydrophobicContact CD2-CG1 4.16Å; F78-I106 HydrophobicContact CE2-CD1 4.29Å; F78-I106 HydrophobicContact CE2-CG1 3.95Å; V83-I106 HydrophobicContact CG2-CB 4.48Å; V83-I106 HydrophobicContact CG2-CG1 4.25Å; V83-I106 HydrophobicContact CG2-CG2 3.97Å; I94-I106 HydrophobicContact CG2-CG2 4.37Å; T98-I106 HydrophobicContact CG2-CD1 4.29Å; I102-I106 HydrophobicContact CG2-CD1 3.88Å; I102-I106 HydrophobicContact CG2-CG1 4.4Å; I102-I106 WeakPolarHBondContact O-CG1 3.27Å; I102-I106 PolarHBondContact O-N 3.32Å; A103-I106 PolarHBondContact O-N 2.93Å; I106-A108 PolarHBondContact O-N 3.32Å; I106-Q109 CarbonylContact O-C 3.55Å; I106-Q109 PolarHBondContact O-N 3.48Å; I106-T110 HydrophobicContact CG2-CG2 3.91Å; I106-T110 WeakPolarHBondContact O-CB 3.49Å; I106-T110 VanDerWaalsContact O-CG2 3.27Å; I106-T110 WeakPolarHBondContact O-CG2 3.28Å; I106-T110 PolarHBondContact O-N 2.82Å; I106-T110 PolarHBondContact O-OG1 3.05Å; I106-Y117 HydrophobicContact CB-CE1 4.28Å; I106-Y117 HydrophobicContact CB-CE2 4.17Å; I106-Y117 HydrophobicContact CG2-CD1 4.44Å; I106-Y117 HydrophobicContact CG2-CD2 3.79Å; I106-Y117 HydrophobicContact CG2-CE1 4.05Å; I106-Y117 HydrophobicContact CG2-CE2 3.38Å; I106-Y117 HydrophobicContact CG2-CG 4.32Å |
| 107 | E | 77.4 | Confident | 75 | Confident | 16 Ų | 16 | 29.7 Ų | 29.7 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56 | -52.1 | 173.8 | -164.5 | -175.7 | -152.2 | 0 | 0 | 110.9 | A103 Q104 L105 Q109 T110 I111 Y117 K127 T141 W143 | A103-E107 WeakPolarHBondContact O-CB 3.39Å; A103-E107 PolarHBondContact O-N 3.41Å; Q104-E107 WeakPolarHBondContact O-CB 3.34Å; Q104-E107 PolarHBondContact O-N 2.95Å; L105-E107 VanDerWaalsContact C-N 3.31Å; L105-E107 PolarHBondContact O-N 3.42Å; E107-Q109 PolarHBondContact O-N 3.24Å; E107-T110 WeakPolarHBondContact CA-OG1 3.12Å; E107-T110 PolarHBondContact O-N 3.43Å; E107-T110 VanDerWaalsContact O-N 3.17Å; E107-T110 PolarHBondContact O-OG1 3.43Å; E107-T110 VanDerWaalsContact O-OG1 3.09Å; E107-I111 HydrophobicContact CG-CD1 3.98Å; E107-I111 HydrophobicContact CG-CG1 4.47Å; E107-I111 WeakPolarHBondContact O-CD1 3.2Å; E107-I111 VanDerWaalsContact O-CG1 3.26Å; E107-I111 WeakPolarHBondContact O-CG1 3.45Å; E107-I111 PolarHBondContact O-N 2.98Å; E107-I111 VanDerWaalsContact O-N 3.08Å; E107-Y117 HydrophobicContact CB-CD1 4.08Å; E107-Y117 HydrophobicContact CB-CE1 3.83Å; E107-Y117 HydrophobicContact CG-CD1 4.26Å; E107-Y117 HydrophobicContact CG-CE1 4.39Å; E107-K127 IonicContact OE1-NZ 4Å; E107-K127 IonicContact OE2-NZ 2.85Å; E107-K127 PolarHBondContact OE2-NZ 2.97Å; E107-T141 HydrophobicContact CG-CG2 3.58Å; E107-T141 PolarHBondContact OE1-OG1 3.04Å; E107-W143 HydrophobicContact CB-CZ2 4.15Å; E107-W143 HydrophobicContact CG-CZ2 4.3Å; E107-W143 PolarHBondContact OE1-NE1 2.92Å; E107-W143 WeakPolarHBondContact OE2-CZ2 3.49Å |
| 108 | A | 67.7 | Low | 75 | Confident | 60 Ų | 60 | 30.2 Ų | 30.2 | 50% | 0.496 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.7 | -33.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q104 L105 I106 P112 | Q104-A108 PolarHBondContact O-N 3.28Å; L105-A108 PolarHBondContact O-N 3.38Å; I106-A108 PolarHBondContact O-N 3.32Å; A108-P112 VanDerWaalsContact O-CD 3.24Å; A108-P112 WeakPolarHBondContact O-CD 3.43Å |
| 109 | Q | 70.1 | Confident | 75.1 | Confident | 41 Ų | 41 | 30.2 Ų | 30.2 | 19% | 0.192 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -79.1 | -28.7 | 177.3 | -72.2 | -173.8 | -17.4 | 0 | 0 | 113.7 | F80 V83 L105 I106 E107 Y113 | F80-Q109 PolarHBondContact O-NE2 3.03Å; V83-Q109 HydrophobicContact CB-CB 4.27Å; V83-Q109 HydrophobicContact CG1-CB 4.05Å; V83-Q109 HydrophobicContact CG2-CB 4.28Å; L105-Q109 WeakPolarHBondContact O-CG 3.48Å; L105-Q109 PolarHBondContact O-N 2.83Å; I106-Q109 CarbonylContact O-C 3.55Å; I106-Q109 PolarHBondContact O-N 3.48Å; E107-Q109 PolarHBondContact O-N 3.24Å; Q109-Y113 WeakPolarHBondContact O-CD2 3.42Å; Q109-Y113 WeakPolarHBondContact O-CE2 3.34Å |
| 110 | T | 75.7 | Confident | 75.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -88.1 | -31.6 | -175.1 | 48.4 | 0 | 0 | 0 | 0 | 113.2 | V83 I94 I106 E107 Y113 G114 Y117 | V83-T110 HydrophobicContact CG1-CG2 3.83Å; I94-T110 HydrophobicContact CD1-CG2 3.68Å; I106-T110 HydrophobicContact CG2-CG2 3.91Å; I106-T110 WeakPolarHBondContact O-CB 3.49Å; I106-T110 VanDerWaalsContact O-CG2 3.27Å; I106-T110 WeakPolarHBondContact O-CG2 3.28Å; I106-T110 PolarHBondContact O-N 2.82Å; I106-T110 PolarHBondContact O-OG1 3.05Å; E107-T110 WeakPolarHBondContact CA-OG1 3.12Å; E107-T110 PolarHBondContact O-N 3.43Å; E107-T110 VanDerWaalsContact O-N 3.17Å; E107-T110 PolarHBondContact O-OG1 3.43Å; E107-T110 VanDerWaalsContact O-OG1 3.09Å; T110-Y113 PolarHBondContact O-N 2.92Å; T110-Y113 VanDerWaalsContact O-N 3.1Å; T110-G114 PolarHBondContact O-N 2.91Å; T110-Y117 HydrophobicContact CG2-CG 4.28Å; T110-Y117 WeakPolarHBondContact OG1-CB 3.3Å |
| 111 | I | 67.6 | Low | 75.6 | Confident | 98 Ų | 98 | 29.1 Ų | 29.1 | 50% | 0.503 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -51.3 | -48.9 | 178 | -73.4 | 164.3 | 0 | 0 | 0 | 112.6 | E107 Y113 G114 T141 | E107-I111 HydrophobicContact CG-CD1 3.98Å; E107-I111 HydrophobicContact CG-CG1 4.47Å; E107-I111 WeakPolarHBondContact O-CD1 3.2Å; E107-I111 VanDerWaalsContact O-CG1 3.26Å; E107-I111 WeakPolarHBondContact O-CG1 3.45Å; E107-I111 PolarHBondContact O-N 2.98Å; E107-I111 VanDerWaalsContact O-N 3.08Å; I111-Y113 PolarHBondContact O-N 2.87Å; I111-G114 PolarHBondContact O-N 2.94Å; I111-T141 HydrophobicContact CG1-CG2 4Å |
| 112 | P | 62.7 | Low | 75.6 | Confident | 79 Ų | 79 | 28.1 Ų | 28.1 | 51% | 0.513 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -62.1 | -29.2 | -179.2 | -23.8 | 34.4 | 0 | 0 | 0 | 114.1 | A108 | A108-P112 VanDerWaalsContact O-CD 3.24Å; A108-P112 WeakPolarHBondContact O-CD 3.43Å |
| 113 | Y | 69.8 | Low | 75 | Confident | 24 Ų | 24 | 30.7 Ų | 30.7 | 9% | 0.094 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -85 | -9.4 | -178.8 | -60.5 | -66.1 | 0 | 0 | 0 | 113.2 | V83 V87 Q109 T110 I111 I115 I361 | V83-Y113 HydrophobicContact CG1-CE2 4.49Å; V87-Y113 HydrophobicContact CG1-CD1 4.02Å; V87-Y113 HydrophobicContact CG1-CE1 4.3Å; V87-Y113 HydrophobicContact CG1-CG 4.34Å; V87-Y113 HydrophobicContact CG2-CD1 4.45Å; V87-Y113 HydrophobicContact CG2-CD2 3.91Å; V87-Y113 HydrophobicContact CG2-CE2 4.19Å; V87-Y113 HydrophobicContact CG2-CG 4.06Å; Q109-Y113 WeakPolarHBondContact O-CD2 3.42Å; Q109-Y113 WeakPolarHBondContact O-CE2 3.34Å; T110-Y113 PolarHBondContact O-N 2.92Å; T110-Y113 VanDerWaalsContact O-N 3.1Å; I111-Y113 PolarHBondContact O-N 2.87Å; Y113-I115 HydrophobicContact CG-CD1 4.38Å; Y113-I115 PolarHBondContact O-N 3.31Å; Y113-I361 HydrophobicContact CD1-CD1 3.91Å |
| 114 | G | 68.1 | Low | 74.2 | Confident | 27 Ų | 27 | 32.4 Ų | 32.4 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 34.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T110 I111 M140 | T110-G114 PolarHBondContact O-N 2.91Å; I111-G114 PolarHBondContact O-N 2.94Å; G114-M140 VanDerWaalsContact CA-SD 3.56Å; G114-M140 WeakPolarHBondContact O-CE 3.26Å |
| 115 | I | 74.1 | Confident | 73.8 | Confident | 6 Ų | 6 | 29.4 Ų | 29.4 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | trans | -96.1 | 128.2 | 177.2 | -62.2 | 170 | 0 | 0 | 0 | 108.3 | V87 V91 I94 Y113 Y117 | V87-I115 HydrophobicContact CB-CD1 4.19Å; V87-I115 HydrophobicContact CG1-CD1 4.15Å; V87-I115 HydrophobicContact CG2-CD1 3.33Å; V91-I115 HydrophobicContact CG1-CD1 3.99Å; V91-I115 HydrophobicContact CG1-CG2 4.4Å; I94-I115 HydrophobicContact CD1-CD1 4.49Å; I94-I115 HydrophobicContact CD1-CG2 3.99Å; I94-I115 HydrophobicContact CG1-CG2 4.04Å; Y113-I115 HydrophobicContact CG-CD1 4.38Å; Y113-I115 PolarHBondContact O-N 3.31Å; I115-Y117 PolarHBondContact O-N 3.45Å | ||
| 116 | P | 80.9 | Confident | 73.4 | Confident | 25 Ų | 25 | 31.3 Ų | 31.3 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | trans | -51.9 | 119.6 | 168.2 | -25.1 | 32.5 | 0 | 0 | 0 | 111.5 | H92 V93 I94 M140 F355 | H92-P116 WeakPolarHBondContact O-CD 3.42Å; V93-P116 HydrophobicContact CG2-CB 4.34Å; I94-P116 PolarHBondContact N-O 3.31Å; P116-M140 WeakPolarHBondContact CA-O 3.41Å; P116-M140 HydrophobicContact CG-CE 4.15Å; P116-F355 HydrophobicContact CG-CE1 3.74Å; P116-F355 HydrophobicContact CG-CE2 4.45Å; P116-F355 HydrophobicContact CG-CZ 3.33Å | ||
| 117 | Y | 85.6 | Confident | 72.3 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.3 | -179 | 170.1 | -128.6 | 0 | 0 | 0 | 109.9 | I94 S96 A103 I106 E107 T110 I115 A119 M140 T141 L142 | I94-Y117 HydrophobicContact CB-CD2 4.2Å; I94-Y117 HydrophobicContact CG2-CD2 3.89Å; I94-Y117 HydrophobicContact CG2-CE2 4.29Å; I94-Y117 CarbonylContact O-C 3.49Å; I94-Y117 WeakPolarHBondContact O-CA 2.97Å; S96-Y117 VanDerWaalsContact OG-CE2 3.27Å; S96-Y117 WeakPolarHBondContact OG-CE2 3.43Å; S96-Y117 VanDerWaalsContact OG-CZ 3.31Å; S96-Y117 PolarHBondContact OG-OH 2.89Å; A103-Y117 VanDerWaalsContact CA-OH 3.23Å; A103-Y117 WeakPolarHBondContact CA-OH 3.44Å; A103-Y117 WeakPolarHBondContact CB-OH 3.24Å; A103-Y117 WeakPolarHBondContact O-CE1 3.2Å; A103-Y117 PolarHBondContact O-OH 3.48Å; I106-Y117 HydrophobicContact CB-CE1 4.28Å; I106-Y117 HydrophobicContact CB-CE2 4.17Å; I106-Y117 HydrophobicContact CG2-CD1 4.44Å; I106-Y117 HydrophobicContact CG2-CD2 3.79Å; I106-Y117 HydrophobicContact CG2-CE1 4.05Å; I106-Y117 HydrophobicContact CG2-CE2 3.38Å; I106-Y117 HydrophobicContact CG2-CG 4.32Å; E107-Y117 HydrophobicContact CB-CD1 4.08Å; E107-Y117 HydrophobicContact CB-CE1 3.83Å; E107-Y117 HydrophobicContact CG-CD1 4.26Å; E107-Y117 HydrophobicContact CG-CE1 4.39Å; T110-Y117 HydrophobicContact CG2-CG 4.28Å; T110-Y117 WeakPolarHBondContact OG1-CB 3.3Å; I115-Y117 PolarHBondContact O-N 3.45Å; Y117-A119 HydrophobicContact CE1-CB 3.72Å; Y117-A119 HydrophobicContact CE2-CB 4.35Å; Y117-A119 WeakPolarHBondContact OH-CB 3.31Å; Y117-M140 PolarHBondContact N-O 3.49Å; Y117-T141 HydrophobicContact CD1-CG2 4.02Å; Y117-T141 CarbonylContact O-C 3.5Å; Y117-T141 VanDerWaalsContact O-CA 3.26Å; Y117-T141 WeakPolarHBondContact O-CA 3.32Å; Y117-L142 PolarHBondContact O-N 3.21Å |
| 118 | I | 87.5 | Confident | 71.1 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.062 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 107.6 | -179.9 | -59.4 | 166.5 | 0 | 0 | 0 | 107.6 | V93 I94 I95 S96 I120 L142 I144 M337 | V93-I118 HydrophobicContact CG1-CD1 3.83Å; V93-I118 HydrophobicContact CG1-CG1 4.46Å; I94-I118 PolarHBondContact O-N 3.12Å; I95-I118 CarbonylContact C-O 3.54Å; I95-I118 WeakPolarHBondContact CA-O 3.43Å; I95-I118 HydrophobicContact CG1-CB 4.21Å; I95-I118 HydrophobicContact CG1-CD1 4.18Å; I95-I118 HydrophobicContact CG2-CG2 4.49Å; S96-I118 PolarHBondContact N-O 2.77Å; I118-I120 HydrophobicContact CG2-CG1 4.39Å; I118-L142 CarbonylContact C-O 3.6Å; I118-L142 WeakPolarHBondContact CA-O 3.33Å; I118-L142 HydrophobicContact CG1-CB 4.42Å; I118-I144 HydrophobicContact CG2-CD1 3.37Å; I118-I144 HydrophobicContact CG2-CG1 3.98Å; I118-M337 HydrophobicContact CD1-CB 4.14Å; I118-M337 HydrophobicContact CD1-CE 3.66Å; I118-M337 HydrophobicContact CG1-CE 4.29Å; I118-M337 HydrophobicContact CG2-CE 4.31Å; I118-M337 HydrophobicContact CG2-CG 4.16Å |
| 119 | A | 85.7 | Confident | 70.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 121.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A103 Y117 P121 L142 W143 I144 | A103-A119 HydrophobicContact CB-CB 4.33Å; Y117-A119 HydrophobicContact CE1-CB 3.72Å; Y117-A119 HydrophobicContact CE2-CB 4.35Å; Y117-A119 WeakPolarHBondContact OH-CB 3.31Å; A119-P121 VanDerWaalsContact O-CD 3.27Å; A119-P121 WeakPolarHBondContact O-CD 3.26Å; A119-L142 PolarHBondContact N-O 3.36Å; A119-W143 HydrophobicContact CB-CD2 3.62Å; A119-W143 HydrophobicContact CB-CE3 3.39Å; A119-W143 HydrophobicContact CB-CG 4.26Å; A119-W143 HydrophobicContact CB-CH2 4.06Å; A119-W143 HydrophobicContact CB-CZ2 4.25Å; A119-W143 HydrophobicContact CB-CZ3 3.62Å; A119-I144 PolarHBondContact O-N 3.13Å |
| 120 | I | 85.6 | Confident | 68.8 | Low | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | trans | -116 | 72.5 | 172.3 | -49.2 | -179.5 | 0 | 0 | 0 | 108.3 | I95 S96 L97 I118 I144 R330 E333 A334 | I95-I120 HydrophobicContact CG2-CD1 4.01Å; S96-I120 WeakPolarHBondContact O-CA 3.48Å; S96-I120 WeakPolarHBondContact O-CB 3.43Å; S96-I120 PolarHBondContact O-N 2.76Å; L97-I120 HydrophobicContact CD2-CB 3.83Å; L97-I120 HydrophobicContact CD2-CD1 3.69Å; L97-I120 HydrophobicContact CD2-CG1 4.17Å; L97-I120 HydrophobicContact CD2-CG2 4.22Å; I118-I120 HydrophobicContact CG2-CG1 4.39Å; I120-I144 HydrophobicContact CG1-CB 4.17Å; I120-I144 HydrophobicContact CG1-CD1 4.43Å; I120-R330 HydrophobicContact CG2-CB 4.34Å; I120-R330 HydrophobicContact CG2-CG 3.78Å; I120-E333 HydrophobicContact CD1-CB 3.89Å; I120-E333 WeakPolarHBondContact CG2-OE2 3.07Å; I120-A334 HydrophobicContact CD1-CB 4.31Å | ||
| 121 | P | 78 | Confident | 67 | Low | 7 Ų | 7 | 52.7 Ų | 52.7 | 5% | 0.045 | 29% | 0.29 | C | S | . | . | trans | -76.7 | 154.5 | -170.6 | 33.9 | -39.5 | 0 | 0 | 0 | 113.4 | T98 C100 A103 A119 W143 Q145 | T98-P121 CarbonylContact O-C 3.54Å; T98-P121 WeakPolarHBondContact O-CA 3.37Å; C100-P121 HydrophobicContact CB-CB 4.38Å; A103-P121 HydrophobicContact CB-CB 4.12Å; A119-P121 VanDerWaalsContact O-CD 3.27Å; A119-P121 WeakPolarHBondContact O-CD 3.26Å; P121-W143 HydrophobicContact CB-CZ3 3.99Å; P121-W143 HydrophobicContact CG-CE3 3.76Å; P121-W143 HydrophobicContact CG-CZ3 3.73Å; P121-Q145 HydrophobicContact CG-CB 4.27Å | ||
| 122 | R | 69.7 | Low | 65.7 | Low | 39 Ų | 39 | 53.9 Ų | 53.9 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -141.5 | 134.4 | 159.6 | -77.1 | -159.3 | -179 | -165.4 | -0.5 | 113.6 | T98 A99 I267 L268 T269 | T98-R122 PolarHBondContact O-N 3Å; A99-R122 VanDerWaalsContact CA-O 3.22Å; A99-R122 WeakPolarHBondContact CA-O 3.49Å; R122-I267 PolarHBondContact NH1-O 3.47Å; R122-I267 VanDerWaalsContact NH2-C 3.28Å; R122-I267 PolarHBondContact NH2-O 3.3Å; R122-L268 PolarHBondContact NH2-O 3.21Å; R122-L268 VanDerWaalsContact NH2-O 3.11Å; R122-T269 VanDerWaalsContact NH1-CB 3.33Å; R122-T269 PolarHBondContact NH1-OG1 3.37Å |
| 123 | P | 63.4 | Low | 64.8 | Low | 83 Ų | 83 | 54.7 Ų | 54.7 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | S | Bend | cis | -65.5 | 174.7 | -5.3 | 29.5 | -35.7 | 0 | 0 | 0 | 112.5 | ||
| 124 | T | 64.3 | Low | 63.2 | Low | 36 Ų | 36 | 59.8 Ų | 59.8 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | trans | -53.8 | 132.6 | 175.6 | 26.6 | 0 | 0 | 0 | 0 | 111.3 | Q145 P146 E177 | T124-Q145 HydrophobicContact CG2-CB 4.41Å; T124-P146 HydrophobicContact CG2-CG 3.73Å; T124-E177 VanDerWaalsContact CB-OE1 3.29Å; T124-E177 WeakPolarHBondContact CB-OE1 3.42Å; T124-E177 PolarHBondContact OG1-OE1 3.34Å | ||
| 125 | C | 68.7 | Low | 61.7 | Low | 11 Ų | 11 | 63.7 Ų | 63.7 | 7% | 0.074 | 35% | 0.346 | C | S | . | . | trans | -86.6 | 143.8 | 176.9 | -65.9 | 0 | 0 | 0 | 0 | 111 | C100 K127 W143 Q145 | C100-C125 WeakPolarHBondContact CA-SG 3.31Å; C100-C125 HydrophobicContact CB-CB 4.35Å; C100-C125 WeakPolarHBondContact CB-SG 3.39Å; C100-C125 WeakPolarHBondContact SG-CA 3.44Å; C100-C125 WeakPolarHBondContact SG-CB 3.28Å; C100-C125 CovalentContact SG-SG 2.02Å; C100-C125 PolarHBondContact SG-SG 3.13Å; C125-K127 PolarHBondContact O-N 3.5Å; C125-K127 VanDerWaalsContact O-N 3.12Å; C125-W143 HydrophobicContact CB-CZ3 4.35Å; C125-W143 VanDerWaalsContact SG-CZ3 3.51Å; C125-Q145 PolarHBondContact O-NE2 3.31Å | ||
| 126 | S | 61.2 | Low | 59.8 | Low | 89 Ų | 89 | 73.9 Ų | 73.9 | 62% | 0.622 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -67.7 | -7.6 | -179.7 | 62.7 | 0 | 0 | 0 | 0 | 116.1 | E128 | S126-E128 PolarHBondContact O-N 3.21Š|
| 127 | K | 55.3 | Low | 57.9 | Low | 99 Ų | 99 | 79.1 Ų | 79.1 | 43% | 0.43 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -69.6 | 132.6 | -178.1 | -84.3 | -172.4 | 176.3 | -177 | 0 | 111.3 | E107 C125 I129 | E107-K127 IonicContact OE1-NZ 4Å; E107-K127 IonicContact OE2-NZ 2.85Å; E107-K127 PolarHBondContact OE2-NZ 2.97Å; C125-K127 PolarHBondContact O-N 3.5Å; C125-K127 VanDerWaalsContact O-N 3.12Å; K127-I129 PolarHBondContact O-N 2.99Å |
| 128 | E | 52.4 | Low | 56 | Low | 190 Ų | 190 | 85.3 Ų | 85.3 | 89% | 0.888 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 128.6 | 169.9 | -72.7 | 178.4 | 168.6 | 0 | 0 | 110.7 | S126 I130 | S126-E128 PolarHBondContact O-N 3.21Å; E128-I130 PolarHBondContact O-N 3.43Å |
| 129 | I | 45.5 | Very low | 54.3 | Low | 64 Ų | 64 | 87.9 Ų | 87.9 | 33% | 0.328 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 127.2 | 172.8 | -61.6 | -176.5 | 0 | 0 | 0 | 108.1 | K127 N131 Q145 T147 | K127-I129 PolarHBondContact O-N 2.99Å; I129-N131 PolarHBondContact O-N 3.4Å; I129-N131 VanDerWaalsContact O-N 3.11Å; I129-Q145 HydrophobicContact CD1-CG 4.44Å; I129-Q145 VanDerWaalsContact CD1-O 3.3Å; I129-Q145 WeakPolarHBondContact CD1-O 3.49Å; I129-T147 HydrophobicContact CB-CG2 4.21Å; I129-T147 HydrophobicContact CD1-CG2 3.3Å; I129-T147 HydrophobicContact CG1-CG2 3.77Å |
| 130 | I | 43.6 | Very low | 53.5 | Low | 93 Ų | 93 | 91.9 Ų | 91.9 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | trans | -64.1 | 115.3 | 173.1 | -61.4 | 171.2 | 0 | 0 | 0 | 107.8 | E128 L132 T139 | E128-I130 PolarHBondContact O-N 3.43Å; I130-L132 PolarHBondContact O-N 2.85Å; I130-L132 VanDerWaalsContact O-N 3.07Å; I130-T139 HydrophobicContact CD1-CG2 4.26Å; I130-T139 WeakPolarHBondContact CD1-OG1 3.39Å | ||
| 131 | N | 36.7 | Very low | 52.9 | Low | 121 Ų | 121 | 92.3 Ų | 92.3 | 65% | 0.647 | 49% | 0.493 | S | S | * | . | trans | -54.2 | 114.5 | 174.6 | -113.8 | -32.8 | 0 | 0 | 0 | 109.9 | I129 S133 N134 | I129-N131 PolarHBondContact O-N 3.4Å; I129-N131 VanDerWaalsContact O-N 3.11Å; N131-S133 PolarHBondContact O-N 3.48Å; N131-N134 PolarHBondContact O-N 2.99Å | ||
| 132 | L | 40.1 | Very low | 53 | Low | 122 Ų | 122 | 95 Ų | 95 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -55.5 | -21.8 | -175 | -122.9 | 82.8 | 0 | 0 | 0 | 113.5 | I130 N134 I135 L142 | I130-L132 PolarHBondContact O-N 2.85Å; I130-L132 VanDerWaalsContact O-N 3.07Å; L132-N134 VanDerWaalsContact C-N 3.27Å; L132-N134 PolarHBondContact O-N 2.96Å; L132-I135 HydrophobicContact CB-CD1 4.42Å; L132-I135 HydrophobicContact CD1-CD1 4.34Å; L132-I135 HydrophobicContact CG-CD1 3.8Å; L132-I135 WeakPolarHBondContact O-CG1 3.19Å; L132-L142 HydrophobicContact CD1-CD1 4.32Å |
| 133 | S | 44.9 | Very low | 53.3 | Low | 97 Ų | 97 | 94.4 Ų | 94.4 | 68% | 0.678 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -68.9 | -22 | 178.7 | 56 | 0 | 0 | 0 | 0 | 113.9 | N131 | N131-S133 PolarHBondContact O-N 3.48Š|
| 134 | N | 36.8 | Very low | 54 | Low | 130 Ų | 130 | 91.7 Ų | 91.7 | 70% | 0.695 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -106.4 | 15.9 | -172.9 | -82.8 | -13.8 | 0 | 0 | 0 | 114.3 | N131 L132 R136 | N131-N134 PolarHBondContact O-N 2.99Å; L132-N134 VanDerWaalsContact C-N 3.27Å; L132-N134 PolarHBondContact O-N 2.96Å; N134-R136 VanDerWaalsContact C-N 3.33Å; N134-R136 PolarHBondContact O-N 3.45Å |
| 135 | I | 35.2 | Very low | 54.5 | Low | 110 Ų | 110 | 90.7 Ų | 90.7 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | trans | -65.2 | 90.5 | -177.4 | -60.3 | 171.4 | 0 | 0 | 0 | 110.6 | L132 | L132-I135 HydrophobicContact CB-CD1 4.42Å; L132-I135 HydrophobicContact CD1-CD1 4.34Å; L132-I135 HydrophobicContact CG-CD1 3.8Å; L132-I135 WeakPolarHBondContact O-CG1 3.19Å | ||
| 136 | R | 35.7 | Very low | 54.4 | Low | 219 Ų | 219 | 91.4 Ų | 91.4 | 83% | 0.826 | 48% | 0.482 | S | S | * | . | trans | -94.3 | 86.1 | 148.9 | -66.2 | -172 | -150.8 | -175.1 | 7.6 | 107.5 | N134 T138 | N134-R136 VanDerWaalsContact C-N 3.33Å; N134-R136 PolarHBondContact O-N 3.45Å; R136-T138 PolarHBondContact O-N 2.83Å; R136-T138 PolarHBondContact O-OG1 3.27Å | ||
| 137 | T | 39.8 | Very low | 54.7 | Low | 136 Ų | 136 | 88.7 Ų | 88.7 | 83% | 0.834 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 47 | 16.4 | 148.5 | 52.6 | 0 | 0 | 0 | 0 | 122.1 | ||
| 138 | T | 46.5 | Very low | 55.4 | Low | 130 Ų | 130 | 85.3 Ų | 85.3 | 80% | 0.798 | 45% | 0.451 | S | S | * | . | trans | -110.1 | -14.5 | -172 | 45.2 | 0 | 0 | 0 | 0 | 118.2 | R136 | R136-T138 PolarHBondContact O-N 2.83Å; R136-T138 PolarHBondContact O-OG1 3.27Å | ||
| 139 | T | 50.9 | Low | 56.3 | Low | 66 Ų | 66 | 82.1 Ų | 82.1 | 41% | 0.405 | 44% | 0.436 | S | S | . | . | trans | -131 | 115 | 172.4 | 56 | 0 | 0 | 0 | 0 | 110.7 | I130 T141 | I130-T139 HydrophobicContact CD1-CG2 4.26Å; I130-T139 WeakPolarHBondContact CD1-OG1 3.39Å; T139-T141 PolarHBondContact O-N 3.05Å | ||
| 140 | M | 68.3 | Low | 57.6 | Low | 84 Ų | 84 | 85 Ų | 85 | 41% | 0.414 | 45% | 0.448 | S | S | . | . | trans | -75.3 | 7.2 | 171.6 | -83.8 | 170 | 131.3 | 0 | 0 | 112.8 | G114 P116 Y117 F355 | G114-M140 VanDerWaalsContact CA-SD 3.56Å; G114-M140 WeakPolarHBondContact O-CE 3.26Å; P116-M140 WeakPolarHBondContact CA-O 3.41Å; P116-M140 HydrophobicContact CG-CE 4.15Å; Y117-M140 PolarHBondContact N-O 3.49Å; M140-F355 HydrophobicContact CE-CE2 3.44Å; M140-F355 VanDerWaalsContact CE-CE2 3.44Å; M140-F355 HydrophobicContact CE-CZ 3.49Å; M140-F355 VanDerWaalsContact CE-CZ 3.49Å | ||
| 141 | T | 74.8 | Confident | 58.9 | Low | 13 Ų | 13 | 81 Ų | 81 | 8% | 0.08 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 119.9 | -173.8 | 62.6 | 0 | 0 | 0 | 0 | 109.1 | E107 I111 Y117 T139 | E107-T141 HydrophobicContact CG-CG2 3.58Å; E107-T141 PolarHBondContact OE1-OG1 3.04Å; I111-T141 HydrophobicContact CG1-CG2 4Å; Y117-T141 HydrophobicContact CD1-CG2 4.02Å; Y117-T141 CarbonylContact O-C 3.5Å; Y117-T141 VanDerWaalsContact O-CA 3.26Å; Y117-T141 WeakPolarHBondContact O-CA 3.32Å; T139-T141 PolarHBondContact O-N 3.05Å |
| 142 | L | 78.7 | Confident | 60.6 | Low | 62 Ų | 62 | 75.2 Ų | 75.2 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115 | 177.9 | 179.2 | 67.2 | 0 | 0 | 0 | 108.8 | Y117 I118 A119 L132 I144 M337 | Y117-L142 PolarHBondContact O-N 3.21Å; I118-L142 CarbonylContact C-O 3.6Å; I118-L142 WeakPolarHBondContact CA-O 3.33Å; I118-L142 HydrophobicContact CG1-CB 4.42Å; A119-L142 PolarHBondContact N-O 3.36Å; L132-L142 HydrophobicContact CD1-CD1 4.32Å; L142-I144 HydrophobicContact CD2-CD1 4.36Å; L142-I144 HydrophobicContact CD2-CG1 4.28Å; L142-I144 HydrophobicContact CG-CG1 4.2Å; L142-M337 HydrophobicContact CD2-CE 3.5Å; L142-M337 VanDerWaalsContact CD2-CE 3.5Å |
| 143 | W | 77.2 | Confident | 62.4 | Low | 27 Ų | 27 | 75.8 Ų | 75.8 | 10% | 0.102 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 115 | 176.1 | -70.6 | 86.1 | 0 | 0 | 0 | 109.8 | A103 Q104 E107 A119 P121 C125 | A103-W143 HydrophobicContact CB-CH2 3.59Å; A103-W143 HydrophobicContact CB-CZ3 3.64Å; Q104-W143 HydrophobicContact CG-CH2 3.86Å; Q104-W143 HydrophobicContact CG-CZ2 4.29Å; E107-W143 HydrophobicContact CB-CZ2 4.15Å; E107-W143 HydrophobicContact CG-CZ2 4.3Å; E107-W143 PolarHBondContact OE1-NE1 2.92Å; E107-W143 WeakPolarHBondContact OE2-CZ2 3.49Å; A119-W143 HydrophobicContact CB-CD2 3.62Å; A119-W143 HydrophobicContact CB-CE3 3.39Å; A119-W143 HydrophobicContact CB-CG 4.26Å; A119-W143 HydrophobicContact CB-CH2 4.06Å; A119-W143 HydrophobicContact CB-CZ2 4.25Å; A119-W143 HydrophobicContact CB-CZ3 3.62Å; P121-W143 HydrophobicContact CB-CZ3 3.99Å; P121-W143 HydrophobicContact CG-CE3 3.76Å; P121-W143 HydrophobicContact CG-CZ3 3.73Å; C125-W143 HydrophobicContact CB-CZ3 4.35Å; C125-W143 VanDerWaalsContact SG-CZ3 3.51Å |
| 144 | I | 77.4 | Confident | 63.8 | Low | 26 Ų | 26 | 72.5 Ų | 72.5 | 13% | 0.133 | 37% | 0.369 | C | S | . | . | trans | -101.6 | 93.2 | 176.5 | -56.9 | 179.7 | 0 | 0 | 0 | 107.4 | I118 A119 I120 L142 M337 | I118-I144 HydrophobicContact CG2-CD1 3.37Å; I118-I144 HydrophobicContact CG2-CG1 3.98Å; A119-I144 PolarHBondContact O-N 3.13Å; I120-I144 HydrophobicContact CG1-CB 4.17Å; I120-I144 HydrophobicContact CG1-CD1 4.43Å; L142-I144 HydrophobicContact CD2-CD1 4.36Å; L142-I144 HydrophobicContact CD2-CG1 4.28Å; L142-I144 HydrophobicContact CG-CG1 4.2Å; I144-M337 HydrophobicContact CD1-CE 3.97Å; I144-M337 HydrophobicContact CD1-CG 3.23Å; I144-M337 HydrophobicContact CD1-SD 3.41Å; I144-M337 WeakPolarHBondContact CD1-SD 3.4Å | ||
| 145 | Q | 75.4 | Confident | 65.5 | Low | 15 Ų | 15 | 66.8 Ų | 66.8 | 7% | 0.07 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -151.8 | 151.6 | 177.3 | 57.4 | 175.4 | 5 | 0 | 0 | 108.5 | P121 T124 C125 I129 | P121-Q145 HydrophobicContact CG-CB 4.27Å; T124-Q145 HydrophobicContact CG2-CB 4.41Å; C125-Q145 PolarHBondContact O-NE2 3.31Å; I129-Q145 HydrophobicContact CD1-CG 4.44Å; I129-Q145 VanDerWaalsContact CD1-O 3.3Å; I129-Q145 WeakPolarHBondContact CD1-O 3.49Å |
| 146 | P | 66.5 | Low | 67.4 | Low | 27 Ų | 27 | 62.5 Ų | 62.5 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | trans | -64 | 138.9 | 170 | 27.7 | -31.8 | 0 | 0 | 0 | 109.5 | T124 I267 | T124-P146 HydrophobicContact CG2-CG 3.73Å; P146-I267 HydrophobicContact CG-CD1 3.89Å; P146-I267 HydrophobicContact CG-CG1 4.48Å | ||
| 147 | T | 66.8 | Low | 69.3 | Low | 32 Ų | 32 | 55.9 Ų | 55.9 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | trans | -71.2 | 140.8 | 173.2 | 57.4 | 0 | 0 | 0 | 0 | 109.6 | I129 E149 Q150 T151 | I129-T147 HydrophobicContact CB-CG2 4.21Å; I129-T147 HydrophobicContact CD1-CG2 3.3Å; I129-T147 HydrophobicContact CG1-CG2 3.77Å; T147-E149 PolarHBondContact O-N 2.88Å; T147-Q150 PolarHBondContact O-N 3.32Å; T147-Q150 VanDerWaalsContact O-N 3.14Å; T147-Q150 WeakPolarHBondContact OG1-CB 3.35Å; T147-Q150 WeakPolarHBondContact OG1-CG 3.32Å; T147-Q150 PolarHBondContact OG1-N 3.32Å; T147-Q150 PolarHBondContact OG1-OE1 2.81Å; T147-T151 PolarHBondContact O-N 3.28Å; T147-T151 PolarHBondContact O-OG1 2.89Å | ||
| 148 | S | 70.2 | Confident | 70.8 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.6 | -32 | 173.5 | 52.7 | 0 | 0 | 0 | 0 | 112 | G152 L176 T180 | S148-G152 PolarHBondContact O-N 3.14Å; S148-L176 VanDerWaalsContact OG-CD2 3.29Å; S148-L176 WeakPolarHBondContact OG-CD2 3.3Å; S148-T180 PolarHBondContact O-OG1 2.95Å |
| 149 | E | 72 | Confident | 71.9 | Confident | 122 Ų | 122 | 47.2 Ų | 47.2 | 57% | 0.57 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.7 | -48.3 | 174.9 | -168.6 | -176 | 174.6 | 0 | 0 | 112.3 | T147 T151 G152 R153 F184 | T147-E149 PolarHBondContact O-N 2.88Å; E149-T151 PolarHBondContact O-N 3.28Å; E149-G152 PolarHBondContact O-N 3.16Å; E149-R153 WeakPolarHBondContact O-CB 3.48Å; E149-R153 PolarHBondContact O-N 3.25Å; E149-F184 HydrophobicContact CG-CE2 4.3Å; E149-F184 HydrophobicContact CG-CZ 4.04Å |
| 150 | Q | 71.9 | Confident | 72.8 | Confident | 125 Ų | 125 | 47.8 Ų | 47.8 | 58% | 0.584 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.2 | -42.3 | 177.6 | -76.2 | 165.2 | -19 | 0 | 0 | 111.8 | T147 R153 A154 | T147-Q150 PolarHBondContact O-N 3.32Å; T147-Q150 VanDerWaalsContact O-N 3.14Å; T147-Q150 WeakPolarHBondContact OG1-CB 3.35Å; T147-Q150 WeakPolarHBondContact OG1-CG 3.32Å; T147-Q150 PolarHBondContact OG1-N 3.32Å; T147-Q150 PolarHBondContact OG1-OE1 2.81Å; Q150-R153 PolarHBondContact O-N 3.45Å; Q150-A154 VanDerWaalsContact O-CB 3.29Å; Q150-A154 WeakPolarHBondContact O-CB 3.32Å; Q150-A154 PolarHBondContact O-N 2.93Å |
| 151 | T | 71 | Confident | 72.5 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 5% | 0.049 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.4 | -46.2 | 179 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | T147 E149 R153 A154 I155 E177 P265 | T147-T151 PolarHBondContact O-N 3.28Å; T147-T151 PolarHBondContact O-OG1 2.89Å; E149-T151 PolarHBondContact O-N 3.28Å; T151-R153 VanDerWaalsContact C-N 3.33Å; T151-R153 PolarHBondContact O-N 2.99Å; T151-A154 PolarHBondContact O-N 3.31Å; T151-I155 HydrophobicContact CG2-CD1 4.23Å; T151-I155 WeakPolarHBondContact O-CD1 3.46Å; T151-I155 VanDerWaalsContact O-CG1 3.27Å; T151-I155 WeakPolarHBondContact O-CG1 3.31Å; T151-I155 PolarHBondContact O-N 3.47Å; T151-E177 HydrophobicContact CG2-CG 4.26Å; T151-P265 HydrophobicContact CG2-CB 3.57Å |
| 152 | G | 73.2 | Confident | 72 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S148 E149 I155 Y156 | S148-G152 PolarHBondContact O-N 3.14Å; E149-G152 PolarHBondContact O-N 3.16Å; G152-I155 WeakPolarHBondContact O-CB 3.38Å; G152-I155 PolarHBondContact O-N 3.36Å; G152-Y156 PolarHBondContact O-N 3.44Å |
| 153 | R | 76.8 | Confident | 71.4 | Confident | 135 Ų | 135 | 60.3 Ų | 60.3 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 175.1 | -175.8 | 173.2 | 172.2 | -167.2 | -5 | 112.5 | E149 Q150 T151 I155 Y156 E157 F184 | E149-R153 WeakPolarHBondContact O-CB 3.48Å; E149-R153 PolarHBondContact O-N 3.25Å; Q150-R153 PolarHBondContact O-N 3.45Å; T151-R153 VanDerWaalsContact C-N 3.33Å; T151-R153 PolarHBondContact O-N 2.99Å; R153-I155 VanDerWaalsContact C-N 3.32Å; R153-I155 PolarHBondContact O-N 3.13Å; R153-Y156 WeakPolarHBondContact O-CB 3.36Å; R153-Y156 PolarHBondContact O-N 2.88Å; R153-Y156 VanDerWaalsContact O-N 3.17Å; R153-E157 HydrophobicContact CG-CG 4.3Å; R153-E157 IonicContact CZ-OE1 3.82Å; R153-E157 IonicContact NE-OE1 3.38Å; R153-E157 PolarHBondContact NE-OE1 3.34Å; R153-E157 IonicContact NH2-OE1 2.8Å; R153-E157 PolarHBondContact NH2-OE1 3.48Å; R153-E157 WeakPolarHBondContact O-CG 3.49Å; R153-E157 PolarHBondContact O-N 2.89Å; R153-F184 HydrophobicContact CB-CD2 4.23Å; R153-F184 HydrophobicContact CB-CE2 3.64Å; R153-F184 HydrophobicContact CB-CZ 3.82Å; R153-F184 HydrophobicContact CG-CE2 4.43Å; R153-F184 HydrophobicContact CG-CZ 4.24Å |
| 154 | A | 74.4 | Confident | 70.7 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 22% | 0.223 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q150 T151 Y156 E157 M158 F292 | Q150-A154 VanDerWaalsContact O-CB 3.29Å; Q150-A154 WeakPolarHBondContact O-CB 3.32Å; Q150-A154 PolarHBondContact O-N 2.93Å; T151-A154 PolarHBondContact O-N 3.31Å; A154-Y156 VanDerWaalsContact C-N 3.33Å; A154-Y156 PolarHBondContact O-N 3.36Å; A154-E157 PolarHBondContact O-N 2.96Å; A154-M158 WeakPolarHBondContact O-CB 3.23Å; A154-M158 WeakPolarHBondContact O-CG 3.29Å; A154-M158 PolarHBondContact O-N 2.99Å; A154-F292 HydrophobicContact CB-CE1 3.57Å; A154-F292 HydrophobicContact CB-CZ 3.92Å |
| 155 | I | 73.3 | Confident | 69.9 | Low | 11 Ų | 11 | 60.6 Ų | 60.6 | 6% | 0.056 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.1 | -47.9 | 170.5 | -71.1 | 159.7 | 0 | 0 | 0 | 110.5 | T151 G152 R153 M158 S159 A181 F246 P265 F292 | T151-I155 HydrophobicContact CG2-CD1 4.23Å; T151-I155 WeakPolarHBondContact O-CD1 3.46Å; T151-I155 VanDerWaalsContact O-CG1 3.27Å; T151-I155 WeakPolarHBondContact O-CG1 3.31Å; T151-I155 PolarHBondContact O-N 3.47Å; G152-I155 WeakPolarHBondContact O-CB 3.38Å; G152-I155 PolarHBondContact O-N 3.36Å; R153-I155 VanDerWaalsContact C-N 3.32Å; R153-I155 PolarHBondContact O-N 3.13Å; I155-M158 PolarHBondContact O-N 2.89Å; I155-S159 PolarHBondContact O-N 3.5Å; I155-A181 HydrophobicContact CG2-CB 4.22Å; I155-F246 HydrophobicContact CB-CE1 4.48Å; I155-F246 HydrophobicContact CB-CZ 4.35Å; I155-F246 HydrophobicContact CD1-CE1 4.35Å; I155-F246 HydrophobicContact CD1-CE2 3.9Å; I155-F246 HydrophobicContact CD1-CZ 3.44Å; I155-F246 VanDerWaalsContact CD1-CZ 3.44Å; I155-F246 HydrophobicContact CG1-CE1 4.38Å; I155-F246 HydrophobicContact CG1-CE2 4.28Å; I155-F246 HydrophobicContact CG1-CZ 3.84Å; I155-F246 HydrophobicContact CG2-CD1 4.16Å; I155-F246 HydrophobicContact CG2-CE1 3.29Å; I155-F246 HydrophobicContact CG2-CZ 3.55Å; I155-P265 HydrophobicContact CD1-CB 3.94Å; I155-F292 HydrophobicContact CG1-CE2 4.16Å; I155-F292 HydrophobicContact CG1-CZ 4.19Å |
| 156 | Y | 75.5 | Confident | 69.2 | Low | 19 Ų | 19 | 64 Ų | 64 | 8% | 0.075 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61 | -52 | 178 | 177.3 | -100 | 0 | 0 | 0 | 111.9 | G152 R153 A154 M158 S159 E160 F184 V185 A188 E193 P197 | G152-Y156 PolarHBondContact O-N 3.44Å; R153-Y156 WeakPolarHBondContact O-CB 3.36Å; R153-Y156 PolarHBondContact O-N 2.88Å; R153-Y156 VanDerWaalsContact O-N 3.17Å; A154-Y156 VanDerWaalsContact C-N 3.33Å; A154-Y156 PolarHBondContact O-N 3.36Å; Y156-M158 VanDerWaalsContact C-N 3.3Å; Y156-M158 PolarHBondContact O-N 3.09Å; Y156-S159 PolarHBondContact O-N 2.68Å; Y156-S159 PolarHBondContact O-OG 2.91Å; Y156-E160 HydrophobicContact CE1-CG 4.2Å; Y156-E160 PolarHBondContact O-N 3.4Å; Y156-E160 VanDerWaalsContact O-N 3.13Å; Y156-F184 HydrophobicContact CD1-CB 4.31Å; Y156-F184 HydrophobicContact CD2-CB 3.95Å; Y156-F184 HydrophobicContact CG-CB 3.8Å; Y156-V185 HydrophobicContact CD2-CG2 3.92Å; Y156-V185 HydrophobicContact CE2-CG2 4.23Å; Y156-A188 HydrophobicContact CE2-CB 4.02Å; Y156-A188 WeakPolarHBondContact OH-CB 3.21Å; Y156-E193 PolarHBondContact OH-OE2 2.98Å; Y156-P197 HydrophobicContact CD2-CG 4.37Å; Y156-P197 HydrophobicContact CE2-CG 4.2Å |
| 157 | E | 75.8 | Confident | 69.1 | Low | 81 Ų | 81 | 63.1 Ų | 63.1 | 38% | 0.379 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.7 | -35.7 | -179.5 | -71.9 | 179.8 | 175 | 0 | 0 | 112.6 | R153 A154 S159 E160 L161 | R153-E157 HydrophobicContact CG-CG 4.3Å; R153-E157 IonicContact CZ-OE1 3.82Å; R153-E157 IonicContact NE-OE1 3.38Å; R153-E157 PolarHBondContact NE-OE1 3.34Å; R153-E157 IonicContact NH2-OE1 2.8Å; R153-E157 PolarHBondContact NH2-OE1 3.48Å; R153-E157 WeakPolarHBondContact O-CG 3.49Å; R153-E157 PolarHBondContact O-N 2.89Å; A154-E157 PolarHBondContact O-N 2.96Å; E157-S159 VanDerWaalsContact C-N 3.33Å; E157-S159 PolarHBondContact O-N 2.86Å; E157-E160 PolarHBondContact O-N 3.23Å; E157-L161 WeakPolarHBondContact O-CG 3.31Å; E157-L161 PolarHBondContact O-N 2.88Å |
| 158 | M | 70.6 | Confident | 68.8 | Low | 77 Ų | 77 | 62.6 Ų | 62.6 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -37.3 | 174.1 | -73.3 | 175.4 | 96.7 | 0 | 0 | 112.2 | A154 I155 Y156 E160 I263 F292 | A154-M158 WeakPolarHBondContact O-CB 3.23Å; A154-M158 WeakPolarHBondContact O-CG 3.29Å; A154-M158 PolarHBondContact O-N 2.99Å; I155-M158 PolarHBondContact O-N 2.89Å; Y156-M158 VanDerWaalsContact C-N 3.3Å; Y156-M158 PolarHBondContact O-N 3.09Å; M158-E160 VanDerWaalsContact C-N 3.33Å; M158-I263 HydrophobicContact CE-CD1 3.9Å; M158-I263 HydrophobicContact CE-CG2 4.36Å; M158-I263 HydrophobicContact SD-CD1 4.31Å; M158-I263 HydrophobicContact SD-CG2 4.32Å; M158-F292 HydrophobicContact SD-CE1 4.21Å; M158-F292 HydrophobicContact SD-CE2 4.45Å; M158-F292 HydrophobicContact SD-CZ 3.7Å |
| 159 | S | 69.8 | Low | 68.6 | Low | 6 Ų | 6 | 61.3 Ų | 61.3 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.1 | -29.7 | 177.2 | 70.3 | 0 | 0 | 0 | 0 | 113 | I155 Y156 E157 V164 P197 | I155-S159 PolarHBondContact O-N 3.5Å; Y156-S159 PolarHBondContact O-N 2.68Å; Y156-S159 PolarHBondContact O-OG 2.91Å; E157-S159 VanDerWaalsContact C-N 3.33Å; E157-S159 PolarHBondContact O-N 2.86Å; S159-V164 WeakPolarHBondContact O-CG2 3.36Å; S159-V164 PolarHBondContact O-N 2.98Å; S159-V164 VanDerWaalsContact O-N 3.16Å; S159-P197 VanDerWaalsContact OG-CG 3.32Å; S159-P197 WeakPolarHBondContact OG-CG 3.38Å |
| 160 | E | 69.3 | Low | 68.1 | Low | 79 Ų | 79 | 55.7 Ų | 55.7 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.8 | -47.7 | 171.8 | -85.3 | -144.3 | 106 | 0 | 0 | 112.9 | Y156 E157 M158 E162 R163 | Y156-E160 HydrophobicContact CE1-CG 4.2Å; Y156-E160 PolarHBondContact O-N 3.4Å; Y156-E160 VanDerWaalsContact O-N 3.13Å; E157-E160 PolarHBondContact O-N 3.23Å; M158-E160 VanDerWaalsContact C-N 3.33Å; E160-E162 PolarHBondContact O-N 2.89Å; E160-E162 VanDerWaalsContact O-N 3.16Å; E160-R163 PolarHBondContact O-N 2.92Å |
| 161 | L | 63.2 | Low | 67.6 | Low | 148 Ų | 148 | 50.1 Ų | 50.1 | 78% | 0.775 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -55.5 | -36.4 | -175.7 | -78.7 | 169.1 | 0 | 0 | 0 | 112.7 | E157 | E157-L161 WeakPolarHBondContact O-CG 3.31Å; E157-L161 PolarHBondContact O-N 2.88Å |
| 162 | E | 62.7 | Low | 66.9 | Low | 103 Ų | 103 | 51.8 Ų | 51.8 | 48% | 0.481 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 1.5 | -178.9 | -70.4 | -68.6 | 163.4 | 0 | 0 | 113.8 | E160 V164 I250 | E160-E162 PolarHBondContact O-N 2.89Å; E160-E162 VanDerWaalsContact O-N 3.16Å; E162-V164 HydrophobicContact CB-CG2 3.92Å; E162-V164 PolarHBondContact O-N 3.2Å; E162-I250 HydrophobicContact CB-CD1 3.93Å |
| 163 | R | 66.1 | Low | 66 | Low | 170 Ų | 170 | 57.1 Ų | 57.1 | 64% | 0.642 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 50 | -176.4 | -61.2 | -177 | 177.4 | 171.3 | 0.5 | 113.2 | E160 | E160-R163 PolarHBondContact O-N 2.92Š|
| 164 | V | 62.5 | Low | 65 | Low | 8 Ų | 8 | 56.8 Ų | 56.8 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | trans | -73.4 | 126.3 | -179 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | S159 E162 Q166 A167 I248 Q249 I250 | S159-V164 WeakPolarHBondContact O-CG2 3.36Å; S159-V164 PolarHBondContact O-N 2.98Å; S159-V164 VanDerWaalsContact O-N 3.16Å; E162-V164 HydrophobicContact CB-CG2 3.92Å; E162-V164 PolarHBondContact O-N 3.2Å; V164-Q166 VanDerWaalsContact CG1-O 3.31Å; V164-Q166 WeakPolarHBondContact CG1-O 3.4Å; V164-A167 HydrophobicContact CG1-CB 4.37Å; V164-I248 HydrophobicContact CB-CG2 4.07Å; V164-I248 HydrophobicContact CG1-CB 4.35Å; V164-I248 HydrophobicContact CG1-CG2 3.57Å; V164-I248 HydrophobicContact CG2-CG2 3.31Å; V164-Q249 WeakPolarHBondContact CG1-O 3.46Å; V164-I250 HydrophobicContact CG2-CG1 4.25Å | ||
| 165 | S | 60.4 | Low | 64.1 | Low | 52 Ų | 52 | 57.8 Ų | 57.8 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -91.2 | -24.4 | 176.9 | 63.8 | 0 | 0 | 0 | 0 | 113.6 | Y198 Y251 | S165-Y198 PolarHBondContact O-N 3.22Å; S165-Y251 WeakPolarHBondContact OG-CB 3.35Å; S165-Y251 WeakPolarHBondContact OG-CD2 3.45Å |
| 166 | Q | 62 | Low | 63.6 | Low | 87 Ų | 87 | 60.6 Ų | 60.6 | 41% | 0.407 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 130.4 | 176.8 | -65.1 | -177.1 | -21.4 | 0 | 0 | 110.9 | V164 Q249 Y251 | V164-Q166 VanDerWaalsContact CG1-O 3.31Å; V164-Q166 WeakPolarHBondContact CG1-O 3.4Å; Q166-Q249 PolarHBondContact O-N 3.28Å; Q166-Y251 HydrophobicContact CB-CE2 4.09Å; Q166-Y251 HydrophobicContact CG-CE2 4.22Å; Q166-Y251 PolarHBondContact OE1-OH 3.32Å |
| 167 | A | 63.4 | Low | 63.3 | Low | 7 Ų | 7 | 60.4 Ų | 60.4 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 136.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V164 Y198 I199 S200 H247 I248 | V164-A167 HydrophobicContact CG1-CB 4.37Å; A167-Y198 PolarHBondContact N-O 3Å; A167-Y198 VanDerWaalsContact O-O 3.08Å; A167-I199 HydrophobicContact CB-CG1 4.39Å; A167-I199 WeakPolarHBondContact O-CA 3.39Å; A167-S200 PolarHBondContact O-N 2.84Å; A167-H247 CarbonylContact C-O 3.59Å; A167-H247 VanDerWaalsContact CA-O 3.25Å; A167-H247 WeakPolarHBondContact CA-O 2.95Å; A167-I248 HydrophobicContact CB-CG1 4.06Å |
| 168 | L | 61.8 | Low | 62.9 | Low | 21 Ų | 21 | 57.2 Ų | 57.2 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 116.5 | 173.8 | -173.2 | 76.8 | 0 | 0 | 0 | 107.5 | L170 Q202 T216 I223 H247 | L168-L170 HydrophobicContact CD2-CD1 4.4Å; L168-L170 HydrophobicContact CD2-CD2 3.61Å; L168-L170 HydrophobicContact CD2-CG 4.06Å; L168-L170 HydrophobicContact CG-CD2 3.83Å; L168-L170 HydrophobicContact CG-CG 4.2Å; L168-Q202 HydrophobicContact CD1-CG 3.92Å; L168-T216 HydrophobicContact CD2-CG2 3.93Å; L168-I223 HydrophobicContact CD2-CD1 4.39Å; L168-H247 HydrophobicContact CB-CB 4.18Å; L168-H247 PolarHBondContact N-O 2.91Å; L168-H247 PolarHBondContact O-N 3.42Å |
| 169 | L | 64.7 | Low | 62.9 | Low | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 101.7 | 176.6 | 174.8 | 48.8 | 0 | 0 | 0 | 108.6 | V171 T178 I199 S200 T201 Q202 H244 F246 | L169-V171 HydrophobicContact CD1-CG2 4.17Å; L169-V171 HydrophobicContact CG-CG2 3.93Å; L169-T178 HydrophobicContact CD2-CG2 3.73Å; L169-T178 HydrophobicContact CG-CG2 4.33Å; L169-I199 HydrophobicContact CB-CG2 3.76Å; L169-I199 HydrophobicContact CD2-CG2 4.26Å; L169-S200 PolarHBondContact N-O 3.11Å; L169-T201 HydrophobicContact CB-CG2 4.36Å; L169-T201 HydrophobicContact CD2-CG2 4.2Å; L169-T201 HydrophobicContact CG-CG2 4.37Å; L169-T201 CarbonylContact O-C 3.48Å; L169-T201 VanDerWaalsContact O-CA 3.3Å; L169-T201 WeakPolarHBondContact O-CA 3.48Å; L169-Q202 PolarHBondContact O-N 2.66Å; L169-H244 HydrophobicContact CD1-CB 4.26Å; L169-F246 HydrophobicContact CB-CE1 4.21Å; L169-F246 HydrophobicContact CD1-CD1 3.96Å; L169-F246 HydrophobicContact CD1-CD2 3.69Å; L169-F246 HydrophobicContact CD1-CE1 3.53Å; L169-F246 HydrophobicContact CD1-CE2 3.27Å; L169-F246 HydrophobicContact CD1-CG 4.05Å; L169-F246 HydrophobicContact CD1-CZ 3.19Å; L169-F246 HydrophobicContact CD2-CE1 3.93Å; L169-F246 HydrophobicContact CD2-CZ 3.76Å; L169-F246 HydrophobicContact CG-CE1 4.09Å; L169-F246 HydrophobicContact CG-CZ 4.01Å |
| 170 | L | 61.4 | Low | 63.2 | Low | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.9 | 176.4 | -57.5 | 175.2 | 0 | 0 | 0 | 108.2 | L168 Q202 F204 I223 H244 I245 | L168-L170 HydrophobicContact CD2-CD1 4.4Å; L168-L170 HydrophobicContact CD2-CD2 3.61Å; L168-L170 HydrophobicContact CD2-CG 4.06Å; L168-L170 HydrophobicContact CG-CD2 3.83Å; L168-L170 HydrophobicContact CG-CG 4.2Å; L170-Q202 CarbonylContact C-O 3.58Å; L170-Q202 VanDerWaalsContact CA-O 3.31Å; L170-Q202 WeakPolarHBondContact CA-O 3.23Å; L170-Q202 HydrophobicContact CD2-CB 3.86Å; L170-F204 VanDerWaalsContact C-CD1 3.46Å; L170-F204 HydrophobicContact CB-CD1 3.4Å; L170-F204 HydrophobicContact CB-CE1 3.68Å; L170-F204 HydrophobicContact CB-CG 4.29Å; L170-F204 WeakPolarHBondContact O-CE1 3.41Å; L170-I223 HydrophobicContact CD1-CD1 3.75Å; L170-I223 HydrophobicContact CD1-CG1 4.21Å; L170-I223 HydrophobicContact CD1-CG2 4.22Å; L170-H244 CarbonylContact O-C 3.49Å; L170-H244 VanDerWaalsContact O-CA 3.23Å; L170-H244 WeakPolarHBondContact O-CA 3.48Å; L170-I245 HydrophobicContact CB-CB 3.99Å; L170-I245 WeakPolarHBondContact CB-O 3.36Å; L170-I245 HydrophobicContact CD1-CB 4.14Å; L170-I245 HydrophobicContact CD1-CG2 4.36Å; L170-I245 PolarHBondContact N-O 3.42Å; L170-I245 PolarHBondContact O-N 2.85Å |
| 171 | V | 61.4 | Low | 63.5 | Low | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.7 | 179.4 | -151.9 | 0 | 0 | 0 | 0 | 111.7 | L169 K173 T178 Q202 M203 F204 H244 | L169-V171 HydrophobicContact CD1-CG2 4.17Å; L169-V171 HydrophobicContact CG-CG2 3.93Å; V171-K173 WeakPolarHBondContact CG1-O 3.48Å; V171-T178 HydrophobicContact CG1-CG2 4.37Å; V171-T178 HydrophobicContact CG2-CG2 3.88Å; V171-Q202 PolarHBondContact N-O 3.1Å; V171-M203 VanDerWaalsContact O-CA 3.31Å; V171-M203 WeakPolarHBondContact O-CA 3.23Å; V171-F204 VanDerWaalsContact C-CD1 3.44Å; V171-F204 VanDerWaalsContact C-CE1 3.41Å; V171-F204 VanDerWaalsContact N-CD1 3.28Å; V171-F204 PolarHBondContact O-N 3.3Å; V171-F204 VanDerWaalsContact O-N 3.07Å; V171-H244 WeakPolarHBondContact CG1-CD2 3.4Å; V171-H244 VanDerWaalsContact CG1-NE2 3.3Å; V171-H244 WeakPolarHBondContact CG1-NE2 3.4Å |
| 172 | D | 56.5 | Low | 64.2 | Low | 44 Ų | 44 | 50.7 Ų | 50.7 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -75.1 | -28.6 | 175.6 | -170.9 | 41.6 | 0 | 0 | 0 | 111.8 | F204 S243 | D172-F204 WeakPolarHBondContact CA-O 3.43Å; D172-F204 HydrophobicContact CB-CZ 4.36Å; D172-S243 PolarHBondContact N-O 3.4Å; D172-S243 VanDerWaalsContact N-O 3.13Å |
| 173 | K | 54.9 | Low | 65 | Low | 112 Ų | 112 | 49.9 Ų | 49.9 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -147.7 | 161.7 | -176.6 | -61.1 | -176.5 | -176.1 | 176.1 | 0 | 112.5 | V171 N175 | V171-K173 WeakPolarHBondContact CG1-O 3.48Å; K173-N175 PolarHBondContact O-N 3.16Å; K173-N175 PolarHBondContact O-ND2 3.45Å |
| 174 | T | 54.6 | Low | 65.8 | Low | 128 Ų | 128 | 43.6 Ų | 43.6 | 79% | 0.785 | 23% | 0.234 | S | C | * | . | trans | -65.2 | 118.8 | 173.7 | 52 | 0 | 0 | 0 | 0 | 110.8 | M203 | T174-M203 HydrophobicContact CG2-CE 4.4Š| ||
| 175 | N | 56.5 | Low | 66.6 | Low | 47 Ų | 47 | 43.8 Ų | 43.8 | 25% | 0.251 | 24% | 0.235 | S | C | . | . | trans | -136.3 | 143.7 | -172.7 | -72.4 | -27.3 | 0 | 0 | 0 | 112.5 | K173 E177 T178 H244 | K173-N175 PolarHBondContact O-N 3.16Å; K173-N175 PolarHBondContact O-ND2 3.45Å; N175-E177 VanDerWaalsContact C-N 3.33Å; N175-E177 PolarHBondContact O-N 3.4Å; N175-T178 HydrophobicContact CB-CG2 4.45Å; N175-T178 PolarHBondContact O-N 3.43Å; N175-T178 PolarHBondContact O-OG1 2.79Å; N175-H244 PolarHBondContact ND2-CE1 3.34Å; N175-H244 PolarHBondContact ND2-NE2 3.46Å; N175-H244 VanDerWaalsContact ND2-NE2 3.12Å | ||
| 176 | L | 63 | Low | 67.5 | Low | 71 Ų | 71 | 45 Ų | 45 | 37% | 0.372 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.4 | -31.1 | -172.4 | -167.2 | 71.2 | 0 | 0 | 0 | 113.1 | S148 T178 D179 T180 | S148-L176 VanDerWaalsContact OG-CD2 3.29Å; S148-L176 WeakPolarHBondContact OG-CD2 3.3Å; L176-T178 PolarHBondContact O-N 2.84Å; L176-D179 PolarHBondContact O-N 3.24Å; L176-T180 PolarHBondContact O-N 3.42Å; L176-T180 VanDerWaalsContact O-N 3.09Å; L176-T180 PolarHBondContact O-OG1 3.48Å; L176-T180 VanDerWaalsContact O-OG1 3.05Å |
| 177 | E | 68.3 | Low | 68.4 | Low | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.065 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -29.5 | 177.4 | -61.7 | 78.9 | -176.4 | 0 | 0 | 112.4 | T124 T151 N175 T180 A181 | T124-E177 VanDerWaalsContact CB-OE1 3.29Å; T124-E177 WeakPolarHBondContact CB-OE1 3.42Å; T124-E177 PolarHBondContact OG1-OE1 3.34Å; T151-E177 HydrophobicContact CG2-CG 4.26Å; N175-E177 VanDerWaalsContact C-N 3.33Å; N175-E177 PolarHBondContact O-N 3.4Å; E177-T180 WeakPolarHBondContact CA-OG1 3.37Å; E177-T180 PolarHBondContact O-OG1 3.33Å; E177-T180 VanDerWaalsContact O-OG1 3.14Å; E177-A181 WeakPolarHBondContact O-CB 3.2Å; E177-A181 PolarHBondContact O-N 2.86Å; E177-A181 VanDerWaalsContact O-N 3.09Å |
| 178 | T | 68.2 | Low | 69.2 | Low | 15 Ų | 15 | 45.3 Ų | 45.3 | 9% | 0.092 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -77.8 | -37.7 | -179.6 | 67.1 | 0 | 0 | 0 | 0 | 111.5 | L169 V171 N175 L176 A181 L182 H244 | L169-T178 HydrophobicContact CD2-CG2 3.73Å; L169-T178 HydrophobicContact CG-CG2 4.33Å; V171-T178 HydrophobicContact CG1-CG2 4.37Å; V171-T178 HydrophobicContact CG2-CG2 3.88Å; N175-T178 HydrophobicContact CB-CG2 4.45Å; N175-T178 PolarHBondContact O-N 3.43Å; N175-T178 PolarHBondContact O-OG1 2.79Å; L176-T178 PolarHBondContact O-N 2.84Å; T178-A181 PolarHBondContact O-N 3.48Å; T178-L182 WeakPolarHBondContact O-CB 3.43Å; T178-L182 PolarHBondContact O-N 3.33Å; T178-H244 WeakPolarHBondContact CG2-CD2 3.48Å; T178-H244 WeakPolarHBondContact CG2-NE2 3.37Å |
| 179 | D | 70.8 | Confident | 70 | Confident | 93 Ų | 93 | 50.1 Ų | 50.1 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 173.8 | -69 | -18.5 | 0 | 0 | 0 | 110.4 | L176 A181 L182 D183 | L176-D179 PolarHBondContact O-N 3.24Å; D179-A181 PolarHBondContact O-N 2.94Å; D179-L182 PolarHBondContact O-N 3.47Å; D179-D183 WeakPolarHBondContact O-CB 3.42Å; D179-D183 PolarHBondContact O-N 3.48Å |
| 180 | T | 75.3 | Confident | 70.6 | Confident | 23 Ų | 23 | 57 Ų | 57 | 14% | 0.141 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.4 | 35.8 | 0 | 0 | 0 | 0 | 112.8 | S148 L176 E177 L182 D183 F184 | S148-T180 PolarHBondContact O-OG1 2.95Å; L176-T180 PolarHBondContact O-N 3.42Å; L176-T180 VanDerWaalsContact O-N 3.09Å; L176-T180 PolarHBondContact O-OG1 3.48Å; L176-T180 VanDerWaalsContact O-OG1 3.05Å; E177-T180 WeakPolarHBondContact CA-OG1 3.37Å; E177-T180 PolarHBondContact O-OG1 3.33Å; E177-T180 VanDerWaalsContact O-OG1 3.14Å; T180-L182 VanDerWaalsContact C-N 3.31Å; T180-L182 PolarHBondContact O-N 3.25Å; T180-D183 PolarHBondContact O-N 3.02Å; T180-F184 WeakPolarHBondContact O-CD2 3.44Å; T180-F184 PolarHBondContact O-N 3.27Å; T180-F184 VanDerWaalsContact O-N 3.09Å |
| 181 | A | 75 | Confident | 71.7 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I155 E177 T178 D179 F184 V185 | I155-A181 HydrophobicContact CG2-CB 4.22Å; E177-A181 WeakPolarHBondContact O-CB 3.2Å; E177-A181 PolarHBondContact O-N 2.86Å; E177-A181 VanDerWaalsContact O-N 3.09Å; T178-A181 PolarHBondContact O-N 3.48Å; D179-A181 PolarHBondContact O-N 2.94Å; A181-F184 PolarHBondContact O-N 2.94Å; A181-V185 WeakPolarHBondContact O-CG2 3.4Å; A181-V185 PolarHBondContact O-N 3.07Å |
| 182 | L | 77.9 | Confident | 72.5 | Confident | 56 Ų | 56 | 69 Ų | 69 | 29% | 0.293 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 177.7 | -155.7 | 76 | 0 | 0 | 0 | 111.6 | T178 D179 T180 F184 V185 L186 I199 | T178-L182 WeakPolarHBondContact O-CB 3.43Å; T178-L182 PolarHBondContact O-N 3.33Å; D179-L182 PolarHBondContact O-N 3.47Å; T180-L182 VanDerWaalsContact C-N 3.31Å; T180-L182 PolarHBondContact O-N 3.25Å; L182-F184 VanDerWaalsContact C-N 3.33Å; L182-F184 PolarHBondContact O-N 3.2Å; L182-V185 WeakPolarHBondContact O-CB 2.88Å; L182-V185 PolarHBondContact O-N 3.27Å; L182-L186 WeakPolarHBondContact O-CG 3.34Å; L182-L186 PolarHBondContact O-N 3.5Å; L182-I199 HydrophobicContact CD1-CB 4.25Å; L182-I199 HydrophobicContact CD1-CG2 4.37Å |
| 183 | D | 81.1 | Confident | 73.4 | Confident | 86 Ų | 86 | 70.7 Ų | 70.7 | 46% | 0.46 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 174.7 | -79.3 | -16.1 | 0 | 0 | 0 | 111.8 | D179 T180 L186 Q187 | D179-D183 WeakPolarHBondContact O-CB 3.42Å; D179-D183 PolarHBondContact O-N 3.48Å; T180-D183 PolarHBondContact O-N 3.02Å; D183-L186 PolarHBondContact O-N 3.3Å; D183-Q187 WeakPolarHBondContact O-CB 3.39Å; D183-Q187 VanDerWaalsContact O-CG 3.25Å; D183-Q187 WeakPolarHBondContact O-CG 3.48Å; D183-Q187 PolarHBondContact O-N 3.29Å |
| 184 | F | 81.8 | Confident | 74 | Confident | 39 Ų | 39 | 74.9 Ų | 74.9 | 17% | 0.171 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.6 | -40 | 174.2 | -77.6 | -64.9 | 0 | 0 | 0 | 112.3 | E149 R153 Y156 T180 A181 L182 Q187 A188 | E149-F184 HydrophobicContact CG-CE2 4.3Å; E149-F184 HydrophobicContact CG-CZ 4.04Å; R153-F184 HydrophobicContact CB-CD2 4.23Å; R153-F184 HydrophobicContact CB-CE2 3.64Å; R153-F184 HydrophobicContact CB-CZ 3.82Å; R153-F184 HydrophobicContact CG-CE2 4.43Å; R153-F184 HydrophobicContact CG-CZ 4.24Å; Y156-F184 HydrophobicContact CD1-CB 4.31Å; Y156-F184 HydrophobicContact CD2-CB 3.95Å; Y156-F184 HydrophobicContact CG-CB 3.8Å; T180-F184 WeakPolarHBondContact O-CD2 3.44Å; T180-F184 PolarHBondContact O-N 3.27Å; T180-F184 VanDerWaalsContact O-N 3.09Å; A181-F184 PolarHBondContact O-N 2.94Å; L182-F184 VanDerWaalsContact C-N 3.33Å; L182-F184 PolarHBondContact O-N 3.2Å; F184-Q187 PolarHBondContact O-N 3.36Å; F184-A188 WeakPolarHBondContact O-CB 3.48Å; F184-A188 PolarHBondContact O-N 3.19Å |
| 185 | V | 80.3 | Confident | 74.7 | Confident | 11 Ų | 11 | 74 Ų | 74 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.6 | -46 | 174.8 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | Y156 A181 L182 Q187 A188 E189 V196 P197 I199 | Y156-V185 HydrophobicContact CD2-CG2 3.92Å; Y156-V185 HydrophobicContact CE2-CG2 4.23Å; A181-V185 WeakPolarHBondContact O-CG2 3.4Å; A181-V185 PolarHBondContact O-N 3.07Å; L182-V185 WeakPolarHBondContact O-CB 2.88Å; L182-V185 PolarHBondContact O-N 3.27Å; V185-Q187 PolarHBondContact O-N 3.44Å; V185-A188 PolarHBondContact O-N 2.99Å; V185-E189 WeakPolarHBondContact O-CB 3.2Å; V185-E189 PolarHBondContact O-N 3.47Å; V185-V196 HydrophobicContact CG1-CG1 3.8Å; V185-P197 VanDerWaalsContact CG1-O 3.24Å; V185-P197 WeakPolarHBondContact CG1-O 3.41Å; V185-P197 HydrophobicContact CG2-CG 4.04Å; V185-I199 HydrophobicContact CG2-CD1 3.51Å; V185-I199 HydrophobicContact CG2-CG1 3.95Å |
| 186 | L | 79.3 | Confident | 75.2 | Confident | 79 Ų | 79 | 74 Ų | 74 | 41% | 0.414 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 177.7 | -71.8 | 169.2 | 0 | 0 | 0 | 111.6 | L182 D183 E189 M190 | L182-L186 WeakPolarHBondContact O-CG 3.34Å; L182-L186 PolarHBondContact O-N 3.5Å; D183-L186 PolarHBondContact O-N 3.3Å; L186-E189 PolarHBondContact O-N 3.37Å; L186-M190 WeakPolarHBondContact O-CB 3.37Å; L186-M190 VanDerWaalsContact O-CG 3.31Å; L186-M190 WeakPolarHBondContact O-CG 3.39Å; L186-M190 PolarHBondContact O-N 3.22Å |
| 187 | Q | 80.1 | Confident | 75.5 | Confident | 97 Ų | 97 | 70.7 Ų | 70.7 | 45% | 0.453 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 175.1 | -76.6 | 177.3 | 14 | 0 | 0 | 111.9 | D183 F184 V185 M190 N191 | D183-Q187 WeakPolarHBondContact O-CB 3.39Å; D183-Q187 VanDerWaalsContact O-CG 3.25Å; D183-Q187 WeakPolarHBondContact O-CG 3.48Å; D183-Q187 PolarHBondContact O-N 3.29Å; F184-Q187 PolarHBondContact O-N 3.36Å; V185-Q187 PolarHBondContact O-N 3.44Å; Q187-M190 HydrophobicContact CG-CE 4.17Å; Q187-M190 PolarHBondContact O-N 2.84Å; Q187-N191 WeakPolarHBondContact O-CB 3.4Å; Q187-N191 PolarHBondContact O-N 2.86Å; Q187-N191 PolarHBondContact O-ND2 2.84Å |
| 188 | A | 80.5 | Confident | 75.3 | Confident | 3 Ų | 3 | 77.3 Ų | 77.3 | 3% | 0.025 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y156 F184 V185 N191 D192 E193 V196 | Y156-A188 HydrophobicContact CE2-CB 4.02Å; Y156-A188 WeakPolarHBondContact OH-CB 3.21Å; F184-A188 WeakPolarHBondContact O-CB 3.48Å; F184-A188 PolarHBondContact O-N 3.19Å; V185-A188 PolarHBondContact O-N 2.99Å; A188-N191 PolarHBondContact O-N 3.47Å; A188-D192 PolarHBondContact O-N 2.94Å; A188-E193 HydrophobicContact CB-CB 4.39Å; A188-E193 HydrophobicContact CB-CG 4.4Å; A188-E193 WeakPolarHBondContact CB-OE2 3.4Å; A188-E193 PolarHBondContact O-N 3.37Å; A188-E193 VanDerWaalsContact O-N 3.16Å; A188-V196 HydrophobicContact CB-CG1 4.38Å; A188-V196 HydrophobicContact CB-CG2 4.09Å |
| 189 | E | 78.4 | Confident | 75.1 | Confident | 122 Ų | 122 | 77.4 Ų | 77.4 | 57% | 0.57 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 173.7 | -163.5 | 171.7 | -171.1 | 0 | 0 | 111.6 | V185 L186 N191 D192 V196 | V185-E189 WeakPolarHBondContact O-CB 3.2Å; V185-E189 PolarHBondContact O-N 3.47Å; L186-E189 PolarHBondContact O-N 3.37Å; E189-N191 VanDerWaalsContact C-N 3.27Å; E189-N191 PolarHBondContact O-N 3.32Å; E189-D192 PolarHBondContact O-N 3.44Å; E189-V196 HydrophobicContact CB-CG1 4.22Å |
| 190 | M | 78.2 | Confident | 74.7 | Confident | 144 Ų | 144 | 74.7 Ų | 74.7 | 71% | 0.709 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.3 | -28.6 | 174.4 | -73.7 | -168.9 | -63.1 | 0 | 0 | 113.3 | L186 Q187 D192 | L186-M190 WeakPolarHBondContact O-CB 3.37Å; L186-M190 VanDerWaalsContact O-CG 3.31Å; L186-M190 WeakPolarHBondContact O-CG 3.39Å; L186-M190 PolarHBondContact O-N 3.22Å; Q187-M190 HydrophobicContact CG-CE 4.17Å; Q187-M190 PolarHBondContact O-N 2.84Å; M190-D192 VanDerWaalsContact C-N 3.31Å |
| 191 | N | 83 | Confident | 74 | Confident | 112 Ų | 112 | 77.1 Ų | 77.1 | 60% | 0.599 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 4.7 | 179.6 | -71.1 | -22.1 | 0 | 0 | 0 | 113.7 | Q187 A188 E189 E193 | Q187-N191 WeakPolarHBondContact O-CB 3.4Å; Q187-N191 PolarHBondContact O-N 2.86Å; Q187-N191 PolarHBondContact O-ND2 2.84Å; A188-N191 PolarHBondContact O-N 3.47Å; E189-N191 VanDerWaalsContact C-N 3.27Å; E189-N191 PolarHBondContact O-N 3.32Å; N191-E193 HydrophobicContact CB-CG 4.14Å; N191-E193 PolarHBondContact O-N 2.96Å |
| 192 | D | 78.7 | Confident | 73.2 | Confident | 152 Ų | 152 | 78.8 Ų | 78.8 | 81% | 0.813 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 39 | -175.8 | -75.7 | -39.4 | 0 | 0 | 0 | 112.9 | A188 E189 M190 | A188-D192 PolarHBondContact O-N 2.94Å; E189-D192 PolarHBondContact O-N 3.44Å; M190-D192 VanDerWaalsContact C-N 3.31Å |
| 193 | E | 75.3 | Confident | 72 | Confident | 81 Ų | 81 | 81.2 Ų | 81.2 | 38% | 0.379 | 40% | 0.399 | S | S | . | . | trans | -65.1 | 146.1 | 176.4 | -68.9 | -172.6 | -179.5 | 0 | 0 | 111.6 | Y156 A188 N191 F195 V196 | Y156-E193 PolarHBondContact OH-OE2 2.98Å; A188-E193 HydrophobicContact CB-CB 4.39Å; A188-E193 HydrophobicContact CB-CG 4.4Å; A188-E193 WeakPolarHBondContact CB-OE2 3.4Å; A188-E193 PolarHBondContact O-N 3.37Å; A188-E193 VanDerWaalsContact O-N 3.16Å; N191-E193 HydrophobicContact CB-CG 4.14Å; N191-E193 PolarHBondContact O-N 2.96Å; E193-F195 VanDerWaalsContact C-N 3.3Å; E193-F195 PolarHBondContact O-N 3.28Å; E193-V196 HydrophobicContact CB-CG2 4.21Å | ||
| 194 | K | 68.6 | Low | 70.9 | Confident | 199 Ų | 199 | 78.1 Ų | 78.1 | 87% | 0.865 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -66.9 | -27.4 | -171.8 | -83.1 | -176.3 | 179.6 | 174.5 | 0 | 114.4 | ||
| 195 | F | 67.8 | Low | 69.6 | Low | 111 Ų | 111 | 77.9 Ų | 77.9 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | trans | -135.4 | 87 | -174.5 | -72.5 | -77.9 | 0 | 0 | 0 | 109.4 | E193 | E193-F195 VanDerWaalsContact C-N 3.3Å; E193-F195 PolarHBondContact O-N 3.28Å | ||
| 196 | V | 68 | Low | 68.4 | Low | 45 Ų | 45 | 78 Ų | 78 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | trans | -97.7 | 121.1 | 174.8 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | V185 A188 E189 E193 | V185-V196 HydrophobicContact CG1-CG1 3.8Å; A188-V196 HydrophobicContact CB-CG1 4.38Å; A188-V196 HydrophobicContact CB-CG2 4.09Å; E189-V196 HydrophobicContact CB-CG1 4.22Å; E193-V196 HydrophobicContact CB-CG2 4.21Å | ||
| 197 | P | 68.1 | Low | 67.4 | Low | 3 Ų | 3 | 78.4 Ų | 78.4 | 2% | 0.019 | 39% | 0.391 | C | S | . | . | trans | -73.8 | 131.2 | 176.8 | 31.7 | -35.7 | 0 | 0 | 0 | 109.9 | Y156 S159 V185 I199 | Y156-P197 HydrophobicContact CD2-CG 4.37Å; Y156-P197 HydrophobicContact CE2-CG 4.2Å; S159-P197 VanDerWaalsContact OG-CG 3.32Å; S159-P197 WeakPolarHBondContact OG-CG 3.38Å; V185-P197 VanDerWaalsContact CG1-O 3.24Å; V185-P197 WeakPolarHBondContact CG1-O 3.41Å; V185-P197 HydrophobicContact CG2-CG 4.04Å; P197-I199 PolarHBondContact O-N 2.66Å | ||
| 198 | Y | 65.3 | Low | 66 | Low | 152 Ų | 152 | 78 Ų | 78 | 60% | 0.596 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 110.4 | 172.5 | -177.5 | -97.5 | 0 | 0 | 0 | 109.9 | S165 A167 | S165-Y198 PolarHBondContact O-N 3.22Å; A167-Y198 PolarHBondContact N-O 3Å; A167-Y198 VanDerWaalsContact O-O 3.08Å |
| 199 | I | 64.9 | Low | 64.5 | Low | 17 Ų | 17 | 85 Ų | 85 | 9% | 0.087 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.5 | 177.3 | -57.9 | -176.7 | 0 | 0 | 0 | 109.8 | A167 L169 L182 V185 P197 | A167-I199 HydrophobicContact CB-CG1 4.39Å; A167-I199 WeakPolarHBondContact O-CA 3.39Å; L169-I199 HydrophobicContact CB-CG2 3.76Å; L169-I199 HydrophobicContact CD2-CG2 4.26Å; L182-I199 HydrophobicContact CD1-CB 4.25Å; L182-I199 HydrophobicContact CD1-CG2 4.37Å; V185-I199 HydrophobicContact CG2-CD1 3.51Å; V185-I199 HydrophobicContact CG2-CG1 3.95Å; P197-I199 PolarHBondContact O-N 2.66Å |
| 200 | S | 61 | Low | 62.7 | Low | 36 Ų | 36 | 84.5 Ų | 84.5 | 25% | 0.252 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.5 | 170.4 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | A167 L169 | A167-S200 PolarHBondContact O-N 2.84Å; L169-S200 PolarHBondContact N-O 3.11Å |
| 201 | T | 60.2 | Low | 61 | Low | 75 Ų | 75 | 81.4 Ų | 81.4 | 46% | 0.46 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 133.8 | 174.1 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | L169 | L169-T201 HydrophobicContact CB-CG2 4.36Å; L169-T201 HydrophobicContact CD2-CG2 4.2Å; L169-T201 HydrophobicContact CG-CG2 4.37Å; L169-T201 CarbonylContact O-C 3.48Å; L169-T201 VanDerWaalsContact O-CA 3.3Å; L169-T201 WeakPolarHBondContact O-CA 3.48Å |
| 202 | Q | 58.1 | Low | 59.1 | Low | 35 Ų | 35 | 81.8 Ų | 81.8 | 16% | 0.164 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137.1 | 170.2 | -61.6 | -167.6 | 10.2 | 0 | 0 | 111 | L168 L169 L170 V171 | L168-Q202 HydrophobicContact CD1-CG 3.92Å; L169-Q202 PolarHBondContact O-N 2.66Å; L170-Q202 CarbonylContact C-O 3.58Å; L170-Q202 VanDerWaalsContact CA-O 3.31Å; L170-Q202 WeakPolarHBondContact CA-O 3.23Å; L170-Q202 HydrophobicContact CD2-CB 3.86Å; V171-Q202 PolarHBondContact N-O 3.1Å |
| 203 | M | 54.2 | Low | 57.2 | Low | 106 Ų | 106 | 81 Ų | 81 | 52% | 0.522 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 125.8 | 175.3 | -125.6 | 174.6 | -179.4 | 0 | 0 | 109.2 | V171 T174 | V171-M203 VanDerWaalsContact O-CA 3.31Å; V171-M203 WeakPolarHBondContact O-CA 3.23Å; T174-M203 HydrophobicContact CG2-CE 4.4Å |
| 204 | F | 57.8 | Low | 55.6 | Low | 22 Ų | 22 | 83.8 Ų | 83.8 | 10% | 0.096 | 43% | 0.426 | C | S | . | . | trans | -119.2 | 156.1 | 171.1 | 74.6 | -81.5 | 0 | 0 | 0 | 109.2 | L170 V171 D172 L206 L227 L242 I245 | L170-F204 VanDerWaalsContact C-CD1 3.46Å; L170-F204 HydrophobicContact CB-CD1 3.4Å; L170-F204 HydrophobicContact CB-CE1 3.68Å; L170-F204 HydrophobicContact CB-CG 4.29Å; L170-F204 WeakPolarHBondContact O-CE1 3.41Å; V171-F204 VanDerWaalsContact C-CD1 3.44Å; V171-F204 VanDerWaalsContact C-CE1 3.41Å; V171-F204 VanDerWaalsContact N-CD1 3.28Å; V171-F204 PolarHBondContact O-N 3.3Å; V171-F204 VanDerWaalsContact O-N 3.07Å; D172-F204 WeakPolarHBondContact CA-O 3.43Å; D172-F204 HydrophobicContact CB-CZ 4.36Å; F204-L206 HydrophobicContact CE2-CG 4.34Å; F204-L227 HydrophobicContact CD2-CD1 4.08Å; F204-L227 HydrophobicContact CD2-CD2 3.47Å; F204-L227 VanDerWaalsContact CD2-CD2 3.47Å; F204-L227 HydrophobicContact CD2-CG 4.44Å; F204-L227 HydrophobicContact CE2-CD2 3.47Å; F204-L227 VanDerWaalsContact CE2-CD2 3.47Å; F204-L242 HydrophobicContact CE2-CD2 4.01Å; F204-L242 HydrophobicContact CZ-CD2 4.13Å; F204-L242 HydrophobicContact CZ-CG 4.44Å; F204-I245 HydrophobicContact CD2-CD1 4.46Å; F204-I245 HydrophobicContact CE1-CD1 4.23Å; F204-I245 HydrophobicContact CE1-CG1 4.1Å; F204-I245 HydrophobicContact CE2-CD1 3.86Å; F204-I245 HydrophobicContact CE2-CG1 4.39Å; F204-I245 HydrophobicContact CZ-CD1 3.71Å; F204-I245 HydrophobicContact CZ-CG1 3.74Å | ||
| 205 | S | 54.9 | Low | 54.2 | Low | 34 Ų | 34 | 78.2 Ų | 78.2 | 24% | 0.238 | 41% | 0.41 | C | S | . | . | trans | -128.5 | 130.6 | 172.5 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | T207 N208 | S205-T207 PolarHBondContact O-N 2.86Å; S205-T207 PolarHBondContact OG-OG1 3.36Å; S205-N208 PolarHBondContact O-N 3.26Å | ||
| 206 | L | 55 | Low | 53 | Low | 13 Ų | 13 | 73.6 Ų | 73.6 | 7% | 0.068 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.6 | 175.2 | -79.1 | 148.1 | 0 | 0 | 0 | 112.3 | F204 N208 L227 F230 L242 | F204-L206 HydrophobicContact CE2-CG 4.34Å; L206-N208 PolarHBondContact O-N 3.48Å; L206-N208 VanDerWaalsContact O-N 3.1Å; L206-L227 HydrophobicContact CD2-CD2 3.97Å; L206-L227 HydrophobicContact CG-CD2 4.4Å; L206-F230 HydrophobicContact CD2-CB 4.23Å; L206-L242 HydrophobicContact CD1-CB 4.17Å; L206-L242 HydrophobicContact CD1-CD2 4.33Å; L206-L242 HydrophobicContact CD2-CD2 4.05Å; L206-L242 HydrophobicContact CG-CD2 4.46Å |
| 207 | T | 56.6 | Low | 51.8 | Low | 88 Ų | 88 | 78.5 Ų | 78.5 | 54% | 0.54 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 19.5 | -177.7 | 58.3 | 0 | 0 | 0 | 0 | 113.5 | S205 Q209 | S205-T207 PolarHBondContact O-N 2.86Å; S205-T207 PolarHBondContact OG-OG1 3.36Å; T207-Q209 PolarHBondContact O-N 2.95Å |
| 208 | N | 52.6 | Low | 50.8 | Low | 88 Ų | 88 | 86 Ų | 86 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | trans | 59.6 | 14.7 | 179.7 | -112.1 | -16.2 | 0 | 0 | 0 | 114.6 | S205 L206 T210 | S205-N208 PolarHBondContact O-N 3.26Å; L206-N208 PolarHBondContact O-N 3.48Å; L206-N208 VanDerWaalsContact O-N 3.1Å; N208-T210 PolarHBondContact O-N 3.15Å | ||
| 209 | Q | 47.2 | Very low | 50 | Low | 149 Ų | 149 | 79.6 Ų | 79.6 | 70% | 0.696 | 43% | 0.431 | S | S | * | . | trans | -76.8 | 92.5 | 172.2 | -68.5 | -171.4 | -9.2 | 0 | 0 | 108.5 | T207 N211 | T207-Q209 PolarHBondContact O-N 2.95Å; Q209-N211 PolarHBondContact O-N 3.42Å | ||
| 210 | T | 42.4 | Very low | 49.3 | Very low | 112 Ų | 112 | 83.4 Ų | 83.4 | 69% | 0.687 | 45% | 0.445 | S | S | * | . | trans | -65.5 | 125.3 | 176.1 | 50.8 | 0 | 0 | 0 | 0 | 109.8 | N208 P212 | N208-T210 PolarHBondContact O-N 3.15Å; T210-P212 VanDerWaalsContact O-CD 3.27Å; T210-P212 WeakPolarHBondContact O-CD 3.11Å | ||
| 211 | N | 42.3 | Very low | 48.9 | Very low | 80 Ų | 80 | 88.4 Ų | 88.4 | 43% | 0.428 | 47% | 0.469 | S | S | . | . | trans | -83.2 | 110.2 | 166.2 | -168.8 | -22.6 | 0 | 0 | 0 | 107.9 | Q209 M213 | Q209-N211 PolarHBondContact O-N 3.42Å; N211-M213 PolarHBondContact O-N 3.5Å; N211-M213 VanDerWaalsContact O-N 3.13Å; N211-M213 PolarHBondContact OD1-N 2.86Å | ||
| 212 | P | 41.5 | Very low | 48.8 | Very low | 120 Ų | 120 | 87.4 Ų | 87.4 | 78% | 0.779 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -9.7 | -172.6 | 27.5 | -34.4 | 0 | 0 | 0 | 113.7 | T210 Y214 | T210-P212 VanDerWaalsContact O-CD 3.27Å; T210-P212 WeakPolarHBondContact O-CD 3.11Å; P212-Y214 PolarHBondContact O-N 3.34Å |
| 213 | M | 40.4 | Very low | 48.9 | Very low | 135 Ų | 135 | 86.4 Ų | 86.4 | 67% | 0.665 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -18.9 | -170.3 | -159.4 | 167.9 | -171.2 | 0 | 0 | 114.2 | N211 | N211-M213 PolarHBondContact O-N 3.5Å; N211-M213 VanDerWaalsContact O-N 3.13Å; N211-M213 PolarHBondContact OD1-N 2.86Å |
| 214 | Y | 40.6 | Very low | 49.2 | Very low | 140 Ų | 140 | 83.7 Ų | 83.7 | 55% | 0.549 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -138.7 | 84 | -174.4 | -56.1 | -75.7 | 0 | 0 | 0 | 112.4 | P212 T216 | P212-Y214 PolarHBondContact O-N 3.34Å; Y214-T216 PolarHBondContact O-N 3.38Å |
| 215 | P | 38.8 | Very low | 49.5 | Very low | 82 Ų | 82 | 86.2 Ų | 86.2 | 53% | 0.532 | 46% | 0.463 | S | S | . | . | trans | -72.7 | 122 | -179.1 | 25.1 | -30.4 | 0 | 0 | 0 | 112.5 | L217 Y220 | P215-L217 PolarHBondContact O-N 2.93Å; P215-L217 VanDerWaalsContact O-N 3.12Å; P215-Y220 WeakPolarHBondContact CA-OH 3.31Å; P215-Y220 HydrophobicContact CB-CE2 4.44Å | ||
| 216 | T | 43.5 | Very low | 49.7 | Very low | 13 Ų | 13 | 85.2 Ų | 85.2 | 8% | 0.08 | 46% | 0.455 | C | S | . | . | trans | -66.6 | 105.9 | 169.8 | 44.7 | 0 | 0 | 0 | 0 | 109.7 | L168 Y214 N218 T219 Y220 I223 | L168-T216 HydrophobicContact CD2-CG2 3.93Å; Y214-T216 PolarHBondContact O-N 3.38Å; T216-N218 PolarHBondContact O-N 3.35Å; T216-T219 WeakPolarHBondContact CB-OG1 3.39Å; T216-Y220 PolarHBondContact N-OH 3Å; T216-Y220 WeakPolarHBondContact O-CD2 3.45Å; T216-Y220 WeakPolarHBondContact O-CE2 3.23Å; T216-Y220 VanDerWaalsContact OG1-CE2 3.32Å; T216-Y220 WeakPolarHBondContact OG1-CE2 3.37Å; T216-I223 HydrophobicContact CG2-CD1 4.38Å | ||
| 217 | L | 42.9 | Very low | 50.2 | Low | 149 Ų | 149 | 85.3 Ų | 85.3 | 78% | 0.78 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 114.8 | 174.9 | -108.2 | 83.1 | 0 | 0 | 0 | 109.7 | P215 T219 | P215-L217 PolarHBondContact O-N 2.93Å; P215-L217 VanDerWaalsContact O-N 3.12Å; L217-T219 PolarHBondContact O-N 2.94Å |
| 218 | N | 46.2 | Very low | 50.6 | Low | 160 Ų | 160 | 87.9 Ų | 87.9 | 86% | 0.856 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 9.6 | 169.7 | -59 | -20.2 | 0 | 0 | 0 | 118.8 | T216 | T216-N218 PolarHBondContact O-N 3.35Š|
| 219 | T | 48.9 | Very low | 51.2 | Low | 17 Ų | 17 | 87.9 Ų | 87.9 | 10% | 0.104 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -0.1 | 179.9 | 46.4 | 0 | 0 | 0 | 0 | 115.1 | T216 L217 D221 T222 I223 | T216-T219 WeakPolarHBondContact CB-OG1 3.39Å; L217-T219 PolarHBondContact O-N 2.94Å; T219-D221 PolarHBondContact O-N 3.28Å; T219-T222 PolarHBondContact O-N 3.05Å; T219-T222 PolarHBondContact O-OG1 2.73Å; T219-I223 WeakPolarHBondContact O-CB 3.46Å; T219-I223 WeakPolarHBondContact O-CG1 3.22Å; T219-I223 PolarHBondContact O-N 2.97Å |
| 220 | Y | 51.1 | Low | 52 | Low | 98 Ų | 98 | 80.9 Ų | 80.9 | 38% | 0.384 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -53.4 | -53 | 179.2 | -76.4 | -75.6 | 0 | 0 | 0 | 113.4 | P215 T216 T222 I223 D224 | P215-Y220 WeakPolarHBondContact CA-OH 3.31Å; P215-Y220 HydrophobicContact CB-CE2 4.44Å; T216-Y220 PolarHBondContact N-OH 3Å; T216-Y220 WeakPolarHBondContact O-CD2 3.45Å; T216-Y220 WeakPolarHBondContact O-CE2 3.23Å; T216-Y220 VanDerWaalsContact OG1-CE2 3.32Å; T216-Y220 WeakPolarHBondContact OG1-CE2 3.37Å; Y220-T222 VanDerWaalsContact C-N 3.27Å; Y220-T222 PolarHBondContact O-N 3.46Å; Y220-I223 PolarHBondContact O-N 3.44Å; Y220-D224 VanDerWaalsContact O-CB 3.25Å; Y220-D224 WeakPolarHBondContact O-CB 3.17Å; Y220-D224 PolarHBondContact O-N 3.4Å |
| 221 | D | 52.4 | Low | 53.2 | Low | 140 Ų | 140 | 79.7 Ų | 79.7 | 75% | 0.749 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.8 | -36 | -174.8 | -76.1 | -15 | 0 | 0 | 0 | 112.9 | T219 V225 | T219-D221 PolarHBondContact O-N 3.28Å; D221-V225 WeakPolarHBondContact O-CB 3.41Å; D221-V225 WeakPolarHBondContact O-CG2 3.48Å |
| 222 | T | 58.3 | Low | 54.2 | Low | 55 Ų | 55 | 80.8 Ų | 80.8 | 34% | 0.337 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -82.1 | -37.7 | -179.9 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | T219 Y220 L226 | T219-T222 PolarHBondContact O-N 3.05Å; T219-T222 PolarHBondContact O-OG1 2.73Å; Y220-T222 VanDerWaalsContact C-N 3.27Å; Y220-T222 PolarHBondContact O-N 3.46Å; T222-L226 WeakPolarHBondContact O-CB 3.45Å |
| 223 | I | 59.2 | Low | 55.1 | Low | 14 Ų | 14 | 77 Ų | 77 | 7% | 0.072 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -72.9 | -40.4 | 178 | -67.8 | 165.3 | 0 | 0 | 0 | 111.1 | L168 L170 T216 T219 Y220 L226 L227 | L168-I223 HydrophobicContact CD2-CD1 4.39Å; L170-I223 HydrophobicContact CD1-CD1 3.75Å; L170-I223 HydrophobicContact CD1-CG1 4.21Å; L170-I223 HydrophobicContact CD1-CG2 4.22Å; T216-I223 HydrophobicContact CG2-CD1 4.38Å; T219-I223 WeakPolarHBondContact O-CB 3.46Å; T219-I223 WeakPolarHBondContact O-CG1 3.22Å; T219-I223 PolarHBondContact O-N 2.97Å; Y220-I223 PolarHBondContact O-N 3.44Å; I223-L226 CarbonylContact O-C 3.58Å; I223-L226 WeakPolarHBondContact O-CA 3.38Å; I223-L226 VanDerWaalsContact O-CB 3.24Å; I223-L226 WeakPolarHBondContact O-CB 3.44Å; I223-L226 PolarHBondContact O-N 2.87Å; I223-L227 HydrophobicContact CG2-CD1 3.78Å; I223-L227 HydrophobicContact CG2-CG 3.98Å; I223-L227 WeakPolarHBondContact O-CG 3.44Å; I223-L227 PolarHBondContact O-N 3.08Å |
| 224 | D | 61.7 | Low | 56 | Low | 48 Ų | 48 | 76.4 Ų | 76.4 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.2 | -42 | -177 | -68.8 | -26 | 0 | 0 | 0 | 111.9 | Y220 L226 R228 | Y220-D224 VanDerWaalsContact O-CB 3.25Å; Y220-D224 WeakPolarHBondContact O-CB 3.17Å; Y220-D224 PolarHBondContact O-N 3.4Å; D224-L226 PolarHBondContact O-N 3.37Å; D224-L226 VanDerWaalsContact O-N 3.13Å; D224-R228 WeakPolarHBondContact O-CB 3.48Å; D224-R228 VanDerWaalsContact O-CG 3.29Å; D224-R228 WeakPolarHBondContact O-CG 3.49Å; D224-R228 PolarHBondContact O-N 3.25Å |
| 225 | V | 62.6 | Low | 57.2 | Low | 76 Ų | 76 | 74.2 Ų | 74.2 | 46% | 0.461 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -56.3 | -30 | 172.2 | 167.9 | 0 | 0 | 0 | 0 | 110.9 | D221 R229 | D221-V225 WeakPolarHBondContact O-CB 3.41Å; D221-V225 WeakPolarHBondContact O-CG2 3.48Å; V225-R229 WeakPolarHBondContact O-CB 3.38Å; V225-R229 VanDerWaalsContact O-CG 3.22Å; V225-R229 WeakPolarHBondContact O-CG 3.37Å; V225-R229 PolarHBondContact O-N 3.37Å |
| 226 | L | 60.1 | Low | 58.1 | Low | 12 Ų | 12 | 77 Ų | 77 | 6% | 0.063 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -90 | -41.8 | -169.8 | -168 | 145.8 | 0 | 0 | 0 | 111.7 | T222 I223 D224 R229 F230 I245 Y261 W262 V287 | T222-L226 WeakPolarHBondContact O-CB 3.45Å; I223-L226 CarbonylContact O-C 3.58Å; I223-L226 WeakPolarHBondContact O-CA 3.38Å; I223-L226 VanDerWaalsContact O-CB 3.24Å; I223-L226 WeakPolarHBondContact O-CB 3.44Å; I223-L226 PolarHBondContact O-N 2.87Å; D224-L226 PolarHBondContact O-N 3.37Å; D224-L226 VanDerWaalsContact O-N 3.13Å; L226-R229 PolarHBondContact O-N 3.37Å; L226-F230 HydrophobicContact CD2-CD2 3.9Å; L226-F230 HydrophobicContact CD2-CE2 3.71Å; L226-F230 VanDerWaalsContact O-CD2 3.31Å; L226-F230 WeakPolarHBondContact O-CD2 3.42Å; L226-F230 PolarHBondContact O-N 3.07Å; L226-I245 HydrophobicContact CD2-CD1 4.43Å; L226-Y261 HydrophobicContact CD1-CD1 4.32Å; L226-W262 HydrophobicContact CD1-CZ2 3.32Å; L226-W262 VanDerWaalsContact CD2-CE2 3.4Å; L226-W262 HydrophobicContact CD2-CH2 4.34Å; L226-W262 HydrophobicContact CD2-CZ2 3.43Å; L226-W262 VanDerWaalsContact CD2-CZ2 3.43Å; L226-W262 HydrophobicContact CG-CH2 4.13Å; L226-W262 HydrophobicContact CG-CZ2 3.14Å; L226-V287 HydrophobicContact CD1-CG2 4.47Å |
| 227 | L | 64.8 | Low | 58.5 | Low | 15 Ų | 15 | 77.4 Ų | 77.4 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60 | -45.3 | 168.1 | -70 | 176.9 | 0 | 0 | 0 | 111.2 | F204 L206 I223 R229 F230 E231 L242 I245 | F204-L227 HydrophobicContact CD2-CD1 4.08Å; F204-L227 HydrophobicContact CD2-CD2 3.47Å; F204-L227 VanDerWaalsContact CD2-CD2 3.47Å; F204-L227 HydrophobicContact CD2-CG 4.44Å; F204-L227 HydrophobicContact CE2-CD2 3.47Å; F204-L227 VanDerWaalsContact CE2-CD2 3.47Å; L206-L227 HydrophobicContact CD2-CD2 3.97Å; L206-L227 HydrophobicContact CG-CD2 4.4Å; I223-L227 HydrophobicContact CG2-CD1 3.78Å; I223-L227 HydrophobicContact CG2-CG 3.98Å; I223-L227 WeakPolarHBondContact O-CG 3.44Å; I223-L227 PolarHBondContact O-N 3.08Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 3.36Å; L227-F230 WeakPolarHBondContact O-CB 3.46Å; L227-F230 PolarHBondContact O-N 2.9Å; L227-F230 VanDerWaalsContact O-N 3.14Å; L227-E231 PolarHBondContact O-N 3.09Å; L227-L242 HydrophobicContact CD2-CD2 4.21Å; L227-I245 HydrophobicContact CD2-CD1 3.67Å |
| 228 | R | 66.3 | Low | 59 | Low | 142 Ų | 142 | 75 Ų | 75 | 54% | 0.536 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 175 | -73.6 | 178.4 | -170.5 | -178 | 3.7 | 112.3 | D224 F230 E231 D232 | D224-R228 WeakPolarHBondContact O-CB 3.48Å; D224-R228 VanDerWaalsContact O-CG 3.29Å; D224-R228 WeakPolarHBondContact O-CG 3.49Å; D224-R228 PolarHBondContact O-N 3.25Å; R228-F230 VanDerWaalsContact C-N 3.32Å; R228-F230 PolarHBondContact O-N 2.9Å; R228-E231 WeakPolarHBondContact O-CB 3.39Å; R228-E231 PolarHBondContact O-N 3.07Å; R228-D232 PolarHBondContact O-N 2.93Å |
| 229 | R | 64.1 | Low | 59.3 | Low | 88 Ų | 88 | 68.1 Ų | 68.1 | 33% | 0.332 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 175.9 | -79.4 | 174 | -177.5 | -164.8 | 2.2 | 112.5 | V225 L226 L227 M233 Q283 | V225-R229 WeakPolarHBondContact O-CB 3.38Å; V225-R229 VanDerWaalsContact O-CG 3.22Å; V225-R229 WeakPolarHBondContact O-CG 3.37Å; V225-R229 PolarHBondContact O-N 3.37Å; L226-R229 PolarHBondContact O-N 3.37Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 3.36Å; R229-M233 WeakPolarHBondContact O-CG 3.34Å; R229-M233 PolarHBondContact O-N 3.07Å; R229-Q283 PolarHBondContact NH1-O 3.21Å |
| 230 | F | 65 | Low | 59.5 | Low | 3 Ų | 3 | 68 Ų | 68 | 1% | 0.013 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.7 | -35.6 | 173.3 | -84.3 | -56 | 0 | 0 | 0 | 112.7 | L206 L226 L227 R228 M233 R234 F240 L242 W262 | L206-F230 HydrophobicContact CD2-CB 4.23Å; L226-F230 HydrophobicContact CD2-CD2 3.9Å; L226-F230 HydrophobicContact CD2-CE2 3.71Å; L226-F230 VanDerWaalsContact O-CD2 3.31Å; L226-F230 WeakPolarHBondContact O-CD2 3.42Å; L226-F230 PolarHBondContact O-N 3.07Å; L227-F230 WeakPolarHBondContact O-CB 3.46Å; L227-F230 PolarHBondContact O-N 2.9Å; L227-F230 VanDerWaalsContact O-N 3.14Å; R228-F230 VanDerWaalsContact C-N 3.32Å; R228-F230 PolarHBondContact O-N 2.9Å; F230-M233 HydrophobicContact CD1-CE 3.33Å; F230-M233 HydrophobicContact CE1-CE 3.52Å; F230-M233 HydrophobicContact CG-CE 4.31Å; F230-M233 PolarHBondContact O-N 3.37Å; F230-R234 WeakPolarHBondContact O-CB 3.5Å; F230-R234 PolarHBondContact O-N 3.43Å; F230-F240 HydrophobicContact CB-CE1 4.16Å; F230-F240 HydrophobicContact CD1-CD1 4.24Å; F230-F240 AromaticContact CD1-CE1 3.17Å; F230-F240 HydrophobicContact CD1-CE1 3.17Å; F230-F240 HydrophobicContact CD1-CE2 4.22Å; F230-F240 AromaticContact CD1-CZ 3.18Å; F230-F240 HydrophobicContact CD1-CZ 3.18Å; F230-F240 AromaticContact CE1-CE1 3.68Å; F230-F240 HydrophobicContact CE1-CE1 3.68Å; F230-F240 AromaticContact CE1-CE2 3.88Å; F230-F240 HydrophobicContact CE1-CE2 3.88Å; F230-F240 AromaticContact CE1-CZ 3.11Å; F230-F240 HydrophobicContact CE1-CZ 3.11Å; F230-F240 AromaticContact CG-CE1 3.92Å; F230-F240 HydrophobicContact CG-CE1 3.92Å; F230-F240 HydrophobicContact CG-CZ 4.13Å; F230-F240 AromaticContact CZ-CZ 3.97Å; F230-F240 HydrophobicContact CZ-CZ 3.97Å; F230-L242 HydrophobicContact CB-CD2 4.3Å; F230-L242 HydrophobicContact CD2-CD1 4.21Å; F230-L242 HydrophobicContact CD2-CD2 3.76Å; F230-L242 HydrophobicContact CE1-CD1 4.26Å; F230-L242 HydrophobicContact CE2-CD1 3.87Å; F230-L242 HydrophobicContact CE2-CD2 4.17Å; F230-L242 HydrophobicContact CG-CD1 4.48Å; F230-L242 HydrophobicContact CG-CD2 4.08Å; F230-L242 HydrophobicContact CZ-CD1 3.88Å; F230-W262 HydrophobicContact CD2-CH2 4.37Å; F230-W262 HydrophobicContact CE1-CE3 4.24Å; F230-W262 HydrophobicContact CE1-CH2 4.14Å; F230-W262 AromaticContact CE1-CZ3 3.72Å; F230-W262 HydrophobicContact CE1-CZ3 3.72Å; F230-W262 AromaticContact CE2-CD2 3.91Å; F230-W262 HydrophobicContact CE2-CD2 3.91Å; F230-W262 AromaticContact CE2-CE2 3.83Å; F230-W262 AromaticContact CE2-CE3 3.9Å; F230-W262 HydrophobicContact CE2-CE3 3.9Å; F230-W262 AromaticContact CE2-CH2 3.57Å; F230-W262 HydrophobicContact CE2-CH2 3.57Å; F230-W262 AromaticContact CE2-CZ2 3.83Å; F230-W262 HydrophobicContact CE2-CZ2 3.83Å; F230-W262 AromaticContact CE2-CZ3 3.69Å; F230-W262 HydrophobicContact CE2-CZ3 3.69Å; F230-W262 AromaticContact CZ-CD2 3.77Å; F230-W262 HydrophobicContact CZ-CD2 3.77Å; F230-W262 AromaticContact CZ-CE3 3.3Å; F230-W262 HydrophobicContact CZ-CE3 3.3Å; F230-W262 AromaticContact CZ-CH2 3.46Å; F230-W262 HydrophobicContact CZ-CH2 3.46Å; F230-W262 VanDerWaalsContact CZ-CH2 3.46Å; F230-W262 HydrophobicContact CZ-CZ2 4.11Å; F230-W262 AromaticContact CZ-CZ3 3.08Å; F230-W262 HydrophobicContact CZ-CZ3 3.08Å |
| 231 | E | 66 | Low | 59.7 | Low | 87 Ų | 87 | 67.4 Ų | 67.4 | 41% | 0.407 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 173.5 | -159.3 | 174.9 | -169.3 | 0 | 0 | 110.9 | L227 R228 M233 R234 S235 | L227-E231 PolarHBondContact O-N 3.09Å; R228-E231 WeakPolarHBondContact O-CB 3.39Å; R228-E231 PolarHBondContact O-N 3.07Å; E231-M233 VanDerWaalsContact C-N 3.32Å; E231-M233 PolarHBondContact O-N 3.37Å; E231-R234 PolarHBondContact O-N 2.86Å; E231-S235 PolarHBondContact O-N 3.14Å |
| 232 | D | 64.9 | Low | 60 | Low | 103 Ų | 103 | 61 Ų | 61 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.6 | -42.4 | 172.5 | -72.7 | -20.4 | 0 | 0 | 0 | 111.6 | R228 S235 N236 | R228-D232 PolarHBondContact O-N 2.93Å; D232-S235 PolarHBondContact O-N 3.14Å; D232-S235 PolarHBondContact O-OG 2.87Å; D232-N236 PolarHBondContact O-N 3.3Å; D232-N236 PolarHBondContact O-ND2 2.92Å |
| 233 | M | 58.3 | Low | 59.9 | Low | 41 Ų | 41 | 59.1 Ų | 59.1 | 20% | 0.202 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 176.2 | -74.5 | -162.5 | -63.1 | 0 | 0 | 113 | R229 F230 E231 S235 N236 S237 V278 F284 | R229-M233 WeakPolarHBondContact O-CG 3.34Å; R229-M233 PolarHBondContact O-N 3.07Å; F230-M233 HydrophobicContact CD1-CE 3.33Å; F230-M233 HydrophobicContact CE1-CE 3.52Å; F230-M233 HydrophobicContact CG-CE 4.31Å; F230-M233 PolarHBondContact O-N 3.37Å; E231-M233 VanDerWaalsContact C-N 3.32Å; E231-M233 PolarHBondContact O-N 3.37Å; M233-S235 PolarHBondContact O-N 3.48Å; M233-N236 CarbonylContact O-C 3.54Å; M233-N236 WeakPolarHBondContact O-CA 3.07Å; M233-N236 PolarHBondContact O-N 3.38Å; M233-S237 PolarHBondContact O-N 2.69Å; M233-V278 HydrophobicContact CE-CG1 4.26Å; M233-V278 HydrophobicContact SD-CG1 4.11Å; M233-V278 HydrophobicContact SD-CG2 4.17Å; M233-F284 HydrophobicContact CE-CZ 4.26Å |
| 234 | R | 61.3 | Low | 60 | Low | 121 Ų | 121 | 58.5 Ų | 58.5 | 46% | 0.457 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -36.3 | 175.4 | -175.8 | 178.5 | -179 | 169.8 | 1.8 | 111.3 | F230 E231 N236 S237 | F230-R234 WeakPolarHBondContact O-CB 3.5Å; F230-R234 PolarHBondContact O-N 3.43Å; E231-R234 PolarHBondContact O-N 2.86Å; R234-N236 VanDerWaalsContact C-N 3.26Å; R234-N236 PolarHBondContact O-N 3.2Å; R234-S237 CarbonylContact O-C 3.45Å; R234-S237 PolarHBondContact O-N 3.33Å |
| 235 | S | 64 | Low | 60.1 | Low | 95 Ų | 95 | 56.5 Ų | 56.5 | 66% | 0.664 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.7 | -32.2 | 173.6 | 83.8 | 0 | 0 | 0 | 0 | 112.6 | E231 D232 M233 | E231-S235 PolarHBondContact O-N 3.14Å; D232-S235 PolarHBondContact O-N 3.14Å; D232-S235 PolarHBondContact O-OG 2.87Å; M233-S235 PolarHBondContact O-N 3.48Å |
| 236 | N | 58.6 | Low | 60.2 | Low | 139 Ų | 139 | 53.1 Ų | 53.1 | 74% | 0.743 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -85.7 | -26.9 | 179.1 | -76.1 | -32.4 | 0 | 0 | 0 | 113.6 | D232 M233 R234 | D232-N236 PolarHBondContact O-N 3.3Å; D232-N236 PolarHBondContact O-ND2 2.92Å; M233-N236 CarbonylContact O-C 3.54Å; M233-N236 WeakPolarHBondContact O-CA 3.07Å; M233-N236 PolarHBondContact O-N 3.38Å; R234-N236 VanDerWaalsContact C-N 3.26Å; R234-N236 PolarHBondContact O-N 3.2Å |
| 237 | S | 51.4 | Low | 60.5 | Low | 23 Ų | 23 | 52.9 Ų | 52.9 | 16% | 0.161 | 27% | 0.27 | C | S | . | . | trans | -144.7 | 113.4 | -178.8 | -170 | 0 | 0 | 0 | 0 | 111 | M233 R234 S239 | M233-S237 PolarHBondContact O-N 2.69Å; R234-S237 CarbonylContact O-C 3.45Å; R234-S237 PolarHBondContact O-N 3.33Å; S237-S239 PolarHBondContact O-N 3.28Å; S237-S239 PolarHBondContact OG-OG 3.41Å | ||
| 238 | S | 53.9 | Low | 60.4 | Low | 99 Ų | 99 | 52.8 Ų | 52.8 | 69% | 0.692 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -8.6 | 179.6 | 54.6 | 0 | 0 | 0 | 0 | 114 | F240 | S238-F240 VanDerWaalsContact C-N 3.29Å; S238-F240 PolarHBondContact O-N 3.2Å |
| 239 | S | 52.8 | Low | 60.2 | Low | 15 Ų | 15 | 47.8 Ų | 47.8 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -9.3 | -176.1 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | S237 T269 | S237-S239 PolarHBondContact O-N 3.28Å; S237-S239 PolarHBondContact OG-OG 3.41Å; S239-T269 WeakPolarHBondContact CB-O 3.48Å; S239-T269 PolarHBondContact O-OG1 2.99Å; S239-T269 VanDerWaalsContact O-OG1 3.1Å |
| 240 | F | 52.9 | Low | 60.2 | Low | 13 Ų | 13 | 44.5 Ų | 44.5 | 6% | 0.057 | 24% | 0.241 | C | C | . | . | trans | -98.1 | 109.1 | -176.6 | -178.4 | -100.9 | 0 | 0 | 0 | 111.4 | F230 S238 L242 L264 L268 I270 | F230-F240 HydrophobicContact CB-CE1 4.16Å; F230-F240 HydrophobicContact CD1-CD1 4.24Å; F230-F240 AromaticContact CD1-CE1 3.17Å; F230-F240 HydrophobicContact CD1-CE1 3.17Å; F230-F240 HydrophobicContact CD1-CE2 4.22Å; F230-F240 AromaticContact CD1-CZ 3.18Å; F230-F240 HydrophobicContact CD1-CZ 3.18Å; F230-F240 AromaticContact CE1-CE1 3.68Å; F230-F240 HydrophobicContact CE1-CE1 3.68Å; F230-F240 AromaticContact CE1-CE2 3.88Å; F230-F240 HydrophobicContact CE1-CE2 3.88Å; F230-F240 AromaticContact CE1-CZ 3.11Å; F230-F240 HydrophobicContact CE1-CZ 3.11Å; F230-F240 AromaticContact CG-CE1 3.92Å; F230-F240 HydrophobicContact CG-CE1 3.92Å; F230-F240 HydrophobicContact CG-CZ 4.13Å; F230-F240 AromaticContact CZ-CZ 3.97Å; F230-F240 HydrophobicContact CZ-CZ 3.97Å; S238-F240 VanDerWaalsContact C-N 3.29Å; S238-F240 PolarHBondContact O-N 3.2Å; F240-L242 HydrophobicContact CE1-CB 3.68Å; F240-L242 HydrophobicContact CE1-CD1 4.22Å; F240-L242 HydrophobicContact CE1-CG 4.47Å; F240-L242 HydrophobicContact CZ-CB 3.83Å; F240-L242 HydrophobicContact CZ-CD1 3.61Å; F240-L242 HydrophobicContact CZ-CG 4.3Å; F240-L264 HydrophobicContact CE2-CD1 4.23Å; F240-L268 HydrophobicContact CD2-CD2 3.76Å; F240-L268 HydrophobicContact CE2-CD1 4.43Å; F240-L268 HydrophobicContact CE2-CD2 3.78Å; F240-I270 HydrophobicContact CB-CD1 4.46Å; F240-I270 HydrophobicContact CD2-CD1 3.95Å | ||
| 241 | L | 55.2 | Low | 60 | Low | 87 Ų | 87 | 47.8 Ų | 47.8 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | trans | -111.7 | 110.3 | 168.7 | -149.1 | 95 | 0 | 0 | 0 | 108.8 | S243 | L241-S243 PolarHBondContact O-N 2.95Š| ||
| 242 | L | 58.4 | Low | 59.9 | Low | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | trans | -81.4 | 115.3 | 175.4 | -172.9 | 77.7 | 0 | 0 | 0 | 108.7 | F204 L206 L227 F230 F240 I245 L264 | F204-L242 HydrophobicContact CE2-CD2 4.01Å; F204-L242 HydrophobicContact CZ-CD2 4.13Å; F204-L242 HydrophobicContact CZ-CG 4.44Å; L206-L242 HydrophobicContact CD1-CB 4.17Å; L206-L242 HydrophobicContact CD1-CD2 4.33Å; L206-L242 HydrophobicContact CD2-CD2 4.05Å; L206-L242 HydrophobicContact CG-CD2 4.46Å; L227-L242 HydrophobicContact CD2-CD2 4.21Å; F230-L242 HydrophobicContact CB-CD2 4.3Å; F230-L242 HydrophobicContact CD2-CD1 4.21Å; F230-L242 HydrophobicContact CD2-CD2 3.76Å; F230-L242 HydrophobicContact CE1-CD1 4.26Å; F230-L242 HydrophobicContact CE2-CD1 3.87Å; F230-L242 HydrophobicContact CE2-CD2 4.17Å; F230-L242 HydrophobicContact CG-CD1 4.48Å; F230-L242 HydrophobicContact CG-CD2 4.08Å; F230-L242 HydrophobicContact CZ-CD1 3.88Å; F240-L242 HydrophobicContact CE1-CB 3.68Å; F240-L242 HydrophobicContact CE1-CD1 4.22Å; F240-L242 HydrophobicContact CE1-CG 4.47Å; F240-L242 HydrophobicContact CZ-CB 3.83Å; F240-L242 HydrophobicContact CZ-CD1 3.61Å; F240-L242 HydrophobicContact CZ-CG 4.3Å; L242-I245 HydrophobicContact CD1-CG1 4.16Å; L242-I245 HydrophobicContact CD2-CD1 3.77Å; L242-I245 HydrophobicContact CD2-CG1 3.95Å; L242-I245 HydrophobicContact CG-CG1 4.22Å; L242-L264 HydrophobicContact CD1-CD1 4.46Å; L242-L264 HydrophobicContact CD1-CD2 3.57Å | ||
| 243 | S | 57.4 | Low | 60 | Low | 15 Ų | 15 | 51.3 Ų | 51.3 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | trans | -102.3 | -41.3 | -178.6 | 61.5 | 0 | 0 | 0 | 0 | 112.6 | D172 L241 T266 | D172-S243 PolarHBondContact N-O 3.4Å; D172-S243 VanDerWaalsContact N-O 3.13Å; L241-S243 PolarHBondContact O-N 2.95Å; S243-T266 WeakPolarHBondContact OG-CG2 3.48Å; S243-T266 PolarHBondContact OG-OG1 3.44Å | ||
| 244 | H | 61.4 | Low | 60.2 | Low | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 149.2 | -175.1 | -50.1 | 68.1 | 0 | 0 | 0 | 110.9 | L169 L170 V171 N175 T178 F246 L264 P265 | L169-H244 HydrophobicContact CD1-CB 4.26Å; L170-H244 CarbonylContact O-C 3.49Å; L170-H244 VanDerWaalsContact O-CA 3.23Å; L170-H244 WeakPolarHBondContact O-CA 3.48Å; V171-H244 WeakPolarHBondContact CG1-CD2 3.4Å; V171-H244 VanDerWaalsContact CG1-NE2 3.3Å; V171-H244 WeakPolarHBondContact CG1-NE2 3.4Å; N175-H244 PolarHBondContact ND2-CE1 3.34Å; N175-H244 PolarHBondContact ND2-NE2 3.46Å; N175-H244 VanDerWaalsContact ND2-NE2 3.12Å; T178-H244 WeakPolarHBondContact CG2-CD2 3.48Å; T178-H244 WeakPolarHBondContact CG2-NE2 3.37Å; H244-F246 HydrophobicContact CB-CE2 4.31Å; H244-L264 WeakPolarHBondContact O-CD2 3.28Å; H244-P265 HydrophobicContact CB-CG 3.71Å; H244-P265 WeakPolarHBondContact ND1-CG 3.3Å |
| 245 | I | 62.8 | Low | 60.2 | Low | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 121.6 | 172.9 | -50.5 | 172.5 | 0 | 0 | 0 | 108.4 | L170 F204 L226 L227 L242 Y261 W262 | L170-I245 HydrophobicContact CB-CB 3.99Å; L170-I245 WeakPolarHBondContact CB-O 3.36Å; L170-I245 HydrophobicContact CD1-CB 4.14Å; L170-I245 HydrophobicContact CD1-CG2 4.36Å; L170-I245 PolarHBondContact N-O 3.42Å; L170-I245 PolarHBondContact O-N 2.85Å; F204-I245 HydrophobicContact CD2-CD1 4.46Å; F204-I245 HydrophobicContact CE1-CD1 4.23Å; F204-I245 HydrophobicContact CE1-CG1 4.1Å; F204-I245 HydrophobicContact CE2-CD1 3.86Å; F204-I245 HydrophobicContact CE2-CG1 4.39Å; F204-I245 HydrophobicContact CZ-CD1 3.71Å; F204-I245 HydrophobicContact CZ-CG1 3.74Å; L226-I245 HydrophobicContact CD2-CD1 4.43Å; L227-I245 HydrophobicContact CD2-CD1 3.67Å; L242-I245 HydrophobicContact CD1-CG1 4.16Å; L242-I245 HydrophobicContact CD2-CD1 3.77Å; L242-I245 HydrophobicContact CD2-CG1 3.95Å; L242-I245 HydrophobicContact CG-CG1 4.22Å; I245-Y261 VanDerWaalsContact CG2-O 3.25Å; I245-Y261 WeakPolarHBondContact CG2-O 3.29Å; I245-W262 HydrophobicContact CG2-CG 4.45Å |
| 246 | F | 63.9 | Low | 60.1 | Low | 5 Ų | 5 | 62.1 Ų | 62.1 | 2% | 0.022 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 97 | -179.6 | -85.6 | -93 | 0 | 0 | 0 | 111.7 | I155 L169 H244 I248 Y261 I263 P265 | I155-F246 HydrophobicContact CB-CE1 4.48Å; I155-F246 HydrophobicContact CB-CZ 4.35Å; I155-F246 HydrophobicContact CD1-CE1 4.35Å; I155-F246 HydrophobicContact CD1-CE2 3.9Å; I155-F246 HydrophobicContact CD1-CZ 3.44Å; I155-F246 VanDerWaalsContact CD1-CZ 3.44Å; I155-F246 HydrophobicContact CG1-CE1 4.38Å; I155-F246 HydrophobicContact CG1-CE2 4.28Å; I155-F246 HydrophobicContact CG1-CZ 3.84Å; I155-F246 HydrophobicContact CG2-CD1 4.16Å; I155-F246 HydrophobicContact CG2-CE1 3.29Å; I155-F246 HydrophobicContact CG2-CZ 3.55Å; L169-F246 HydrophobicContact CB-CE1 4.21Å; L169-F246 HydrophobicContact CD1-CD1 3.96Å; L169-F246 HydrophobicContact CD1-CD2 3.69Å; L169-F246 HydrophobicContact CD1-CE1 3.53Å; L169-F246 HydrophobicContact CD1-CE2 3.27Å; L169-F246 HydrophobicContact CD1-CG 4.05Å; L169-F246 HydrophobicContact CD1-CZ 3.19Å; L169-F246 HydrophobicContact CD2-CE1 3.93Å; L169-F246 HydrophobicContact CD2-CZ 3.76Å; L169-F246 HydrophobicContact CG-CE1 4.09Å; L169-F246 HydrophobicContact CG-CZ 4.01Å; H244-F246 HydrophobicContact CB-CE2 4.31Å; F246-I248 PolarHBondContact O-N 3.24Å; F246-Y261 CarbonylContact C-O 3.54Å; F246-Y261 CarbonylContact O-C 3.57Å; F246-I263 HydrophobicContact CB-CB 4.21Å; F246-I263 WeakPolarHBondContact CD2-O 3.33Å; F246-P265 HydrophobicContact CE2-CB 4.48Å; F246-P265 HydrophobicContact CE2-CG 3.97Å |
| 247 | H | 66.3 | Low | 60.3 | Low | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 110.8 | 175 | 170.1 | -116.6 | 0 | 0 | 0 | 110.7 | A167 L168 Q249 F260 Y261 | A167-H247 CarbonylContact C-O 3.59Å; A167-H247 VanDerWaalsContact CA-O 3.25Å; A167-H247 WeakPolarHBondContact CA-O 2.95Å; L168-H247 HydrophobicContact CB-CB 4.18Å; L168-H247 PolarHBondContact N-O 2.91Å; L168-H247 PolarHBondContact O-N 3.42Å; H247-Q249 VanDerWaalsContact CE1-CD 3.49Å; H247-Q249 VanDerWaalsContact CE1-CG 3.4Å; H247-Q249 WeakPolarHBondContact CE1-CG 3.23Å; H247-Q249 PolarHBondContact CE1-NE2 2.93Å; H247-F260 CarbonylContact C-O 3.58Å; H247-F260 WeakPolarHBondContact CA-O 3.31Å; H247-Y261 AromaticContact CD2-CD1 3.66Å; H247-Y261 AromaticContact CD2-CE1 3.82Å |
| 248 | I | 62.9 | Low | 60.9 | Low | 13 Ų | 13 | 67 Ų | 67 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.2 | -171.8 | -75.2 | 172.7 | 0 | 0 | 0 | 108.3 | V164 A167 F246 F260 I263 | V164-I248 HydrophobicContact CB-CG2 4.07Å; V164-I248 HydrophobicContact CG1-CB 4.35Å; V164-I248 HydrophobicContact CG1-CG2 3.57Å; V164-I248 HydrophobicContact CG2-CG2 3.31Å; A167-I248 HydrophobicContact CB-CG1 4.06Å; F246-I248 PolarHBondContact O-N 3.24Å; I248-F260 HydrophobicContact CB-CB 4.01Å; I248-F260 HydrophobicContact CG2-CB 4.26Å; I248-F260 HydrophobicContact CG2-CD2 4.25Å; I248-F260 PolarHBondContact N-O 3.09Å; I248-F260 PolarHBondContact O-N 2.85Å; I248-I263 HydrophobicContact CD1-CD1 3.72Å |
| 249 | Q | 63.5 | Low | 61.3 | Low | 37 Ų | 37 | 64.8 Ų | 64.8 | 17% | 0.173 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 117.4 | 179.2 | -64.3 | -171.9 | -38.8 | 0 | 0 | 110.7 | V164 Q166 H247 Y251 | V164-Q249 WeakPolarHBondContact CG1-O 3.46Å; Q166-Q249 PolarHBondContact O-N 3.28Å; H247-Q249 VanDerWaalsContact CE1-CD 3.49Å; H247-Q249 VanDerWaalsContact CE1-CG 3.4Å; H247-Q249 WeakPolarHBondContact CE1-CG 3.23Å; H247-Q249 PolarHBondContact CE1-NE2 2.93Å; Q249-Y251 HydrophobicContact CB-CD2 4.13Å; Q249-Y251 HydrophobicContact CB-CE2 3.53Å; Q249-Y251 WeakPolarHBondContact O-CD2 3.34Å; Q249-Y251 PolarHBondContact OE1-OH 2.97Å |
| 250 | I | 63.8 | Low | 61.7 | Low | 18 Ų | 18 | 66.1 Ų | 66.1 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 122.4 | 176.4 | -55.7 | -175.9 | 0 | 0 | 0 | 108.7 | E162 V164 V256 F257 R258 F260 | E162-I250 HydrophobicContact CB-CD1 3.93Å; V164-I250 HydrophobicContact CG2-CG1 4.25Å; I250-V256 CarbonylContact O-C 3.51Å; I250-F257 PolarHBondContact O-N 2.86Å; I250-R258 HydrophobicContact CB-CB 4.48Å; I250-R258 HydrophobicContact CD1-CB 4.45Å; I250-R258 PolarHBondContact N-O 3.4Å; I250-F260 HydrophobicContact CD1-CD2 4.11Å; I250-F260 HydrophobicContact CD1-CE2 3.49Å; I250-F260 VanDerWaalsContact CD1-CE2 3.49Å; I250-F260 HydrophobicContact CD1-CZ 4.42Å; I250-F260 HydrophobicContact CG1-CD2 4.41Å; I250-F260 HydrophobicContact CG1-CE2 4.23Å |
| 251 | Y | 59.8 | Low | 62.1 | Low | 73 Ų | 73 | 66.5 Ų | 66.5 | 29% | 0.286 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 138.5 | 178.9 | -70.5 | -106.6 | 0 | 0 | 0 | 111.3 | S165 Q166 Q249 Y255 V256 | S165-Y251 WeakPolarHBondContact OG-CB 3.35Å; S165-Y251 WeakPolarHBondContact OG-CD2 3.45Å; Q166-Y251 HydrophobicContact CB-CE2 4.09Å; Q166-Y251 HydrophobicContact CG-CE2 4.22Å; Q166-Y251 PolarHBondContact OE1-OH 3.32Å; Q249-Y251 HydrophobicContact CB-CD2 4.13Å; Q249-Y251 HydrophobicContact CB-CE2 3.53Å; Q249-Y251 WeakPolarHBondContact O-CD2 3.34Å; Q249-Y251 PolarHBondContact OE1-OH 2.97Å; Y251-Y255 CarbonylContact C-O 3.48Å; Y251-Y255 WeakPolarHBondContact CA-O 3.46Å; Y251-V256 HydrophobicContact CD1-CG2 3.81Å; Y251-V256 HydrophobicContact CE1-CG2 3.34Å; Y251-V256 HydrophobicContact CE2-CG2 4.23Å; Y251-V256 HydrophobicContact CG-CG2 4.43Å |
| 252 | Q | 65 | Low | 62.5 | Low | 116 Ų | 116 | 62.7 Ų | 62.7 | 54% | 0.542 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 119.5 | 169.3 | -167.1 | 174.9 | 9.4 | 0 | 0 | 109.5 | R254 Y255 F257 | Q252-R254 VanDerWaalsContact C-N 3.26Å; Q252-R254 PolarHBondContact O-N 3.32Å; Q252-Y255 PolarHBondContact N-O 2.97Å; Q252-Y255 PolarHBondContact O-N 2.97Å; Q252-F257 HydrophobicContact CB-CB 4.44Å |
| 253 | N | 65.9 | Low | 62.6 | Low | 147 Ų | 147 | 63.4 Ų | 63.4 | 79% | 0.786 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 44.8 | -179.8 | -72.3 | -15.6 | 0 | 0 | 0 | 113.8 | Y255 | N253-Y255 VanDerWaalsContact C-N 3.3Å; N253-Y255 WeakPolarHBondContact O-CD2 3.39Å; N253-Y255 PolarHBondContact O-N 2.95Å |
| 254 | R | 64.3 | Low | 62.7 | Low | 233 Ų | 233 | 62.8 Ų | 62.8 | 88% | 0.879 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | -2.7 | -176.2 | -54.4 | -177.1 | -179.9 | -175.8 | -0.7 | 117 | Q252 | Q252-R254 VanDerWaalsContact C-N 3.26Å; Q252-R254 PolarHBondContact O-N 3.32Å |
| 255 | Y | 61 | Low | 62.4 | Low | 186 Ų | 186 | 62.8 Ų | 62.8 | 73% | 0.729 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.2 | 173.8 | -62.4 | -79.2 | 0 | 0 | 0 | 110.4 | Y251 Q252 N253 F257 | Y251-Y255 CarbonylContact C-O 3.48Å; Y251-Y255 WeakPolarHBondContact CA-O 3.46Å; Q252-Y255 PolarHBondContact N-O 2.97Å; Q252-Y255 PolarHBondContact O-N 2.97Å; N253-Y255 VanDerWaalsContact C-N 3.3Å; N253-Y255 WeakPolarHBondContact O-CD2 3.39Å; N253-Y255 PolarHBondContact O-N 2.95Å; Y255-F257 PolarHBondContact O-N 3.06Å |
| 256 | V | 60.7 | Low | 62.1 | Low | 66 Ų | 66 | 63.9 Ų | 63.9 | 40% | 0.4 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 117.7 | 172.7 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | I250 Y251 N259 | I250-V256 CarbonylContact O-C 3.51Å; Y251-V256 HydrophobicContact CD1-CG2 3.81Å; Y251-V256 HydrophobicContact CE1-CG2 3.34Å; Y251-V256 HydrophobicContact CE2-CG2 4.23Å; Y251-V256 HydrophobicContact CG-CG2 4.43Å; V256-N259 WeakPolarHBondContact CG1-OD1 3.48Å |
| 257 | F | 63.2 | Low | 61.9 | Low | 124 Ų | 124 | 64.3 Ų | 64.3 | 54% | 0.544 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -42 | -178.7 | -174.5 | -102.8 | 0 | 0 | 0 | 111.8 | I250 Q252 Y255 | I250-F257 PolarHBondContact O-N 2.86Å; Q252-F257 HydrophobicContact CB-CB 4.44Å; Y255-F257 PolarHBondContact O-N 3.06Å |
| 258 | R | 64.2 | Low | 61.7 | Low | 139 Ų | 139 | 64.5 Ų | 64.5 | 53% | 0.525 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 143.8 | -179.6 | -77.2 | -178.2 | -176.6 | -173.8 | -1 | 111.9 | I250 F260 | I250-R258 HydrophobicContact CB-CB 4.48Å; I250-R258 HydrophobicContact CD1-CB 4.45Å; I250-R258 PolarHBondContact N-O 3.4Å; R258-F260 HydrophobicContact CB-CD2 4.39Å; R258-F260 HydrophobicContact CB-CE2 3.83Å |
| 259 | N | 61.5 | Low | 61.7 | Low | 53 Ų | 53 | 64.6 Ų | 64.6 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123 | 169.7 | -66.4 | -19.8 | 0 | 0 | 0 | 108.9 | V256 Y261 | V256-N259 WeakPolarHBondContact CG1-OD1 3.48Å; N259-Y261 HydrophobicContact CB-CD2 4.31Å; N259-Y261 HydrophobicContact CB-CE2 3.61Å |
| 260 | F | 61.9 | Low | 61.8 | Low | 44 Ų | 44 | 63.6 Ų | 63.6 | 19% | 0.193 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134 | 167 | -65.3 | -102.8 | 0 | 0 | 0 | 106.2 | H247 I248 I250 R258 A288 | H247-F260 CarbonylContact C-O 3.58Å; H247-F260 WeakPolarHBondContact CA-O 3.31Å; I248-F260 HydrophobicContact CB-CB 4.01Å; I248-F260 HydrophobicContact CG2-CB 4.26Å; I248-F260 HydrophobicContact CG2-CD2 4.25Å; I248-F260 PolarHBondContact N-O 3.09Å; I248-F260 PolarHBondContact O-N 2.85Å; I250-F260 HydrophobicContact CD1-CD2 4.11Å; I250-F260 HydrophobicContact CD1-CE2 3.49Å; I250-F260 VanDerWaalsContact CD1-CE2 3.49Å; I250-F260 HydrophobicContact CD1-CZ 4.42Å; I250-F260 HydrophobicContact CG1-CD2 4.41Å; I250-F260 HydrophobicContact CG1-CE2 4.23Å; R258-F260 HydrophobicContact CB-CD2 4.39Å; R258-F260 HydrophobicContact CB-CE2 3.83Å; F260-A288 HydrophobicContact CD1-CB 3.26Å; F260-A288 HydrophobicContact CE1-CB 3.51Å; F260-A288 HydrophobicContact CG-CB 4.26Å |
| 261 | Y | 61.4 | Low | 62.3 | Low | 21 Ų | 21 | 63.6 Ų | 63.6 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -32.3 | -176 | -60.7 | -107.2 | 0 | 0 | 0 | 112.8 | L226 I245 F246 H247 N259 V287 | L226-Y261 HydrophobicContact CD1-CD1 4.32Å; I245-Y261 VanDerWaalsContact CG2-O 3.25Å; I245-Y261 WeakPolarHBondContact CG2-O 3.29Å; F246-Y261 CarbonylContact C-O 3.54Å; F246-Y261 CarbonylContact O-C 3.57Å; H247-Y261 AromaticContact CD2-CD1 3.66Å; H247-Y261 AromaticContact CD2-CE1 3.82Å; N259-Y261 HydrophobicContact CB-CD2 4.31Å; N259-Y261 HydrophobicContact CB-CE2 3.61Å; Y261-V287 HydrophobicContact CD2-CB 3.96Å; Y261-V287 HydrophobicContact CD2-CG1 3.78Å; Y261-V287 HydrophobicContact CD2-CG2 3.53Å; Y261-V287 HydrophobicContact CE2-CG2 3.89Å; Y261-V287 HydrophobicContact CG-CG1 3.97Å; Y261-V287 HydrophobicContact CG-CG2 4.07Å |
| 262 | W | 62.7 | Low | 63 | Low | 6 Ų | 6 | 60.2 Ų | 60.2 | 2% | 0.023 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 120.7 | -166.9 | -41.3 | -29.5 | 0 | 0 | 0 | 112.9 | L226 F230 I245 F284 V287 T289 G290 | L226-W262 HydrophobicContact CD1-CZ2 3.32Å; L226-W262 VanDerWaalsContact CD2-CE2 3.4Å; L226-W262 HydrophobicContact CD2-CH2 4.34Å; L226-W262 HydrophobicContact CD2-CZ2 3.43Å; L226-W262 VanDerWaalsContact CD2-CZ2 3.43Å; L226-W262 HydrophobicContact CG-CH2 4.13Å; L226-W262 HydrophobicContact CG-CZ2 3.14Å; F230-W262 HydrophobicContact CD2-CH2 4.37Å; F230-W262 HydrophobicContact CE1-CE3 4.24Å; F230-W262 HydrophobicContact CE1-CH2 4.14Å; F230-W262 AromaticContact CE1-CZ3 3.72Å; F230-W262 HydrophobicContact CE1-CZ3 3.72Å; F230-W262 AromaticContact CE2-CD2 3.91Å; F230-W262 HydrophobicContact CE2-CD2 3.91Å; F230-W262 AromaticContact CE2-CE2 3.83Å; F230-W262 AromaticContact CE2-CE3 3.9Å; F230-W262 HydrophobicContact CE2-CE3 3.9Å; F230-W262 AromaticContact CE2-CH2 3.57Å; F230-W262 HydrophobicContact CE2-CH2 3.57Å; F230-W262 AromaticContact CE2-CZ2 3.83Å; F230-W262 HydrophobicContact CE2-CZ2 3.83Å; F230-W262 AromaticContact CE2-CZ3 3.69Å; F230-W262 HydrophobicContact CE2-CZ3 3.69Å; F230-W262 AromaticContact CZ-CD2 3.77Å; F230-W262 HydrophobicContact CZ-CD2 3.77Å; F230-W262 AromaticContact CZ-CE3 3.3Å; F230-W262 HydrophobicContact CZ-CE3 3.3Å; F230-W262 AromaticContact CZ-CH2 3.46Å; F230-W262 HydrophobicContact CZ-CH2 3.46Å; F230-W262 VanDerWaalsContact CZ-CH2 3.46Å; F230-W262 HydrophobicContact CZ-CZ2 4.11Å; F230-W262 AromaticContact CZ-CZ3 3.08Å; F230-W262 HydrophobicContact CZ-CZ3 3.08Å; I245-W262 HydrophobicContact CG2-CG 4.45Å; W262-F284 AromaticContact CH2-CD1 3.49Å; W262-F284 HydrophobicContact CH2-CD1 3.49Å; W262-F284 VanDerWaalsContact CH2-CD1 3.49Å; W262-F284 AromaticContact CH2-CE1 3.02Å; W262-F284 HydrophobicContact CH2-CE1 3.02Å; W262-F284 HydrophobicContact CH2-CE2 4.3Å; W262-F284 HydrophobicContact CH2-CG 4.35Å; W262-F284 AromaticContact CH2-CZ 3.47Å; W262-F284 HydrophobicContact CH2-CZ 3.47Å; W262-F284 VanDerWaalsContact CH2-CZ 3.47Å; W262-F284 AromaticContact CZ2-CD1 3.94Å; W262-F284 HydrophobicContact CZ2-CD1 3.94Å; W262-F284 AromaticContact CZ2-CE1 3.78Å; W262-F284 HydrophobicContact CZ2-CE1 3.78Å; W262-F284 HydrophobicContact CZ3-CD1 4.05Å; W262-F284 AromaticContact CZ3-CE1 3.72Å; W262-F284 HydrophobicContact CZ3-CE1 3.72Å; W262-F284 HydrophobicContact CZ3-CE2 4.2Å; W262-F284 HydrophobicContact CZ3-CG 4.5Å; W262-F284 AromaticContact CZ3-CZ 3.76Å; W262-F284 HydrophobicContact CZ3-CZ 3.76Å; W262-V287 HydrophobicContact CD2-CG1 3.98Å; W262-V287 HydrophobicContact CG-CG1 4.23Å; W262-V287 HydrophobicContact CZ2-CG1 4.08Å; W262-T289 HydrophobicContact CB-CG2 4.29Å; W262-T289 HydrophobicContact CD2-CG2 3.72Å; W262-T289 HydrophobicContact CE3-CG2 3.19Å; W262-T289 HydrophobicContact CG-CG2 4.26Å; W262-T289 HydrophobicContact CZ3-CG2 3.85Å; W262-T289 CarbonylContact O-C 3.56Å; W262-T289 WeakPolarHBondContact O-CA 3.43Å; W262-G290 PolarHBondContact O-N 2.89Å |
| 263 | I | 61.3 | Low | 63.5 | Low | 22 Ų | 22 | 58 Ų | 58 | 11% | 0.113 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 116.5 | 159 | -58.2 | 176.6 | 0 | 0 | 0 | 105.2 | M158 F246 I248 P265 G290 F292 | M158-I263 HydrophobicContact CE-CD1 3.9Å; M158-I263 HydrophobicContact CE-CG2 4.36Å; M158-I263 HydrophobicContact SD-CD1 4.31Å; M158-I263 HydrophobicContact SD-CG2 4.32Å; F246-I263 HydrophobicContact CB-CB 4.21Å; F246-I263 WeakPolarHBondContact CD2-O 3.33Å; I248-I263 HydrophobicContact CD1-CD1 3.72Å; I263-P265 VanDerWaalsContact O-CD 3.28Å; I263-P265 WeakPolarHBondContact O-CD 3.35Å; I263-G290 WeakPolarHBondContact CA-O 3.3Å; I263-F292 HydrophobicContact CG2-CD2 3.98Å; I263-F292 HydrophobicContact CG2-CE2 3.45Å; I263-F292 VanDerWaalsContact CG2-CE2 3.45Å; I263-F292 HydrophobicContact CG2-CZ 4.22Å |
| 264 | L | 60 | Low | 63.8 | Low | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 105.4 | -176.2 | -78.5 | 162.1 | 0 | 0 | 0 | 110.5 | F240 L242 H244 T266 L268 G290 F291 F292 | F240-L264 HydrophobicContact CE2-CD1 4.23Å; L242-L264 HydrophobicContact CD1-CD1 4.46Å; L242-L264 HydrophobicContact CD1-CD2 3.57Å; H244-L264 WeakPolarHBondContact O-CD2 3.28Å; L264-T266 PolarHBondContact O-N 2.99Å; L264-L268 HydrophobicContact CD1-CD1 3.87Å; L264-L268 HydrophobicContact CD1-CD2 4.06Å; L264-L268 HydrophobicContact CD1-CG 4.15Å; L264-G290 PolarHBondContact N-O 2.73Å; L264-G290 VanDerWaalsContact N-O 3.13Å; L264-F291 HydrophobicContact CB-CD1 4.47Å; L264-F291 HydrophobicContact CD1-CD1 3.83Å; L264-F291 HydrophobicContact CD1-CE1 3.86Å; L264-F292 VanDerWaalsContact O-CD2 3.28Å; L264-F292 WeakPolarHBondContact O-CD2 3.38Å; L264-F292 PolarHBondContact O-N 3.4Å |
| 265 | P | 53.6 | Low | 64.1 | Low | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.013 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -63.3 | -32.1 | -177.7 | 28.1 | -35.5 | 0 | 0 | 0 | 112.6 | T151 I155 H244 F246 I263 I267 F292 | T151-P265 HydrophobicContact CG2-CB 3.57Å; I155-P265 HydrophobicContact CD1-CB 3.94Å; H244-P265 HydrophobicContact CB-CG 3.71Å; H244-P265 WeakPolarHBondContact ND1-CG 3.3Å; F246-P265 HydrophobicContact CE2-CB 4.48Å; F246-P265 HydrophobicContact CE2-CG 3.97Å; I263-P265 VanDerWaalsContact O-CD 3.28Å; I263-P265 WeakPolarHBondContact O-CD 3.35Å; P265-I267 PolarHBondContact O-N 3.14Å; P265-F292 VanDerWaalsContact CA-CD2 3.43Å; P265-F292 HydrophobicContact CB-CD2 4.48Å |
| 266 | T | 58 | Low | 64.6 | Low | 27 Ų | 27 | 36.2 Ų | 36.2 | 17% | 0.166 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -80.4 | 121.2 | 174 | 59 | 0 | 0 | 0 | 0 | 109 | S243 L264 L268 | S243-T266 WeakPolarHBondContact OG-CG2 3.48Å; S243-T266 PolarHBondContact OG-OG1 3.44Å; L264-T266 PolarHBondContact O-N 2.99Å; T266-L268 PolarHBondContact O-N 3.03Å |
| 267 | I | 58.7 | Low | 65 | Low | 15 Ų | 15 | 39.7 Ų | 39.7 | 8% | 0.077 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -48.9 | 135 | 174.1 | -55.4 | 165.8 | 0 | 0 | 0 | 108.1 | R122 P146 P265 F292 Q294 E329 | R122-I267 PolarHBondContact NH1-O 3.47Å; R122-I267 VanDerWaalsContact NH2-C 3.28Å; R122-I267 PolarHBondContact NH2-O 3.3Å; P146-I267 HydrophobicContact CG-CD1 3.89Å; P146-I267 HydrophobicContact CG-CG1 4.48Å; P265-I267 PolarHBondContact O-N 3.14Å; I267-F292 WeakPolarHBondContact CA-O 3.46Å; I267-Q294 HydrophobicContact CD1-CG 3.74Å; I267-E329 HydrophobicContact CG2-CG 4.39Å; I267-E329 VanDerWaalsContact CG2-OE2 3.22Å; I267-E329 WeakPolarHBondContact CG2-OE2 3.32Å |
| 268 | L | 61.7 | Low | 65.1 | Low | 12 Ų | 12 | 34.8 Ų | 34.8 | 6% | 0.063 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -81.7 | 147.3 | 178 | -75 | 176 | 0 | 0 | 0 | 111.1 | R122 F240 L264 T266 I270 L275 F291 | R122-L268 PolarHBondContact NH2-O 3.21Å; R122-L268 VanDerWaalsContact NH2-O 3.11Å; F240-L268 HydrophobicContact CD2-CD2 3.76Å; F240-L268 HydrophobicContact CE2-CD1 4.43Å; F240-L268 HydrophobicContact CE2-CD2 3.78Å; L264-L268 HydrophobicContact CD1-CD1 3.87Å; L264-L268 HydrophobicContact CD1-CD2 4.06Å; L264-L268 HydrophobicContact CD1-CG 4.15Å; T266-L268 PolarHBondContact O-N 3.03Å; L268-I270 VanDerWaalsContact C-N 3.26Å; L268-I270 HydrophobicContact CB-CD1 4.16Å; L268-I270 HydrophobicContact CB-CG1 4.15Å; L268-I270 HydrophobicContact CD1-CD1 3.99Å; L268-I270 HydrophobicContact CD2-CD1 4.34Å; L268-I270 HydrophobicContact CG-CD1 4.42Å; L268-I270 PolarHBondContact O-N 2.82Å; L268-L275 HydrophobicContact CD1-CD1 3.74Å; L268-F291 HydrophobicContact CD1-CD1 3.24Å; L268-F291 HydrophobicContact CD1-CE1 3.48Å; L268-F291 VanDerWaalsContact CD1-CE1 3.48Å; L268-F291 HydrophobicContact CD1-CG 4.17Å; L268-F291 HydrophobicContact CG-CD1 4.26Å |
| 269 | T | 62.7 | Low | 65 | Low | 15 Ų | 15 | 30.3 Ų | 30.3 | 9% | 0.092 | 15% | 0.154 | C | C | . | . | trans | -97.8 | 50.9 | 176.6 | 21.5 | 0 | 0 | 0 | 0 | 109.8 | R122 S239 R330 | R122-T269 VanDerWaalsContact NH1-CB 3.33Å; R122-T269 PolarHBondContact NH1-OG1 3.37Å; S239-T269 WeakPolarHBondContact CB-O 3.48Å; S239-T269 PolarHBondContact O-OG1 2.99Å; S239-T269 VanDerWaalsContact O-OG1 3.1Å; T269-R330 HydrophobicContact CG2-CG 4.35Å; T269-R330 VanDerWaalsContact CG2-NE 3.33Å | ||
| 270 | I | 67.5 | Low | 65 | Low | 16 Ų | 16 | 31.7 Ų | 31.7 | 8% | 0.082 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -120.8 | 146.4 | -175.3 | -51.8 | 174.3 | 0 | 0 | 0 | 107.8 | F240 L268 E274 | F240-I270 HydrophobicContact CB-CD1 4.46Å; F240-I270 HydrophobicContact CD2-CD1 3.95Å; L268-I270 VanDerWaalsContact C-N 3.26Å; L268-I270 HydrophobicContact CB-CD1 4.16Å; L268-I270 HydrophobicContact CB-CG1 4.15Å; L268-I270 HydrophobicContact CD1-CD1 3.99Å; L268-I270 HydrophobicContact CD2-CD1 4.34Å; L268-I270 HydrophobicContact CG-CD1 4.42Å; L268-I270 PolarHBondContact O-N 2.82Å; I270-E274 HydrophobicContact CG2-CB 3.43Å; I270-E274 VanDerWaalsContact CG2-CB 3.43Å; I270-E274 HydrophobicContact CG2-CG 3.54Å |
| 271 | T | 73.9 | Confident | 64.9 | Low | 17 Ų | 17 | 33 Ų | 33 | 10% | 0.104 | 18% | 0.177 | C | C | . | . | trans | -67.4 | 145.5 | 173.9 | 68.9 | 0 | 0 | 0 | 0 | 109.8 | N273 E274 L275 N325 N326 T328 | T271-N273 PolarHBondContact O-N 3.24Å; T271-N273 VanDerWaalsContact O-N 3.13Å; T271-E274 PolarHBondContact O-N 3.36Å; T271-E274 WeakPolarHBondContact OG1-CB 3.41Å; T271-E274 PolarHBondContact OG1-N 2.78Å; T271-L275 PolarHBondContact O-N 3.31Å; T271-N325 WeakPolarHBondContact CB-O 3.36Å; T271-N325 PolarHBondContact OG1-O 2.96Å; T271-N326 VanDerWaalsContact CG2-C 3.48Å; T271-N326 WeakPolarHBondContact CG2-O 3.2Å; T271-T328 HydrophobicContact CG2-CG2 4.2Å | ||
| 272 | P | 74.6 | Confident | 64.1 | Low | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -51.7 | -37 | 178.8 | -28.2 | 33.8 | 0 | 0 | 0 | 113.5 | E274 L275 I276 T324 I327 | P272-E274 PolarHBondContact O-N 3.34Å; P272-L275 PolarHBondContact O-N 3.01Å; P272-I276 WeakPolarHBondContact O-CB 3.25Å; P272-I276 WeakPolarHBondContact O-CG1 3.36Å; P272-I276 PolarHBondContact O-N 3.5Å; P272-T324 VanDerWaalsContact CD-O 3.25Å; P272-T324 WeakPolarHBondContact CD-O 3.22Å; P272-T324 WeakPolarHBondContact CG-O 3.38Å; P272-I327 WeakPolarHBondContact CD-O 3.23Å |
| 273 | N | 74 | Confident | 63.5 | Low | 71 Ų | 71 | 44.6 Ų | 44.6 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 175 | -96.5 | -3.3 | 0 | 0 | 0 | 112.9 | T271 L275 I276 R277 N325 | T271-N273 PolarHBondContact O-N 3.24Å; T271-N273 VanDerWaalsContact O-N 3.13Å; N273-L275 VanDerWaalsContact C-N 3.35Å; N273-I276 PolarHBondContact O-N 3.22Å; N273-R277 WeakPolarHBondContact O-CB 3.28Å; N273-R277 PolarHBondContact O-N 2.85Å; N273-N325 HydrophobicContact CB-CB 4.29Å; N273-N325 WeakPolarHBondContact CB-O 3.49Å; N273-N325 VanDerWaalsContact CG-CB 3.46Å; N273-N325 PolarHBondContact N-O 2.79Å; N273-N325 WeakPolarHBondContact ND2-CB 3.28Å; N273-N325 WeakPolarHBondContact OD1-CB 3.25Å; N273-N325 PolarHBondContact OD1-ND2 2.7Å |
| 274 | E | 73.4 | Confident | 63 | Low | 44 Ų | 44 | 44.6 Ų | 44.6 | 21% | 0.206 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -76.1 | -30.3 | -177.2 | -174.1 | 163.3 | -137.1 | 0 | 0 | 110.8 | I270 T271 P272 R277 V278 | I270-E274 HydrophobicContact CG2-CB 3.43Å; I270-E274 VanDerWaalsContact CG2-CB 3.43Å; I270-E274 HydrophobicContact CG2-CG 3.54Å; T271-E274 PolarHBondContact O-N 3.36Å; T271-E274 WeakPolarHBondContact OG1-CB 3.41Å; T271-E274 PolarHBondContact OG1-N 2.78Å; P272-E274 PolarHBondContact O-N 3.34Å; E274-R277 PolarHBondContact O-N 2.91Å; E274-R277 IonicContact OE1-CZ 2.85Å; E274-R277 IonicContact OE1-NH1 3.23Å; E274-R277 IonicContact OE1-NH2 2.91Å; E274-R277 PolarHBondContact OE1-NH2 2.98Å; E274-V278 WeakPolarHBondContact O-CB 3.46Å; E274-V278 WeakPolarHBondContact O-CG2 3.38Å; E274-V278 PolarHBondContact O-N 2.66Å |
| 275 | L | 70.9 | Confident | 62.4 | Low | 11 Ų | 11 | 52.9 Ų | 52.9 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -47.4 | 168.3 | -172.4 | 67.3 | 0 | 0 | 0 | 111.9 | L268 T271 P272 N273 R277 V278 A279 F291 L298 | L268-L275 HydrophobicContact CD1-CD1 3.74Å; T271-L275 PolarHBondContact O-N 3.31Å; P272-L275 PolarHBondContact O-N 3.01Å; N273-L275 VanDerWaalsContact C-N 3.35Å; L275-R277 VanDerWaalsContact C-N 3.3Å; L275-R277 PolarHBondContact O-N 3.03Å; L275-V278 PolarHBondContact O-N 3.18Å; L275-A279 WeakPolarHBondContact O-CB 3.4Å; L275-A279 PolarHBondContact O-N 2.96Å; L275-F291 HydrophobicContact CD1-CD1 3.91Å; L275-F291 HydrophobicContact CD1-CD2 3.73Å; L275-F291 HydrophobicContact CD1-CE1 3.83Å; L275-F291 HydrophobicContact CD1-CE2 3.66Å; L275-F291 HydrophobicContact CD1-CG 3.85Å; L275-F291 HydrophobicContact CD1-CZ 3.7Å; L275-F291 HydrophobicContact CD2-CD2 4.15Å; L275-F291 HydrophobicContact CD2-CG 4.46Å; L275-F291 HydrophobicContact CG-CD2 4.15Å; L275-F291 HydrophobicContact CG-CE2 4.17Å; L275-L298 HydrophobicContact CD2-CD2 3.94Å |
| 276 | I | 71.1 | Confident | 62.4 | Low | 53 Ų | 53 | 60.8 Ų | 60.8 | 27% | 0.272 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 174.9 | -69.2 | 164.9 | 0 | 0 | 0 | 109.4 | P272 N273 V278 A279 T280 | P272-I276 WeakPolarHBondContact O-CB 3.25Å; P272-I276 WeakPolarHBondContact O-CG1 3.36Å; P272-I276 PolarHBondContact O-N 3.5Å; N273-I276 PolarHBondContact O-N 3.22Å; I276-V278 PolarHBondContact O-N 2.83Å; I276-A279 PolarHBondContact O-N 3.36Å; I276-T280 HydrophobicContact CG2-CG2 3.82Å; I276-T280 VanDerWaalsContact O-CB 3.25Å; I276-T280 WeakPolarHBondContact O-CB 3.49Å; I276-T280 VanDerWaalsContact O-CG2 3.26Å; I276-T280 WeakPolarHBondContact O-CG2 3.44Å; I276-T280 PolarHBondContact O-N 3.09Å; I276-T280 PolarHBondContact O-OG1 3.14Å |
| 277 | R | 68.6 | Low | 62.2 | Low | 138 Ų | 138 | 60.6 Ų | 60.6 | 52% | 0.521 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.4 | -49 | 175.6 | -169.9 | -176.9 | 77.3 | -155.2 | -5.1 | 110.7 | N273 E274 L275 A279 T280 T281 | N273-R277 WeakPolarHBondContact O-CB 3.28Å; N273-R277 PolarHBondContact O-N 2.85Å; E274-R277 PolarHBondContact O-N 2.91Å; E274-R277 IonicContact OE1-CZ 2.85Å; E274-R277 IonicContact OE1-NH1 3.23Å; E274-R277 IonicContact OE1-NH2 2.91Å; E274-R277 PolarHBondContact OE1-NH2 2.98Å; L275-R277 VanDerWaalsContact C-N 3.3Å; L275-R277 PolarHBondContact O-N 3.03Å; R277-A279 VanDerWaalsContact C-N 3.33Å; R277-A279 PolarHBondContact O-N 2.95Å; R277-T280 PolarHBondContact O-N 3.18Å; R277-T281 HydrophobicContact CG-CG2 4.3Å; R277-T281 WeakPolarHBondContact O-CB 3.19Å; R277-T281 WeakPolarHBondContact O-CG2 3.45Å; R277-T281 PolarHBondContact O-N 3.42Å; R277-T281 PolarHBondContact O-OG1 3.16Å |
| 278 | V | 64.5 | Low | 62.3 | Low | 21 Ų | 21 | 62.1 Ų | 62.1 | 13% | 0.127 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.1 | -43 | 177.6 | 170.1 | 0 | 0 | 0 | 0 | 111 | M233 E274 L275 I276 T281 F284 | M233-V278 HydrophobicContact CE-CG1 4.26Å; M233-V278 HydrophobicContact SD-CG1 4.11Å; M233-V278 HydrophobicContact SD-CG2 4.17Å; E274-V278 WeakPolarHBondContact O-CB 3.46Å; E274-V278 WeakPolarHBondContact O-CG2 3.38Å; E274-V278 PolarHBondContact O-N 2.66Å; L275-V278 PolarHBondContact O-N 3.18Å; I276-V278 PolarHBondContact O-N 2.83Å; V278-T281 PolarHBondContact O-OG1 2.82Å; V278-F284 WeakPolarHBondContact O-CD2 3.32Å; V278-F284 VanDerWaalsContact O-CE2 3.29Å; V278-F284 WeakPolarHBondContact O-CE2 3.49Å |
| 279 | A | 62.9 | Low | 62.3 | Low | 45 Ų | 45 | 63.3 Ų | 63.3 | 37% | 0.372 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.2 | -33.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | L275 I276 R277 | L275-A279 WeakPolarHBondContact O-CB 3.4Å; L275-A279 PolarHBondContact O-N 2.96Å; I276-A279 PolarHBondContact O-N 3.36Å; R277-A279 VanDerWaalsContact C-N 3.33Å; R277-A279 PolarHBondContact O-N 2.95Å |
| 280 | T | 61 | Low | 62.4 | Low | 83 Ų | 83 | 63.8 Ų | 63.8 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -98.5 | -17.5 | -172.8 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | I276 R277 N282 | I276-T280 HydrophobicContact CG2-CG2 3.82Å; I276-T280 VanDerWaalsContact O-CB 3.25Å; I276-T280 WeakPolarHBondContact O-CB 3.49Å; I276-T280 VanDerWaalsContact O-CG2 3.26Å; I276-T280 WeakPolarHBondContact O-CG2 3.44Å; I276-T280 PolarHBondContact O-N 3.09Å; I276-T280 PolarHBondContact O-OG1 3.14Å; R277-T280 PolarHBondContact O-N 3.18Å; T280-N282 VanDerWaalsContact C-N 3.29Å; T280-N282 PolarHBondContact O-N 3.04Å; T280-N282 PolarHBondContact O-OD1 3.35Å |
| 281 | T | 59.6 | Low | 62.6 | Low | 71 Ų | 71 | 65.6 Ų | 65.6 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -57.7 | 100.2 | 166.4 | 35.1 | 0 | 0 | 0 | 0 | 107.6 | R277 V278 Q283 | R277-T281 HydrophobicContact CG-CG2 4.3Å; R277-T281 WeakPolarHBondContact O-CB 3.19Å; R277-T281 WeakPolarHBondContact O-CG2 3.45Å; R277-T281 PolarHBondContact O-N 3.42Å; R277-T281 PolarHBondContact O-OG1 3.16Å; V278-T281 PolarHBondContact O-OG1 2.82Å; T281-Q283 PolarHBondContact O-N 3.16Å |
| 282 | N | 46 | Very low | 62.4 | Low | 134 Ų | 134 | 66.8 Ų | 66.8 | 72% | 0.717 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -49.9 | 14.1 | -167.1 | -76 | -31.3 | 0 | 0 | 0 | 117.8 | T280 F284 | T280-N282 VanDerWaalsContact C-N 3.29Å; T280-N282 PolarHBondContact O-N 3.04Å; T280-N282 PolarHBondContact O-OD1 3.35Å; N282-F284 VanDerWaalsContact C-N 3.34Å |
| 283 | Q | 49.2 | Very low | 62.3 | Low | 136 Ų | 136 | 69.4 Ų | 69.4 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -87.7 | 0.2 | -179.5 | -60.3 | -146.1 | -14.5 | 0 | 0 | 114.4 | R229 T281 | R229-Q283 PolarHBondContact NH1-O 3.21Å; T281-Q283 PolarHBondContact O-N 3.16Å |
| 284 | F | 51.2 | Low | 62.1 | Low | 23 Ų | 23 | 69.2 Ų | 69.2 | 10% | 0.101 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -107 | 18.4 | 177 | -58.6 | -54.5 | 0 | 0 | 0 | 114 | M233 W262 V278 N282 Q286 V287 | M233-F284 HydrophobicContact CE-CZ 4.26Å; W262-F284 AromaticContact CH2-CD1 3.49Å; W262-F284 HydrophobicContact CH2-CD1 3.49Å; W262-F284 VanDerWaalsContact CH2-CD1 3.49Å; W262-F284 AromaticContact CH2-CE1 3.02Å; W262-F284 HydrophobicContact CH2-CE1 3.02Å; W262-F284 HydrophobicContact CH2-CE2 4.3Å; W262-F284 HydrophobicContact CH2-CG 4.35Å; W262-F284 AromaticContact CH2-CZ 3.47Å; W262-F284 HydrophobicContact CH2-CZ 3.47Å; W262-F284 VanDerWaalsContact CH2-CZ 3.47Å; W262-F284 AromaticContact CZ2-CD1 3.94Å; W262-F284 HydrophobicContact CZ2-CD1 3.94Å; W262-F284 AromaticContact CZ2-CE1 3.78Å; W262-F284 HydrophobicContact CZ2-CE1 3.78Å; W262-F284 HydrophobicContact CZ3-CD1 4.05Å; W262-F284 AromaticContact CZ3-CE1 3.72Å; W262-F284 HydrophobicContact CZ3-CE1 3.72Å; W262-F284 HydrophobicContact CZ3-CE2 4.2Å; W262-F284 HydrophobicContact CZ3-CG 4.5Å; W262-F284 AromaticContact CZ3-CZ 3.76Å; W262-F284 HydrophobicContact CZ3-CZ 3.76Å; V278-F284 WeakPolarHBondContact O-CD2 3.32Å; V278-F284 VanDerWaalsContact O-CE2 3.29Å; V278-F284 WeakPolarHBondContact O-CE2 3.49Å; N282-F284 VanDerWaalsContact C-N 3.34Å; F284-Q286 PolarHBondContact O-N 3.22Å; F284-V287 HydrophobicContact CB-CB 4.32Å; F284-V287 CarbonylContact O-C 3.32Å; F284-V287 WeakPolarHBondContact O-CA 3.33Å; F284-V287 PolarHBondContact O-N 3.43Å; F284-V287 VanDerWaalsContact O-O 3.05Å |
| 285 | E | 48 | Very low | 61.9 | Low | 174 Ų | 174 | 67.7 Ų | 67.7 | 81% | 0.813 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -26.1 | -175.5 | -81.8 | -174.3 | 168.9 | 0 | 0 | 115.2 | ||
| 286 | Q | 52.6 | Low | 61.7 | Low | 169 Ų | 169 | 70.9 Ų | 70.9 | 79% | 0.79 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -3.5 | 177.3 | -63.1 | -172.8 | 0.2 | 0 | 0 | 114.3 | F284 | F284-Q286 PolarHBondContact O-N 3.22Š|
| 287 | V | 54.6 | Low | 61.7 | Low | 22 Ų | 22 | 68.4 Ų | 68.4 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | trans | -126.3 | 104 | -169.4 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | L226 Y261 W262 F284 T289 | L226-V287 HydrophobicContact CD1-CG2 4.47Å; Y261-V287 HydrophobicContact CD2-CB 3.96Å; Y261-V287 HydrophobicContact CD2-CG1 3.78Å; Y261-V287 HydrophobicContact CD2-CG2 3.53Å; Y261-V287 HydrophobicContact CE2-CG2 3.89Å; Y261-V287 HydrophobicContact CG-CG1 3.97Å; Y261-V287 HydrophobicContact CG-CG2 4.07Å; W262-V287 HydrophobicContact CD2-CG1 3.98Å; W262-V287 HydrophobicContact CG-CG1 4.23Å; W262-V287 HydrophobicContact CZ2-CG1 4.08Å; F284-V287 HydrophobicContact CB-CB 4.32Å; F284-V287 CarbonylContact O-C 3.32Å; F284-V287 WeakPolarHBondContact O-CA 3.33Å; F284-V287 PolarHBondContact O-N 3.43Å; F284-V287 VanDerWaalsContact O-O 3.05Å; V287-T289 HydrophobicContact CG1-CG2 3.94Å; V287-T289 PolarHBondContact O-N 2.88Å | ||
| 288 | A | 59.6 | Low | 61.7 | Low | 47 Ų | 47 | 64.9 Ų | 64.9 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 125.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F260 | F260-A288 HydrophobicContact CD1-CB 3.26Å; F260-A288 HydrophobicContact CE1-CB 3.51Å; F260-A288 HydrophobicContact CG-CB 4.26Å |
| 289 | T | 62.3 | Low | 62 | Low | 38 Ų | 38 | 67.8 Ų | 67.8 | 23% | 0.233 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.4 | -176.6 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | W262 V287 | W262-T289 HydrophobicContact CB-CG2 4.29Å; W262-T289 HydrophobicContact CD2-CG2 3.72Å; W262-T289 HydrophobicContact CE3-CG2 3.19Å; W262-T289 HydrophobicContact CG-CG2 4.26Å; W262-T289 HydrophobicContact CZ3-CG2 3.85Å; W262-T289 CarbonylContact O-C 3.56Å; W262-T289 WeakPolarHBondContact O-CA 3.43Å; V287-T289 HydrophobicContact CG1-CG2 3.94Å; V287-T289 PolarHBondContact O-N 2.88Å |
| 290 | G | 66 | Low | 62.4 | Low | 24 Ų | 24 | 72.6 Ų | 72.6 | 25% | 0.247 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 152.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | W262 I263 L264 | W262-G290 PolarHBondContact O-N 2.89Å; I263-G290 WeakPolarHBondContact CA-O 3.3Å; L264-G290 PolarHBondContact N-O 2.73Å; L264-G290 VanDerWaalsContact N-O 3.13Å |
| 291 | F | 71.3 | Confident | 63 | Low | 54 Ų | 54 | 76.1 Ų | 76.1 | 24% | 0.237 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 136.6 | -177.9 | -49.3 | -79.9 | 0 | 0 | 0 | 109.5 | L264 L268 L275 | L264-F291 HydrophobicContact CB-CD1 4.47Å; L264-F291 HydrophobicContact CD1-CD1 3.83Å; L264-F291 HydrophobicContact CD1-CE1 3.86Å; L268-F291 HydrophobicContact CD1-CD1 3.24Å; L268-F291 HydrophobicContact CD1-CE1 3.48Å; L268-F291 VanDerWaalsContact CD1-CE1 3.48Å; L268-F291 HydrophobicContact CD1-CG 4.17Å; L268-F291 HydrophobicContact CG-CD1 4.26Å; L275-F291 HydrophobicContact CD1-CD1 3.91Å; L275-F291 HydrophobicContact CD1-CD2 3.73Å; L275-F291 HydrophobicContact CD1-CE1 3.83Å; L275-F291 HydrophobicContact CD1-CE2 3.66Å; L275-F291 HydrophobicContact CD1-CG 3.85Å; L275-F291 HydrophobicContact CD1-CZ 3.7Å; L275-F291 HydrophobicContact CD2-CD2 4.15Å; L275-F291 HydrophobicContact CD2-CG 4.46Å; L275-F291 HydrophobicContact CG-CD2 4.15Å; L275-F291 HydrophobicContact CG-CE2 4.17Å |
| 292 | F | 69.4 | Low | 63.6 | Low | 42 Ų | 42 | 74.9 Ų | 74.9 | 18% | 0.184 | 38% | 0.381 | C | S | . | . | trans | -81.3 | 133.9 | 171.1 | -77.1 | -82.2 | 0 | 0 | 0 | 110.7 | A154 I155 M158 I263 L264 P265 I267 | A154-F292 HydrophobicContact CB-CE1 3.57Å; A154-F292 HydrophobicContact CB-CZ 3.92Å; I155-F292 HydrophobicContact CG1-CE2 4.16Å; I155-F292 HydrophobicContact CG1-CZ 4.19Å; M158-F292 HydrophobicContact SD-CE1 4.21Å; M158-F292 HydrophobicContact SD-CE2 4.45Å; M158-F292 HydrophobicContact SD-CZ 3.7Å; I263-F292 HydrophobicContact CG2-CD2 3.98Å; I263-F292 HydrophobicContact CG2-CE2 3.45Å; I263-F292 VanDerWaalsContact CG2-CE2 3.45Å; I263-F292 HydrophobicContact CG2-CZ 4.22Å; L264-F292 VanDerWaalsContact O-CD2 3.28Å; L264-F292 WeakPolarHBondContact O-CD2 3.38Å; L264-F292 PolarHBondContact O-N 3.4Å; P265-F292 VanDerWaalsContact CA-CD2 3.43Å; P265-F292 HydrophobicContact CB-CD2 4.48Å; I267-F292 WeakPolarHBondContact CA-O 3.46Å | ||
| 293 | R | 72.3 | Confident | 64.9 | Low | 57 Ų | 57 | 68.7 Ų | 68.7 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | trans | -137.5 | 141.2 | 175.7 | -61.9 | -171.5 | 70.5 | -161.3 | -5.7 | 109.6 | I297 L298 E329 | R293-I297 PolarHBondContact NH1-O 3.12Å; R293-L298 VanDerWaalsContact NH1-CD2 3.28Å; R293-E329 WeakPolarHBondContact CA-OE1 3.45Å; R293-E329 IonicContact NE-OE2 3.32Å; R293-E329 PolarHBondContact NE-OE2 2.86Å | ||
| 294 | Q | 69.7 | Low | 65.7 | Low | 68 Ų | 68 | 68.8 Ų | 68.8 | 32% | 0.318 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -71.6 | -36.5 | 165 | -73.6 | 178.6 | 24.8 | 0 | 0 | 111.6 | I267 P296 E329 E333 | I267-Q294 HydrophobicContact CD1-CG 3.74Å; Q294-P296 WeakPolarHBondContact O-CD 3.47Å; Q294-E329 WeakPolarHBondContact CA-OE1 3.38Å; Q294-E329 WeakPolarHBondContact CB-OE1 3.45Å; Q294-E329 PolarHBondContact N-OE1 3.39Å; Q294-E333 VanDerWaalsContact CD-OE1 3.28Å; Q294-E333 PolarHBondContact OE1-OE1 3.27Å |
| 295 | F | 69.6 | Low | 66.5 | Low | 11 Ų | 11 | 71.9 Ų | 71.9 | 5% | 0.048 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -97.7 | 112.5 | -179.9 | -70.5 | -101.7 | 0 | 0 | 0 | 110.9 | I297 M312 M316 E329 L332 E333 | F295-I297 PolarHBondContact O-N 2.75Å; F295-M312 HydrophobicContact CB-CE 4.15Å; F295-M312 HydrophobicContact CD1-CE 2.99Å; F295-M312 HydrophobicContact CD2-CE 4.5Å; F295-M312 HydrophobicContact CE1-CE 3.34Å; F295-M312 HydrophobicContact CG-CE 3.66Å; F295-M312 HydrophobicContact CZ-CE 4.21Å; F295-M316 HydrophobicContact CD1-CE 4.4Å; F295-E329 HydrophobicContact CD2-CG 3.85Å; F295-E329 PolarHBondContact N-OE1 3.15Å; F295-L332 HydrophobicContact CB-CD2 3.92Å; F295-L332 HydrophobicContact CD1-CD2 3.25Å; F295-L332 HydrophobicContact CD1-CG 3.88Å; F295-L332 HydrophobicContact CD2-CD2 3.87Å; F295-L332 HydrophobicContact CD2-CG 4.43Å; F295-L332 HydrophobicContact CE1-CD2 3.69Å; F295-L332 HydrophobicContact CE1-CG 3.75Å; F295-L332 HydrophobicContact CE2-CD2 4.26Å; F295-L332 HydrophobicContact CE2-CG 4.34Å; F295-L332 HydrophobicContact CG-CD2 3.38Å; F295-L332 HydrophobicContact CG-CG 4.25Å; F295-L332 HydrophobicContact CZ-CD2 4.19Å; F295-L332 HydrophobicContact CZ-CG 4.01Å; F295-E333 HydrophobicContact CD2-CG 4.38Å; F295-E333 HydrophobicContact CE2-CB 4.48Å; F295-E333 HydrophobicContact CE2-CG 3.45Å; F295-E333 VanDerWaalsContact CE2-CG 3.45Å; F295-E333 HydrophobicContact CZ-CG 4.16Å |
| 296 | P | 67.2 | Low | 67 | Low | 78 Ų | 78 | 70.4 Ų | 70.4 | 51% | 0.506 | 37% | 0.367 | S | S | . | . | trans | -78 | 23.8 | -173.5 | 33.9 | -37.6 | 0 | 0 | 0 | 113.9 | Q294 I308 | Q294-P296 WeakPolarHBondContact O-CD 3.47Å; P296-I308 HydrophobicContact CG-CD1 4.3Å; P296-I308 HydrophobicContact CG-CG1 4.22Å | ||
| 297 | I | 69.4 | Low | 67.7 | Low | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | trans | -113.1 | 108.8 | -173.4 | -54.9 | 178.9 | 0 | 0 | 0 | 108.6 | R293 F295 D302 C303 I308 M316 | R293-I297 PolarHBondContact NH1-O 3.12Å; F295-I297 PolarHBondContact O-N 2.75Å; I297-D302 HydrophobicContact CB-CB 4.49Å; I297-D302 HydrophobicContact CG2-CB 4.32Å; I297-C303 HydrophobicContact CG2-CB 4.46Å; I297-I308 HydrophobicContact CD1-CD1 3.85Å; I297-I308 HydrophobicContact CG1-CD1 3.75Å; I297-M316 HydrophobicContact CB-CE 4.19Å; I297-M316 HydrophobicContact CD1-CB 3.77Å; I297-M316 HydrophobicContact CD1-CE 3.68Å; I297-M316 HydrophobicContact CD1-CG 3.53Å; I297-M316 HydrophobicContact CD1-SD 4.47Å; I297-M316 HydrophobicContact CG1-CE 4.41Å; I297-M316 HydrophobicContact CG2-CE 4.44Å; I297-M316 HydrophobicContact CG2-CG 4.34Å | ||
| 298 | L | 70.1 | Confident | 68.2 | Low | 64 Ų | 64 | 69.6 Ų | 69.6 | 34% | 0.335 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -106.7 | -46.3 | 174.1 | -78 | 151.6 | 0 | 0 | 0 | 110.7 | L275 R293 D302 | L275-L298 HydrophobicContact CD2-CD2 3.94Å; R293-L298 VanDerWaalsContact NH1-CD2 3.28Å; L298-D302 WeakPolarHBondContact CA-OD2 3.28Å; L298-D302 WeakPolarHBondContact CB-OD2 3.46Å; L298-D302 PolarHBondContact N-OD2 2.99Å |
| 299 | N | 69.9 | Low | 68.5 | Low | 82 Ų | 82 | 69.7 Ų | 69.7 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -117.2 | 164.7 | -177 | -63.6 | -18.8 | 0 | 0 | 0 | 110.9 | E301 D302 | N299-E301 PolarHBondContact O-N 3.07Å; N299-D302 PolarHBondContact N-OD2 2.74Å; N299-D302 WeakPolarHBondContact O-CB 3.37Å; N299-D302 PolarHBondContact O-N 2.87Å; N299-D302 VanDerWaalsContact O-N 3.08Å |
| 300 | E | 71.6 | Confident | 68.7 | Low | 146 Ų | 146 | 74.3 Ų | 74.3 | 68% | 0.682 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57.5 | -32.7 | 175.6 | -168.7 | 176.1 | 176.7 | 0 | 0 | 112.1 | D302 C303 C322 | E300-D302 VanDerWaalsContact C-N 3.35Å; E300-D302 PolarHBondContact O-N 3.05Å; E300-C303 WeakPolarHBondContact O-CB 3.03Å; E300-C303 PolarHBondContact O-N 2.68Å; E300-C322 HydrophobicContact CG-CB 4.08Å |
| 301 | E | 73.2 | Confident | 68.8 | Low | 157 Ų | 157 | 77.6 Ų | 77.6 | 73% | 0.734 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.1 | -34.8 | 176.6 | -63.9 | -177 | 178.3 | 0 | 0 | 113.2 | N299 C303 L304 | N299-E301 PolarHBondContact O-N 3.07Å; E301-C303 PolarHBondContact O-N 3.46Å; E301-L304 PolarHBondContact O-N 3.46Å; E301-L304 VanDerWaalsContact O-N 3.17Å |
| 302 | D | 73.5 | Confident | 68.7 | Low | 45 Ų | 45 | 76.9 Ų | 76.9 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.8 | -31.5 | 179.5 | -61 | -35.7 | 0 | 0 | 0 | 111.3 | I297 L298 N299 E300 L304 N305 I308 | I297-D302 HydrophobicContact CB-CB 4.49Å; I297-D302 HydrophobicContact CG2-CB 4.32Å; L298-D302 WeakPolarHBondContact CA-OD2 3.28Å; L298-D302 WeakPolarHBondContact CB-OD2 3.46Å; L298-D302 PolarHBondContact N-OD2 2.99Å; N299-D302 PolarHBondContact N-OD2 2.74Å; N299-D302 WeakPolarHBondContact O-CB 3.37Å; N299-D302 PolarHBondContact O-N 2.87Å; N299-D302 VanDerWaalsContact O-N 3.08Å; E300-D302 VanDerWaalsContact C-N 3.35Å; E300-D302 PolarHBondContact O-N 3.05Å; D302-L304 PolarHBondContact O-N 3.35Å; D302-N305 VanDerWaalsContact O-CB 3.23Å; D302-N305 WeakPolarHBondContact O-CB 3.33Å; D302-N305 PolarHBondContact O-N 3.11Å; D302-N305 VanDerWaalsContact O-N 3.1Å; D302-I308 VanDerWaalsContact O-CD1 3.28Å; D302-I308 WeakPolarHBondContact O-CD1 3.35Å |
| 303 | C | 71.6 | Confident | 68.6 | Low | 4 Ų | 4 | 78.9 Ų | 78.9 | 3% | 0.027 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.8 | -27.5 | 178.1 | -158.5 | 0 | 0 | 0 | 0 | 112.5 | I297 E300 E301 N305 C322 | I297-C303 HydrophobicContact CG2-CB 4.46Å; E300-C303 WeakPolarHBondContact O-CB 3.03Å; E300-C303 PolarHBondContact O-N 2.68Å; E301-C303 PolarHBondContact O-N 3.46Å; C303-N305 VanDerWaalsContact C-N 3.34Å; C303-C322 HydrophobicContact CB-CB 3.5Å; C303-C322 VanDerWaalsContact CB-CB 3.5Å; C303-C322 WeakPolarHBondContact CB-SG 3.24Å; C303-C322 WeakPolarHBondContact SG-CB 3.32Å; C303-C322 CovalentContact SG-SG 2.04Å; C303-C322 PolarHBondContact SG-SG 3.32Å |
| 304 | L | 67.6 | Low | 68.3 | Low | 139 Ų | 139 | 78.7 Ų | 78.7 | 73% | 0.728 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -8.7 | 178.8 | -65 | 170.6 | 0 | 0 | 0 | 112.9 | E301 D302 | E301-L304 PolarHBondContact O-N 3.46Å; E301-L304 VanDerWaalsContact O-N 3.17Å; D302-L304 PolarHBondContact O-N 3.35Å |
| 305 | N | 68 | Low | 68.4 | Low | 87 Ų | 87 | 76 Ų | 76 | 47% | 0.465 | 40% | 0.399 | S | S | . | . | trans | -71.1 | 131.3 | -174.8 | -156.2 | -13.6 | 0 | 0 | 0 | 111.5 | D302 C303 N307 | D302-N305 VanDerWaalsContact O-CB 3.23Å; D302-N305 WeakPolarHBondContact O-CB 3.33Å; D302-N305 PolarHBondContact O-N 3.11Å; D302-N305 VanDerWaalsContact O-N 3.1Å; C303-N305 VanDerWaalsContact C-N 3.34Å; N305-N307 PolarHBondContact O-N 3.21Å | ||
| 306 | L | 58.4 | Low | 68.6 | Low | 144 Ų | 144 | 75.6 Ų | 75.6 | 75% | 0.754 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12.6 | -169.9 | -83.1 | 150.2 | 0 | 0 | 0 | 114.5 | I308 | L306-I308 VanDerWaalsContact C-N 3.32Å; L306-I308 PolarHBondContact O-N 3.09Å |
| 307 | N | 66.9 | Low | 68.9 | Low | 152 Ų | 152 | 74 Ų | 74 | 81% | 0.813 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -5.5 | -176 | -70.8 | -10.3 | 0 | 0 | 0 | 114.1 | N305 | N305-N307 PolarHBondContact O-N 3.21Š|
| 308 | I | 65.4 | Low | 69.1 | Low | 21 Ų | 21 | 77.2 Ų | 77.2 | 11% | 0.108 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -83.4 | 132 | 179.5 | -57.4 | 176.6 | 0 | 0 | 0 | 109.3 | P296 I297 D302 L306 M312 R313 | P296-I308 HydrophobicContact CG-CD1 4.3Å; P296-I308 HydrophobicContact CG-CG1 4.22Å; I297-I308 HydrophobicContact CD1-CD1 3.85Å; I297-I308 HydrophobicContact CG1-CD1 3.75Å; D302-I308 VanDerWaalsContact O-CD1 3.28Å; D302-I308 WeakPolarHBondContact O-CD1 3.35Å; L306-I308 VanDerWaalsContact C-N 3.32Å; L306-I308 PolarHBondContact O-N 3.09Å; I308-M312 HydrophobicContact CG2-CB 3.96Å; I308-M312 HydrophobicContact CG2-CG 3.99Å; I308-M312 HydrophobicContact CG2-SD 3.9Å; I308-R313 HydrophobicContact CG2-CB 4.2Å |
| 309 | G | 65.6 | Low | 69.3 | Low | 50 Ų | 50 | 74.2 Ų | 74.2 | 52% | 0.515 | 39% | 0.387 | S | S | . | . | trans | -54 | 139.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N311 M312 R313 | G309-N311 VanDerWaalsContact C-N 3.32Å; G309-N311 PolarHBondContact O-N 2.9Å; G309-M312 WeakPolarHBondContact O-CB 3.1Å; G309-M312 PolarHBondContact O-N 2.85Å; G309-R313 PolarHBondContact O-N 3.44Å | ||
| 310 | E | 66.4 | Low | 69.6 | Low | 135 Ų | 135 | 70.8 Ų | 70.8 | 63% | 0.631 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -55.2 | -42.7 | -167.1 | -165.7 | 172.5 | -163.2 | 0 | 0 | 113.5 | M312 R313 L314 | E310-M312 VanDerWaalsContact C-N 3.33Å; E310-M312 PolarHBondContact O-N 3.11Å; E310-R313 PolarHBondContact O-N 2.94Å; E310-L314 HydrophobicContact CG-CD1 4.23Å; E310-L314 WeakPolarHBondContact O-CB 3.34Å; E310-L314 WeakPolarHBondContact O-CG 3.23Å; E310-L314 PolarHBondContact O-N 3.31Å |
| 311 | N | 67.2 | Low | 69.9 | Low | 92 Ų | 92 | 70.5 Ų | 70.5 | 49% | 0.492 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 177.4 | -70.2 | -11.5 | 0 | 0 | 0 | 113 | G309 L315 | G309-N311 VanDerWaalsContact C-N 3.32Å; G309-N311 PolarHBondContact O-N 2.9Å; N311-L315 WeakPolarHBondContact O-CB 3.49Å; N311-L315 PolarHBondContact O-N 3.14Å |
| 312 | M | 68.9 | Low | 69.9 | Low | 39 Ų | 39 | 64 Ų | 64 | 19% | 0.192 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -77.1 | -39.4 | -178.6 | -172.1 | -176.6 | -167 | 0 | 0 | 111 | F295 I308 G309 E310 L314 L315 M316 | F295-M312 HydrophobicContact CB-CE 4.15Å; F295-M312 HydrophobicContact CD1-CE 2.99Å; F295-M312 HydrophobicContact CD2-CE 4.5Å; F295-M312 HydrophobicContact CE1-CE 3.34Å; F295-M312 HydrophobicContact CG-CE 3.66Å; F295-M312 HydrophobicContact CZ-CE 4.21Å; I308-M312 HydrophobicContact CG2-CB 3.96Å; I308-M312 HydrophobicContact CG2-CG 3.99Å; I308-M312 HydrophobicContact CG2-SD 3.9Å; G309-M312 WeakPolarHBondContact O-CB 3.1Å; G309-M312 PolarHBondContact O-N 2.85Å; E310-M312 VanDerWaalsContact C-N 3.33Å; E310-M312 PolarHBondContact O-N 3.11Å; M312-L314 VanDerWaalsContact C-N 3.35Å; M312-L315 WeakPolarHBondContact O-CB 3.05Å; M312-L315 PolarHBondContact O-N 3.03Å; M312-M316 WeakPolarHBondContact O-CB 3.25Å; M312-M316 PolarHBondContact O-N 3.06Å |
| 313 | R | 67.8 | Low | 70 | Confident | 85 Ų | 85 | 66.4 Ų | 66.4 | 32% | 0.321 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 172.6 | -170.9 | -179.1 | 67.8 | 174.6 | -1.8 | 110.8 | I308 G309 E310 M316 S317 | I308-R313 HydrophobicContact CG2-CB 4.2Å; G309-R313 PolarHBondContact O-N 3.44Å; E310-R313 PolarHBondContact O-N 2.94Å; R313-M316 PolarHBondContact O-N 3Å; R313-S317 WeakPolarHBondContact O-CB 3.32Å; R313-S317 PolarHBondContact O-N 3.5Å; R313-S317 PolarHBondContact O-OG 3.03Å; R313-S317 VanDerWaalsContact O-OG 3.05Å |
| 314 | L | 66.8 | Low | 70.2 | Confident | 52 Ų | 52 | 66.3 Ų | 66.3 | 27% | 0.272 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 174.9 | -78.6 | 164.3 | 0 | 0 | 0 | 111.4 | F58 E310 M312 M316 S317 E318 | F58-L314 HydrophobicContact CE1-CD1 4.3Å; F58-L314 HydrophobicContact CE1-CD2 3.88Å; F58-L314 HydrophobicContact CZ-CD2 4.35Å; E310-L314 HydrophobicContact CG-CD1 4.23Å; E310-L314 WeakPolarHBondContact O-CB 3.34Å; E310-L314 WeakPolarHBondContact O-CG 3.23Å; E310-L314 PolarHBondContact O-N 3.31Å; M312-L314 VanDerWaalsContact C-N 3.35Å; L314-M316 VanDerWaalsContact C-N 3.27Å; L314-M316 PolarHBondContact O-N 3.36Å; L314-S317 PolarHBondContact O-N 2.97Å; L314-S317 PolarHBondContact O-OG 2.85Å; L314-E318 WeakPolarHBondContact O-CB 2.87Å; L314-E318 VanDerWaalsContact O-CG 3.24Å; L314-E318 WeakPolarHBondContact O-CG 3.08Å; L314-E318 PolarHBondContact O-N 3.24Å |
| 315 | L | 71.9 | Confident | 70.4 | Confident | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -51.5 | -49.6 | 175.4 | 170 | 59.1 | 0 | 0 | 0 | 111.2 | N311 M312 I319 F320 Y336 L339 | N311-L315 WeakPolarHBondContact O-CB 3.49Å; N311-L315 PolarHBondContact O-N 3.14Å; M312-L315 WeakPolarHBondContact O-CB 3.05Å; M312-L315 PolarHBondContact O-N 3.03Å; L315-I319 HydrophobicContact CD1-CB 3.96Å; L315-I319 HydrophobicContact CD1-CD1 3.29Å; L315-I319 HydrophobicContact CD1-CG1 3.61Å; L315-I319 WeakPolarHBondContact O-CB 3.27Å; L315-I319 PolarHBondContact O-N 3.45Å; L315-F320 HydrophobicContact CD1-CE2 4.15Å; L315-F320 HydrophobicContact CG-CE2 4.35Å; L315-Y336 HydrophobicContact CD2-CD2 3.53Å; L315-Y336 HydrophobicContact CD2-CE2 4.48Å; L315-Y336 HydrophobicContact CD2-CG 4.19Å; L315-L339 HydrophobicContact CD1-CD1 3.27Å; L315-L339 HydrophobicContact CD2-CD1 4.28Å; L315-L339 HydrophobicContact CG-CD1 4.35Å |
| 316 | M | 74.2 | Confident | 70.8 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.9 | -43.4 | -173.8 | -161.1 | 65.1 | 89.2 | 0 | 0 | 112.9 | F295 I297 M312 R313 L314 E318 F320 Q321 C322 T324 L332 | F295-M316 HydrophobicContact CD1-CE 4.4Å; I297-M316 HydrophobicContact CB-CE 4.19Å; I297-M316 HydrophobicContact CD1-CB 3.77Å; I297-M316 HydrophobicContact CD1-CE 3.68Å; I297-M316 HydrophobicContact CD1-CG 3.53Å; I297-M316 HydrophobicContact CD1-SD 4.47Å; I297-M316 HydrophobicContact CG1-CE 4.41Å; I297-M316 HydrophobicContact CG2-CE 4.44Å; I297-M316 HydrophobicContact CG2-CG 4.34Å; M312-M316 WeakPolarHBondContact O-CB 3.25Å; M312-M316 PolarHBondContact O-N 3.06Å; R313-M316 PolarHBondContact O-N 3Å; L314-M316 VanDerWaalsContact C-N 3.27Å; L314-M316 PolarHBondContact O-N 3.36Å; M316-E318 VanDerWaalsContact C-N 3.32Å; M316-E318 PolarHBondContact O-N 3.29Å; M316-F320 CarbonylContact O-C 3.58Å; M316-F320 PolarHBondContact O-N 3.15Å; M316-F320 HydrophobicContact SD-CB 3.71Å; M316-F320 HydrophobicContact SD-CD2 3.61Å; M316-F320 HydrophobicContact SD-CG 3.96Å; M316-Q321 PolarHBondContact O-N 3.12Å; M316-Q321 VanDerWaalsContact O-N 3.09Å; M316-C322 PolarHBondContact O-N 3.39Å; M316-T324 HydrophobicContact CE-CG2 3.35Å; M316-T324 HydrophobicContact CG-CG2 4.45Å; M316-T324 HydrophobicContact SD-CG2 3.14Å; M316-T324 WeakPolarHBondContact SD-CG2 3.34Å; M316-L332 HydrophobicContact CE-CD1 4.11Å; M316-L332 HydrophobicContact CE-CD2 3.71Å |
| 317 | S | 72.7 | Confident | 71.6 | Confident | 44 Ų | 44 | 56.9 Ų | 56.9 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.1 | -34.2 | 179.2 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | R313 L314 Q321 | R313-S317 WeakPolarHBondContact O-CB 3.32Å; R313-S317 PolarHBondContact O-N 3.5Å; R313-S317 PolarHBondContact O-OG 3.03Å; R313-S317 VanDerWaalsContact O-OG 3.05Å; L314-S317 PolarHBondContact O-N 2.97Å; L314-S317 PolarHBondContact O-OG 2.85Å; S317-Q321 VanDerWaalsContact O-CA 3.3Å; S317-Q321 WeakPolarHBondContact O-CA 3.36Å |
| 318 | E | 73.2 | Confident | 72.2 | Confident | 69 Ų | 69 | 49.9 Ų | 49.9 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -93.1 | -50.2 | -171.4 | -70 | -67.1 | 160.6 | 0 | 0 | 113.3 | Y55 L314 M316 | Y55-E318 HydrophobicContact CD1-CB 3.94Å; Y55-E318 HydrophobicContact CD1-CG 4.48Å; Y55-E318 HydrophobicContact CE1-CB 3.39Å; Y55-E318 HydrophobicContact CE1-CG 3.81Å; Y55-E318 WeakPolarHBondContact CE1-OE2 3.32Å; Y55-E318 HydrophobicContact CE2-CB 4.16Å; Y55-E318 VanDerWaalsContact CZ-OE2 3.3Å; Y55-E318 PolarHBondContact OH-O 2.88Å; Y55-E318 PolarHBondContact OH-OE2 3.47Å; L314-E318 WeakPolarHBondContact O-CB 2.87Å; L314-E318 VanDerWaalsContact O-CG 3.24Å; L314-E318 WeakPolarHBondContact O-CG 3.08Å; L314-E318 PolarHBondContact O-N 3.24Å; M316-E318 VanDerWaalsContact C-N 3.32Å; M316-E318 PolarHBondContact O-N 3.29Å |
| 319 | I | 74.3 | Confident | 72.7 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -50.2 | -177.8 | -58.4 | -159.6 | 0 | 0 | 0 | 110.4 | L48 K51 Y55 L315 L339 | L48-I319 HydrophobicContact CD2-CG2 4.27Å; K51-I319 HydrophobicContact CB-CG2 4.09Å; K51-I319 HydrophobicContact CD-CG2 4.26Å; K51-I319 VanDerWaalsContact CD-O 3.28Å; K51-I319 WeakPolarHBondContact CD-O 3.29Å; K51-I319 PolarHBondContact NZ-O 3.29Å; Y55-I319 HydrophobicContact CD2-CD1 4.13Å; Y55-I319 HydrophobicContact CD2-CG1 3.55Å; Y55-I319 HydrophobicContact CE2-CG1 4.24Å; Y55-I319 HydrophobicContact CG-CD1 4.21Å; Y55-I319 HydrophobicContact CG-CG1 3.85Å; L315-I319 HydrophobicContact CD1-CB 3.96Å; L315-I319 HydrophobicContact CD1-CD1 3.29Å; L315-I319 HydrophobicContact CD1-CG1 3.61Å; L315-I319 WeakPolarHBondContact O-CB 3.27Å; L315-I319 PolarHBondContact O-N 3.45Å; I319-L339 HydrophobicContact CD1-CD1 3.62Å; I319-L339 HydrophobicContact CD1-CD2 4.28Å |
| 320 | F | 76.9 | Confident | 73.5 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 4% | 0.044 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -94.1 | -7.2 | -173.1 | -61.7 | -67.4 | 0 | 0 | 0 | 113 | L48 L315 M316 C322 N323 T324 I327 L332 V335 | L48-F320 HydrophobicContact CD1-CE1 3.94Å; L48-F320 HydrophobicContact CD1-CZ 4.42Å; L48-F320 HydrophobicContact CD2-CD1 4.22Å; L48-F320 HydrophobicContact CD2-CE1 3.63Å; L48-F320 HydrophobicContact CD2-CZ 4.47Å; L48-F320 HydrophobicContact CG-CE1 4.47Å; L315-F320 HydrophobicContact CD1-CE2 4.15Å; L315-F320 HydrophobicContact CG-CE2 4.35Å; M316-F320 CarbonylContact O-C 3.58Å; M316-F320 PolarHBondContact O-N 3.15Å; M316-F320 HydrophobicContact SD-CB 3.71Å; M316-F320 HydrophobicContact SD-CD2 3.61Å; M316-F320 HydrophobicContact SD-CG 3.96Å; F320-C322 PolarHBondContact O-N 2.96Å; F320-N323 PolarHBondContact O-N 3.01Å; F320-T324 HydrophobicContact CB-CG2 4.37Å; F320-I327 HydrophobicContact CD1-CD1 3.47Å; F320-I327 VanDerWaalsContact CD1-CD1 3.47Å; F320-I327 HydrophobicContact CE1-CD1 3.18Å; F320-I327 HydrophobicContact CZ-CD1 4.22Å; F320-L332 HydrophobicContact CD2-CD1 3.81Å; F320-L332 HydrophobicContact CE2-CD1 3.2Å; F320-L332 HydrophobicContact CZ-CD1 3.64Å; F320-V335 HydrophobicContact CE2-CG1 4.27Å; F320-V335 HydrophobicContact CZ-CB 4.31Å; F320-V335 HydrophobicContact CZ-CG1 3.94Å; F320-V335 HydrophobicContact CZ-CG2 4.41Å |
| 321 | Q | 76.8 | Confident | 74.2 | Confident | 139 Ų | 139 | 40.6 Ų | 40.6 | 65% | 0.65 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 36.8 | -175.7 | -61.7 | 178 | -15.7 | 0 | 0 | 111.7 | M316 S317 N323 | M316-Q321 PolarHBondContact O-N 3.12Å; M316-Q321 VanDerWaalsContact O-N 3.09Å; S317-Q321 VanDerWaalsContact O-CA 3.3Å; S317-Q321 WeakPolarHBondContact O-CA 3.36Å; Q321-N323 PolarHBondContact O-N 2.89Å |
| 322 | C | 74.1 | Confident | 74.8 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 14% | 0.135 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 11.9 | -173.2 | -54.6 | 0 | 0 | 0 | 0 | 115.3 | E300 C303 M316 F320 | E300-C322 HydrophobicContact CG-CB 4.08Å; C303-C322 HydrophobicContact CB-CB 3.5Å; C303-C322 VanDerWaalsContact CB-CB 3.5Å; C303-C322 WeakPolarHBondContact CB-SG 3.24Å; C303-C322 WeakPolarHBondContact SG-CB 3.32Å; C303-C322 CovalentContact SG-SG 2.04Å; C303-C322 PolarHBondContact SG-SG 3.32Å; M316-C322 PolarHBondContact O-N 3.39Å; F320-C322 PolarHBondContact O-N 2.96Å |
| 323 | N | 76.2 | Confident | 75.3 | Confident | 96 Ų | 96 | 35 Ų | 35 | 51% | 0.513 | 18% | 0.177 | S | C | . | . | trans | -106 | 92.3 | 177 | -173.2 | -2.7 | 0 | 0 | 0 | 110.5 | F320 Q321 N325 | F320-N323 PolarHBondContact O-N 3.01Å; Q321-N323 PolarHBondContact O-N 2.89Å; N323-N325 WeakPolarHBondContact OD1-CB 3.34Å; N323-N325 VanDerWaalsContact OD1-CG 3.25Å; N323-N325 PolarHBondContact OD1-N 3.42Å; N323-N325 PolarHBondContact OD1-ND2 2.71Å | ||
| 324 | T | 74.2 | Confident | 76 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | trans | -97.5 | 8.2 | 176.6 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | P272 M316 F320 N326 I327 | P272-T324 VanDerWaalsContact CD-O 3.25Å; P272-T324 WeakPolarHBondContact CD-O 3.22Å; P272-T324 WeakPolarHBondContact CG-O 3.38Å; M316-T324 HydrophobicContact CE-CG2 3.35Å; M316-T324 HydrophobicContact CG-CG2 4.45Å; M316-T324 HydrophobicContact SD-CG2 3.14Å; M316-T324 WeakPolarHBondContact SD-CG2 3.34Å; F320-T324 HydrophobicContact CB-CG2 4.37Å; T324-N326 PolarHBondContact O-N 3.07Å; T324-I327 PolarHBondContact O-N 3.29Å | ||
| 325 | N | 72.4 | Confident | 76.7 | Confident | 45 Ų | 45 | 28.5 Ų | 28.5 | 24% | 0.241 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -29.8 | -163.3 | -79.9 | -9.5 | 0 | 0 | 0 | 115.4 | T271 N273 N323 | T271-N325 WeakPolarHBondContact CB-O 3.36Å; T271-N325 PolarHBondContact OG1-O 2.96Å; N273-N325 HydrophobicContact CB-CB 4.29Å; N273-N325 WeakPolarHBondContact CB-O 3.49Å; N273-N325 VanDerWaalsContact CG-CB 3.46Å; N273-N325 PolarHBondContact N-O 2.79Å; N273-N325 WeakPolarHBondContact ND2-CB 3.28Å; N273-N325 WeakPolarHBondContact OD1-CB 3.25Å; N273-N325 PolarHBondContact OD1-ND2 2.7Å; N323-N325 WeakPolarHBondContact OD1-CB 3.34Å; N323-N325 VanDerWaalsContact OD1-CG 3.25Å; N323-N325 PolarHBondContact OD1-N 3.42Å; N323-N325 PolarHBondContact OD1-ND2 2.71Å |
| 326 | N | 75.7 | Confident | 77.1 | Confident | 101 Ų | 101 | 31.2 Ų | 31.2 | 54% | 0.54 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -2.3 | -178.1 | -72.7 | -5.4 | 0 | 0 | 0 | 113.5 | R44 T271 T324 | R44-N326 PolarHBondContact NH1-O 3.31Å; R44-N326 PolarHBondContact NH2-O 3.28Å; T271-N326 VanDerWaalsContact CG2-C 3.48Å; T271-N326 WeakPolarHBondContact CG2-O 3.2Å; T324-N326 PolarHBondContact O-N 3.07Å |
| 327 | I | 77.1 | Confident | 77.4 | Confident | 25 Ų | 25 | 32 Ų | 32 | 13% | 0.128 | 16% | 0.163 | C | C | . | . | trans | -102.9 | 134.7 | -172.3 | -64.3 | 178 | 0 | 0 | 0 | 109.5 | L48 P272 F320 T324 E331 L332 | L48-I327 HydrophobicContact CD1-CD1 4.15Å; P272-I327 WeakPolarHBondContact CD-O 3.23Å; F320-I327 HydrophobicContact CD1-CD1 3.47Å; F320-I327 VanDerWaalsContact CD1-CD1 3.47Å; F320-I327 HydrophobicContact CE1-CD1 3.18Å; F320-I327 HydrophobicContact CZ-CD1 4.22Å; T324-I327 PolarHBondContact O-N 3.29Å; I327-E331 HydrophobicContact CG2-CB 3.85Å; I327-L332 HydrophobicContact CG2-CB 4.22Å | ||
| 328 | T | 78.5 | Confident | 77.7 | Confident | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | trans | -79 | 155.4 | 175.4 | 62.9 | 0 | 0 | 0 | 0 | 110.9 | I36 T271 R330 E331 L332 | I36-T328 HydrophobicContact CD1-CG2 3.76Å; T271-T328 HydrophobicContact CG2-CG2 4.2Å; T328-R330 VanDerWaalsContact C-N 3.31Å; T328-R330 PolarHBondContact O-N 3.48Å; T328-E331 PolarHBondContact N-OE2 3.09Å; T328-E331 WeakPolarHBondContact O-CB 3.43Å; T328-E331 PolarHBondContact O-N 2.91Å; T328-E331 VanDerWaalsContact O-N 3.14Å; T328-E331 WeakPolarHBondContact OG1-CG 3.36Å; T328-E331 PolarHBondContact OG1-OE2 3.2Å; T328-L332 PolarHBondContact O-N 2.84Å | ||
| 329 | E | 76.8 | Confident | 77.8 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 2% | 0.023 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -38.7 | -176.9 | -159.6 | 157 | 174.6 | 0 | 0 | 113.1 | I267 R293 Q294 F295 E331 L332 E333 | I267-E329 HydrophobicContact CG2-CG 4.39Å; I267-E329 VanDerWaalsContact CG2-OE2 3.22Å; I267-E329 WeakPolarHBondContact CG2-OE2 3.32Å; R293-E329 WeakPolarHBondContact CA-OE1 3.45Å; R293-E329 IonicContact NE-OE2 3.32Å; R293-E329 PolarHBondContact NE-OE2 2.86Å; Q294-E329 WeakPolarHBondContact CA-OE1 3.38Å; Q294-E329 WeakPolarHBondContact CB-OE1 3.45Å; Q294-E329 PolarHBondContact N-OE1 3.39Å; F295-E329 HydrophobicContact CD2-CG 3.85Å; F295-E329 PolarHBondContact N-OE1 3.15Å; E329-E331 PolarHBondContact O-N 3.25Å; E329-L332 WeakPolarHBondContact O-CB 3.27Å; E329-L332 PolarHBondContact O-N 2.71Å; E329-L332 VanDerWaalsContact O-N 3.17Å; E329-E333 WeakPolarHBondContact O-CG 3.45Å; E329-E333 PolarHBondContact O-N 2.84Å |
| 330 | R | 81.1 | Confident | 77.8 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.7 | -36.8 | 175.3 | -75.4 | -162 | -71.7 | 177.1 | -12.4 | 113.5 | E33 L34 L97 I120 T269 T328 L332 A334 | E33-R330 PolarHBondContact O-NH2 2.95Å; L34-R330 VanDerWaalsContact CA-NH2 3.29Å; L97-R330 HydrophobicContact CD2-CB 4.14Å; I120-R330 HydrophobicContact CG2-CB 4.34Å; I120-R330 HydrophobicContact CG2-CG 3.78Å; T269-R330 HydrophobicContact CG2-CG 4.35Å; T269-R330 VanDerWaalsContact CG2-NE 3.33Å; T328-R330 VanDerWaalsContact C-N 3.31Å; T328-R330 PolarHBondContact O-N 3.48Å; R330-L332 VanDerWaalsContact C-N 3.34Å; R330-A334 WeakPolarHBondContact O-CB 3.41Å; R330-A334 PolarHBondContact O-N 3.28Å |
| 331 | E | 81 | Confident | 77.6 | Confident | 5 Ų | 5 | 30 Ų | 30 | 2% | 0.023 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 173.4 | -71.7 | 167 | 149.5 | 0 | 0 | 110.4 | I36 L41 R44 F45 I327 T328 E329 A334 V335 | I36-E331 WeakPolarHBondContact CD1-OE1 3.46Å; L41-E331 HydrophobicContact CD1-CG 3.83Å; L41-E331 WeakPolarHBondContact CD1-OE1 3.41Å; R44-E331 WeakPolarHBondContact CD-OE1 2.92Å; R44-E331 IonicContact NH1-OE1 2.76Å; R44-E331 PolarHBondContact NH1-OE1 3.04Å; R44-E331 IonicContact NH1-OE2 3.17Å; R44-E331 PolarHBondContact NH1-OE2 3.19Å; F45-E331 HydrophobicContact CE2-CG 4.46Å; I327-E331 HydrophobicContact CG2-CB 3.85Å; T328-E331 PolarHBondContact N-OE2 3.09Å; T328-E331 WeakPolarHBondContact O-CB 3.43Å; T328-E331 PolarHBondContact O-N 2.91Å; T328-E331 VanDerWaalsContact O-N 3.14Å; T328-E331 WeakPolarHBondContact OG1-CG 3.36Å; T328-E331 PolarHBondContact OG1-OE2 3.2Å; E329-E331 PolarHBondContact O-N 3.25Å; E331-A334 PolarHBondContact O-N 2.76Å; E331-V335 WeakPolarHBondContact O-CG2 3.33Å; E331-V335 PolarHBondContact O-N 3.13Å |
| 332 | L | 79.8 | Confident | 77.3 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.9 | -42.5 | 177.6 | -177.8 | 66.7 | 0 | 0 | 0 | 112.2 | F295 M316 F320 I327 T328 E329 R330 V335 Y336 | F295-L332 HydrophobicContact CB-CD2 3.92Å; F295-L332 HydrophobicContact CD1-CD2 3.25Å; F295-L332 HydrophobicContact CD1-CG 3.88Å; F295-L332 HydrophobicContact CD2-CD2 3.87Å; F295-L332 HydrophobicContact CD2-CG 4.43Å; F295-L332 HydrophobicContact CE1-CD2 3.69Å; F295-L332 HydrophobicContact CE1-CG 3.75Å; F295-L332 HydrophobicContact CE2-CD2 4.26Å; F295-L332 HydrophobicContact CE2-CG 4.34Å; F295-L332 HydrophobicContact CG-CD2 3.38Å; F295-L332 HydrophobicContact CG-CG 4.25Å; F295-L332 HydrophobicContact CZ-CD2 4.19Å; F295-L332 HydrophobicContact CZ-CG 4.01Å; M316-L332 HydrophobicContact CE-CD1 4.11Å; M316-L332 HydrophobicContact CE-CD2 3.71Å; F320-L332 HydrophobicContact CD2-CD1 3.81Å; F320-L332 HydrophobicContact CE2-CD1 3.2Å; F320-L332 HydrophobicContact CZ-CD1 3.64Å; I327-L332 HydrophobicContact CG2-CB 4.22Å; T328-L332 PolarHBondContact O-N 2.84Å; E329-L332 WeakPolarHBondContact O-CB 3.27Å; E329-L332 PolarHBondContact O-N 2.71Å; E329-L332 VanDerWaalsContact O-N 3.17Å; R330-L332 VanDerWaalsContact C-N 3.34Å; L332-V335 PolarHBondContact O-N 3.26Å; L332-Y336 PolarHBondContact O-N 2.94Å |
| 333 | E | 79.3 | Confident | 77 | Confident | 9 Ų | 9 | 25 Ų | 25 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.9 | -47.7 | 171.7 | -73.6 | 168.3 | -151.7 | 0 | 0 | 110.9 | I120 Q294 F295 E329 V335 Y336 M337 | I120-E333 HydrophobicContact CD1-CB 3.89Å; I120-E333 WeakPolarHBondContact CG2-OE2 3.07Å; Q294-E333 VanDerWaalsContact CD-OE1 3.28Å; Q294-E333 PolarHBondContact OE1-OE1 3.27Å; F295-E333 HydrophobicContact CD2-CG 4.38Å; F295-E333 HydrophobicContact CE2-CB 4.48Å; F295-E333 HydrophobicContact CE2-CG 3.45Å; F295-E333 VanDerWaalsContact CE2-CG 3.45Å; F295-E333 HydrophobicContact CZ-CG 4.16Å; E329-E333 WeakPolarHBondContact O-CG 3.45Å; E329-E333 PolarHBondContact O-N 2.84Å; E333-V335 VanDerWaalsContact C-N 3.34Å; E333-V335 PolarHBondContact O-N 3.35Å; E333-Y336 PolarHBondContact O-N 2.89Å; E333-M337 WeakPolarHBondContact O-CB 3.07Å; E333-M337 VanDerWaalsContact O-CG 3.27Å; E333-M337 WeakPolarHBondContact O-CG 3.45Å; E333-M337 PolarHBondContact O-N 3.07Å |
| 334 | A | 82.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F45 I95 L97 I120 R330 E331 M337 I338 | F45-A334 HydrophobicContact CZ-CB 4Å; I95-A334 HydrophobicContact CG2-CB 4.26Å; L97-A334 HydrophobicContact CD2-CB 4.27Å; I120-A334 HydrophobicContact CD1-CB 4.31Å; R330-A334 WeakPolarHBondContact O-CB 3.41Å; R330-A334 PolarHBondContact O-N 3.28Å; E331-A334 PolarHBondContact O-N 2.76Å; A334-M337 PolarHBondContact O-N 3.32Å; A334-I338 WeakPolarHBondContact O-CB 3.02Å; A334-I338 WeakPolarHBondContact O-CD1 3.39Å; A334-I338 WeakPolarHBondContact O-CG1 3.45Å; A334-I338 PolarHBondContact O-N 3.25Å |
| 335 | V | 82.3 | Confident | 76.1 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | F45 L48 I52 F320 E331 L332 E333 M337 I338 L339 | F45-V335 HydrophobicContact CE1-CG2 3.86Å; F45-V335 HydrophobicContact CZ-CG2 4.39Å; L48-V335 HydrophobicContact CD1-CG2 4.19Å; I52-V335 HydrophobicContact CD1-CG1 4.02Å; I52-V335 HydrophobicContact CD1-CG2 4.04Å; I52-V335 HydrophobicContact CG1-CG1 4.01Å; F320-V335 HydrophobicContact CE2-CG1 4.27Å; F320-V335 HydrophobicContact CZ-CB 4.31Å; F320-V335 HydrophobicContact CZ-CG1 3.94Å; F320-V335 HydrophobicContact CZ-CG2 4.41Å; E331-V335 WeakPolarHBondContact O-CG2 3.33Å; E331-V335 PolarHBondContact O-N 3.13Å; L332-V335 PolarHBondContact O-N 3.26Å; E333-V335 VanDerWaalsContact C-N 3.34Å; E333-V335 PolarHBondContact O-N 3.35Å; V335-M337 VanDerWaalsContact C-N 3.31Å; V335-M337 PolarHBondContact O-N 3.1Å; V335-I338 WeakPolarHBondContact O-CB 3.46Å; V335-I338 PolarHBondContact O-N 2.81Å; V335-L339 HydrophobicContact CG1-CD1 4.34Å; V335-L339 WeakPolarHBondContact O-CG 3.19Å; V335-L339 PolarHBondContact O-N 3.29Å; V335-L339 VanDerWaalsContact O-N 3.12Å |
| 336 | Y | 79.5 | Confident | 75.6 | Confident | 69 Ų | 69 | 21.7 Ų | 21.7 | 27% | 0.271 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 176.4 | -179 | -116.8 | 0 | 0 | 0 | 111.6 | L315 L332 E333 L339 L340 | L315-Y336 HydrophobicContact CD2-CD2 3.53Å; L315-Y336 HydrophobicContact CD2-CE2 4.48Å; L315-Y336 HydrophobicContact CD2-CG 4.19Å; L332-Y336 PolarHBondContact O-N 2.94Å; E333-Y336 PolarHBondContact O-N 2.89Å; Y336-L339 PolarHBondContact O-N 2.74Å; Y336-L340 HydrophobicContact CD1-CD1 3.75Å; Y336-L340 HydrophobicContact CE1-CD1 3.29Å; Y336-L340 HydrophobicContact CE1-CG 4.16Å; Y336-L340 HydrophobicContact CE2-CD1 4.31Å; Y336-L340 HydrophobicContact CE2-CG 4.33Å; Y336-L340 HydrophobicContact CG-CD1 4.44Å; Y336-L340 PolarHBondContact O-N 3.24Å |
| 337 | M | 80.8 | Confident | 74.8 | Confident | 21 Ų | 21 | 22.1 Ų | 22.1 | 10% | 0.103 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.5 | -33.8 | 178.3 | -70 | -50.3 | -58.3 | 0 | 0 | 113.6 | I95 I118 L142 I144 E333 A334 V335 L339 L340 S341 | I95-M337 HydrophobicContact CD1-CB 4.38Å; I118-M337 HydrophobicContact CD1-CB 4.14Å; I118-M337 HydrophobicContact CD1-CE 3.66Å; I118-M337 HydrophobicContact CG1-CE 4.29Å; I118-M337 HydrophobicContact CG2-CE 4.31Å; I118-M337 HydrophobicContact CG2-CG 4.16Å; L142-M337 HydrophobicContact CD2-CE 3.5Å; L142-M337 VanDerWaalsContact CD2-CE 3.5Å; I144-M337 HydrophobicContact CD1-CE 3.97Å; I144-M337 HydrophobicContact CD1-CG 3.23Å; I144-M337 HydrophobicContact CD1-SD 3.41Å; I144-M337 WeakPolarHBondContact CD1-SD 3.4Å; E333-M337 WeakPolarHBondContact O-CB 3.07Å; E333-M337 VanDerWaalsContact O-CG 3.27Å; E333-M337 WeakPolarHBondContact O-CG 3.45Å; E333-M337 PolarHBondContact O-N 3.07Å; A334-M337 PolarHBondContact O-N 3.32Å; V335-M337 VanDerWaalsContact C-N 3.31Å; V335-M337 PolarHBondContact O-N 3.1Å; M337-L339 VanDerWaalsContact C-N 3.33Å; M337-L340 HydrophobicContact CE-CD1 4.39Å; M337-L340 PolarHBondContact O-N 3.41Å; M337-L340 HydrophobicContact SD-CD1 3.81Å; M337-S341 VanDerWaalsContact O-CB 3.29Å; M337-S341 WeakPolarHBondContact O-CB 3.18Å; M337-S341 PolarHBondContact O-N 2.97Å; M337-S341 PolarHBondContact O-OG 3.14Å |
| 338 | I | 79.1 | Confident | 74.1 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.2 | -48.1 | 170.3 | -75.5 | 163.6 | 0 | 0 | 0 | 110.1 | I26 I28 F45 I52 F71 L73 I95 A334 V335 S341 S342 | I26-I338 HydrophobicContact CD1-CG1 4.3Å; I26-I338 HydrophobicContact CD1-CG2 4.46Å; I26-I338 HydrophobicContact CG2-CG1 4.41Å; I28-I338 HydrophobicContact CD1-CD1 4.2Å; F45-I338 HydrophobicContact CD1-CD1 4.47Å; F45-I338 HydrophobicContact CE1-CD1 3.86Å; I52-I338 HydrophobicContact CG2-CG2 3.56Å; F71-I338 HydrophobicContact CE1-CG2 3.99Å; F71-I338 HydrophobicContact CE2-CG2 3.69Å; F71-I338 HydrophobicContact CZ-CB 4.32Å; F71-I338 HydrophobicContact CZ-CG1 4.32Å; F71-I338 HydrophobicContact CZ-CG2 3.22Å; L73-I338 HydrophobicContact CD1-CD1 3.95Å; I95-I338 HydrophobicContact CD1-CD1 4.47Å; I95-I338 HydrophobicContact CD1-CG1 3.73Å; A334-I338 WeakPolarHBondContact O-CB 3.02Å; A334-I338 WeakPolarHBondContact O-CD1 3.39Å; A334-I338 WeakPolarHBondContact O-CG1 3.45Å; A334-I338 PolarHBondContact O-N 3.25Å; V335-I338 WeakPolarHBondContact O-CB 3.46Å; V335-I338 PolarHBondContact O-N 2.81Å; I338-S341 PolarHBondContact O-N 3.36Å; I338-S341 PolarHBondContact O-OG 3.15Å; I338-S342 PolarHBondContact O-N 3.33Å |
| 339 | L | 75.5 | Confident | 73.1 | Confident | 10 Ų | 10 | 28.2 Ų | 28.2 | 5% | 0.052 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.7 | -43.6 | -179.8 | -67.1 | 165.2 | 0 | 0 | 0 | 112.1 | I52 A56 L315 I319 V335 Y336 M337 S341 S342 Q343 | I52-L339 HydrophobicContact CG2-CD2 4.2Å; A56-L339 HydrophobicContact CB-CD2 4.18Å; L315-L339 HydrophobicContact CD1-CD1 3.27Å; L315-L339 HydrophobicContact CD2-CD1 4.28Å; L315-L339 HydrophobicContact CG-CD1 4.35Å; I319-L339 HydrophobicContact CD1-CD1 3.62Å; I319-L339 HydrophobicContact CD1-CD2 4.28Å; V335-L339 HydrophobicContact CG1-CD1 4.34Å; V335-L339 WeakPolarHBondContact O-CG 3.19Å; V335-L339 PolarHBondContact O-N 3.29Å; V335-L339 VanDerWaalsContact O-N 3.12Å; Y336-L339 PolarHBondContact O-N 2.74Å; M337-L339 VanDerWaalsContact C-N 3.33Å; L339-S341 VanDerWaalsContact C-N 3.32Å; L339-S341 PolarHBondContact O-N 3.3Å; L339-S342 WeakPolarHBondContact O-CB 3.36Å; L339-S342 PolarHBondContact O-N 3.19Å; L339-Q343 WeakPolarHBondContact O-CG 3.39Å; L339-Q343 PolarHBondContact O-N 3.12Å |
| 340 | L | 74.5 | Confident | 72.3 | Confident | 54 Ų | 54 | 30.8 Ų | 30.8 | 28% | 0.283 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 174.9 | -78.7 | 175.6 | 0 | 0 | 0 | 111.9 | Y336 M337 S342 Q343 A344 | Y336-L340 HydrophobicContact CD1-CD1 3.75Å; Y336-L340 HydrophobicContact CE1-CD1 3.29Å; Y336-L340 HydrophobicContact CE1-CG 4.16Å; Y336-L340 HydrophobicContact CE2-CD1 4.31Å; Y336-L340 HydrophobicContact CE2-CG 4.33Å; Y336-L340 HydrophobicContact CG-CD1 4.44Å; Y336-L340 PolarHBondContact O-N 3.24Å; M337-L340 HydrophobicContact CE-CD1 4.39Å; M337-L340 PolarHBondContact O-N 3.41Å; M337-L340 HydrophobicContact SD-CD1 3.81Å; L340-S342 VanDerWaalsContact C-N 3.32Å; L340-S342 PolarHBondContact O-N 2.93Å; L340-Q343 PolarHBondContact O-N 3.47Å; L340-A344 VanDerWaalsContact O-CB 3.28Å; L340-A344 WeakPolarHBondContact O-CB 3.27Å; L340-A344 PolarHBondContact O-N 3.45Å |
| 341 | S | 72.6 | Confident | 71 | Confident | 14 Ų | 14 | 35.7 Ų | 35.7 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -38.4 | 177.4 | 73.9 | 0 | 0 | 0 | 0 | 111.8 | I26 M337 I338 L339 A344 T345 | I26-S341 WeakPolarHBondContact CD1-OG 3.17Å; M337-S341 VanDerWaalsContact O-CB 3.29Å; M337-S341 WeakPolarHBondContact O-CB 3.18Å; M337-S341 PolarHBondContact O-N 2.97Å; M337-S341 PolarHBondContact O-OG 3.14Å; I338-S341 PolarHBondContact O-N 3.36Å; I338-S341 PolarHBondContact O-OG 3.15Å; L339-S341 VanDerWaalsContact C-N 3.32Å; L339-S341 PolarHBondContact O-N 3.3Å; S341-A344 PolarHBondContact O-N 2.66Å; S341-T345 WeakPolarHBondContact O-CB 3.32Å; S341-T345 PolarHBondContact O-N 3.2Å; S341-T345 PolarHBondContact O-OG1 2.97Å |
| 342 | S | 70.2 | Confident | 69.7 | Low | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -48.6 | 174.1 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | I338 L339 L340 A344 T345 I346 | I338-S342 PolarHBondContact O-N 3.33Å; L339-S342 WeakPolarHBondContact O-CB 3.36Å; L339-S342 PolarHBondContact O-N 3.19Å; L340-S342 VanDerWaalsContact C-N 3.32Å; L340-S342 PolarHBondContact O-N 2.93Å; S342-A344 VanDerWaalsContact C-N 3.34Å; S342-A344 PolarHBondContact O-N 3.21Å; S342-T345 WeakPolarHBondContact O-CB 3.18Å; S342-T345 PolarHBondContact O-N 2.91Å; S342-I346 WeakPolarHBondContact O-CD1 3.41Å; S342-I346 WeakPolarHBondContact O-CG1 3.25Å; S342-I346 PolarHBondContact O-N 3.48Å |
| 343 | Q | 66.8 | Low | 68.2 | Low | 51 Ų | 51 | 45.2 Ų | 45.2 | 24% | 0.238 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 177 | -69.1 | 172.4 | 10.2 | 0 | 0 | 112 | P59 L339 L340 I346 L347 | P59-Q343 HydrophobicContact CG-CG 4.04Å; L339-Q343 WeakPolarHBondContact O-CG 3.39Å; L339-Q343 PolarHBondContact O-N 3.12Å; L340-Q343 PolarHBondContact O-N 3.47Å; Q343-I346 PolarHBondContact O-N 2.91Å; Q343-L347 WeakPolarHBondContact O-CB 3.33Å; Q343-L347 PolarHBondContact O-N 3.3Å |
| 344 | A | 67 | Low | 66.9 | Low | 43 Ų | 43 | 50.5 Ų | 50.5 | 36% | 0.355 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L340 S341 S342 I346 L347 M348 | L340-A344 VanDerWaalsContact O-CB 3.28Å; L340-A344 WeakPolarHBondContact O-CB 3.27Å; L340-A344 PolarHBondContact O-N 3.45Å; S341-A344 PolarHBondContact O-N 2.66Å; S342-A344 VanDerWaalsContact C-N 3.34Å; S342-A344 PolarHBondContact O-N 3.21Å; A344-I346 VanDerWaalsContact C-N 3.31Å; A344-I346 PolarHBondContact O-N 3.38Å; A344-L347 PolarHBondContact O-N 2.8Å; A344-M348 WeakPolarHBondContact O-CB 3.44Å; A344-M348 VanDerWaalsContact O-CG 3.3Å; A344-M348 WeakPolarHBondContact O-CG 3.34Å; A344-M348 PolarHBondContact O-N 3.46Å |
| 345 | T | 64.8 | Low | 65.3 | Low | 16 Ų | 16 | 52.7 Ų | 52.7 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 176.9 | -50.6 | 0 | 0 | 0 | 0 | 111 | L24 S341 S342 M348 K349 M356 | L24-T345 HydrophobicContact CD1-CG2 4.31Å; S341-T345 WeakPolarHBondContact O-CB 3.32Å; S341-T345 PolarHBondContact O-N 3.2Å; S341-T345 PolarHBondContact O-OG1 2.97Å; S342-T345 WeakPolarHBondContact O-CB 3.18Å; S342-T345 PolarHBondContact O-N 2.91Å; T345-M348 PolarHBondContact O-N 3.43Å; T345-K349 WeakPolarHBondContact O-CB 3.26Å; T345-K349 PolarHBondContact O-N 3.23Å; T345-M356 HydrophobicContact CG2-CG 4.04Å; T345-M356 HydrophobicContact CG2-SD 3.72Å |
| 346 | I | 61.7 | Low | 63.6 | Low | 15 Ų | 15 | 54.2 Ų | 54.2 | 8% | 0.077 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.4 | -40.7 | 179.4 | -63.2 | 160.5 | 0 | 0 | 0 | 111.2 | I60 P68 S342 Q343 A344 K349 S350 | I60-I346 HydrophobicContact CD1-CB 3.93Å; I60-I346 HydrophobicContact CD1-CD1 3.25Å; I60-I346 HydrophobicContact CD1-CG1 4.14Å; I60-I346 HydrophobicContact CD1-CG2 3.65Å; I60-I346 HydrophobicContact CG1-CG2 4.35Å; P68-I346 HydrophobicContact CB-CD1 3.9Å; S342-I346 WeakPolarHBondContact O-CD1 3.41Å; S342-I346 WeakPolarHBondContact O-CG1 3.25Å; S342-I346 PolarHBondContact O-N 3.48Å; Q343-I346 PolarHBondContact O-N 2.91Å; A344-I346 VanDerWaalsContact C-N 3.31Å; A344-I346 PolarHBondContact O-N 3.38Å; I346-K349 PolarHBondContact O-N 3.18Å; I346-S350 PolarHBondContact O-N 2.91Å |
| 347 | L | 60.5 | Low | 62.1 | Low | 109 Ų | 109 | 55.9 Ų | 55.9 | 57% | 0.571 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.6 | -42.9 | 174.4 | -175.1 | 73.3 | 0 | 0 | 0 | 111.7 | Q343 A344 K349 S350 L351 | Q343-L347 WeakPolarHBondContact O-CB 3.33Å; Q343-L347 PolarHBondContact O-N 3.3Å; A344-L347 PolarHBondContact O-N 2.8Å; L347-K349 VanDerWaalsContact C-N 3.31Å; L347-K349 PolarHBondContact O-N 2.96Å; L347-S350 PolarHBondContact O-N 3.14Å; L347-S350 PolarHBondContact O-OG 3.21Å; L347-L351 HydrophobicContact CG-CD1 4.37Å; L347-L351 WeakPolarHBondContact O-CG 3.49Å; L347-L351 PolarHBondContact O-N 3.26Å; L347-L351 VanDerWaalsContact O-N 3.08Å |
| 348 | M | 61.4 | Low | 60.7 | Low | 60 Ų | 60 | 57.8 Ų | 57.8 | 30% | 0.296 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 175.7 | -73.7 | -134.8 | -125.3 | 0 | 0 | 111.8 | A344 T345 S350 L351 T352 I353 F355 | A344-M348 WeakPolarHBondContact O-CB 3.44Å; A344-M348 VanDerWaalsContact O-CG 3.3Å; A344-M348 WeakPolarHBondContact O-CG 3.34Å; A344-M348 PolarHBondContact O-N 3.46Å; T345-M348 PolarHBondContact O-N 3.43Å; M348-S350 VanDerWaalsContact C-N 3.34Å; M348-S350 PolarHBondContact O-N 3.4Å; M348-L351 CarbonylContact O-C 3.47Å; M348-L351 PolarHBondContact O-N 3.05Å; M348-T352 PolarHBondContact O-N 3.42Å; M348-I353 HydrophobicContact CB-CB 4.37Å; M348-I353 PolarHBondContact O-N 3.46Å; M348-I353 HydrophobicContact SD-CB 4.42Å; M348-I353 HydrophobicContact SD-CG2 3.99Å; M348-F355 HydrophobicContact CE-CD2 3.86Å; M348-F355 HydrophobicContact CE-CE2 4.28Å; M348-F355 HydrophobicContact CE-CG 4.19Å; M348-F355 HydrophobicContact SD-CB 4.34Å; M348-F355 HydrophobicContact SD-CD2 4.19Å; M348-F355 HydrophobicContact SD-CG 4.47Å |
| 349 | K | 58.6 | Low | 59.1 | Low | 98 Ų | 98 | 62.4 Ų | 62.4 | 43% | 0.426 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 174.9 | -166.2 | 171.4 | -174.4 | 173.7 | 0 | 112.3 | T345 I346 L347 L351 T352 | T345-K349 WeakPolarHBondContact O-CB 3.26Å; T345-K349 PolarHBondContact O-N 3.23Å; I346-K349 PolarHBondContact O-N 3.18Å; L347-K349 VanDerWaalsContact C-N 3.31Å; L347-K349 PolarHBondContact O-N 2.96Å; K349-L351 VanDerWaalsContact C-N 3.27Å; K349-L351 PolarHBondContact O-N 2.87Å; K349-T352 PolarHBondContact O-N 3.33Å |
| 350 | S | 58.4 | Low | 57.8 | Low | 59 Ų | 59 | 65.4 Ų | 65.4 | 41% | 0.413 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.6 | -28.3 | 175.2 | 81.9 | 0 | 0 | 0 | 0 | 112.5 | I346 L347 M348 T352 | I346-S350 PolarHBondContact O-N 2.91Å; L347-S350 PolarHBondContact O-N 3.14Å; L347-S350 PolarHBondContact O-OG 3.21Å; M348-S350 VanDerWaalsContact C-N 3.34Å; M348-S350 PolarHBondContact O-N 3.4Å; S350-T352 VanDerWaalsContact C-N 3.27Å; S350-T352 PolarHBondContact O-N 3.18Å |
| 351 | L | 55.5 | Low | 56.7 | Low | 104 Ų | 104 | 66 Ų | 66 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 6.6 | 173.1 | -67.9 | 169.6 | 0 | 0 | 0 | 113.7 | L347 M348 K349 I353 | L347-L351 HydrophobicContact CG-CD1 4.37Å; L347-L351 WeakPolarHBondContact O-CG 3.49Å; L347-L351 PolarHBondContact O-N 3.26Å; L347-L351 VanDerWaalsContact O-N 3.08Å; M348-L351 CarbonylContact O-C 3.47Å; M348-L351 PolarHBondContact O-N 3.05Å; K349-L351 VanDerWaalsContact C-N 3.27Å; K349-L351 PolarHBondContact O-N 2.87Å; L351-I353 HydrophobicContact CB-CD1 4.14Å; L351-I353 HydrophobicContact CB-CG1 4.2Å; L351-I353 PolarHBondContact O-N 2.74Å |
| 352 | T | 52.1 | Low | 55.6 | Low | 122 Ų | 122 | 70.4 Ų | 70.4 | 75% | 0.748 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 28 | -177 | 56 | 0 | 0 | 0 | 0 | 114.3 | M348 K349 S350 | M348-T352 PolarHBondContact O-N 3.42Å; K349-T352 PolarHBondContact O-N 3.33Å; S350-T352 VanDerWaalsContact C-N 3.27Å; S350-T352 PolarHBondContact O-N 3.18Å |
| 353 | I | 50.1 | Low | 54.8 | Low | 88 Ų | 88 | 75.6 Ų | 75.6 | 45% | 0.451 | 42% | 0.423 | S | S | . | . | trans | -91.5 | 104.9 | 171.9 | -58.2 | 172.1 | 0 | 0 | 0 | 106.8 | M348 L351 F355 | M348-I353 HydrophobicContact CB-CB 4.37Å; M348-I353 PolarHBondContact O-N 3.46Å; M348-I353 HydrophobicContact SD-CB 4.42Å; M348-I353 HydrophobicContact SD-CG2 3.99Å; L351-I353 HydrophobicContact CB-CD1 4.14Å; L351-I353 HydrophobicContact CB-CG1 4.2Å; L351-I353 PolarHBondContact O-N 2.74Å; I353-F355 PolarHBondContact O-N 2.85Å | ||
| 354 | D | 51.7 | Low | 54.1 | Low | 120 Ų | 120 | 74.2 Ų | 74.2 | 64% | 0.642 | 42% | 0.419 | S | S | * | . | trans | -74.4 | 60.9 | -177.2 | -71.7 | -33.3 | 0 | 0 | 0 | 112.3 | M356 D357 | D354-M356 PolarHBondContact O-N 3.18Å; D354-D357 HydrophobicContact CB-CB 4.4Å; D354-D357 PolarHBondContact O-N 3.38Å | ||
| 355 | F | 48.2 | Very low | 53.2 | Low | 45 Ų | 45 | 77 Ų | 77 | 20% | 0.197 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -63.2 | -21.4 | 175.5 | -161.4 | -88.7 | 0 | 0 | 0 | 112.7 | P116 M140 M348 I353 D357 I358 | P116-F355 HydrophobicContact CG-CE1 3.74Å; P116-F355 HydrophobicContact CG-CE2 4.45Å; P116-F355 HydrophobicContact CG-CZ 3.33Å; M140-F355 HydrophobicContact CE-CE2 3.44Å; M140-F355 VanDerWaalsContact CE-CE2 3.44Å; M140-F355 HydrophobicContact CE-CZ 3.49Å; M140-F355 VanDerWaalsContact CE-CZ 3.49Å; M348-F355 HydrophobicContact CE-CD2 3.86Å; M348-F355 HydrophobicContact CE-CE2 4.28Å; M348-F355 HydrophobicContact CE-CG 4.19Å; M348-F355 HydrophobicContact SD-CB 4.34Å; M348-F355 HydrophobicContact SD-CD2 4.19Å; M348-F355 HydrophobicContact SD-CG 4.47Å; I353-F355 PolarHBondContact O-N 2.85Å; F355-D357 VanDerWaalsContact C-N 3.32Å; F355-I358 HydrophobicContact CE1-CD1 4.07Å; F355-I358 HydrophobicContact CZ-CD1 4.25Å; F355-I358 WeakPolarHBondContact O-CG1 3.46Å |
| 356 | M | 47 | Very low | 52.1 | Low | 34 Ų | 34 | 78.5 Ų | 78.5 | 17% | 0.167 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -81.7 | -8.5 | -179.4 | -67.4 | -78 | -75.2 | 0 | 0 | 113.6 | K22 L24 H92 T345 D354 | K22-M356 HydrophobicContact CB-CE 4.15Å; K22-M356 WeakPolarHBondContact O-CE 3.35Å; L24-M356 HydrophobicContact CD1-SD 4.31Å; H92-M356 PolarHBondContact CD2-SD 3.47Å; T345-M356 HydrophobicContact CG2-CG 4.04Å; T345-M356 HydrophobicContact CG2-SD 3.72Å; D354-M356 PolarHBondContact O-N 3.18Å |
| 357 | D | 48.6 | Very low | 51 | Low | 103 Ų | 103 | 80.6 Ų | 80.6 | 55% | 0.551 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -101.7 | 32 | 179 | -80.4 | -24.5 | 0 | 0 | 0 | 112.3 | D354 F355 P359 | D354-D357 HydrophobicContact CB-CB 4.4Å; D354-D357 PolarHBondContact O-N 3.38Å; F355-D357 VanDerWaalsContact C-N 3.32Å; D357-P359 WeakPolarHBondContact O-CD 3.49Å |
| 358 | I | 51 | Low | 49.6 | Very low | 62 Ų | 62 | 80.2 Ų | 80.2 | 32% | 0.318 | 46% | 0.462 | S | S | . | . | trans | -59 | 113.4 | 163.4 | -58.5 | 167.8 | 0 | 0 | 0 | 105.9 | F355 S360 | F355-I358 HydrophobicContact CE1-CD1 4.07Å; F355-I358 HydrophobicContact CZ-CD1 4.25Å; F355-I358 WeakPolarHBondContact O-CG1 3.46Å; I358-S360 PolarHBondContact O-N 3.37Å | ||
| 359 | P | 45.3 | Very low | 48.2 | Very low | 99 Ų | 99 | 82.8 Ų | 82.8 | 64% | 0.643 | 48% | 0.476 | S | S | * | . | trans | -60.8 | 129.1 | 179.5 | 24.2 | -30.9 | 0 | 0 | 0 | 107.4 | D357 I361 | D357-P359 WeakPolarHBondContact O-CD 3.49Å; P359-I361 PolarHBondContact O-N 2.79Å | ||
| 360 | S | 48 | Very low | 46.7 | Very low | 73 Ų | 73 | 83.3 Ų | 83.3 | 51% | 0.51 | 48% | 0.48 | S | S | . | . | trans | -55.7 | 112.7 | 171.1 | 57.2 | 0 | 0 | 0 | 0 | 107.4 | D90 I358 P362 | D90-S360 WeakPolarHBondContact OD1-CB 3.46Å; I358-S360 PolarHBondContact O-N 3.37Å; S360-P362 WeakPolarHBondContact O-CD 3.29Å | ||
| 361 | I | 51.7 | Low | 45.5 | Very low | 66 Ų | 66 | 86 Ų | 86 | 34% | 0.338 | 50% | 0.496 | S | S | . | . | trans | -75.9 | 106.5 | -179.8 | -57.7 | 165.7 | 0 | 0 | 0 | 104.7 | Y113 P359 D363 | Y113-I361 HydrophobicContact CD1-CD1 3.91Å; P359-I361 PolarHBondContact O-N 2.79Å; I361-D363 VanDerWaalsContact CG2-O 3.27Å; I361-D363 WeakPolarHBondContact CG2-O 3.4Å; I361-D363 PolarHBondContact O-N 3.48Å | ||
| 362 | P | 49.8 | Very low | 44.3 | Very low | 107 Ų | 107 | 89.5 Ų | 89.5 | 70% | 0.695 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -67.4 | -26.1 | -170.4 | 26.9 | -32.1 | 0 | 0 | 0 | 111.7 | S360 | S360-P362 WeakPolarHBondContact O-CD 3.29Š|
| 363 | D | 53 | Low | 43.3 | Very low | 114 Ų | 114 | 88.4 Ų | 88.4 | 61% | 0.61 | 50% | 0.497 | S | S | * | . | trans | -110.1 | 99.3 | 172.9 | -70.9 | -41.6 | 0 | 0 | 0 | 109 | I361 D365 | I361-D363 VanDerWaalsContact CG2-O 3.27Å; I361-D363 WeakPolarHBondContact CG2-O 3.4Å; I361-D363 PolarHBondContact O-N 3.48Å; D363-D365 PolarHBondContact O-N 3.25Å | ||
| 364 | C | 51.9 | Low | 42.5 | Very low | 21 Ų | 21 | 94.6 Ų | 94.6 | 14% | 0.142 | 52% | 0.517 | C | S | . | . | trans | -63.8 | 74.5 | 146 | -60 | 0 | 0 | 0 | 0 | 107.2 | C84 A366 | C84-C364 WeakPolarHBondContact CA-SG 3.22Å; C84-C364 HydrophobicContact CB-CB 3.78Å; C84-C364 WeakPolarHBondContact CB-SG 3.27Å; C84-C364 PolarHBondContact O-SG 3.47Å; C84-C364 VanDerWaalsContact O-SG 3.39Å; C84-C364 WeakPolarHBondContact SG-CB 3.07Å; C84-C364 CovalentContact SG-SG 2.06Å; C84-C364 PolarHBondContact SG-SG 2.77Å; C364-A366 PolarHBondContact O-N 2.9Å | ||
| 365 | D | 47.1 | Very low | 41.8 | Very low | 103 Ų | 103 | 90.3 Ų | 90.3 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | trans | -63.6 | 90 | 143.8 | -76.4 | -37.3 | 0 | 0 | 0 | 103.2 | D363 | D363-D365 PolarHBondContact O-N 3.25Š| ||
| 366 | A | 42.4 | Very low | 41.6 | Very low | 46 Ų | 46 | 92.1 Ų | 92.1 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | trans | -37.7 | 137.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | C364 S368 | C364-A366 PolarHBondContact O-N 2.9Å; A366-S368 WeakPolarHBondContact O-CA 3.41Å; A366-S368 PolarHBondContact O-N 3.19Å | ||
| 367 | P | 37.7 | Very low | 41.3 | Very low | 60 Ų | 60 | 92.8 Ų | 92.8 | 39% | 0.39 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -40 | 123.8 | 178.9 | 18.8 | -32.5 | 0 | 0 | 0 | 106.1 | I369 | P367-I369 CarbonylContact O-C 3.57Å; P367-I369 VanDerWaalsContact O-CA 3.25Å; P367-I369 WeakPolarHBondContact O-CA 3.24Å; P367-I369 WeakPolarHBondContact O-CB 3.39Å; P367-I369 PolarHBondContact O-N 2.95Å |
| 368 | S | 31.9 | Very low | 41.5 | Very low | 100 Ų | 100 | 88.9 Ų | 88.9 | 70% | 0.699 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -67.1 | 44.4 | -153.9 | 50.7 | 0 | 0 | 0 | 0 | 114.4 | A366 Q370 | A366-S368 WeakPolarHBondContact O-CA 3.41Å; A366-S368 PolarHBondContact O-N 3.19Å; S368-Q370 PolarHBondContact O-N 3.1Å |
| 369 | I | 33.2 | Very low | 41.2 | Very low | 115 Ų | 115 | 91.7 Ų | 91.7 | 59% | 0.59 | 50% | 0.499 | S | S | * | . | -53.2 | 52.7 | 115.1 | -30.3 | 171.6 | 0 | 0 | 0 | 110.4 | P367 P371 | P367-I369 CarbonylContact O-C 3.57Å; P367-I369 VanDerWaalsContact O-CA 3.25Å; P367-I369 WeakPolarHBondContact O-CA 3.24Å; P367-I369 WeakPolarHBondContact O-CB 3.39Å; P367-I369 PolarHBondContact O-N 2.95Å; I369-P371 WeakPolarHBondContact O-CD 3.49Å; I369-P371 VanDerWaalsContact O-N 3.07Å | |||
| 370 | Q | 26.8 | Very low | 41.7 | Very low | 109 Ų | 109 | 90.5 Ų | 90.5 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | trans | -53.5 | 116.5 | 141.1 | -72.4 | -174.7 | -13.5 | 0 | 0 | 102.1 | S368 R372 | S368-Q370 PolarHBondContact O-N 3.1Å; Q370-R372 PolarHBondContact O-N 3.18Å | ||
| 371 | P | 33.1 | Very low | 42 | Very low | 114 Ų | 114 | 87.4 Ų | 87.4 | 74% | 0.74 | 46% | 0.46 | S | S | * | . | trans | -54.4 | 104.4 | 160.7 | 23.5 | -29.4 | 0 | 0 | 0 | 102.8 | I369 | I369-P371 WeakPolarHBondContact O-CD 3.49Å; I369-P371 VanDerWaalsContact O-N 3.07Å | ||
| 372 | R | 28.7 | Very low | 42.4 | Very low | 178 Ų | 178 | 85.2 Ų | 85.2 | 67% | 0.672 | 45% | 0.448 | S | S | * | . | trans | -43.1 | 125 | -177.2 | -73.3 | -174.8 | -173.1 | 171.7 | 2.8 | 105.2 | Q370 Y374 | Q370-R372 PolarHBondContact O-N 3.18Å; R372-Y374 PolarHBondContact O-N 3.38Å | ||
| 373 | P | 32.1 | Very low | 42.9 | Very low | 100 Ų | 100 | 80.4 Ų | 80.4 | 65% | 0.649 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -53.5 | 114.9 | -167.9 | 19.6 | -30.8 | 0 | 0 | 0 | 107.7 | ||
| 374 | Y | 32.8 | Very low | 43.4 | Very low | 218 Ų | 218 | 77.7 Ų | 77.7 | 86% | 0.855 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 66 | 96.6 | 173.6 | -55.3 | -81.6 | 0 | 0 | 0 | 116.4 | R372 | R372-Y374 PolarHBondContact O-N 3.38Š|
| 375 | G | 37.5 | Very low | 44.5 | Very low | 30 Ų | 30 | 78.5 Ų | 78.5 | 31% | 0.309 | 41% | 0.41 | S | S | . | . | trans | 75.1 | 70.2 | 147.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L377 | G375-L377 VanDerWaalsContact C-N 3.32Å; G375-L377 PolarHBondContact O-N 3.08Å | ||
| 376 | Q | 43.6 | Very low | 46.1 | Very low | 83 Ų | 83 | 75.4 Ų | 75.4 | 39% | 0.388 | 40% | 0.396 | S | S | . | . | trans | -54.7 | 106.3 | 155.4 | -72.8 | -166.2 | 8.1 | 0 | 0 | 107.6 | F378 | Q376-F378 WeakPolarHBondContact O-CD2 3.27Å; Q376-F378 PolarHBondContact O-N 2.8Å | ||
| 377 | L | 41.4 | Very low | 48 | Very low | 48 Ų | 48 | 73.3 Ų | 73.3 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 102 | -179.8 | -155.5 | 90.7 | 0 | 0 | 0 | 106.7 | G375 Y379 R421 R423 | G375-L377 VanDerWaalsContact C-N 3.32Å; G375-L377 PolarHBondContact O-N 3.08Å; L377-Y379 HydrophobicContact CB-CE2 4.29Å; L377-Y379 HydrophobicContact CD2-CE1 4.07Å; L377-Y379 HydrophobicContact CD2-CE2 3.96Å; L377-Y379 WeakPolarHBondContact O-CD2 3.37Å; L377-Y379 PolarHBondContact O-N 2.92Å; L377-R421 WeakPolarHBondContact CA-O 3.22Å; L377-R423 HydrophobicContact CD1-CG 3.98Å; L377-R423 HydrophobicContact CD2-CG 4Å; L377-R423 HydrophobicContact CG-CB 4.45Å; L377-R423 HydrophobicContact CG-CG 3.89Å |
| 378 | F | 51.9 | Low | 50.2 | Low | 20 Ų | 20 | 70.5 Ų | 70.5 | 9% | 0.088 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 120.7 | 174.7 | -71.5 | -98.4 | 0 | 0 | 0 | 108.9 | Q376 F420 R421 R423 Y698 | Q376-F378 WeakPolarHBondContact O-CD2 3.27Å; Q376-F378 PolarHBondContact O-N 2.8Å; F378-F420 HydrophobicContact CD2-CB 4.26Å; F378-F420 AromaticContact CD2-CD2 3.25Å; F378-F420 HydrophobicContact CD2-CD2 3.25Å; F378-F420 AromaticContact CD2-CE2 3.69Å; F378-F420 HydrophobicContact CD2-CE2 3.69Å; F378-F420 AromaticContact CD2-CG 3.88Å; F378-F420 HydrophobicContact CD2-CG 3.88Å; F378-F420 HydrophobicContact CE2-CB 3.6Å; F378-F420 AromaticContact CE2-CD1 3.95Å; F378-F420 HydrophobicContact CE2-CD1 3.95Å; F378-F420 AromaticContact CE2-CD2 3.21Å; F378-F420 HydrophobicContact CE2-CD2 3.21Å; F378-F420 HydrophobicContact CE2-CE1 4.44Å; F378-F420 AromaticContact CE2-CE2 3.79Å; F378-F420 HydrophobicContact CE2-CE2 3.79Å; F378-F420 AromaticContact CE2-CG 3.32Å; F378-F420 HydrophobicContact CE2-CG 3.32Å; F378-F420 HydrophobicContact CE2-CZ 4.38Å; F378-F420 HydrophobicContact CG-CD2 4.32Å; F378-F420 HydrophobicContact CG-CE2 4.38Å; F378-F420 HydrophobicContact CZ-CD1 4.4Å; F378-F420 HydrophobicContact CZ-CD2 4.23Å; F378-F420 HydrophobicContact CZ-CE2 4.5Å; F378-F420 HydrophobicContact CZ-CG 4.19Å; F378-R421 PolarHBondContact N-O 3.18Å; F378-R423 PolarHBondContact O-N 3.32Å; F378-Y698 HydrophobicContact CE1-CD2 4.31Å; F378-Y698 HydrophobicContact CE1-CE1 4.02Å; F378-Y698 AromaticContact CE1-CE2 3.66Å; F378-Y698 HydrophobicContact CE1-CE2 3.66Å; F378-Y698 AromaticContact CE1-CZ 3.53Å; F378-Y698 HydrophobicContact CZ-CE1 4.41Å; F378-Y698 HydrophobicContact CZ-CE2 4.28Å |
| 379 | Y | 46 | Very low | 52.7 | Low | 122 Ų | 122 | 66.4 Ų | 66.4 | 48% | 0.478 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 116.8 | -179.8 | -78.7 | -87.7 | 0 | 0 | 0 | 110.4 | L377 F425 N442 | L377-Y379 HydrophobicContact CB-CE2 4.29Å; L377-Y379 HydrophobicContact CD2-CE1 4.07Å; L377-Y379 HydrophobicContact CD2-CE2 3.96Å; L377-Y379 WeakPolarHBondContact O-CD2 3.37Å; L377-Y379 PolarHBondContact O-N 2.92Å; Y379-F425 HydrophobicContact CD1-CD2 4.23Å; Y379-F425 AromaticContact CD1-CE2 3.56Å; Y379-F425 HydrophobicContact CD1-CE2 3.56Å; Y379-F425 HydrophobicContact CD1-CZ 4.2Å; Y379-F425 HydrophobicContact CE1-CE2 4.07Å; Y379-F425 HydrophobicContact CE1-CZ 4.32Å; Y379-N442 WeakPolarHBondContact O-CB 3.4Å; Y379-N442 VanDerWaalsContact O-CG 3.31Å; Y379-N442 PolarHBondContact O-ND2 2.87Å |
| 380 | R | 55 | Low | 54.9 | Low | 73 Ų | 73 | 64.6 Ų | 64.6 | 28% | 0.275 | 32% | 0.324 | S | S | . | . | trans | 82 | 111.3 | 160 | -168.9 | 178.1 | -97 | -169.2 | -6 | 114.4 | L382 R423 F425 P428 N442 | R380-L382 HydrophobicContact CG-CD1 3.6Å; R380-R423 PolarHBondContact N-O 3.39Å; R380-F425 HydrophobicContact CB-CB 4.08Å; R380-F425 HydrophobicContact CB-CD2 4.48Å; R380-F425 HydrophobicContact CG-CB 4.12Å; R380-F425 WeakPolarHBondContact CG-O 3.38Å; R380-P428 VanDerWaalsContact NH2-CD 3.35Å; R380-N442 CarbonylContact O-C 3.58Å | ||
| 381 | I | 53.5 | Low | 57.4 | Low | 8 Ų | 8 | 67.4 Ų | 67.4 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | trans | -126.8 | 136 | 179.7 | -59 | -164.4 | 0 | 0 | 0 | 106.1 | L411 Y422 L424 A443 | I381-L411 HydrophobicContact CD1-CD1 3.82Å; I381-L411 HydrophobicContact CD1-CD2 3.07Å; I381-L411 HydrophobicContact CD1-CG 4.06Å; I381-Y422 HydrophobicContact CD1-CD2 4.39Å; I381-L424 HydrophobicContact CB-CD2 3.63Å; I381-L424 HydrophobicContact CD1-CD2 3.53Å; I381-L424 HydrophobicContact CG1-CD2 3.74Å; I381-L424 HydrophobicContact CG2-CD2 4.16Å; I381-A443 WeakPolarHBondContact CB-O 3.14Å; I381-A443 WeakPolarHBondContact CG1-O 3.42Å; I381-A443 WeakPolarHBondContact CG2-O 3.47Å | ||
| 382 | L | 61.5 | Low | 59.7 | Low | 20 Ų | 20 | 63.7 Ų | 63.7 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | trans | -151.6 | 86.3 | -164.6 | -114.9 | 140.6 | 0 | 0 | 0 | 115.7 | R380 F425 P427 Y432 | R380-L382 HydrophobicContact CG-CD1 3.6Å; L382-F425 VanDerWaalsContact CD1-O 3.23Å; L382-F425 WeakPolarHBondContact CD1-O 3.43Å; L382-P427 HydrophobicContact CD1-CB 4.23Å; L382-P427 HydrophobicContact CD1-CG 3.37Å; L382-P427 HydrophobicContact CD2-CG 3.15Å; L382-P427 HydrophobicContact CG-CG 3.73Å; L382-Y432 HydrophobicContact CD2-CD1 4.35Å; L382-Y432 HydrophobicContact CD2-CG 4.28Å | ||
| 383 | I | 59.8 | Low | 62.2 | Low | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | trans | -130.5 | 127.7 | 134.2 | -64.7 | 179.3 | 0 | 0 | 0 | 105.6 | D385 Y388 I389 Y432 P445 L446 | I383-D385 HydrophobicContact CG2-CB 4.15Å; I383-Y388 HydrophobicContact CB-CD2 4.24Å; I383-Y388 HydrophobicContact CB-CG 4.27Å; I383-Y388 HydrophobicContact CD1-CD1 4.38Å; I383-Y388 HydrophobicContact CD1-CD2 3.99Å; I383-Y388 HydrophobicContact CD1-CE2 4.15Å; I383-Y388 HydrophobicContact CD1-CG 4.1Å; I383-Y388 HydrophobicContact CG2-CD2 3.48Å; I383-Y388 VanDerWaalsContact CG2-CD2 3.48Å; I383-Y388 HydrophobicContact CG2-CE2 4.3Å; I383-Y388 HydrophobicContact CG2-CG 3.97Å; I383-I389 WeakPolarHBondContact O-CD1 3.47Å; I383-I389 VanDerWaalsContact O-CG1 3.25Å; I383-I389 WeakPolarHBondContact O-CG1 3.4Å; I383-Y432 HydrophobicContact CG1-CD2 4.13Å; I383-Y432 HydrophobicContact CG1-CE2 3.88Å; I383-Y432 HydrophobicContact CG2-CE2 4.4Å; I383-P445 HydrophobicContact CD1-CB 3.91Å; I383-P445 HydrophobicContact CD1-CG 3.98Å; I383-P445 WeakPolarHBondContact CD1-O 3.44Å; I383-P445 HydrophobicContact CG1-CG 4.35Å; I383-P445 WeakPolarHBondContact CG1-O 3.36Å; I383-L446 HydrophobicContact CG1-CD2 4.5Å | ||
| 384 | S | 63.6 | Low | 64.4 | Low | 58 Ų | 58 | 62.2 Ų | 62.2 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | trans | -91.6 | -11.2 | 177.5 | -171 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 385 | D | 75.8 | Confident | 66.7 | Low | 37 Ų | 37 | 54 Ų | 54 | 20% | 0.198 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -86.8 | 145.9 | -169.7 | -59.2 | -66.5 | 0 | 0 | 0 | 112.6 | I383 Y388 I389 Y432 | I383-D385 HydrophobicContact CG2-CB 4.15Å; D385-Y388 WeakPolarHBondContact O-CB 3.45Å; D385-Y388 WeakPolarHBondContact O-CD2 3.49Å; D385-Y388 PolarHBondContact O-N 3.19Å; D385-I389 CarbonylContact C-O 3.52Å; D385-I389 PolarHBondContact O-N 3.08Å; D385-Y432 PolarHBondContact OD2-OH 3.36Å; D385-Y432 VanDerWaalsContact OD2-OH 3.08Å |
| 386 | P | 78.9 | Confident | 68.5 | Low | 39 Ų | 39 | 62.4 Ų | 62.4 | 25% | 0.253 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 144.3 | 174.3 | 28.9 | -34.8 | 0 | 0 | 0 | 110.6 | V390 H667 | P386-V390 HydrophobicContact CB-CG2 4.23Å; P386-H667 HydrophobicContact CB-CB 4.11Å; P386-H667 HydrophobicContact CG-CB 4.19Å |
| 387 | P | 83 | Confident | 69.9 | Low | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -89.8 | 3 | 8.1 | 34.7 | -34.1 | 0 | 0 | 0 | 114.9 | L406 I663 V724 | P387-L406 WeakPolarHBondContact O-CB 3.38Å; P387-L406 PolarHBondContact O-N 3.38Å; P387-I663 HydrophobicContact CG-CG2 3.81Å; P387-V724 HydrophobicContact CG-CG2 4.15Å |
| 388 | Y | 84.9 | Confident | 71.4 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -43.5 | -175.4 | -54 | -72.6 | 0 | 0 | 0 | 112.1 | I383 D385 G405 L406 A407 P445 F462 M463 Q664 I688 | I383-Y388 HydrophobicContact CB-CD2 4.24Å; I383-Y388 HydrophobicContact CB-CG 4.27Å; I383-Y388 HydrophobicContact CD1-CD1 4.38Å; I383-Y388 HydrophobicContact CD1-CD2 3.99Å; I383-Y388 HydrophobicContact CD1-CE2 4.15Å; I383-Y388 HydrophobicContact CD1-CG 4.1Å; I383-Y388 HydrophobicContact CG2-CD2 3.48Å; I383-Y388 VanDerWaalsContact CG2-CD2 3.48Å; I383-Y388 HydrophobicContact CG2-CE2 4.3Å; I383-Y388 HydrophobicContact CG2-CG 3.97Å; D385-Y388 WeakPolarHBondContact O-CB 3.45Å; D385-Y388 WeakPolarHBondContact O-CD2 3.49Å; D385-Y388 PolarHBondContact O-N 3.19Å; Y388-G405 CarbonylContact O-C 3.57Å; Y388-G405 VanDerWaalsContact O-CA 3.28Å; Y388-G405 WeakPolarHBondContact O-CA 3.15Å; Y388-L406 PolarHBondContact O-N 3.48Å; Y388-A407 WeakPolarHBondContact O-CB 3.13Å; Y388-A407 PolarHBondContact O-N 3.35Å; Y388-A407 VanDerWaalsContact O-N 3.07Å; Y388-P445 HydrophobicContact CD1-CB 4.29Å; Y388-P445 HydrophobicContact CD1-CG 4.17Å; Y388-F462 HydrophobicContact CE1-CZ 4.46Å; Y388-M463 HydrophobicContact CE1-SD 3.85Å; Y388-Q664 HydrophobicContact CE2-CG 4.05Å; Y388-I688 WeakPolarHBondContact OH-CD1 3.23Å |
| 389 | I | 83.1 | Confident | 72.7 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 8% | 0.077 | 33% | 0.331 | C | S | . | . | trans | -134.4 | 125.1 | 169.8 | -59.5 | -174.8 | 0 | 0 | 0 | 107.7 | I383 D385 L400 I408 | I383-I389 WeakPolarHBondContact O-CD1 3.47Å; I383-I389 VanDerWaalsContact O-CG1 3.25Å; I383-I389 WeakPolarHBondContact O-CG1 3.4Å; D385-I389 CarbonylContact C-O 3.52Å; D385-I389 PolarHBondContact O-N 3.08Å; I389-L400 HydrophobicContact CD1-CD2 3.89Å; I389-L400 HydrophobicContact CG2-CD2 3.98Å; I389-I408 HydrophobicContact CD1-CD1 4.27Å; I389-I408 HydrophobicContact CG1-CD1 4.29Å; I389-I408 HydrophobicContact CG1-CG1 4.34Å | ||
| 390 | V | 80.5 | Confident | 74.2 | Confident | 77 Ų | 77 | 61.3 Ų | 61.3 | 47% | 0.467 | 31% | 0.312 | S | S | . | . | trans | -112.9 | -35.5 | -178.1 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | P386 E404 W722 | P386-V390 HydrophobicContact CB-CG2 4.23Å; V390-E404 PolarHBondContact N-O 3.47Å; V390-W722 HydrophobicContact CB-CZ3 3.98Å; V390-W722 HydrophobicContact CG2-CE3 3.92Å; V390-W722 HydrophobicContact CG2-CZ3 3.58Å | ||
| 391 | R | 79.5 | Confident | 75.4 | Confident | 167 Ų | 167 | 61.1 Ų | 61.1 | 63% | 0.63 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 152.5 | -179.8 | -64.8 | -179 | 179 | 152.1 | -3.2 | 110.8 | A403 E404 | R391-A403 CarbonylContact O-C 3.6Å; R391-A403 WeakPolarHBondContact O-CA 3.39Å; R391-E404 HydrophobicContact CB-CB 4.29Å; R391-E404 WeakPolarHBondContact CD-OE2 3.31Å; R391-E404 PolarHBondContact N-O 3.04Å; R391-E404 IonicContact NH1-OE2 2.74Å; R391-E404 PolarHBondContact NH1-OE2 3.14Å; R391-E404 PolarHBondContact O-N 3.06Å |
| 392 | G | 81.5 | Confident | 76.7 | Confident | 37 Ų | 37 | 67 Ų | 67 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.3 | 154.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L401 | G392-L401 WeakPolarHBondContact CA-O 3.48Å |
| 393 | E | 80.2 | Confident | 77.8 | Confident | 134 Ų | 134 | 66.9 Ų | 66.9 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.3 | 177 | -68.7 | -179.9 | -175.7 | 0 | 0 | 109.9 | L401 | E393-L401 PolarHBondContact N-O 3.26Å; E393-L401 PolarHBondContact O-N 3.3Å |
| 394 | I | 78.7 | Confident | 79 | Confident | 112 Ų | 112 | 71 Ų | 71 | 57% | 0.574 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 117.1 | 179.5 | -53 | 171.2 | 0 | 0 | 0 | 108.5 | L400 L426 | I394-L400 HydrophobicContact CG1-CD1 3.8Å; I394-L426 HydrophobicContact CB-CD1 4.37Å; I394-L426 HydrophobicContact CD1-CD1 3.63Å; I394-L426 HydrophobicContact CG1-CD1 3.61Å; I394-L426 HydrophobicContact CG2-CD1 3.89Å |
| 395 | T | 80.5 | Confident | 80.2 | Confident | 45 Ų | 45 | 68.2 Ų | 68.2 | 28% | 0.276 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 168.3 | 172.4 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | D397 N398 E399 L401 | T395-D397 PolarHBondContact O-N 2.89Å; T395-D397 VanDerWaalsContact O-N 3.14Å; T395-N398 PolarHBondContact O-N 3.07Å; T395-E399 PolarHBondContact N-O 3.14Å; T395-E399 WeakPolarHBondContact OG1-CA 3.31Å; T395-E399 VanDerWaalsContact OG1-CB 3.25Å; T395-E399 WeakPolarHBondContact OG1-CB 3.19Å; T395-E399 PolarHBondContact OG1-N 3.2Å; T395-E399 PolarHBondContact OG1-O 2.8Å; T395-L401 HydrophobicContact CG2-CD1 3.45Å; T395-L401 VanDerWaalsContact CG2-CD1 3.45Å; T395-L401 HydrophobicContact CG2-CG 4.01Å |
| 396 | K | 75.1 | Confident | 80.8 | Confident | 208 Ų | 208 | 66.5 Ų | 66.5 | 90% | 0.904 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.9 | 179.1 | -67.6 | -175.8 | 179.3 | 179.8 | 0 | 114 | N398 | K396-N398 VanDerWaalsContact C-N 3.26Å; K396-N398 PolarHBondContact O-N 2.91Å |
| 397 | D | 73.1 | Confident | 81.2 | Confident | 131 Ų | 131 | 64.8 Ų | 64.8 | 70% | 0.701 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 16.5 | 178.9 | -60 | -37.5 | 0 | 0 | 0 | 112.4 | T395 E399 | T395-D397 PolarHBondContact O-N 2.89Å; T395-D397 VanDerWaalsContact O-N 3.14Å; D397-E399 PolarHBondContact O-N 2.83Å; D397-E399 VanDerWaalsContact O-N 3.16Å |
| 398 | N | 74.4 | Confident | 81.4 | Confident | 64 Ų | 64 | 64.9 Ų | 64.9 | 34% | 0.342 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 57.9 | 18.7 | -173.1 | -63.9 | -16.8 | 0 | 0 | 0 | 113.9 | T395 K396 F425 L426 | T395-N398 PolarHBondContact O-N 3.07Å; K396-N398 VanDerWaalsContact C-N 3.26Å; K396-N398 PolarHBondContact O-N 2.91Å; N398-F425 CarbonylContact O-C 3.48Å; N398-F425 WeakPolarHBondContact O-CA 3.31Å; N398-L426 HydrophobicContact CB-CB 4.36Å; N398-L426 PolarHBondContact O-N 3.29Å |
| 399 | E | 77.6 | Confident | 81.6 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 131 | 172.6 | -168.4 | 179.3 | 175.2 | 0 | 0 | 109.2 | T395 D397 L401 R423 L424 F425 | T395-E399 PolarHBondContact N-O 3.14Å; T395-E399 WeakPolarHBondContact OG1-CA 3.31Å; T395-E399 VanDerWaalsContact OG1-CB 3.25Å; T395-E399 WeakPolarHBondContact OG1-CB 3.19Å; T395-E399 PolarHBondContact OG1-N 3.2Å; T395-E399 PolarHBondContact OG1-O 2.8Å; D397-E399 PolarHBondContact O-N 2.83Å; D397-E399 VanDerWaalsContact O-N 3.16Å; E399-L401 HydrophobicContact CG-CD2 4.3Å; E399-R423 VanDerWaalsContact OE1-CD 3.24Å; E399-R423 WeakPolarHBondContact OE1-CD 3.37Å; E399-R423 IonicContact OE1-NE 3.96Å; E399-L424 CarbonylContact C-O 3.47Å; E399-L424 VanDerWaalsContact CA-O 3.29Å; E399-L424 WeakPolarHBondContact CA-O 3.37Å; E399-L424 WeakPolarHBondContact CG-O 3.5Å; E399-F425 HydrophobicContact CB-CD1 3.89Å; E399-F425 HydrophobicContact CB-CE1 3.7Å; E399-F425 HydrophobicContact CB-CZ 4.47Å; E399-F425 HydrophobicContact CG-CD1 4.24Å; E399-F425 HydrophobicContact CG-CE1 3.88Å; E399-F425 HydrophobicContact CG-CZ 4.17Å |
| 400 | L | 77.6 | Confident | 81.9 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 110.5 | 178.9 | -172.3 | 74.4 | 0 | 0 | 0 | 109.2 | I389 I394 A403 L424 L426 | I389-L400 HydrophobicContact CD1-CD2 3.89Å; I389-L400 HydrophobicContact CG2-CD2 3.98Å; I394-L400 HydrophobicContact CG1-CD1 3.8Å; L400-A403 HydrophobicContact CD2-CB 3.63Å; L400-A403 HydrophobicContact CG-CB 3.99Å; L400-L424 HydrophobicContact CB-CB 3.87Å; L400-L424 HydrophobicContact CD2-CD1 4.3Å; L400-L424 PolarHBondContact N-O 2.97Å; L400-L426 HydrophobicContact CD1-CD1 4.29Å |
| 401 | L | 80.2 | Confident | 82.1 | Confident | 69 Ų | 69 | 61.9 Ų | 61.9 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 151.5 | 179.3 | -63.3 | 177.4 | 0 | 0 | 0 | 111.1 | G392 E393 T395 E399 A403 | G392-L401 WeakPolarHBondContact CA-O 3.48Å; E393-L401 PolarHBondContact N-O 3.26Å; E393-L401 PolarHBondContact O-N 3.3Å; T395-L401 HydrophobicContact CG2-CD1 3.45Å; T395-L401 VanDerWaalsContact CG2-CD1 3.45Å; T395-L401 HydrophobicContact CG2-CG 4.01Å; E399-L401 HydrophobicContact CG-CD2 4.3Å; L401-A403 PolarHBondContact O-N 2.99Å |
| 402 | N | 81.9 | Confident | 82.4 | Confident | 133 Ų | 133 | 57.1 Ų | 57.1 | 71% | 0.711 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.8 | 42.9 | 177.9 | -59.2 | -27.5 | 0 | 0 | 0 | 113.1 | ||
| 403 | A | 83.2 | Confident | 82.6 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 13% | 0.132 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 139.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.2 | R391 L400 L401 I408 L424 | R391-A403 CarbonylContact O-C 3.6Å; R391-A403 WeakPolarHBondContact O-CA 3.39Å; L400-A403 HydrophobicContact CD2-CB 3.63Å; L400-A403 HydrophobicContact CG-CB 3.99Å; L401-A403 PolarHBondContact O-N 2.99Å; A403-I408 HydrophobicContact CB-CD1 4.09Å; A403-I408 HydrophobicContact CB-CG1 3.97Å; A403-I408 WeakPolarHBondContact O-CG2 3.4Å; A403-L424 HydrophobicContact CB-CD1 3.43Å; A403-L424 VanDerWaalsContact CB-CD1 3.43Å |
| 404 | E | 86.5 | Confident | 82.7 | Confident | 93 Ų | 93 | 50.9 Ų | 50.9 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.9 | 171.8 | -57.5 | -177.6 | 155.5 | 0 | 0 | 109 | V390 R391 W722 | V390-E404 PolarHBondContact N-O 3.47Å; R391-E404 HydrophobicContact CB-CB 4.29Å; R391-E404 WeakPolarHBondContact CD-OE2 3.31Å; R391-E404 PolarHBondContact N-O 3.04Å; R391-E404 IonicContact NH1-OE2 2.74Å; R391-E404 PolarHBondContact NH1-OE2 3.14Å; R391-E404 PolarHBondContact O-N 3.06Å; E404-W722 HydrophobicContact CB-CH2 4Å |
| 405 | G | 88.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 168.4 | 170.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y388 A407 I408 D409 W722 | Y388-G405 CarbonylContact O-C 3.57Å; Y388-G405 VanDerWaalsContact O-CA 3.28Å; Y388-G405 WeakPolarHBondContact O-CA 3.15Å; G405-A407 VanDerWaalsContact C-N 3.29Å; G405-A407 PolarHBondContact O-N 2.9Å; G405-I408 PolarHBondContact O-N 2.93Å; G405-I408 VanDerWaalsContact O-N 3.1Å; G405-D409 PolarHBondContact O-N 3.5Å; G405-W722 VanDerWaalsContact C-CZ2 3.4Å; G405-W722 VanDerWaalsContact N-CH2 3.33Å; G405-W722 VanDerWaalsContact N-CZ2 3.29Å |
| 406 | L | 88.7 | Confident | 82.6 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.6 | -44.3 | 179.6 | 175.7 | 65.9 | 0 | 0 | 0 | 111.7 | P387 Y388 I408 D409 I410 F462 M463 L718 L719 W722 V724 | P387-L406 WeakPolarHBondContact O-CB 3.38Å; P387-L406 PolarHBondContact O-N 3.38Å; Y388-L406 PolarHBondContact O-N 3.48Å; L406-I408 VanDerWaalsContact C-N 3.27Å; L406-I408 PolarHBondContact O-N 2.76Å; L406-D409 PolarHBondContact O-N 2.9Å; L406-I410 HydrophobicContact CD1-CD1 4.06Å; L406-I410 HydrophobicContact CD1-CG1 4.49Å; L406-I410 HydrophobicContact CG-CD1 4.09Å; L406-I410 WeakPolarHBondContact O-CG1 3.37Å; L406-I410 PolarHBondContact O-N 3.25Å; L406-I410 VanDerWaalsContact O-N 3.13Å; L406-F462 HydrophobicContact CD2-CE2 4.22Å; L406-M463 HydrophobicContact CD2-SD 4.24Å; L406-L718 HydrophobicContact CD1-CB 3.93Å; L406-L719 HydrophobicContact CD1-CD2 4.23Å; L406-L719 HydrophobicContact CD2-CD2 3.85Å; L406-W722 HydrophobicContact CB-CB 4.37Å; L406-W722 HydrophobicContact CB-CG 3.99Å; L406-W722 HydrophobicContact CD1-CG 4.47Å; L406-V724 HydrophobicContact CD2-CG2 3.9Å |
| 407 | A | 86.6 | Confident | 82.5 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.7 | -36 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y388 G405 L411 P445 F690 | Y388-A407 WeakPolarHBondContact O-CB 3.13Å; Y388-A407 PolarHBondContact O-N 3.35Å; Y388-A407 VanDerWaalsContact O-N 3.07Å; G405-A407 VanDerWaalsContact C-N 3.29Å; G405-A407 PolarHBondContact O-N 2.9Å; A407-L411 WeakPolarHBondContact O-CB 3.5Å; A407-L411 PolarHBondContact O-N 3.21Å; A407-P445 HydrophobicContact CB-CG 3.52Å; A407-F690 HydrophobicContact CB-CZ 4.28Å |
| 408 | I | 87.3 | Confident | 82.4 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.6 | -39.6 | -179 | -52.7 | -54.3 | 0 | 0 | 0 | 111.2 | I389 A403 G405 L406 L411 N412 L424 | I389-I408 HydrophobicContact CD1-CD1 4.27Å; I389-I408 HydrophobicContact CG1-CD1 4.29Å; I389-I408 HydrophobicContact CG1-CG1 4.34Å; A403-I408 HydrophobicContact CB-CD1 4.09Å; A403-I408 HydrophobicContact CB-CG1 3.97Å; A403-I408 WeakPolarHBondContact O-CG2 3.4Å; G405-I408 PolarHBondContact O-N 2.93Å; G405-I408 VanDerWaalsContact O-N 3.1Å; L406-I408 VanDerWaalsContact C-N 3.27Å; L406-I408 PolarHBondContact O-N 2.76Å; I408-L411 PolarHBondContact O-N 3.14Å; I408-N412 WeakPolarHBondContact O-CB 3.37Å; I408-N412 PolarHBondContact O-N 3.23Å; I408-N412 PolarHBondContact O-ND2 3.37Å; I408-L424 HydrophobicContact CD1-CD1 3.64Å; I408-L424 HydrophobicContact CD1-CD2 4.06Å |
| 409 | D | 89.7 | Confident | 82.3 | Confident | 27 Ų | 27 | 46.3 Ų | 46.3 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 175.8 | -79 | -14.6 | 0 | 0 | 0 | 111.8 | G405 L406 L411 N412 E413 L718 K721 W722 | G405-D409 PolarHBondContact O-N 3.5Å; L406-D409 PolarHBondContact O-N 2.9Å; D409-L411 VanDerWaalsContact C-N 3.29Å; D409-L411 PolarHBondContact O-N 3.3Å; D409-N412 WeakPolarHBondContact O-CB 3.36Å; D409-N412 PolarHBondContact O-N 3.34Å; D409-E413 PolarHBondContact O-N 2.95Å; D409-L718 HydrophobicContact CB-CD1 4.28Å; D409-L718 HydrophobicContact CB-CD2 3.81Å; D409-K721 IonicContact OD1-NZ 3.56Å; D409-K721 IonicContact OD2-NZ 2.96Å; D409-K721 PolarHBondContact OD2-NZ 3.05Å; D409-W722 PolarHBondContact OD2-NE1 2.79Å |
| 410 | I | 88.4 | Confident | 82 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.6 | -64.2 | 168.6 | 0 | 0 | 0 | 110.4 | L406 E413 F414 F462 F690 M706 I715 L718 | L406-I410 HydrophobicContact CD1-CD1 4.06Å; L406-I410 HydrophobicContact CD1-CG1 4.49Å; L406-I410 HydrophobicContact CG-CD1 4.09Å; L406-I410 WeakPolarHBondContact O-CG1 3.37Å; L406-I410 PolarHBondContact O-N 3.25Å; L406-I410 VanDerWaalsContact O-N 3.13Å; I410-E413 WeakPolarHBondContact O-CB 3.48Å; I410-E413 PolarHBondContact O-N 2.7Å; I410-F414 HydrophobicContact CG2-CD2 4.05Å; I410-F414 HydrophobicContact CG2-CE2 3.65Å; I410-F414 HydrophobicContact CG2-CZ 4.42Å; I410-F414 WeakPolarHBondContact O-CD2 3.37Å; I410-F414 PolarHBondContact O-N 2.65Å; I410-F462 HydrophobicContact CD1-CD2 3.67Å; I410-F462 HydrophobicContact CD1-CE2 3.74Å; I410-F462 HydrophobicContact CD1-CG 4.21Å; I410-F462 HydrophobicContact CD1-CZ 4.34Å; I410-F690 HydrophobicContact CB-CE2 3.82Å; I410-F690 HydrophobicContact CB-CZ 3.86Å; I410-F690 HydrophobicContact CD1-CE2 3.86Å; I410-F690 HydrophobicContact CD1-CZ 4.43Å; I410-F690 HydrophobicContact CG1-CE2 4.44Å; I410-F690 HydrophobicContact CG2-CD2 4.1Å; I410-F690 HydrophobicContact CG2-CE2 3.37Å; I410-F690 HydrophobicContact CG2-CZ 3.76Å; I410-M706 HydrophobicContact CG2-CE 3.82Å; I410-I715 HydrophobicContact CD1-CD1 4.42Å; I410-I715 HydrophobicContact CG1-CD1 4.26Å; I410-L718 HydrophobicContact CG1-CD1 3.74Å |
| 411 | L | 85 | Confident | 81.6 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.2 | -36.1 | 176.5 | -175.3 | 72.6 | 0 | 0 | 0 | 113 | I381 A407 I408 D409 E413 F414 A415 F420 Y422 L424 | I381-L411 HydrophobicContact CD1-CD1 3.82Å; I381-L411 HydrophobicContact CD1-CD2 3.07Å; I381-L411 HydrophobicContact CD1-CG 4.06Å; A407-L411 WeakPolarHBondContact O-CB 3.5Å; A407-L411 PolarHBondContact O-N 3.21Å; I408-L411 PolarHBondContact O-N 3.14Å; D409-L411 VanDerWaalsContact C-N 3.29Å; D409-L411 PolarHBondContact O-N 3.3Å; L411-E413 VanDerWaalsContact C-N 3.32Å; L411-F414 WeakPolarHBondContact O-CB 3.24Å; L411-F414 PolarHBondContact O-N 3.19Å; L411-A415 WeakPolarHBondContact O-CB 3.02Å; L411-A415 PolarHBondContact O-N 3.2Å; L411-F420 HydrophobicContact CD1-CE2 4.31Å; L411-F420 HydrophobicContact CD1-CZ 4.22Å; L411-Y422 HydrophobicContact CD1-CD1 4.49Å; L411-Y422 HydrophobicContact CD2-CD1 3.74Å; L411-Y422 HydrophobicContact CD2-CD2 3.43Å; L411-Y422 VanDerWaalsContact CD2-CD2 3.43Å; L411-Y422 HydrophobicContact CD2-CE1 3.65Å; L411-Y422 HydrophobicContact CD2-CE2 3.33Å; L411-Y422 HydrophobicContact CD2-CG 3.63Å; L411-Y422 VanDerWaalsContact CD2-CZ 3.43Å; L411-Y422 HydrophobicContact CG-CD1 3.81Å; L411-Y422 HydrophobicContact CG-CD2 4.39Å; L411-Y422 HydrophobicContact CG-CE1 3.71Å; L411-Y422 HydrophobicContact CG-CE2 4.31Å; L411-Y422 HydrophobicContact CG-CG 4.15Å; L411-L424 HydrophobicContact CD2-CD2 4.18Å |
| 412 | N | 86.7 | Confident | 81.4 | Confident | 68 Ų | 68 | 52.6 Ų | 52.6 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.6 | -37.6 | 173.3 | -77.8 | -28.2 | 0 | 0 | 0 | 111.5 | I408 D409 A415 R416 Y422 | I408-N412 WeakPolarHBondContact O-CB 3.37Å; I408-N412 PolarHBondContact O-N 3.23Å; I408-N412 PolarHBondContact O-ND2 3.37Å; D409-N412 WeakPolarHBondContact O-CB 3.36Å; D409-N412 PolarHBondContact O-N 3.34Å; N412-A415 PolarHBondContact O-N 3.43Å; N412-R416 VanDerWaalsContact O-CB 3.24Å; N412-R416 WeakPolarHBondContact O-CB 3.44Å; N412-R416 PolarHBondContact O-N 3.34Å; N412-Y422 PolarHBondContact OD1-OH 3.43Å |
| 413 | E | 85.3 | Confident | 81 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 172.4 | -77 | -60 | 149.2 | 0 | 0 | 112 | D409 I410 L411 R416 R417 L709 | D409-E413 PolarHBondContact O-N 2.95Å; I410-E413 WeakPolarHBondContact O-CB 3.48Å; I410-E413 PolarHBondContact O-N 2.7Å; L411-E413 VanDerWaalsContact C-N 3.32Å; E413-R416 IonicContact OE1-CZ 3.76Å; E413-R416 IonicContact OE1-NE 3.92Å; E413-R416 IonicContact OE1-NH2 2.71Å; E413-R416 PolarHBondContact OE1-NH2 3.2Å; E413-R416 IonicContact OE2-CZ 3.01Å; E413-R416 IonicContact OE2-NE 2.96Å; E413-R416 IonicContact OE2-NH2 2.72Å; E413-R416 PolarHBondContact OE2-NH2 3.4Å; E413-R417 WeakPolarHBondContact O-CG 3.41Å; E413-R417 PolarHBondContact O-N 3.2Å; E413-R417 IonicContact OE2-NE 3.88Å; E413-L709 HydrophobicContact CB-CD1 4.24Å; E413-L709 HydrophobicContact CB-CD2 4.36Å |
| 414 | F | 81.6 | Confident | 80.7 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -50.9 | 171.6 | -73.1 | -51.1 | 0 | 0 | 0 | 111.8 | I410 L411 R416 R417 L418 F420 V459 F690 M702 F705 M706 L709 | I410-F414 HydrophobicContact CG2-CD2 4.05Å; I410-F414 HydrophobicContact CG2-CE2 3.65Å; I410-F414 HydrophobicContact CG2-CZ 4.42Å; I410-F414 WeakPolarHBondContact O-CD2 3.37Å; I410-F414 PolarHBondContact O-N 2.65Å; L411-F414 WeakPolarHBondContact O-CB 3.24Å; L411-F414 PolarHBondContact O-N 3.19Å; F414-R416 VanDerWaalsContact C-N 3.31Å; F414-R416 PolarHBondContact O-N 2.92Å; F414-R417 PolarHBondContact O-N 3.4Å; F414-L418 HydrophobicContact CB-CD1 4.44Å; F414-L418 HydrophobicContact CD1-CD1 4.35Å; F414-L418 VanDerWaalsContact O-CB 3.28Å; F414-L418 WeakPolarHBondContact O-CB 3.3Å; F414-L418 PolarHBondContact O-N 2.84Å; F414-F420 VanDerWaalsContact C-CE1 3.45Å; F414-F420 HydrophobicContact CB-CE1 3.84Å; F414-F420 HydrophobicContact CB-CZ 3.77Å; F414-F420 WeakPolarHBondContact O-CE1 3.31Å; F414-V459 HydrophobicContact CZ-CG1 3.86Å; F414-F690 HydrophobicContact CE2-CD2 4.44Å; F414-F690 HydrophobicContact CE2-CG 4.5Å; F414-M702 HydrophobicContact CD1-CE 4.39Å; F414-M702 HydrophobicContact CD2-CE 3.82Å; F414-M702 HydrophobicContact CE1-CB 4.43Å; F414-M702 HydrophobicContact CE2-CE 3.93Å; F414-M702 HydrophobicContact CG-CE 4.06Å; F414-M702 HydrophobicContact CZ-CE 4.28Å; F414-F705 HydrophobicContact CD1-CB 4.42Å; F414-F705 HydrophobicContact CE1-CB 4.09Å; F414-M706 HydrophobicContact CE1-CB 4.44Å; F414-M706 HydrophobicContact CE2-CE 3.64Å; F414-M706 HydrophobicContact CZ-CB 4.1Å; F414-M706 HydrophobicContact CZ-CE 3.41Å; F414-M706 VanDerWaalsContact CZ-CE 3.41Å; F414-M706 HydrophobicContact CZ-SD 4.07Å; F414-L709 HydrophobicContact CE1-CD1 4.23Å |
| 415 | A | 79.6 | Confident | 80.1 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -39.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L411 N412 E419 F420 Y422 | L411-A415 WeakPolarHBondContact O-CB 3.02Å; L411-A415 PolarHBondContact O-N 3.2Å; N412-A415 PolarHBondContact O-N 3.43Å; A415-E419 VanDerWaalsContact O-CA 3.3Å; A415-E419 WeakPolarHBondContact O-CA 3.28Å; A415-E419 PolarHBondContact O-N 3.44Å; A415-F420 HydrophobicContact CB-CD2 4.12Å; A415-F420 HydrophobicContact CB-CE1 4.37Å; A415-F420 HydrophobicContact CB-CE2 3.83Å; A415-F420 HydrophobicContact CB-CZ 3.96Å; A415-F420 PolarHBondContact O-N 3.26Å; A415-Y422 HydrophobicContact CB-CD1 4.04Å; A415-Y422 HydrophobicContact CB-CE1 4.01Å |
| 416 | R | 78.4 | Confident | 79.4 | Confident | 167 Ų | 167 | 49.6 Ų | 49.6 | 63% | 0.63 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -66.5 | -38.5 | 178 | -175.5 | 175.5 | 67.5 | 160 | -2.5 | 112.5 | N412 E413 F414 | N412-R416 VanDerWaalsContact O-CB 3.24Å; N412-R416 WeakPolarHBondContact O-CB 3.44Å; N412-R416 PolarHBondContact O-N 3.34Å; E413-R416 IonicContact OE1-CZ 3.76Å; E413-R416 IonicContact OE1-NE 3.92Å; E413-R416 IonicContact OE1-NH2 2.71Å; E413-R416 PolarHBondContact OE1-NH2 3.2Å; E413-R416 IonicContact OE2-CZ 3.01Å; E413-R416 IonicContact OE2-NE 2.96Å; E413-R416 IonicContact OE2-NH2 2.72Å; E413-R416 PolarHBondContact OE2-NH2 3.4Å; F414-R416 VanDerWaalsContact C-N 3.31Å; F414-R416 PolarHBondContact O-N 2.92Å |
| 417 | R | 72.4 | Confident | 78.4 | Confident | 64 Ų | 64 | 50.3 Ų | 50.3 | 24% | 0.242 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -87.3 | -34.9 | -175.6 | -69.3 | -173.6 | -176.4 | -170.9 | 2.7 | 113.9 | E413 F414 L709 | E413-R417 WeakPolarHBondContact O-CG 3.41Å; E413-R417 PolarHBondContact O-N 3.2Å; E413-R417 IonicContact OE2-NE 3.88Å; F414-R417 PolarHBondContact O-N 3.4Å; R417-L709 VanDerWaalsContact CZ-CD2 3.45Å |
| 418 | L | 71 | Confident | 77.3 | Confident | 43 Ų | 43 | 55.1 Ų | 55.1 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -93.1 | 0.7 | 179.1 | -71.4 | 167.1 | 0 | 0 | 0 | 112.6 | F414 F420 L701 M702 F705 | F414-L418 HydrophobicContact CB-CD1 4.44Å; F414-L418 HydrophobicContact CD1-CD1 4.35Å; F414-L418 VanDerWaalsContact O-CB 3.28Å; F414-L418 WeakPolarHBondContact O-CB 3.3Å; F414-L418 PolarHBondContact O-N 2.84Å; L418-F420 VanDerWaalsContact C-N 3.32Å; L418-F420 HydrophobicContact CB-CD1 3.48Å; L418-F420 VanDerWaalsContact CB-CD1 3.48Å; L418-F420 HydrophobicContact CB-CE1 3.76Å; L418-F420 HydrophobicContact CD1-CD1 4.31Å; L418-F420 HydrophobicContact CD1-CE1 3.86Å; L418-F420 HydrophobicContact CG-CE1 4.43Å; L418-F420 PolarHBondContact O-N 3.38Å; L418-L701 HydrophobicContact CD2-CD2 3.37Å; L418-L701 HydrophobicContact CD2-CG 3.83Å; L418-M702 HydrophobicContact CD1-CG 3.63Å; L418-F705 HydrophobicContact CD1-CD2 4.24Å; L418-F705 HydrophobicContact CD2-CD2 3.74Å; L418-F705 HydrophobicContact CD2-CE2 3.28Å; L418-F705 HydrophobicContact CD2-CZ 4.22Å; L418-F705 HydrophobicContact CG-CD2 4.01Å; L418-F705 HydrophobicContact CG-CE2 3.89Å |
| 419 | E | 71.7 | Confident | 76.2 | Confident | 178 Ų | 178 | 59.1 Ų | 59.1 | 83% | 0.832 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 40.3 | 177.5 | -59.2 | -173.4 | 173.4 | 0 | 0 | 114.5 | A415 | A415-E419 VanDerWaalsContact O-CA 3.3Å; A415-E419 WeakPolarHBondContact O-CA 3.28Å; A415-E419 PolarHBondContact O-N 3.44Å |
| 420 | F | 71.7 | Confident | 74.9 | Confident | 25 Ų | 25 | 60 Ų | 60 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | trans | -109.9 | 168.4 | 176.9 | 71.5 | -100.8 | 0 | 0 | 0 | 113.8 | F378 L411 F414 A415 L418 Y422 | F378-F420 HydrophobicContact CD2-CB 4.26Å; F378-F420 AromaticContact CD2-CD2 3.25Å; F378-F420 HydrophobicContact CD2-CD2 3.25Å; F378-F420 AromaticContact CD2-CE2 3.69Å; F378-F420 HydrophobicContact CD2-CE2 3.69Å; F378-F420 AromaticContact CD2-CG 3.88Å; F378-F420 HydrophobicContact CD2-CG 3.88Å; F378-F420 HydrophobicContact CE2-CB 3.6Å; F378-F420 AromaticContact CE2-CD1 3.95Å; F378-F420 HydrophobicContact CE2-CD1 3.95Å; F378-F420 AromaticContact CE2-CD2 3.21Å; F378-F420 HydrophobicContact CE2-CD2 3.21Å; F378-F420 HydrophobicContact CE2-CE1 4.44Å; F378-F420 AromaticContact CE2-CE2 3.79Å; F378-F420 HydrophobicContact CE2-CE2 3.79Å; F378-F420 AromaticContact CE2-CG 3.32Å; F378-F420 HydrophobicContact CE2-CG 3.32Å; F378-F420 HydrophobicContact CE2-CZ 4.38Å; F378-F420 HydrophobicContact CG-CD2 4.32Å; F378-F420 HydrophobicContact CG-CE2 4.38Å; F378-F420 HydrophobicContact CZ-CD1 4.4Å; F378-F420 HydrophobicContact CZ-CD2 4.23Å; F378-F420 HydrophobicContact CZ-CE2 4.5Å; F378-F420 HydrophobicContact CZ-CG 4.19Å; L411-F420 HydrophobicContact CD1-CE2 4.31Å; L411-F420 HydrophobicContact CD1-CZ 4.22Å; F414-F420 VanDerWaalsContact C-CE1 3.45Å; F414-F420 HydrophobicContact CB-CE1 3.84Å; F414-F420 HydrophobicContact CB-CZ 3.77Å; F414-F420 WeakPolarHBondContact O-CE1 3.31Å; A415-F420 HydrophobicContact CB-CD2 4.12Å; A415-F420 HydrophobicContact CB-CE1 4.37Å; A415-F420 HydrophobicContact CB-CE2 3.83Å; A415-F420 HydrophobicContact CB-CZ 3.96Å; A415-F420 PolarHBondContact O-N 3.26Å; L418-F420 VanDerWaalsContact C-N 3.32Å; L418-F420 HydrophobicContact CB-CD1 3.48Å; L418-F420 VanDerWaalsContact CB-CD1 3.48Å; L418-F420 HydrophobicContact CB-CE1 3.76Å; L418-F420 HydrophobicContact CD1-CD1 4.31Å; L418-F420 HydrophobicContact CD1-CE1 3.86Å; L418-F420 HydrophobicContact CG-CE1 4.43Å; L418-F420 PolarHBondContact O-N 3.38Å; F420-Y422 HydrophobicContact CD2-CD1 4.49Å; F420-Y422 AromaticContact CE2-CD1 3.97Å; F420-Y422 HydrophobicContact CE2-CD1 3.97Å | ||
| 421 | R | 70 | Confident | 73.7 | Confident | 179 Ų | 179 | 63.4 Ų | 63.4 | 68% | 0.675 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.4 | 174.3 | -64.1 | -176.8 | -179.4 | -178.5 | -0.1 | 109.8 | L377 F378 | L377-R421 WeakPolarHBondContact CA-O 3.22Å; F378-R421 PolarHBondContact N-O 3.18Å |
| 422 | Y | 75.6 | Confident | 72.8 | Confident | 51 Ų | 51 | 66 Ų | 66 | 20% | 0.2 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 158.2 | 179.7 | 63.3 | -94.4 | 0 | 0 | 0 | 111 | I381 L411 N412 A415 F420 L424 | I381-Y422 HydrophobicContact CD1-CD2 4.39Å; L411-Y422 HydrophobicContact CD1-CD1 4.49Å; L411-Y422 HydrophobicContact CD2-CD1 3.74Å; L411-Y422 HydrophobicContact CD2-CD2 3.43Å; L411-Y422 VanDerWaalsContact CD2-CD2 3.43Å; L411-Y422 HydrophobicContact CD2-CE1 3.65Å; L411-Y422 HydrophobicContact CD2-CE2 3.33Å; L411-Y422 HydrophobicContact CD2-CG 3.63Å; L411-Y422 VanDerWaalsContact CD2-CZ 3.43Å; L411-Y422 HydrophobicContact CG-CD1 3.81Å; L411-Y422 HydrophobicContact CG-CD2 4.39Å; L411-Y422 HydrophobicContact CG-CE1 3.71Å; L411-Y422 HydrophobicContact CG-CE2 4.31Å; L411-Y422 HydrophobicContact CG-CG 4.15Å; N412-Y422 PolarHBondContact OD1-OH 3.43Å; A415-Y422 HydrophobicContact CB-CD1 4.04Å; A415-Y422 HydrophobicContact CB-CE1 4.01Å; F420-Y422 HydrophobicContact CD2-CD1 4.49Å; F420-Y422 AromaticContact CE2-CD1 3.97Å; F420-Y422 HydrophobicContact CE2-CD1 3.97Å; Y422-L424 HydrophobicContact CD2-CD2 3.73Å; Y422-L424 HydrophobicContact CD2-CG 4Å; Y422-L424 HydrophobicContact CE2-CD1 4.15Å; Y422-L424 HydrophobicContact CE2-CD2 3.76Å; Y422-L424 HydrophobicContact CE2-CG 3.88Å |
| 423 | R | 72.6 | Confident | 71.7 | Confident | 109 Ų | 109 | 63 Ų | 63 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.2 | 168.7 | -73.4 | -171.4 | -171.8 | 168.6 | 6.9 | 110 | L377 F378 R380 E399 F425 | L377-R423 HydrophobicContact CD1-CG 3.98Å; L377-R423 HydrophobicContact CD2-CG 4Å; L377-R423 HydrophobicContact CG-CB 4.45Å; L377-R423 HydrophobicContact CG-CG 3.89Å; F378-R423 PolarHBondContact O-N 3.32Å; R380-R423 PolarHBondContact N-O 3.39Å; E399-R423 VanDerWaalsContact OE1-CD 3.24Å; E399-R423 WeakPolarHBondContact OE1-CD 3.37Å; E399-R423 IonicContact OE1-NE 3.96Å; R423-F425 HydrophobicContact CB-CD2 4.32Å; R423-F425 HydrophobicContact CB-CE2 3.57Å; R423-F425 HydrophobicContact CB-CZ 4.14Å |
| 424 | L | 77.9 | Confident | 70.6 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 129.7 | -176 | -55.1 | 173.1 | 0 | 0 | 0 | 108.8 | I381 E399 L400 A403 I408 L411 Y422 | I381-L424 HydrophobicContact CB-CD2 3.63Å; I381-L424 HydrophobicContact CD1-CD2 3.53Å; I381-L424 HydrophobicContact CG1-CD2 3.74Å; I381-L424 HydrophobicContact CG2-CD2 4.16Å; E399-L424 CarbonylContact C-O 3.47Å; E399-L424 VanDerWaalsContact CA-O 3.29Å; E399-L424 WeakPolarHBondContact CA-O 3.37Å; E399-L424 WeakPolarHBondContact CG-O 3.5Å; L400-L424 HydrophobicContact CB-CB 3.87Å; L400-L424 HydrophobicContact CD2-CD1 4.3Å; L400-L424 PolarHBondContact N-O 2.97Å; A403-L424 HydrophobicContact CB-CD1 3.43Å; A403-L424 VanDerWaalsContact CB-CD1 3.43Å; I408-L424 HydrophobicContact CD1-CD1 3.64Å; I408-L424 HydrophobicContact CD1-CD2 4.06Å; L411-L424 HydrophobicContact CD2-CD2 4.18Å; Y422-L424 HydrophobicContact CD2-CD2 3.73Å; Y422-L424 HydrophobicContact CD2-CG 4Å; Y422-L424 HydrophobicContact CE2-CD1 4.15Å; Y422-L424 HydrophobicContact CE2-CD2 3.76Å; Y422-L424 HydrophobicContact CE2-CG 3.88Å |
| 425 | F | 73.5 | Confident | 69.6 | Low | 34 Ų | 34 | 68.8 Ų | 68.8 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.9 | 177.3 | -66.4 | -85.9 | 0 | 0 | 0 | 109.8 | Y379 R380 L382 N398 E399 R423 | Y379-F425 HydrophobicContact CD1-CD2 4.23Å; Y379-F425 AromaticContact CD1-CE2 3.56Å; Y379-F425 HydrophobicContact CD1-CE2 3.56Å; Y379-F425 HydrophobicContact CD1-CZ 4.2Å; Y379-F425 HydrophobicContact CE1-CE2 4.07Å; Y379-F425 HydrophobicContact CE1-CZ 4.32Å; R380-F425 HydrophobicContact CB-CB 4.08Å; R380-F425 HydrophobicContact CB-CD2 4.48Å; R380-F425 HydrophobicContact CG-CB 4.12Å; R380-F425 WeakPolarHBondContact CG-O 3.38Å; L382-F425 VanDerWaalsContact CD1-O 3.23Å; L382-F425 WeakPolarHBondContact CD1-O 3.43Å; N398-F425 CarbonylContact O-C 3.48Å; N398-F425 WeakPolarHBondContact O-CA 3.31Å; E399-F425 HydrophobicContact CB-CD1 3.89Å; E399-F425 HydrophobicContact CB-CE1 3.7Å; E399-F425 HydrophobicContact CB-CZ 4.47Å; E399-F425 HydrophobicContact CG-CD1 4.24Å; E399-F425 HydrophobicContact CG-CE1 3.88Å; E399-F425 HydrophobicContact CG-CZ 4.17Å; R423-F425 HydrophobicContact CB-CD2 4.32Å; R423-F425 HydrophobicContact CB-CE2 3.57Å; R423-F425 HydrophobicContact CB-CZ 4.14Å |
| 426 | L | 72.8 | Confident | 68.5 | Low | 26 Ų | 26 | 71.1 Ų | 71.1 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | trans | -85 | 150.8 | 172 | -71.6 | 147.2 | 0 | 0 | 0 | 110.6 | I394 N398 L400 | I394-L426 HydrophobicContact CB-CD1 4.37Å; I394-L426 HydrophobicContact CD1-CD1 3.63Å; I394-L426 HydrophobicContact CG1-CD1 3.61Å; I394-L426 HydrophobicContact CG2-CD1 3.89Å; N398-L426 HydrophobicContact CB-CB 4.36Å; N398-L426 PolarHBondContact O-N 3.29Å; L400-L426 HydrophobicContact CD1-CD1 4.29Å | ||
| 427 | P | 68.8 | Low | 67.1 | Low | 15 Ų | 15 | 69.7 Ų | 69.7 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | trans | -71.5 | 143 | 175.8 | -0.6 | 18 | 0 | 0 | 0 | 108.3 | L382 D429 G430 E431 | L382-P427 HydrophobicContact CD1-CB 4.23Å; L382-P427 HydrophobicContact CD1-CG 3.37Å; L382-P427 HydrophobicContact CD2-CG 3.15Å; L382-P427 HydrophobicContact CG-CG 3.73Å; P427-D429 WeakPolarHBondContact CB-OD1 3.5Å; P427-D429 PolarHBondContact O-N 2.85Å; P427-G430 PolarHBondContact O-N 3.18Å; P427-E431 WeakPolarHBondContact CG-O 3.45Å | ||
| 428 | P | 64.1 | Low | 65.7 | Low | 104 Ų | 104 | 74.2 Ų | 74.2 | 68% | 0.675 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -23.2 | 173.3 | 28.4 | -34.5 | 0 | 0 | 0 | 112.8 | R380 | R380-P428 VanDerWaalsContact NH2-CD 3.35Š|
| 429 | D | 63.1 | Low | 64.7 | Low | 88 Ų | 88 | 74.9 Ų | 74.9 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -12.3 | 179.7 | 52.4 | -23.9 | 0 | 0 | 0 | 114.3 | P427 E431 | P427-D429 WeakPolarHBondContact CB-OD1 3.5Å; P427-D429 PolarHBondContact O-N 2.85Å; D429-E431 PolarHBondContact O-N 3.39Å |
| 430 | G | 63.8 | Low | 63.6 | Low | 46 Ų | 46 | 70.2 Ų | 70.2 | 47% | 0.474 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 73.7 | -9.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P427 | P427-G430 PolarHBondContact O-N 3.18Š|
| 431 | E | 63.3 | Low | 62.6 | Low | 70 Ų | 70 | 71.9 Ų | 71.9 | 33% | 0.327 | 37% | 0.37 | S | S | . | . | trans | -86 | 148.3 | 174.7 | -63.2 | -170.1 | -169.8 | 0 | 0 | 111.4 | P427 D429 V434 N610 | P427-E431 WeakPolarHBondContact CG-O 3.45Å; D429-E431 PolarHBondContact O-N 3.39Å; E431-V434 HydrophobicContact CB-CG2 4.32Å; E431-N610 PolarHBondContact OE2-ND2 3.32Å | ||
| 432 | Y | 65.4 | Low | 61.7 | Low | 58 Ų | 58 | 64.7 Ų | 64.7 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | trans | -137.4 | 149.5 | 177.9 | 58.2 | -85.7 | 0 | 0 | 0 | 112.8 | L382 I383 D385 V434 L446 | L382-Y432 HydrophobicContact CD2-CD1 4.35Å; L382-Y432 HydrophobicContact CD2-CG 4.28Å; I383-Y432 HydrophobicContact CG1-CD2 4.13Å; I383-Y432 HydrophobicContact CG1-CE2 3.88Å; I383-Y432 HydrophobicContact CG2-CE2 4.4Å; D385-Y432 PolarHBondContact OD2-OH 3.36Å; D385-Y432 VanDerWaalsContact OD2-OH 3.08Å; Y432-V434 VanDerWaalsContact C-N 3.31Å; Y432-V434 PolarHBondContact O-N 3.4Å; Y432-L446 HydrophobicContact CD2-CD2 3.95Å | ||
| 433 | G | 63.6 | Low | 60.8 | Low | 3 Ų | 3 | 62.3 Ų | 62.3 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 72.4 | 15.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | W441 R452 | G433-W441 VanDerWaalsContact N-CZ3 3.31Å; G433-R452 PolarHBondContact O-NE 2.91Å |
| 434 | V | 62.9 | Low | 60.7 | Low | 33 Ų | 33 | 57.5 Ų | 57.5 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -101.9 | 121.9 | 176.8 | -168.3 | 0 | 0 | 0 | 0 | 110.6 | E431 Y432 I436 W441 N610 | E431-V434 HydrophobicContact CB-CG2 4.32Å; Y432-V434 VanDerWaalsContact C-N 3.31Å; Y432-V434 PolarHBondContact O-N 3.4Å; V434-I436 WeakPolarHBondContact O-CG1 3.33Å; V434-I436 PolarHBondContact O-N 3.31Å; V434-W441 VanDerWaalsContact C-CZ2 3.48Å; V434-W441 VanDerWaalsContact N-CH2 3.29Å; V434-W441 WeakPolarHBondContact O-CH2 3.3Å; V434-W441 WeakPolarHBondContact O-CZ2 3.25Å; V434-N610 HydrophobicContact CG1-CB 4.42Å; V434-N610 HydrophobicContact CG2-CB 3.48Å; V434-N610 VanDerWaalsContact CG2-CB 3.48Å |
| 435 | K | 60 | Low | 60.7 | Low | 129 Ų | 129 | 57 Ų | 57 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | trans | -52.2 | 99.2 | -178.7 | -172 | 172.7 | -172.6 | 143.7 | 0 | 112.4 | D455 | K435-D455 WeakPolarHBondContact CD-OD2 3.41Å; K435-D455 VanDerWaalsContact CE-OD2 3.27Å; K435-D455 WeakPolarHBondContact CE-OD2 3.3Å; K435-D455 VanDerWaalsContact NZ-CG 3.29Å; K435-D455 IonicContact NZ-OD1 2.89Å; K435-D455 PolarHBondContact NZ-OD1 2.75Å; K435-D455 IonicContact NZ-OD2 3.21Å; K435-D455 PolarHBondContact NZ-OD2 3.13Å | ||
| 436 | I | 55.1 | Low | 60.9 | Low | 62 Ų | 62 | 55.6 Ų | 55.6 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | trans | -88.8 | 127.9 | 171 | -58.5 | 172.6 | 0 | 0 | 0 | 107.5 | V434 N438 T439 | V434-I436 WeakPolarHBondContact O-CG1 3.33Å; V434-I436 PolarHBondContact O-N 3.31Å; I436-N438 PolarHBondContact O-N 3.48Å; I436-T439 WeakPolarHBondContact CB-OG1 3.43Å; I436-T439 HydrophobicContact CG2-CG2 4.07Å | ||
| 437 | T | 50 | Low | 61.3 | Low | 137 Ų | 137 | 54.9 Ų | 54.9 | 84% | 0.84 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -10.8 | -172 | 20.7 | 0 | 0 | 0 | 0 | 116 | ||
| 438 | N | 43.1 | Very low | 62 | Low | 159 Ų | 159 | 55.9 Ų | 55.9 | 85% | 0.85 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.5 | 19.6 | -172.1 | -97.7 | -16.8 | 0 | 0 | 0 | 116.1 | I436 | I436-N438 PolarHBondContact O-N 3.48Š|
| 439 | T | 49.6 | Very low | 62.6 | Low | 56 Ų | 56 | 51.4 Ų | 51.4 | 34% | 0.344 | 28% | 0.281 | S | S | . | . | trans | -121.9 | 138.7 | -179.6 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | I436 W441 | I436-T439 WeakPolarHBondContact CB-OG1 3.43Å; I436-T439 HydrophobicContact CG2-CG2 4.07Å; T439-W441 PolarHBondContact O-N 3.16Å | ||
| 440 | T | 49.4 | Very low | 63.2 | Low | 80 Ų | 80 | 55.1 Ų | 55.1 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | trans | -67 | 113.4 | 174.5 | 49.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 441 | W | 50.1 | Low | 63.7 | Low | 61 Ų | 61 | 57 Ų | 57 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | trans | -73.6 | 125.8 | 163.6 | -59.8 | 89.8 | 0 | 0 | 0 | 108.4 | G433 V434 T439 L456 | G433-W441 VanDerWaalsContact N-CZ3 3.31Å; V434-W441 VanDerWaalsContact C-CZ2 3.48Å; V434-W441 VanDerWaalsContact N-CH2 3.29Å; V434-W441 WeakPolarHBondContact O-CH2 3.3Å; V434-W441 WeakPolarHBondContact O-CZ2 3.25Å; T439-W441 PolarHBondContact O-N 3.16Å; W441-L456 HydrophobicContact CB-CD2 3.61Å; W441-L456 HydrophobicContact CD2-CD2 4.47Å; W441-L456 HydrophobicContact CG-CD2 3.79Å | ||
| 442 | N | 51.1 | Low | 64.4 | Low | 27 Ų | 27 | 54.3 Ų | 54.3 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | trans | -123.8 | 158.7 | 164.4 | -58.2 | -37.7 | 0 | 0 | 0 | 109.8 | Y379 R380 A444 | Y379-N442 WeakPolarHBondContact O-CB 3.4Å; Y379-N442 VanDerWaalsContact O-CG 3.31Å; Y379-N442 PolarHBondContact O-ND2 2.87Å; R380-N442 CarbonylContact O-C 3.58Å; N442-A444 PolarHBondContact O-N 2.86Å | ||
| 443 | A | 57.3 | Low | 65 | Low | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -20.4 | 107.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | I381 A691 V692 | I381-A443 WeakPolarHBondContact CB-O 3.14Å; I381-A443 WeakPolarHBondContact CG1-O 3.42Å; I381-A443 WeakPolarHBondContact CG2-O 3.47Å; A443-A691 CarbonylContact C-O 3.53Å; A443-A691 WeakPolarHBondContact CA-O 3.33Å; A443-V692 HydrophobicContact CB-CG2 4.42Å |
| 444 | A | 70.3 | Confident | 65.8 | Low | 7 Ų | 7 | 59.9 Ų | 59.9 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 143.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N442 L446 F690 A691 | N442-A444 PolarHBondContact O-N 2.86Å; A444-L446 HydrophobicContact CB-CG 4.41Å; A444-L446 PolarHBondContact O-N 2.79Å; A444-F690 CarbonylContact O-C 3.39Å; A444-A691 PolarHBondContact N-O 3.35Å; A444-A691 PolarHBondContact O-N 3.02Å |
| 445 | P | 76.5 | Confident | 66.3 | Low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 132.5 | 166 | 12.6 | -4.4 | 0 | 0 | 0 | 107.4 | I383 Y388 A407 F462 I688 G689 F690 | I383-P445 HydrophobicContact CD1-CB 3.91Å; I383-P445 HydrophobicContact CD1-CG 3.98Å; I383-P445 WeakPolarHBondContact CD1-O 3.44Å; I383-P445 HydrophobicContact CG1-CG 4.35Å; I383-P445 WeakPolarHBondContact CG1-O 3.36Å; Y388-P445 HydrophobicContact CD1-CB 4.29Å; Y388-P445 HydrophobicContact CD1-CG 4.17Å; A407-P445 HydrophobicContact CB-CG 3.52Å; P445-F462 HydrophobicContact CB-CE1 3.99Å; P445-F462 HydrophobicContact CB-CZ 3.92Å; P445-I688 HydrophobicContact CB-CG2 4.31Å; P445-G689 CarbonylContact C-O 3.58Å; P445-G689 WeakPolarHBondContact CA-O 3.31Å; P445-F690 HydrophobicContact CB-CZ 4.48Å; P445-F690 HydrophobicContact CG-CE1 4.22Å; P445-F690 HydrophobicContact CG-CZ 4.2Å |
| 446 | L | 79.1 | Confident | 67.1 | Low | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 149.6 | 176.5 | -73.7 | -179.8 | 0 | 0 | 0 | 108.3 | I383 Y432 A444 I448 L456 F458 G689 A691 | I383-L446 HydrophobicContact CG1-CD2 4.5Å; Y432-L446 HydrophobicContact CD2-CD2 3.95Å; A444-L446 HydrophobicContact CB-CG 4.41Å; A444-L446 PolarHBondContact O-N 2.79Å; L446-I448 PolarHBondContact O-N 3.28Å; L446-L456 HydrophobicContact CD1-CD1 4.08Å; L446-F458 HydrophobicContact CB-CE1 4Å; L446-G689 PolarHBondContact N-O 3.32Å; L446-G689 PolarHBondContact O-N 3.32Å; L446-G689 VanDerWaalsContact O-O 3.11Å; L446-A691 HydrophobicContact CB-CB 4.13Å; L446-A691 HydrophobicContact CD1-CB 3.74Å; L446-A691 HydrophobicContact CG-CB 4.17Å |
| 447 | T | 81.6 | Confident | 68.2 | Low | 10 Ų | 10 | 55.5 Ų | 55.5 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 124.9 | 165.5 | -41.9 | 0 | 0 | 0 | 0 | 110 | N449 R452 I686 | T447-N449 PolarHBondContact O-N 3.39Å; T447-R452 PolarHBondContact O-NH1 3.03Å; T447-I686 HydrophobicContact CG2-CG2 3.29Å |
| 448 | I | 82.3 | Confident | 69.8 | Low | 36 Ų | 36 | 50 Ų | 50 | 19% | 0.185 | 25% | 0.254 | C | S | . | . | trans | -73.4 | 118.9 | 175.3 | -52.2 | -179.9 | 0 | 0 | 0 | 107.4 | L446 F458 G460 P461 P687 | L446-I448 PolarHBondContact O-N 3.28Å; I448-F458 HydrophobicContact CB-CD1 4.44Å; I448-F458 HydrophobicContact CB-CE1 4.45Å; I448-F458 HydrophobicContact CD1-CB 4.3Å; I448-F458 HydrophobicContact CD1-CD1 4.47Å; I448-F458 HydrophobicContact CD1-CG 4.48Å; I448-F458 HydrophobicContact CG1-CB 4.33Å; I448-F458 HydrophobicContact CG1-CD1 3.69Å; I448-F458 HydrophobicContact CG1-CE1 4.02Å; I448-F458 HydrophobicContact CG1-CG 3.98Å; I448-F458 HydrophobicContact CG2-CD2 4.11Å; I448-F458 HydrophobicContact CG2-CE2 4.34Å; I448-F458 HydrophobicContact CG2-CG 4.25Å; I448-G460 WeakPolarHBondContact CD1-O 3.48Å; I448-P461 HydrophobicContact CD1-CB 3.95Å; I448-P461 HydrophobicContact CD1-CG 4.41Å; I448-P687 HydrophobicContact CB-CG 4.16Å; I448-P687 HydrophobicContact CD1-CB 4.24Å; I448-P687 PolarHBondContact N-O 3.14Å | ||
| 449 | N | 76.7 | Confident | 71.6 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | trans | -142.5 | 158.9 | 175.8 | 70 | 21.9 | 0 | 0 | 0 | 110.8 | T447 E451 R452 S453 | T447-N449 PolarHBondContact O-N 3.39Å; N449-E451 VanDerWaalsContact C-N 3.27Å; N449-E451 PolarHBondContact O-N 3.41Å; N449-R452 PolarHBondContact O-N 3Å; N449-R452 WeakPolarHBondContact OD1-CA 2.96Å; N449-R452 WeakPolarHBondContact OD1-CB 3.3Å; N449-R452 WeakPolarHBondContact OD1-CD 3.42Å; N449-R452 WeakPolarHBondContact OD1-CG 3.23Å; N449-R452 PolarHBondContact OD1-N 3.1Å; N449-S453 WeakPolarHBondContact O-CB 3.41Å; N449-S453 PolarHBondContact O-N 3.26Å; N449-S453 PolarHBondContact O-OG 2.87Å | ||
| 450 | K | 77.1 | Confident | 73.1 | Confident | 166 Ų | 166 | 40.5 Ų | 40.5 | 72% | 0.722 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -36.3 | -174.2 | -173.3 | 175.5 | -179.2 | 177.6 | 0 | 113.1 | ||
| 451 | E | 72.9 | Confident | 74.7 | Confident | 87 Ų | 87 | 38.9 Ų | 38.9 | 41% | 0.407 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -46.6 | -179.8 | -167.8 | -162.3 | 173.7 | 0 | 0 | 111.7 | N449 Q454 K615 | N449-E451 VanDerWaalsContact C-N 3.27Å; N449-E451 PolarHBondContact O-N 3.41Å; E451-Q454 WeakPolarHBondContact O-CB 3.18Å; E451-Q454 PolarHBondContact O-N 2.97Å; E451-K615 VanDerWaalsContact CD-NZ 3.35Å; E451-K615 IonicContact OE1-NZ 2.79Å; E451-K615 PolarHBondContact OE1-NZ 3.13Å; E451-K615 WeakPolarHBondContact OE2-CD 3.47Å; E451-K615 WeakPolarHBondContact OE2-CE 3.06Å; E451-K615 IonicContact OE2-NZ 3.53Å; E451-K615 PolarHBondContact OE2-NZ 2.96Å |
| 452 | R | 77.3 | Confident | 76.3 | Confident | 13 Ų | 13 | 36.4 Ų | 36.4 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -68.9 | -36.2 | 178.9 | -69.6 | 171.4 | 175.6 | 169.9 | -1.3 | 111.5 | G433 T447 N449 Q454 D455 L456 F458 | G433-R452 PolarHBondContact O-NE 2.91Å; T447-R452 PolarHBondContact O-NH1 3.03Å; N449-R452 PolarHBondContact O-N 3Å; N449-R452 WeakPolarHBondContact OD1-CA 2.96Å; N449-R452 WeakPolarHBondContact OD1-CB 3.3Å; N449-R452 WeakPolarHBondContact OD1-CD 3.42Å; N449-R452 WeakPolarHBondContact OD1-CG 3.23Å; N449-R452 PolarHBondContact OD1-N 3.1Å; R452-Q454 PolarHBondContact O-N 3.13Å; R452-Q454 VanDerWaalsContact O-N 3.1Å; R452-D455 PolarHBondContact O-N 3.03Å; R452-D455 VanDerWaalsContact O-N 3.08Å; R452-L456 HydrophobicContact CB-CD1 4.31Å; R452-L456 WeakPolarHBondContact O-CB 3.37Å; R452-L456 PolarHBondContact O-N 3.41Å; R452-F458 HydrophobicContact CB-CE2 3.99Å; R452-F458 HydrophobicContact CB-CZ 3.81Å |
| 453 | S | 80 | Confident | 77.9 | Confident | 52 Ų | 52 | 35.7 Ų | 35.7 | 36% | 0.364 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -65.3 | -10.4 | 178.4 | -61.6 | 0 | 0 | 0 | 0 | 114 | N449 L456 F458 | N449-S453 WeakPolarHBondContact O-CB 3.41Å; N449-S453 PolarHBondContact O-N 3.26Å; N449-S453 PolarHBondContact O-OG 2.87Å; S453-L456 WeakPolarHBondContact CA-O 3.38Å; S453-F458 WeakPolarHBondContact OG-CD2 3.06Å; S453-F458 WeakPolarHBondContact OG-CE2 3.38Å |
| 454 | Q | 78.4 | Confident | 79.2 | Confident | 126 Ų | 126 | 42 Ų | 42 | 59% | 0.589 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -76.4 | -31.7 | 172.4 | -68.4 | 176 | -6.9 | 0 | 0 | 112.7 | E451 R452 | E451-Q454 WeakPolarHBondContact O-CB 3.18Å; E451-Q454 PolarHBondContact O-N 2.97Å; R452-Q454 PolarHBondContact O-N 3.13Å; R452-Q454 VanDerWaalsContact O-N 3.1Å |
| 455 | D | 74.3 | Confident | 80.1 | Confident | 64 Ų | 64 | 41.7 Ų | 41.7 | 34% | 0.342 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -15.9 | -175.7 | -62 | -44.8 | 0 | 0 | 0 | 112.6 | K435 R452 | K435-D455 WeakPolarHBondContact CD-OD2 3.41Å; K435-D455 VanDerWaalsContact CE-OD2 3.27Å; K435-D455 WeakPolarHBondContact CE-OD2 3.3Å; K435-D455 VanDerWaalsContact NZ-CG 3.29Å; K435-D455 IonicContact NZ-OD1 2.89Å; K435-D455 PolarHBondContact NZ-OD1 2.75Å; K435-D455 IonicContact NZ-OD2 3.21Å; K435-D455 PolarHBondContact NZ-OD2 3.13Å; R452-D455 PolarHBondContact O-N 3.03Å; R452-D455 VanDerWaalsContact O-N 3.08Å |
| 456 | L | 77.4 | Confident | 80.6 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.5 | -174.4 | -58 | 172.5 | 0 | 0 | 0 | 111.1 | W441 L446 R452 S453 F458 A691 V692 | W441-L456 HydrophobicContact CB-CD2 3.61Å; W441-L456 HydrophobicContact CD2-CD2 4.47Å; W441-L456 HydrophobicContact CG-CD2 3.79Å; L446-L456 HydrophobicContact CD1-CD1 4.08Å; R452-L456 HydrophobicContact CB-CD1 4.31Å; R452-L456 WeakPolarHBondContact O-CB 3.37Å; R452-L456 PolarHBondContact O-N 3.41Å; S453-L456 WeakPolarHBondContact CA-O 3.38Å; L456-F458 HydrophobicContact CB-CE2 4.38Å; L456-A691 HydrophobicContact CB-CB 4.33Å; L456-A691 HydrophobicContact CD1-CB 3.97Å; L456-V692 CarbonylContact C-O 3.56Å; L456-V692 WeakPolarHBondContact CA-O 3.14Å |
| 457 | F | 78.2 | Confident | 81.1 | Confident | 59 Ų | 59 | 42.6 Ų | 42.6 | 26% | 0.259 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.1 | 169.4 | -175.3 | -88.7 | 0 | 0 | 0 | 109.9 | V459 V692 L694 A699 L703 | F457-V459 HydrophobicContact CD1-CG2 4.13Å; F457-V459 HydrophobicContact CE1-CG2 4.12Å; F457-V692 PolarHBondContact N-O 3.24Å; F457-V692 PolarHBondContact O-N 2.99Å; F457-L694 HydrophobicContact CB-CD1 4.29Å; F457-A699 HydrophobicContact CB-CB 4.38Å; F457-A699 HydrophobicContact CD1-CB 3.52Å; F457-A699 HydrophobicContact CE1-CB 3.92Å; F457-A699 HydrophobicContact CG-CB 4.01Å; F457-L703 HydrophobicContact CE1-CB 4.13Å; F457-L703 HydrophobicContact CE1-CD2 4.31Å; F457-L703 HydrophobicContact CZ-CB 4.39Å; F457-L703 HydrophobicContact CZ-CD2 3.86Å |
| 458 | F | 83.7 | Confident | 81.6 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 10% | 0.096 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123.2 | 179.7 | -73.3 | -86.5 | 0 | 0 | 0 | 112 | L446 I448 R452 S453 L456 A691 | L446-F458 HydrophobicContact CB-CE1 4Å; I448-F458 HydrophobicContact CB-CD1 4.44Å; I448-F458 HydrophobicContact CB-CE1 4.45Å; I448-F458 HydrophobicContact CD1-CB 4.3Å; I448-F458 HydrophobicContact CD1-CD1 4.47Å; I448-F458 HydrophobicContact CD1-CG 4.48Å; I448-F458 HydrophobicContact CG1-CB 4.33Å; I448-F458 HydrophobicContact CG1-CD1 3.69Å; I448-F458 HydrophobicContact CG1-CE1 4.02Å; I448-F458 HydrophobicContact CG1-CG 3.98Å; I448-F458 HydrophobicContact CG2-CD2 4.11Å; I448-F458 HydrophobicContact CG2-CE2 4.34Å; I448-F458 HydrophobicContact CG2-CG 4.25Å; R452-F458 HydrophobicContact CB-CE2 3.99Å; R452-F458 HydrophobicContact CB-CZ 3.81Å; S453-F458 WeakPolarHBondContact OG-CD2 3.06Å; S453-F458 WeakPolarHBondContact OG-CE2 3.38Å; L456-F458 HydrophobicContact CB-CE2 4.38Å; F458-A691 HydrophobicContact CD1-CB 3.93Å; F458-A691 HydrophobicContact CE1-CB 3.63Å; F458-A691 HydrophobicContact CZ-CB 4.19Å |
| 459 | V | 80.9 | Confident | 82 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 106.2 | 171.4 | 171.2 | 0 | 0 | 0 | 0 | 108.2 | F414 F457 F690 V692 M702 M706 | F414-V459 HydrophobicContact CZ-CG1 3.86Å; F457-V459 HydrophobicContact CD1-CG2 4.13Å; F457-V459 HydrophobicContact CE1-CG2 4.12Å; V459-F690 HydrophobicContact CB-CB 4.05Å; V459-F690 WeakPolarHBondContact CB-O 3.46Å; V459-F690 PolarHBondContact N-O 2.85Å; V459-F690 PolarHBondContact O-N 3.17Å; V459-V692 HydrophobicContact CG2-CG2 3.78Å; V459-M702 HydrophobicContact CB-CB 4.47Å; V459-M702 HydrophobicContact CG1-CB 3.94Å; V459-M702 WeakPolarHBondContact CG1-O 3.48Å; V459-M702 HydrophobicContact CG2-CB 3.68Å; V459-M706 HydrophobicContact CG1-CB 3.69Å; V459-M706 HydrophobicContact CG1-CE 4.26Å; V459-M706 HydrophobicContact CG1-CG 4.24Å |
| 460 | G | 80.6 | Confident | 82.7 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 14% | 0.144 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.9 | 172.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I448 | I448-G460 WeakPolarHBondContact CD1-O 3.48Å |
| 461 | P | 83.9 | Confident | 83.2 | Confident | 46 Ų | 46 | 32.3 Ų | 32.3 | 30% | 0.299 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | -94 | 137.5 | 80.5 | 25.9 | -34.7 | 0 | 0 | 0 | 112.8 | I448 P687 I688 | I448-P461 HydrophobicContact CD1-CB 3.95Å; I448-P461 HydrophobicContact CD1-CG 4.41Å; P461-P687 HydrophobicContact CB-CB 4.08Å; P461-I688 VanDerWaalsContact CA-O 3.27Å; P461-I688 WeakPolarHBondContact CA-O 3.5Å | |
| 462 | F | 83.2 | Confident | 83.8 | Confident | 9 Ų | 9 | 29.3 Ų | 29.3 | 4% | 0.039 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -15.6 | 173.1 | 69 | -92.4 | 0 | 0 | 0 | 112.4 | Y388 L406 I410 P445 I688 F690 M706 I715 | Y388-F462 HydrophobicContact CE1-CZ 4.46Å; L406-F462 HydrophobicContact CD2-CE2 4.22Å; I410-F462 HydrophobicContact CD1-CD2 3.67Å; I410-F462 HydrophobicContact CD1-CE2 3.74Å; I410-F462 HydrophobicContact CD1-CG 4.21Å; I410-F462 HydrophobicContact CD1-CZ 4.34Å; P445-F462 HydrophobicContact CB-CE1 3.99Å; P445-F462 HydrophobicContact CB-CZ 3.92Å; F462-I688 WeakPolarHBondContact CD1-O 3.29Å; F462-I688 HydrophobicContact CE1-CG2 3.81Å; F462-I688 HydrophobicContact CZ-CG2 3.74Å; F462-I688 PolarHBondContact N-O 2.98Å; F462-F690 AromaticContact CD1-CD2 3.67Å; F462-F690 HydrophobicContact CD1-CD2 3.67Å; F462-F690 AromaticContact CD1-CE2 3.95Å; F462-F690 HydrophobicContact CD1-CE2 3.95Å; F462-F690 AromaticContact CE1-CD2 3.57Å; F462-F690 HydrophobicContact CE1-CD2 3.57Å; F462-F690 AromaticContact CE1-CE2 3.64Å; F462-F690 HydrophobicContact CE1-CE2 3.64Å; F462-F690 HydrophobicContact CZ-CD2 4.45Å; F462-F690 HydrophobicContact CZ-CE2 4.09Å; F462-M706 HydrophobicContact CB-CE 3.96Å; F462-M706 HydrophobicContact CB-SD 3.89Å; F462-M706 HydrophobicContact CD1-CE 4.21Å; F462-M706 HydrophobicContact CG-CE 4.36Å; F462-I715 HydrophobicContact CB-CG2 4.21Å; F462-I715 VanDerWaalsContact O-CG2 3.26Å; F462-I715 WeakPolarHBondContact O-CG2 3.25Å |
| 463 | M | 83.8 | Confident | 83.7 | Confident | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.059 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 152.8 | 173.1 | 64.7 | -173.7 | -71.6 | 0 | 0 | 110.3 | Y388 L406 I663 I688 L719 V724 | Y388-M463 HydrophobicContact CE1-SD 3.85Å; L406-M463 HydrophobicContact CD2-SD 4.24Å; M463-I663 HydrophobicContact CE-CD1 3.18Å; M463-I663 HydrophobicContact CE-CG1 4.44Å; M463-I663 HydrophobicContact CE-CG2 4.42Å; M463-I688 HydrophobicContact CE-CD1 4.03Å; M463-I688 HydrophobicContact CG-CB 3.65Å; M463-I688 HydrophobicContact CG-CD1 4.09Å; M463-I688 HydrophobicContact CG-CG1 4.26Å; M463-I688 HydrophobicContact CG-CG2 4.2Å; M463-I688 PolarHBondContact O-N 3.45Å; M463-I688 HydrophobicContact SD-CB 4.34Å; M463-I688 HydrophobicContact SD-CD1 4.03Å; M463-I688 HydrophobicContact SD-CG2 4.38Å; M463-L719 HydrophobicContact CB-CD2 4.22Å; M463-L719 HydrophobicContact SD-CD2 4.48Å; M463-V724 HydrophobicContact CE-CG1 3.93Å |
| 464 | E | 85.5 | Confident | 83 | Confident | 134 Ų | 134 | 29.6 Ų | 29.6 | 63% | 0.626 | 16% | 0.155 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 115.1 | 172.8 | -65.6 | -179.3 | 177.2 | 0 | 0 | 107.6 | I685 | E464-I685 HydrophobicContact CB-CG2 4.12Å; E464-I685 HydrophobicContact CG-CG2 4.4Å |
| 465 | D | 88 | Confident | 82.2 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 173 | 171.2 | -160.6 | 8.6 | 0 | 0 | 0 | 110.2 | R662 I663 I686 I688 | D465-R662 IonicContact OD1-CZ 3.84Å; D465-R662 IonicContact OD1-NE 2.85Å; D465-R662 PolarHBondContact OD1-NE 3.35Å; D465-R662 IonicContact OD1-NH2 3.52Å; D465-R662 PolarHBondContact OD2-N 3.44Å; D465-I663 HydrophobicContact CB-CD1 3.88Å; D465-I663 VanDerWaalsContact OD1-CD1 3.28Å; D465-I663 WeakPolarHBondContact OD1-CD1 3.49Å; D465-I663 VanDerWaalsContact OD1-CG1 3.25Å; D465-I663 WeakPolarHBondContact OD1-CG1 3.46Å; D465-I663 PolarHBondContact OD1-N 3.05Å; D465-I663 WeakPolarHBondContact OD2-CB 3.29Å; D465-I663 PolarHBondContact OD2-N 3.1Å; D465-I686 HydrophobicContact CB-CB 4.42Å; D465-I686 PolarHBondContact N-O 2.76Å; D465-I686 PolarHBondContact O-N 2.81Å; D465-I688 HydrophobicContact CB-CD1 4.02Å |
| 466 | T | 88.3 | Confident | 81.4 | Confident | 22 Ų | 22 | 33.6 Ų | 33.6 | 14% | 0.135 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 161.8 | 172.4 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | G468 R662 V684 | T466-G468 PolarHBondContact O-N 2.9Å; T466-R662 WeakPolarHBondContact O-CB 3.13Å; T466-R662 PolarHBondContact O-N 3.17Å; T466-R662 VanDerWaalsContact O-N 3.08Å; T466-R662 VanDerWaalsContact OG1-CD 3.31Å; T466-R662 WeakPolarHBondContact OG1-CD 3.33Å; T466-R662 PolarHBondContact OG1-NE 3.4Å; T466-V684 WeakPolarHBondContact CA-O 3.46Å |
| 467 | L | 89.8 | Confident | 80.3 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 122.9 | 173.7 | 179.4 | 68.9 | 0 | 0 | 0 | 110 | L595 T613 L659 D680 D681 V684 I686 | L467-L595 HydrophobicContact CD2-CD1 3.73Å; L467-T613 HydrophobicContact CD1-CG2 3.2Å; L467-L659 HydrophobicContact CD1-CB 4.42Å; L467-D680 WeakPolarHBondContact O-CA 3.44Å; L467-D681 HydrophobicContact CB-CB 4.34Å; L467-D681 PolarHBondContact O-N 3.14Å; L467-V684 HydrophobicContact CB-CB 3.82Å; L467-V684 HydrophobicContact CB-CG1 3.97Å; L467-V684 HydrophobicContact CB-CG2 4.48Å; L467-V684 HydrophobicContact CD2-CG2 4.44Å; L467-V684 PolarHBondContact N-O 3.4Å; L467-I686 HydrophobicContact CB-CD1 4.2Å; L467-I686 HydrophobicContact CD1-CD1 4.45Å |
| 468 | G | 90.6 | Very high | 79.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T466 D660 L665 | T466-G468 PolarHBondContact O-N 2.9Å; G468-D660 CarbonylContact C-O 3.03Å; G468-D660 VanDerWaalsContact CA-O 3.3Å; G468-D660 WeakPolarHBondContact CA-O 3.45Å; G468-D660 PolarHBondContact N-O 3.12Å; G468-D660 PolarHBondContact O-N 3.47Å; G468-D660 VanDerWaalsContact O-N 3.13Å; G468-D660 VanDerWaalsContact O-O 3.07Å; G468-L665 WeakPolarHBondContact O-CD1 3.11Å |
| 469 | I | 91.5 | Very high | 78.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 106.2 | 177.2 | -51.5 | 171.9 | 0 | 0 | 0 | 106.8 | L471 V592 L598 V657 L659 V678 V679 | I469-L471 HydrophobicContact CG2-CD2 3.82Å; I469-V592 HydrophobicContact CG2-CG2 4.4Å; I469-L598 HydrophobicContact CD1-CD1 3.64Å; I469-L598 HydrophobicContact CD1-CG 4.25Å; I469-L598 HydrophobicContact CG1-CD1 3.93Å; I469-L598 HydrophobicContact CG2-CD1 4.18Å; I469-L598 HydrophobicContact CG2-CD2 4.17Å; I469-V657 HydrophobicContact CG2-CG1 3.42Å; I469-V657 VanDerWaalsContact CG2-CG1 3.42Å; I469-L659 HydrophobicContact CB-CD2 4.25Å; I469-L659 HydrophobicContact CG1-CD2 3.93Å; I469-L659 HydrophobicContact CG2-CD2 4.04Å; I469-V678 WeakPolarHBondContact O-CA 3.44Å; I469-V679 HydrophobicContact CB-CB 4.36Å; I469-V679 WeakPolarHBondContact CB-O 3.37Å; I469-V679 PolarHBondContact N-O 2.93Å; I469-V679 PolarHBondContact O-N 2.97Å |
| 470 | L | 91.1 | Very high | 77.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 122.3 | 175.4 | 178.5 | 73.8 | 0 | 0 | 0 | 109.9 | V647 V650 V657 L658 L665 L669 L676 V678 | L470-V647 HydrophobicContact CD2-CG2 3.85Å; L470-V650 HydrophobicContact CD2-CB 4.35Å; L470-V650 HydrophobicContact CD2-CG2 4.02Å; L470-V650 HydrophobicContact CG-CG1 4.33Å; L470-V650 HydrophobicContact CG-CG2 4.18Å; L470-V657 WeakPolarHBondContact O-CA 3.49Å; L470-L658 HydrophobicContact CB-CB 4.12Å; L470-L658 HydrophobicContact CD2-CB 4.3Å; L470-L658 HydrophobicContact CD2-CD2 3.83Å; L470-L658 PolarHBondContact N-O 3.04Å; L470-L658 PolarHBondContact O-N 2.71Å; L470-L665 HydrophobicContact CB-CD1 4.14Å; L470-L665 HydrophobicContact CB-CD2 4.04Å; L470-L665 HydrophobicContact CD2-CD2 4.11Å; L470-L669 HydrophobicContact CD1-CD1 3.74Å; L470-L669 HydrophobicContact CD1-CD2 4.47Å; L470-L676 HydrophobicContact CD1-CB 4.06Å; L470-V678 HydrophobicContact CD1-CG2 3.67Å |
| 471 | L | 88.5 | Confident | 77.5 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 159.6 | 177.8 | 52.5 | 121.1 | 0 | 0 | 0 | 111 | I469 T473 P591 V592 L676 T677 V679 | I469-L471 HydrophobicContact CG2-CD2 3.82Å; L471-T473 PolarHBondContact O-N 3.34Å; L471-P591 HydrophobicContact CD1-CG 4.35Å; L471-V592 HydrophobicContact CD2-CG2 4.22Å; L471-L676 WeakPolarHBondContact O-CA 3.41Å; L471-T677 WeakPolarHBondContact CD1-OG1 3.44Å; L471-T677 PolarHBondContact N-O 3.45Å; L471-T677 PolarHBondContact O-N 3.07Å; L471-T677 PolarHBondContact O-OG1 3.48Å; L471-V679 HydrophobicContact CD2-CB 4.37Å; L471-V679 HydrophobicContact CD2-CG2 3.8Å |
| 472 | N | 85 | Confident | 77 | Confident | 23 Ų | 23 | 48.5 Ų | 48.5 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 132.6 | 166.7 | -78.3 | -47.3 | 0 | 0 | 0 | 109.3 | P474 V650 S653 T654 T675 L676 | N472-P474 WeakPolarHBondContact O-CD 3.33Å; N472-V650 PolarHBondContact ND2-O 2.86Å; N472-S653 VanDerWaalsContact ND2-C 3.35Å; N472-S653 PolarHBondContact ND2-O 2.83Å; N472-S653 VanDerWaalsContact ND2-O 3.12Å; N472-T654 HydrophobicContact CB-CG2 4.2Å; N472-T675 CarbonylContact C-O 3.37Å; N472-T675 WeakPolarHBondContact CA-O 3.27Å; N472-L676 WeakPolarHBondContact OD1-CD2 3.27Å |
| 473 | T | 75.9 | Confident | 76.6 | Confident | 38 Ų | 38 | 50 Ų | 50 | 23% | 0.233 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -50.2 | 116 | 174.5 | -54.3 | 0 | 0 | 0 | 0 | 108.1 | L471 E475 I588 E674 T675 L676 T677 | L471-T473 PolarHBondContact O-N 3.34Å; T473-E475 PolarHBondContact O-N 2.78Å; T473-I588 HydrophobicContact CG2-CG2 4.38Å; T473-E674 WeakPolarHBondContact CB-O 2.83Å; T473-E674 PolarHBondContact OG1-O 2.06Å; T473-T675 PolarHBondContact N-O 3.39Å; T473-T675 PolarHBondContact OG1-O 2.84Å; T473-L676 PolarHBondContact OG1-N 3.24Å; T473-T677 HydrophobicContact CG2-CG2 3.9Å; T473-T677 VanDerWaalsContact OG1-CG2 3.23Å; T473-T677 WeakPolarHBondContact OG1-CG2 3.4Å |
| 474 | P | 64.7 | Low | 76.4 | Confident | 33 Ų | 33 | 53.3 Ų | 53.3 | 21% | 0.214 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 134.1 | -179 | 25.3 | -32 | 0 | 0 | 0 | 108.3 | N472 Q476 I588 Q589 | N472-P474 WeakPolarHBondContact O-CD 3.33Å; P474-Q476 PolarHBondContact O-N 2.8Å; P474-I588 HydrophobicContact CG-CG2 3.68Å; P474-Q589 WeakPolarHBondContact CG-O 3.37Å |
| 475 | E | 61.6 | Low | 76 | Confident | 184 Ų | 184 | 50.5 Ų | 50.5 | 86% | 0.86 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -55.7 | 132.1 | 172.7 | -67.4 | -174 | 171.4 | 0 | 0 | 108.2 | T473 N477 | T473-E475 PolarHBondContact O-N 2.78Å; E475-N477 PolarHBondContact O-N 3.35Å |
| 476 | Q | 57.5 | Low | 75.7 | Confident | 91 Ų | 91 | 51.2 Ų | 51.2 | 43% | 0.425 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 129.2 | 172.8 | -71.1 | -176.9 | -17.4 | 0 | 0 | 107.5 | P474 E478 | P474-Q476 PolarHBondContact O-N 2.8Å; Q476-E478 PolarHBondContact O-N 3.21Å |
| 477 | N | 53.9 | Low | 75.7 | Confident | 104 Ų | 104 | 51.3 Ų | 51.3 | 56% | 0.556 | 25% | 0.253 | S | S | * | . | trans | -64.2 | 85.9 | 171.9 | -77.2 | -35.7 | 0 | 0 | 0 | 108 | E475 E479 Q482 Q589 | E475-N477 PolarHBondContact O-N 3.35Å; N477-E479 HydrophobicContact CB-CG 4.49Å; N477-E479 PolarHBondContact O-N 2.86Å; N477-Q482 PolarHBondContact O-NE2 3.23Å; N477-Q589 PolarHBondContact ND2-OE1 3.38Å | ||
| 478 | E | 57.3 | Low | 75.7 | Confident | 67 Ų | 67 | 59.1 Ų | 59.1 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | trans | -74.1 | 70.9 | 170 | -70.4 | -173.1 | -135.4 | 0 | 0 | 107.8 | Q476 L480 R742 | Q476-E478 PolarHBondContact O-N 3.21Å; E478-L480 PolarHBondContact O-N 2.76Å; E478-R742 VanDerWaalsContact CD-NH2 3.27Å; E478-R742 IonicContact OE1-CZ 3.52Å; E478-R742 IonicContact OE1-NE 3.11Å; E478-R742 IonicContact OE1-NH2 3.29Å; E478-R742 PolarHBondContact OE1-NH2 2.69Å; E478-R742 IonicContact OE2-CZ 3.77Å; E478-R742 VanDerWaalsContact OE2-CZ 3.29Å; E478-R742 IonicContact OE2-NE 3.89Å; E478-R742 PolarHBondContact OE2-NE 3.32Å; E478-R742 IonicContact OE2-NH2 2.84Å; E478-R742 PolarHBondContact OE2-NH2 3.32Å; E478-R742 VanDerWaalsContact OE2-NH2 3.11Å | ||
| 479 | E | 63 | Low | 75.6 | Confident | 101 Ų | 101 | 67.3 Ų | 67.3 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | trans | -60 | 129.2 | 173.6 | -66.4 | -171.2 | 177.5 | 0 | 0 | 109.2 | N477 F481 Q482 L485 | N477-E479 HydrophobicContact CB-CG 4.49Å; N477-E479 PolarHBondContact O-N 2.86Å; E479-F481 PolarHBondContact O-N 3.05Å; E479-Q482 HydrophobicContact CB-CG 4.3Å; E479-Q482 VanDerWaalsContact O-CG 3.31Å; E479-Q482 WeakPolarHBondContact O-CG 3.45Å; E479-Q482 PolarHBondContact O-N 3.4Å; E479-L485 HydrophobicContact CB-CD1 4.46Å; E479-L485 WeakPolarHBondContact OE2-CD1 3.4Å | ||
| 480 | L | 69.1 | Low | 75.7 | Confident | 82 Ų | 82 | 70.2 Ų | 70.2 | 43% | 0.429 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -23.2 | -179.5 | -65.3 | 166.8 | 0 | 0 | 0 | 112.8 | E478 S745 G746 | E478-L480 PolarHBondContact O-N 2.76Å; L480-S745 VanDerWaalsContact CD2-OG 3.28Å; L480-S745 WeakPolarHBondContact CD2-OG 3.2Å; L480-G746 WeakPolarHBondContact O-CA 3.39Å; L480-G746 PolarHBondContact O-N 3.47Å |
| 481 | F | 75.4 | Confident | 75.8 | Confident | 88 Ų | 88 | 73.4 Ų | 73.4 | 39% | 0.386 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 30.3 | -172.5 | -64.4 | -68.9 | 0 | 0 | 0 | 113.9 | E479 M483 F484 V750 | E479-F481 PolarHBondContact O-N 3.05Å; F481-M483 PolarHBondContact O-N 3.25Å; F481-F484 HydrophobicContact CB-CD2 4.09Å; F481-F484 HydrophobicContact CD1-CD2 4.03Å; F481-F484 AromaticContact CD1-CE2 3.96Å; F481-F484 HydrophobicContact CD1-CE2 3.96Å; F481-F484 HydrophobicContact CG-CD2 4.44Å; F481-F484 PolarHBondContact O-N 2.86Å; F481-V750 HydrophobicContact CE1-CG2 4.16Å |
| 482 | Q | 73.3 | Confident | 76 | Confident | 20 Ų | 20 | 77 Ų | 77 | 9% | 0.093 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -50.7 | -30.2 | -179.7 | -83.2 | 174.2 | 4 | 0 | 0 | 115 | N477 E479 F484 L485 F582 | N477-Q482 PolarHBondContact O-NE2 3.23Å; E479-Q482 HydrophobicContact CB-CG 4.3Å; E479-Q482 VanDerWaalsContact O-CG 3.31Å; E479-Q482 WeakPolarHBondContact O-CG 3.45Å; E479-Q482 PolarHBondContact O-N 3.4Å; Q482-F484 PolarHBondContact O-N 3.12Å; Q482-L485 HydrophobicContact CB-CD1 4.23Å; Q482-L485 HydrophobicContact CG-CD1 3.9Å; Q482-L485 WeakPolarHBondContact O-CB 3.39Å; Q482-L485 PolarHBondContact O-N 3.06Å; Q482-F582 HydrophobicContact CB-CE1 4.28Å; Q482-F582 HydrophobicContact CG-CE1 3.86Å; Q482-F582 HydrophobicContact CG-CZ 4.49Å |
| 483 | M | 75.1 | Confident | 76.4 | Confident | 42 Ų | 42 | 81.3 Ų | 81.3 | 21% | 0.207 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -64.9 | -20 | 177.9 | 67 | 170.7 | 162.3 | 0 | 0 | 115.2 | F481 P486 W575 A747 | F481-M483 PolarHBondContact O-N 3.25Å; M483-P486 WeakPolarHBondContact O-CD 3.39Å; M483-W575 PolarHBondContact O-NE1 2.68Å; M483-A747 HydrophobicContact CE-CB 3.65Å; M483-A747 VanDerWaalsContact CE-N 3.27Å; M483-A747 HydrophobicContact SD-CB 3.69Å |
| 484 | F | 78.4 | Confident | 77.3 | Confident | 80 Ų | 80 | 83.8 Ų | 83.8 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -96.7 | -12.5 | -179 | -62 | -52.2 | 0 | 0 | 0 | 113.4 | F481 Q482 W492 V750 | F481-F484 HydrophobicContact CB-CD2 4.09Å; F481-F484 HydrophobicContact CD1-CD2 4.03Å; F481-F484 AromaticContact CD1-CE2 3.96Å; F481-F484 HydrophobicContact CD1-CE2 3.96Å; F481-F484 HydrophobicContact CG-CD2 4.44Å; F481-F484 PolarHBondContact O-N 2.86Å; Q482-F484 PolarHBondContact O-N 3.12Å; F484-W492 HydrophobicContact CD1-CZ2 4.22Å; F484-W492 PolarHBondContact O-NE1 3.32Å; F484-V750 HydrophobicContact CE2-CG2 3.99Å; F484-V750 HydrophobicContact CZ-CG2 4.13Å |
| 485 | L | 77.6 | Confident | 78.7 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 39% | 0.393 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -28.3 | 178.4 | -80.1 | 156.1 | 0 | 0 | 0 | 116.2 | E479 Q482 F487 F582 | E479-L485 HydrophobicContact CB-CD1 4.46Å; E479-L485 WeakPolarHBondContact OE2-CD1 3.4Å; Q482-L485 HydrophobicContact CB-CD1 4.23Å; Q482-L485 HydrophobicContact CG-CD1 3.9Å; Q482-L485 WeakPolarHBondContact O-CB 3.39Å; Q482-L485 PolarHBondContact O-N 3.06Å; L485-F487 PolarHBondContact O-N 2.96Å; L485-F487 VanDerWaalsContact O-N 3.14Å; L485-F582 HydrophobicContact CD1-CE1 4.43Å; L485-F582 HydrophobicContact CD1-CZ 4.09Å |
| 486 | P | 82.7 | Confident | 80.2 | Confident | 17 Ų | 17 | 78.1 Ų | 78.1 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -33.3 | -175.1 | -29.1 | 35.9 | 0 | 0 | 0 | 114.4 | M483 D578 L579 | M483-P486 WeakPolarHBondContact O-CD 3.39Å; P486-D578 WeakPolarHBondContact CA-OD2 3.31Å; P486-D578 HydrophobicContact CB-CB 4.15Å; P486-D578 VanDerWaalsContact CB-OD2 3.3Å; P486-D578 WeakPolarHBondContact CB-OD2 3.46Å; P486-L579 HydrophobicContact CG-CB 3.91Å; P486-L579 HydrophobicContact CG-CD1 4Å |
| 487 | F | 87.7 | Confident | 82 | Confident | 24 Ų | 24 | 75 Ų | 75 | 11% | 0.105 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -111.2 | 129.6 | 178.8 | -70 | -26.5 | 0 | 0 | 0 | 111 | L485 I491 W492 I571 T574 W575 | L485-F487 PolarHBondContact O-N 2.96Å; L485-F487 VanDerWaalsContact O-N 3.14Å; F487-I491 HydrophobicContact CB-CB 4.09Å; F487-I491 HydrophobicContact CB-CG2 4.01Å; F487-I491 HydrophobicContact CD1-CD1 4.08Å; F487-I491 HydrophobicContact CD1-CG2 3.96Å; F487-I491 HydrophobicContact CD2-CG2 4.03Å; F487-I491 HydrophobicContact CE1-CG2 4.45Å; F487-I491 HydrophobicContact CE2-CG2 4.5Å; F487-I491 HydrophobicContact CG-CB 4.34Å; F487-I491 HydrophobicContact CG-CG2 3.74Å; F487-W492 HydrophobicContact CD2-CZ2 4.41Å; F487-W492 VanDerWaalsContact O-CD1 3.26Å; F487-W492 PolarHBondContact O-NE1 2.82Å; F487-W492 VanDerWaalsContact O-NE1 3.14Å; F487-I571 HydrophobicContact CE2-CG2 3.87Å; F487-I571 HydrophobicContact CZ-CG2 4.22Å; F487-T574 HydrophobicContact CE1-CG2 4.12Å; F487-T574 HydrophobicContact CZ-CG2 4.39Å; F487-W575 HydrophobicContact CE2-CB 3.69Å; F487-W575 HydrophobicContact CE2-CG 4.21Å; F487-W575 HydrophobicContact CZ-CB 3.73Å |
| 488 | R | 90.3 | Very high | 83.9 | Confident | 166 Ų | 166 | 71 Ų | 71 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | trans | -64.4 | 158.5 | 169.3 | -66.6 | 175.8 | 53.3 | 159.2 | 4.1 | 110.9 | D490 I491 W492 | R488-D490 WeakPolarHBondContact CB-OD1 3.5Å; R488-D490 IonicContact NE-OD1 3.68Å; R488-D490 PolarHBondContact NE-OD1 3Å; R488-D490 PolarHBondContact O-N 3.31Å; R488-D490 VanDerWaalsContact O-N 3.14Å; R488-I491 PolarHBondContact O-N 2.94Å; R488-W492 PolarHBondContact O-N 3.39Å | ||
| 489 | Y | 89 | Confident | 85.6 | Confident | 171 Ų | 171 | 68.9 Ų | 68.9 | 67% | 0.671 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -56.5 | -33.4 | -175.3 | 74.3 | -92.1 | 0 | 0 | 0 | 113.4 | W492 L493 | Y489-W492 PolarHBondContact O-N 3.37Å; Y489-L493 HydrophobicContact CD2-CD1 4.28Å; Y489-L493 WeakPolarHBondContact O-CG 3.17Å; Y489-L493 PolarHBondContact O-N 3.32Å |
| 490 | D | 93.8 | Very high | 87.1 | Confident | 61 Ų | 61 | 69.8 Ų | 69.8 | 33% | 0.326 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 177.9 | 52.4 | -43.6 | 0 | 0 | 0 | 111.9 | R488 L493 C494 | R488-D490 WeakPolarHBondContact CB-OD1 3.5Å; R488-D490 IonicContact NE-OD1 3.68Å; R488-D490 PolarHBondContact NE-OD1 3Å; R488-D490 PolarHBondContact O-N 3.31Å; R488-D490 VanDerWaalsContact O-N 3.14Å; D490-L493 PolarHBondContact O-N 2.98Å; D490-C494 PolarHBondContact O-N 3.43Å; D490-C494 VanDerWaalsContact O-N 3.09Å; D490-C494 PolarHBondContact O-SG 2.72Å; D490-C494 VanDerWaalsContact O-SG 3.38Å |
| 491 | I | 92.6 | Very high | 88.3 | Confident | 67 Ų | 67 | 71 Ų | 71 | 34% | 0.344 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.9 | -42 | 174.9 | -60.1 | 174.2 | 0 | 0 | 0 | 110.2 | F487 R488 L493 C494 V495 | F487-I491 HydrophobicContact CB-CB 4.09Å; F487-I491 HydrophobicContact CB-CG2 4.01Å; F487-I491 HydrophobicContact CD1-CD1 4.08Å; F487-I491 HydrophobicContact CD1-CG2 3.96Å; F487-I491 HydrophobicContact CD2-CG2 4.03Å; F487-I491 HydrophobicContact CE1-CG2 4.45Å; F487-I491 HydrophobicContact CE2-CG2 4.5Å; F487-I491 HydrophobicContact CG-CB 4.34Å; F487-I491 HydrophobicContact CG-CG2 3.74Å; R488-I491 PolarHBondContact O-N 2.94Å; I491-L493 VanDerWaalsContact C-N 3.3Å; I491-L493 PolarHBondContact O-N 3.18Å; I491-C494 WeakPolarHBondContact O-CA 3.1Å; I491-C494 WeakPolarHBondContact O-CB 3.17Å; I491-C494 PolarHBondContact O-N 3.27Å; I491-C494 VanDerWaalsContact O-N 3.07Å; I491-V495 HydrophobicContact CG2-CG2 4.43Å; I491-V495 WeakPolarHBondContact O-CG2 3.08Å; I491-V495 PolarHBondContact O-N 3.19Å |
| 492 | W | 92.4 | Very high | 89.2 | Confident | 83 Ų | 83 | 67.2 Ų | 67.2 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 175.7 | -78.1 | 111.2 | 0 | 0 | 0 | 112.7 | F484 F487 R488 Y489 C494 V495 I496 | F484-W492 HydrophobicContact CD1-CZ2 4.22Å; F484-W492 PolarHBondContact O-NE1 3.32Å; F487-W492 HydrophobicContact CD2-CZ2 4.41Å; F487-W492 VanDerWaalsContact O-CD1 3.26Å; F487-W492 PolarHBondContact O-NE1 2.82Å; F487-W492 VanDerWaalsContact O-NE1 3.14Å; R488-W492 PolarHBondContact O-N 3.39Å; Y489-W492 PolarHBondContact O-N 3.37Å; W492-C494 VanDerWaalsContact C-N 3.34Å; W492-C494 PolarHBondContact O-N 3.46Å; W492-V495 PolarHBondContact O-N 3.26Å; W492-I496 WeakPolarHBondContact O-CG1 3.33Å; W492-I496 PolarHBondContact O-N 2.81Å |
| 493 | L | 94 | Very high | 90 | Very high | 113 Ų | 113 | 66.3 Ų | 66.3 | 59% | 0.592 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63 | -40.2 | 173.7 | -69.5 | 174.2 | 0 | 0 | 0 | 111.9 | Y489 D490 I491 I496 G497 | Y489-L493 HydrophobicContact CD2-CD1 4.28Å; Y489-L493 WeakPolarHBondContact O-CG 3.17Å; Y489-L493 PolarHBondContact O-N 3.32Å; D490-L493 PolarHBondContact O-N 2.98Å; I491-L493 VanDerWaalsContact C-N 3.3Å; I491-L493 PolarHBondContact O-N 3.18Å; L493-I496 PolarHBondContact O-N 3.18Å; L493-G497 PolarHBondContact O-N 2.96Å |
| 494 | C | 94.2 | Very high | 90.8 | Very high | 91 Ų | 91 | 69.6 Ų | 69.6 | 62% | 0.615 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.9 | -41 | 174.3 | -70.9 | 0 | 0 | 0 | 0 | 112.4 | D490 I491 W492 G497 S498 | D490-C494 PolarHBondContact O-N 3.43Å; D490-C494 VanDerWaalsContact O-N 3.09Å; D490-C494 PolarHBondContact O-SG 2.72Å; D490-C494 VanDerWaalsContact O-SG 3.38Å; I491-C494 WeakPolarHBondContact O-CA 3.1Å; I491-C494 WeakPolarHBondContact O-CB 3.17Å; I491-C494 PolarHBondContact O-N 3.27Å; I491-C494 VanDerWaalsContact O-N 3.07Å; W492-C494 VanDerWaalsContact C-N 3.34Å; W492-C494 PolarHBondContact O-N 3.46Å; C494-G497 PolarHBondContact O-N 3.34Å; C494-S498 WeakPolarHBondContact O-CB 3.28Å; C494-S498 PolarHBondContact O-N 2.8Å |
| 495 | V | 92.9 | Very high | 91.5 | Very high | 10 Ų | 10 | 69 Ų | 69 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.3 | -50.2 | 175.8 | 173 | 0 | 0 | 0 | 0 | 110.4 | I491 W492 G497 S498 I499 M543 I571 | I491-V495 HydrophobicContact CG2-CG2 4.43Å; I491-V495 WeakPolarHBondContact O-CG2 3.08Å; I491-V495 PolarHBondContact O-N 3.19Å; W492-V495 PolarHBondContact O-N 3.26Å; V495-G497 VanDerWaalsContact C-N 3.34Å; V495-G497 PolarHBondContact O-N 2.61Å; V495-S498 WeakPolarHBondContact O-CB 3.43Å; V495-S498 PolarHBondContact O-N 3.27Å; V495-S498 PolarHBondContact O-OG 3.04Å; V495-I499 PolarHBondContact O-N 3.25Å; V495-M543 HydrophobicContact CG1-CE 3.75Å; V495-M543 HydrophobicContact CG1-SD 4.19Å; V495-I571 HydrophobicContact CG2-CD1 4.4Å; V495-I571 HydrophobicContact CG2-CG2 4.2Å |
| 496 | I | 93.4 | Very high | 92 | Very high | 88 Ų | 88 | 65.6 Ų | 65.6 | 45% | 0.451 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 177.1 | -66.5 | 167.7 | 0 | 0 | 0 | 110.5 | W492 L493 S498 I499 F500 | W492-I496 WeakPolarHBondContact O-CG1 3.33Å; W492-I496 PolarHBondContact O-N 2.81Å; L493-I496 PolarHBondContact O-N 3.18Å; I496-S498 VanDerWaalsContact C-N 3.29Å; I496-S498 PolarHBondContact O-N 3.43Å; I496-I499 WeakPolarHBondContact O-CB 3.46Å; I496-I499 PolarHBondContact O-N 2.99Å; I496-F500 HydrophobicContact CG2-CD2 4.13Å; I496-F500 HydrophobicContact CG2-CE2 3.78Å; I496-F500 VanDerWaalsContact O-CD2 3.28Å; I496-F500 WeakPolarHBondContact O-CD2 3.45Å; I496-F500 PolarHBondContact O-N 3.46Å |
| 497 | G | 95.2 | Very high | 92.2 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 27% | 0.268 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.4 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L493 C494 V495 I499 F500 I501 | L493-G497 PolarHBondContact O-N 2.96Å; C494-G497 PolarHBondContact O-N 3.34Å; V495-G497 VanDerWaalsContact C-N 3.34Å; V495-G497 PolarHBondContact O-N 2.61Å; G497-I499 VanDerWaalsContact C-N 3.31Å; G497-I499 PolarHBondContact O-N 3.45Å; G497-F500 PolarHBondContact O-N 3.1Å; G497-I501 WeakPolarHBondContact O-CB 3.38Å; G497-I501 VanDerWaalsContact O-CG1 3.26Å; G497-I501 WeakPolarHBondContact O-CG1 3.45Å; G497-I501 PolarHBondContact O-N 3.22Å |
| 498 | S | 94.5 | Very high | 92.2 | Very high | 20 Ų | 20 | 65.4 Ų | 65.4 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.4 | -35.6 | 179 | 80.3 | 0 | 0 | 0 | 0 | 112.9 | C494 V495 I496 I501 A502 | C494-S498 WeakPolarHBondContact O-CB 3.28Å; C494-S498 PolarHBondContact O-N 2.8Å; V495-S498 WeakPolarHBondContact O-CB 3.43Å; V495-S498 PolarHBondContact O-N 3.27Å; V495-S498 PolarHBondContact O-OG 3.04Å; I496-S498 VanDerWaalsContact C-N 3.29Å; I496-S498 PolarHBondContact O-N 3.43Å; S498-I501 PolarHBondContact O-N 3.41Å; S498-A502 WeakPolarHBondContact O-CB 3.21Å; S498-A502 PolarHBondContact O-N 2.98Å |
| 499 | I | 93.6 | Very high | 92.2 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 11% | 0.108 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 177.3 | -66.1 | 170.2 | 0 | 0 | 0 | 110.1 | V495 I496 G497 A503 T539 V540 | V495-I499 PolarHBondContact O-N 3.25Å; I496-I499 WeakPolarHBondContact O-CB 3.46Å; I496-I499 PolarHBondContact O-N 2.99Å; G497-I499 VanDerWaalsContact C-N 3.31Å; G497-I499 PolarHBondContact O-N 3.45Å; I499-A503 VanDerWaalsContact O-CB 3.28Å; I499-A503 WeakPolarHBondContact O-CB 3.47Å; I499-A503 PolarHBondContact O-N 3.26Å; I499-T539 VanDerWaalsContact CG2-OG1 3.3Å; I499-T539 WeakPolarHBondContact CG2-OG1 3.22Å; I499-T539 PolarHBondContact O-OG1 2.96Å; I499-T539 VanDerWaalsContact O-OG1 3.13Å; I499-V540 HydrophobicContact CD1-CG2 4.48Å; I499-V540 HydrophobicContact CG2-CG2 3.64Å |
| 500 | F | 94.4 | Very high | 92 | Very high | 121 Ų | 121 | 53.2 Ų | 53.2 | 53% | 0.531 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.8 | -41.1 | 179.9 | -71.4 | -71.5 | 0 | 0 | 0 | 112.2 | I496 G497 A503 F504 V536 | I496-F500 HydrophobicContact CG2-CD2 4.13Å; I496-F500 HydrophobicContact CG2-CE2 3.78Å; I496-F500 VanDerWaalsContact O-CD2 3.28Å; I496-F500 WeakPolarHBondContact O-CD2 3.45Å; I496-F500 PolarHBondContact O-N 3.46Å; G497-F500 PolarHBondContact O-N 3.1Å; F500-A503 PolarHBondContact O-N 3.13Å; F500-F504 VanDerWaalsContact O-CB 3.24Å; F500-F504 WeakPolarHBondContact O-CB 3.31Å; F500-F504 PolarHBondContact O-N 2.88Å; F500-V536 HydrophobicContact CD1-CG2 4.29Å; F500-V536 HydrophobicContact CE1-CG1 4.36Å; F500-V536 HydrophobicContact CE1-CG2 4.5Å |
| 501 | I | 94.8 | Very high | 91.4 | Very high | 108 Ų | 108 | 52.6 Ų | 52.6 | 55% | 0.554 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.3 | -47.3 | 177.5 | -68.7 | 165.9 | 0 | 0 | 0 | 110.3 | G497 S498 F504 L505 | G497-I501 WeakPolarHBondContact O-CB 3.38Å; G497-I501 VanDerWaalsContact O-CG1 3.26Å; G497-I501 WeakPolarHBondContact O-CG1 3.45Å; G497-I501 PolarHBondContact O-N 3.22Å; S498-I501 PolarHBondContact O-N 3.41Å; I501-F504 PolarHBondContact O-N 3.39Å; I501-L505 HydrophobicContact CG2-CD1 3.94Å; I501-L505 HydrophobicContact CG2-CG 4.37Å; I501-L505 WeakPolarHBondContact O-CB 3.38Å; I501-L505 VanDerWaalsContact O-CG 3.28Å; I501-L505 WeakPolarHBondContact O-CG 3.39Å; I501-L505 PolarHBondContact O-N 3.47Å |
| 502 | A | 92.7 | Very high | 91 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 7% | 0.066 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S498 F504 L505 I506 T539 Y564 | S498-A502 WeakPolarHBondContact O-CB 3.21Å; S498-A502 PolarHBondContact O-N 2.98Å; A502-F504 VanDerWaalsContact C-N 3.34Å; A502-F504 PolarHBondContact O-N 2.74Å; A502-L505 PolarHBondContact O-N 3.23Å; A502-I506 WeakPolarHBondContact O-CB 3.26Å; A502-I506 WeakPolarHBondContact O-CD1 3.31Å; A502-I506 WeakPolarHBondContact O-CG1 3.38Å; A502-I506 PolarHBondContact O-N 2.94Å; A502-T539 HydrophobicContact CB-CG2 3.81Å; A502-Y564 HydrophobicContact CB-CD1 4.47Å; A502-Y564 HydrophobicContact CB-CD2 3.39Å; A502-Y564 HydrophobicContact CB-CE2 3.78Å; A502-Y564 HydrophobicContact CB-CG 3.79Å |
| 503 | A | 91.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I499 F500 I506 T507 I532 V536 T539 | I499-A503 VanDerWaalsContact O-CB 3.28Å; I499-A503 WeakPolarHBondContact O-CB 3.47Å; I499-A503 PolarHBondContact O-N 3.26Å; F500-A503 PolarHBondContact O-N 3.13Å; A503-I506 PolarHBondContact O-N 2.99Å; A503-T507 PolarHBondContact O-N 3.46Å; A503-T507 PolarHBondContact O-OG1 2.97Å; A503-I532 HydrophobicContact CB-CD1 4.22Å; A503-V536 HydrophobicContact CB-CB 4.23Å; A503-V536 HydrophobicContact CB-CG2 3.54Å; A503-T539 HydrophobicContact CB-CG2 4.11Å |
| 504 | F | 91.7 | Very high | 89.8 | Confident | 112 Ų | 112 | 50 Ų | 50 | 49% | 0.491 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 177.1 | -180 | -103.3 | 0 | 0 | 0 | 112.2 | F500 I501 A502 I506 T507 I508 I532 | F500-F504 VanDerWaalsContact O-CB 3.24Å; F500-F504 WeakPolarHBondContact O-CB 3.31Å; F500-F504 PolarHBondContact O-N 2.88Å; I501-F504 PolarHBondContact O-N 3.39Å; A502-F504 VanDerWaalsContact C-N 3.34Å; A502-F504 PolarHBondContact O-N 2.74Å; F504-I506 PolarHBondContact O-N 2.85Å; F504-T507 PolarHBondContact O-N 3.21Å; F504-I508 HydrophobicContact CD1-CG1 4.18Å; F504-I508 HydrophobicContact CD2-CG1 4.18Å; F504-I508 HydrophobicContact CE1-CD1 4.43Å; F504-I508 HydrophobicContact CE1-CG1 3.83Å; F504-I508 HydrophobicContact CE2-CD1 3.99Å; F504-I508 HydrophobicContact CE2-CG1 3.82Å; F504-I508 HydrophobicContact CG-CG1 4.35Å; F504-I508 HydrophobicContact CZ-CD1 3.81Å; F504-I508 HydrophobicContact CZ-CG1 3.64Å; F504-I508 WeakPolarHBondContact O-CB 3.39Å; F504-I508 WeakPolarHBondContact O-CG1 3.38Å; F504-I508 PolarHBondContact O-N 3.32Å; F504-I532 HydrophobicContact CB-CD1 4.42Å |
| 505 | L | 92.1 | Very high | 88.9 | Confident | 66 Ų | 66 | 51.8 Ų | 51.8 | 35% | 0.346 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 178 | -72 | 175.9 | 0 | 0 | 0 | 112 | I501 A502 I508 F509 V560 | I501-L505 HydrophobicContact CG2-CD1 3.94Å; I501-L505 HydrophobicContact CG2-CG 4.37Å; I501-L505 WeakPolarHBondContact O-CB 3.38Å; I501-L505 VanDerWaalsContact O-CG 3.28Å; I501-L505 WeakPolarHBondContact O-CG 3.39Å; I501-L505 PolarHBondContact O-N 3.47Å; A502-L505 PolarHBondContact O-N 3.23Å; L505-I508 PolarHBondContact O-N 3.1Å; L505-F509 VanDerWaalsContact O-CB 3.26Å; L505-F509 WeakPolarHBondContact O-CB 3.36Å; L505-F509 WeakPolarHBondContact O-CG 3.25Å; L505-F509 PolarHBondContact O-N 2.9Å; L505-V560 HydrophobicContact CB-CG1 3.96Å |
| 506 | I | 89.6 | Confident | 88.1 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 175.8 | -70.4 | 163.5 | 0 | 0 | 0 | 109.9 | A502 A503 F504 F509 S510 F538 T539 V560 | A502-I506 WeakPolarHBondContact O-CB 3.26Å; A502-I506 WeakPolarHBondContact O-CD1 3.31Å; A502-I506 WeakPolarHBondContact O-CG1 3.38Å; A502-I506 PolarHBondContact O-N 2.94Å; A503-I506 PolarHBondContact O-N 2.99Å; F504-I506 PolarHBondContact O-N 2.85Å; I506-F509 PolarHBondContact O-N 3.32Å; I506-S510 WeakPolarHBondContact O-CB 3.48Å; I506-S510 PolarHBondContact O-N 3.36Å; I506-S510 PolarHBondContact O-OG 3.33Å; I506-S510 VanDerWaalsContact O-OG 3.05Å; I506-F538 HydrophobicContact CD1-CD1 3.94Å; I506-F538 HydrophobicContact CD1-CE1 3.74Å; I506-T539 HydrophobicContact CD1-CG2 3.88Å; I506-V560 HydrophobicContact CG1-CB 4.38Å; I506-V560 HydrophobicContact CG1-CG1 3.82Å |
| 507 | T | 86.8 | Confident | 87 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 179.3 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | A503 F504 F509 S510 I511 I530 I532 S535 F796 | A503-T507 PolarHBondContact O-N 3.46Å; A503-T507 PolarHBondContact O-OG1 2.97Å; F504-T507 PolarHBondContact O-N 3.21Å; T507-F509 PolarHBondContact O-N 3.26Å; T507-S510 PolarHBondContact O-N 2.94Å; T507-I511 HydrophobicContact CG2-CD1 3.78Å; T507-I511 HydrophobicContact CG2-CG1 4.49Å; T507-I511 WeakPolarHBondContact O-CB 3.49Å; T507-I511 VanDerWaalsContact O-CG1 3.27Å; T507-I511 WeakPolarHBondContact O-CG1 3.48Å; T507-I511 PolarHBondContact O-N 2.7Å; T507-I530 VanDerWaalsContact CG2-O 3.22Å; T507-I530 WeakPolarHBondContact CG2-O 2.98Å; T507-I532 HydrophobicContact CG2-CB 4.36Å; T507-I532 VanDerWaalsContact OG1-CD1 3.27Å; T507-I532 WeakPolarHBondContact OG1-CD1 3.47Å; T507-S535 WeakPolarHBondContact OG1-CB 3.45Å; T507-S535 PolarHBondContact OG1-OG 3.5Å; T507-F796 HydrophobicContact CG2-CD1 3.92Å; T507-F796 HydrophobicContact CG2-CE1 3.87Å |
| 508 | I | 87.8 | Confident | 85.7 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 20% | 0.195 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 179.5 | -70.1 | -76.2 | 0 | 0 | 0 | 111 | F504 L505 I511 I512 F796 | F504-I508 HydrophobicContact CD1-CG1 4.18Å; F504-I508 HydrophobicContact CD2-CG1 4.18Å; F504-I508 HydrophobicContact CE1-CD1 4.43Å; F504-I508 HydrophobicContact CE1-CG1 3.83Å; F504-I508 HydrophobicContact CE2-CD1 3.99Å; F504-I508 HydrophobicContact CE2-CG1 3.82Å; F504-I508 HydrophobicContact CG-CG1 4.35Å; F504-I508 HydrophobicContact CZ-CD1 3.81Å; F504-I508 HydrophobicContact CZ-CG1 3.64Å; F504-I508 WeakPolarHBondContact O-CB 3.39Å; F504-I508 WeakPolarHBondContact O-CG1 3.38Å; F504-I508 PolarHBondContact O-N 3.32Å; L505-I508 PolarHBondContact O-N 3.1Å; I508-I511 PolarHBondContact O-N 2.76Å; I508-I512 HydrophobicContact CG2-CD1 3.64Å; I508-I512 HydrophobicContact CG2-CG1 4.46Å; I508-I512 WeakPolarHBondContact O-CB 3.5Å; I508-I512 WeakPolarHBondContact O-CG1 3.34Å; I508-I512 PolarHBondContact O-N 3.08Å; I508-F796 HydrophobicContact CD1-CE1 3.85Å; I508-F796 HydrophobicContact CD1-CZ 3.51Å; I508-F796 HydrophobicContact CG1-CE1 4.5Å |
| 509 | F | 89.1 | Confident | 84.7 | Confident | 76 Ų | 76 | 46.3 Ų | 46.3 | 33% | 0.333 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.9 | -36.4 | 180 | -77 | 14.8 | 0 | 0 | 0 | 111.5 | L505 I506 T507 S513 A557 V560 | L505-F509 VanDerWaalsContact O-CB 3.26Å; L505-F509 WeakPolarHBondContact O-CB 3.36Å; L505-F509 WeakPolarHBondContact O-CG 3.25Å; L505-F509 PolarHBondContact O-N 2.9Å; I506-F509 PolarHBondContact O-N 3.32Å; T507-F509 PolarHBondContact O-N 3.26Å; F509-S513 WeakPolarHBondContact O-CB 3.32Å; F509-S513 PolarHBondContact O-N 3.42Å; F509-A557 HydrophobicContact CB-CB 4.29Å; F509-V560 HydrophobicContact CD2-CG2 3.39Å; F509-V560 HydrophobicContact CE2-CG2 3.34Å; F509-V560 HydrophobicContact CG-CG2 4.46Å; F509-V560 HydrophobicContact CZ-CG2 4.38Å |
| 510 | S | 84 | Confident | 83.6 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.8 | -36.9 | 173.4 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | I506 T507 S516 E529 | I506-S510 WeakPolarHBondContact O-CB 3.48Å; I506-S510 PolarHBondContact O-N 3.36Å; I506-S510 PolarHBondContact O-OG 3.33Å; I506-S510 VanDerWaalsContact O-OG 3.05Å; T507-S510 PolarHBondContact O-N 2.94Å; S510-S516 WeakPolarHBondContact O-CB 3.24Å; S510-S516 PolarHBondContact O-OG 3Å; S510-E529 WeakPolarHBondContact CB-O 3.44Å; S510-E529 PolarHBondContact OG-O 2.86Å |
| 511 | I | 82.9 | Confident | 82.4 | Confident | 47 Ų | 47 | 42 Ų | 42 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.5 | -46.5 | 178 | -71.2 | 167.7 | 0 | 0 | 0 | 111.6 | T507 I508 N519 I530 F796 | T507-I511 HydrophobicContact CG2-CD1 3.78Å; T507-I511 HydrophobicContact CG2-CG1 4.49Å; T507-I511 WeakPolarHBondContact O-CB 3.49Å; T507-I511 VanDerWaalsContact O-CG1 3.27Å; T507-I511 WeakPolarHBondContact O-CG1 3.48Å; T507-I511 PolarHBondContact O-N 2.7Å; I508-I511 PolarHBondContact O-N 2.76Å; I511-N519 PolarHBondContact O-ND2 2.89Å; I511-I530 HydrophobicContact CG1-CB 3.92Å; I511-I530 HydrophobicContact CG1-CG2 4Å; I511-F796 HydrophobicContact CD1-CD1 3.73Å; I511-F796 HydrophobicContact CD1-CE1 3.27Å; I511-F796 HydrophobicContact CD1-CE2 4.26Å; I511-F796 HydrophobicContact CD1-CG 4.4Å; I511-F796 HydrophobicContact CD1-CZ 3.55Å |
| 512 | I | 84.5 | Confident | 81.1 | Confident | 125 Ų | 125 | 38.2 Ų | 38.2 | 64% | 0.641 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -76.8 | -36.8 | -174.9 | -64.8 | 173.2 | 0 | 0 | 0 | 111.4 | I508 P514 | I508-I512 HydrophobicContact CG2-CD1 3.64Å; I508-I512 HydrophobicContact CG2-CG1 4.46Å; I508-I512 WeakPolarHBondContact O-CB 3.5Å; I508-I512 WeakPolarHBondContact O-CG1 3.34Å; I508-I512 PolarHBondContact O-N 3.08Å; I512-P514 WeakPolarHBondContact O-CD 3.07Å |
| 513 | S | 82.6 | Confident | 79.6 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | trans | -65.2 | 123.7 | -174.8 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | F509 F515 S516 N519 A554 | F509-S513 WeakPolarHBondContact O-CB 3.32Å; F509-S513 PolarHBondContact O-N 3.42Å; S513-F515 PolarHBondContact O-N 2.8Å; S513-F515 VanDerWaalsContact O-N 3.13Å; S513-F515 PolarHBondContact OG-N 2.96Å; S513-S516 PolarHBondContact O-N 3.25Å; S513-S516 PolarHBondContact O-OG 3.19Å; S513-N519 PolarHBondContact O-ND2 3.26Å; S513-A554 WeakPolarHBondContact OG-CB 3.29Å | ||
| 514 | P | 77 | Confident | 78.1 | Confident | 72 Ų | 72 | 44.4 Ų | 44.4 | 47% | 0.468 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -12.4 | 175.6 | 28.9 | -34.6 | 0 | 0 | 0 | 112.6 | I512 L520 | I512-P514 WeakPolarHBondContact O-CD 3.07Å; P514-L520 WeakPolarHBondContact O-CG 3.43Å |
| 515 | F | 75.8 | Confident | 76.8 | Confident | 128 Ų | 128 | 39.7 Ų | 39.7 | 56% | 0.561 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 10.8 | -177.6 | -55.3 | -72.5 | 0 | 0 | 0 | 114 | S513 L520 | S513-F515 PolarHBondContact O-N 2.8Å; S513-F515 VanDerWaalsContact O-N 3.13Å; S513-F515 PolarHBondContact OG-N 2.96Å; F515-L520 WeakPolarHBondContact O-CD1 3.03Å |
| 516 | S | 75.6 | Confident | 75.6 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -72.9 | 151.9 | 171.8 | 61.3 | 0 | 0 | 0 | 0 | 111 | S510 S513 W518 N519 L520 | S510-S516 WeakPolarHBondContact O-CB 3.24Å; S510-S516 PolarHBondContact O-OG 3Å; S513-S516 PolarHBondContact O-N 3.25Å; S513-S516 PolarHBondContact O-OG 3.19Å; S516-W518 PolarHBondContact O-N 3.07Å; S516-N519 PolarHBondContact O-N 2.88Å; S516-N519 WeakPolarHBondContact OG-CB 3.49Å; S516-N519 PolarHBondContact OG-N 3.46Å; S516-N519 PolarHBondContact OG-ND2 2.97Å; S516-N519 VanDerWaalsContact OG-ND2 3.12Å; S516-L520 WeakPolarHBondContact O-CB 3.36Å; S516-L520 WeakPolarHBondContact O-CG 3.4Å; S516-L520 PolarHBondContact O-N 2.88Å |
| 517 | A | 70.6 | Confident | 74.6 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -38.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L520 A521 I522 A525 E529 I553 | A517-L520 CarbonylContact O-C 3.52Å; A517-L520 PolarHBondContact O-N 3.28Å; A517-A521 PolarHBondContact O-N 3.44Å; A517-I522 HydrophobicContact CB-CD1 4.22Å; A517-I522 PolarHBondContact O-N 3.19Å; A517-A525 HydrophobicContact CB-CB 3.79Å; A517-A525 WeakPolarHBondContact O-CB 3.44Å; A517-E529 VanDerWaalsContact CB-CD 3.43Å; A517-E529 WeakPolarHBondContact CB-OE1 3.4Å; A517-E529 WeakPolarHBondContact CB-OE2 3.33Å; A517-E529 PolarHBondContact N-OE2 3.18Å; A517-I553 HydrophobicContact CB-CB 4.41Å; A517-I553 HydrophobicContact CB-CD1 3.4Å; A517-I553 VanDerWaalsContact CB-CD1 3.4Å; A517-I553 HydrophobicContact CB-CG1 3.98Å |
| 518 | W | 68.5 | Low | 73.9 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 4% | 0.038 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.2 | -50.1 | 172.9 | -174.1 | -96.5 | 0 | 0 | 0 | 113.1 | S516 L520 A521 E529 I530 T800 | S516-W518 PolarHBondContact O-N 3.07Å; W518-L520 VanDerWaalsContact C-N 3.3Å; W518-L520 PolarHBondContact O-N 2.85Å; W518-A521 PolarHBondContact O-N 3.2Å; W518-E529 PolarHBondContact N-OE2 3.24Å; W518-I530 HydrophobicContact CB-CG2 3.84Å; W518-I530 HydrophobicContact CD2-CD1 3.88Å; W518-I530 HydrophobicContact CD2-CG1 4.16Å; W518-I530 HydrophobicContact CG-CD1 3.95Å; W518-I530 HydrophobicContact CG-CG1 4.16Å; W518-I530 HydrophobicContact CG-CG2 3.87Å; W518-I530 HydrophobicContact CZ2-CD1 4.13Å; W518-T800 WeakPolarHBondContact CH2-O 3.34Å |
| 519 | N | 72.3 | Confident | 73.1 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 9% | 0.086 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.9 | -23.7 | -178.7 | -74.9 | -26.9 | 0 | 0 | 0 | 113.4 | I511 S513 S516 | I511-N519 PolarHBondContact O-ND2 2.89Å; S513-N519 PolarHBondContact O-ND2 3.26Å; S516-N519 PolarHBondContact O-N 2.88Å; S516-N519 WeakPolarHBondContact OG-CB 3.49Å; S516-N519 PolarHBondContact OG-N 3.46Å; S516-N519 PolarHBondContact OG-ND2 2.97Å; S516-N519 VanDerWaalsContact OG-ND2 3.12Å |
| 520 | L | 70.6 | Confident | 72.5 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -87.5 | -8.5 | 175.6 | -73.1 | 168 | 0 | 0 | 0 | 113.5 | P514 F515 S516 A517 W518 I522 L810 | P514-L520 WeakPolarHBondContact O-CG 3.43Å; F515-L520 WeakPolarHBondContact O-CD1 3.03Å; S516-L520 WeakPolarHBondContact O-CB 3.36Å; S516-L520 WeakPolarHBondContact O-CG 3.4Å; S516-L520 PolarHBondContact O-N 2.88Å; A517-L520 CarbonylContact O-C 3.52Å; A517-L520 PolarHBondContact O-N 3.28Å; W518-L520 VanDerWaalsContact C-N 3.3Å; W518-L520 PolarHBondContact O-N 2.85Å; L520-I522 HydrophobicContact CB-CD1 4.04Å; L520-I522 HydrophobicContact CB-CG1 3.63Å; L520-I522 HydrophobicContact CD1-CD1 3.96Å; L520-I522 HydrophobicContact CD1-CG1 4.47Å; L520-I522 PolarHBondContact O-N 3.37Å; L520-L810 HydrophobicContact CD2-CD1 3.37Å |
| 521 | A | 69.5 | Low | 72.3 | Confident | 27 Ų | 27 | 39 Ų | 39 | 22% | 0.223 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 39.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A517 W518 I803 P806 | A517-A521 PolarHBondContact O-N 3.44Å; W518-A521 PolarHBondContact O-N 3.2Å; A521-I803 HydrophobicContact CB-CG2 3.37Å; A521-P806 HydrophobicContact CB-CB 4.17Å; A521-P806 HydrophobicContact CB-CG 4.45Å |
| 522 | I | 67.8 | Low | 72.4 | Confident | 27 Ų | 27 | 39 Ų | 39 | 14% | 0.138 | 23% | 0.233 | C | C | . | . | trans | -66.8 | 138.6 | -178.2 | -55.4 | 178.2 | 0 | 0 | 0 | 109 | A517 L520 G524 A525 I553 | A517-I522 HydrophobicContact CB-CD1 4.22Å; A517-I522 PolarHBondContact O-N 3.19Å; L520-I522 HydrophobicContact CB-CD1 4.04Å; L520-I522 HydrophobicContact CB-CG1 3.63Å; L520-I522 HydrophobicContact CD1-CD1 3.96Å; L520-I522 HydrophobicContact CD1-CG1 4.47Å; L520-I522 PolarHBondContact O-N 3.37Å; I522-G524 PolarHBondContact O-N 3.45Å; I522-A525 VanDerWaalsContact O-CB 3.24Å; I522-A525 WeakPolarHBondContact O-CB 3.29Å; I522-A525 PolarHBondContact O-N 3.31Å; I522-I553 HydrophobicContact CD1-CD1 4.33Å | ||
| 523 | P | 60.9 | Low | 72.5 | Confident | 84 Ų | 84 | 40.7 Ų | 40.7 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 113.7 | 172.6 | 20.8 | -31.8 | 0 | 0 | 0 | 110.9 | K820 | P523-K820 HydrophobicContact CB-CD 4.42Å; P523-K820 HydrophobicContact CB-CG 4.22Å; P523-K820 HydrophobicContact CG-CD 4.06Å; P523-K820 HydrophobicContact CG-CG 3.87Å |
| 524 | G | 60.5 | Low | 72.6 | Confident | 55 Ų | 55 | 43.2 Ų | 43.2 | 57% | 0.567 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 109 | -5.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I522 T526 | I522-G524 PolarHBondContact O-N 3.45Å; G524-T526 PolarHBondContact O-N 2.99Å |
| 525 | A | 63.7 | Low | 73.1 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | trans | -66.4 | 113.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A517 I522 | A517-A525 HydrophobicContact CB-CB 3.79Å; A517-A525 WeakPolarHBondContact O-CB 3.44Å; I522-A525 VanDerWaalsContact O-CB 3.24Å; I522-A525 WeakPolarHBondContact O-CB 3.29Å; I522-A525 PolarHBondContact O-N 3.31Å | ||
| 526 | T | 67.9 | Low | 73.8 | Confident | 67 Ų | 67 | 35.4 Ų | 35.4 | 41% | 0.411 | 20% | 0.204 | S | C | . | . | trans | -92.7 | 157.7 | 171.3 | 65 | 0 | 0 | 0 | 0 | 110.1 | G524 D528 | G524-T526 PolarHBondContact O-N 2.99Å; T526-D528 WeakPolarHBondContact CB-OD2 3.25Å; T526-D528 PolarHBondContact O-N 3.33Å; T526-D528 VanDerWaalsContact O-N 3.11Å; T526-D528 WeakPolarHBondContact OG1-CB 3.27Å; T526-D528 PolarHBondContact OG1-OD2 3.24Å | ||
| 527 | S | 68.8 | Low | 74.4 | Confident | 28 Ų | 28 | 43.3 Ų | 43.3 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -63.5 | -11.1 | 173.9 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | E529 I530 S531 | S527-E529 VanDerWaalsContact C-N 3.28Å; S527-E529 PolarHBondContact O-N 2.78Å; S527-I530 VanDerWaalsContact O-CG1 3.28Å; S527-I530 WeakPolarHBondContact O-CG1 3.41Å; S527-I530 PolarHBondContact O-N 3.07Å; S527-S531 PolarHBondContact O-N 3.04Å |
| 528 | D | 70.7 | Confident | 75.1 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -68 | -28.4 | -176.4 | -47.9 | -31.5 | 0 | 0 | 0 | 111.9 | T526 I530 S531 H534 L550 | T526-D528 WeakPolarHBondContact CB-OD2 3.25Å; T526-D528 PolarHBondContact O-N 3.33Å; T526-D528 VanDerWaalsContact O-N 3.11Å; T526-D528 WeakPolarHBondContact OG1-CB 3.27Å; T526-D528 PolarHBondContact OG1-OD2 3.24Å; D528-I530 PolarHBondContact O-N 3.01Å; D528-S531 PolarHBondContact O-N 2.87Å; D528-H534 HydrophobicContact CB-CB 4.02Å; D528-H534 IonicContact OD1-CD2 2.7Å; D528-H534 IonicContact OD1-CE1 3.83Å; D528-H534 IonicContact OD1-NE2 3.37Å; D528-H534 PolarHBondContact OD1-NE2 3.3Å; D528-L550 HydrophobicContact CB-CD1 3.72Å |
| 529 | E | 71.8 | Confident | 76.2 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 9% | 0.089 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -63 | -26.5 | 178.8 | -69.7 | -168.7 | 174.4 | 0 | 0 | 113.6 | S510 A517 W518 S527 L550 | S510-E529 WeakPolarHBondContact CB-O 3.44Å; S510-E529 PolarHBondContact OG-O 2.86Å; A517-E529 VanDerWaalsContact CB-CD 3.43Å; A517-E529 WeakPolarHBondContact CB-OE1 3.4Å; A517-E529 WeakPolarHBondContact CB-OE2 3.33Å; A517-E529 PolarHBondContact N-OE2 3.18Å; W518-E529 PolarHBondContact N-OE2 3.24Å; S527-E529 VanDerWaalsContact C-N 3.28Å; S527-E529 PolarHBondContact O-N 2.78Å; E529-L550 HydrophobicContact CG-CD1 4.22Å |
| 530 | I | 77.2 | Confident | 77.1 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -110.3 | 0.2 | -179.4 | 61.3 | 157.7 | 0 | 0 | 0 | 112.6 | T507 I511 W518 S527 D528 P799 | T507-I530 VanDerWaalsContact CG2-O 3.22Å; T507-I530 WeakPolarHBondContact CG2-O 2.98Å; I511-I530 HydrophobicContact CG1-CB 3.92Å; I511-I530 HydrophobicContact CG1-CG2 4Å; W518-I530 HydrophobicContact CB-CG2 3.84Å; W518-I530 HydrophobicContact CD2-CD1 3.88Å; W518-I530 HydrophobicContact CD2-CG1 4.16Å; W518-I530 HydrophobicContact CG-CD1 3.95Å; W518-I530 HydrophobicContact CG-CG1 4.16Å; W518-I530 HydrophobicContact CG-CG2 3.87Å; W518-I530 HydrophobicContact CZ2-CD1 4.13Å; S527-I530 VanDerWaalsContact O-CG1 3.28Å; S527-I530 WeakPolarHBondContact O-CG1 3.41Å; S527-I530 PolarHBondContact O-N 3.07Å; D528-I530 PolarHBondContact O-N 3.01Å; I530-P799 HydrophobicContact CD1-CB 3.54Å; I530-P799 HydrophobicContact CD1-CG 4.26Å; I530-P799 HydrophobicContact CG1-CB 3.99Å; I530-P799 HydrophobicContact CG1-CG 4.17Å |
| 531 | S | 80 | Confident | 78 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | trans | -85.8 | 127.9 | 177.6 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | S527 D528 Y533 H534 S535 | S527-S531 PolarHBondContact O-N 3.04Å; D528-S531 PolarHBondContact O-N 2.87Å; S531-Y533 VanDerWaalsContact C-N 3.26Å; S531-Y533 PolarHBondContact O-N 3.41Å; S531-Y533 PolarHBondContact OG-N 3.14Å; S531-H534 PolarHBondContact O-N 2.97Å; S531-S535 WeakPolarHBondContact O-CB 3.28Å; S531-S535 PolarHBondContact O-N 2.91Å; S531-S535 PolarHBondContact O-OG 3.45Å | ||
| 532 | I | 85.1 | Confident | 78.9 | Confident | 47 Ų | 47 | 42.7 Ų | 42.7 | 24% | 0.241 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.5 | -33.7 | 176.6 | -170.5 | 62.7 | 0 | 0 | 0 | 111.6 | A503 F504 T507 S535 V536 | A503-I532 HydrophobicContact CB-CD1 4.22Å; F504-I532 HydrophobicContact CB-CD1 4.42Å; T507-I532 HydrophobicContact CG2-CB 4.36Å; T507-I532 VanDerWaalsContact OG1-CD1 3.27Å; T507-I532 WeakPolarHBondContact OG1-CD1 3.47Å; I532-S535 PolarHBondContact O-N 3.4Å; I532-V536 HydrophobicContact CD1-CG2 4.49Å; I532-V536 HydrophobicContact CG1-CG2 4.35Å; I532-V536 WeakPolarHBondContact O-CG2 3.23Å; I532-V536 PolarHBondContact O-N 3.23Å |
| 533 | Y | 85.3 | Confident | 79.9 | Confident | 160 Ų | 160 | 42.6 Ų | 42.6 | 63% | 0.627 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.7 | -48.4 | 179.2 | 174.9 | -98.1 | 0 | 0 | 0 | 111.5 | S531 S535 V536 W537 | S531-Y533 VanDerWaalsContact C-N 3.26Å; S531-Y533 PolarHBondContact O-N 3.41Å; S531-Y533 PolarHBondContact OG-N 3.14Å; Y533-S535 VanDerWaalsContact C-N 3.31Å; Y533-S535 PolarHBondContact O-N 3.41Å; Y533-V536 PolarHBondContact O-N 2.81Å; Y533-W537 PolarHBondContact O-N 3.23Å |
| 534 | H | 84.8 | Confident | 81.2 | Confident | 67 Ų | 67 | 43.9 Ų | 43.9 | 31% | 0.31 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.5 | -32.9 | 176.5 | -70.1 | -77.5 | 0 | 0 | 0 | 111.9 | D528 S531 W537 F538 | D528-H534 HydrophobicContact CB-CB 4.02Å; D528-H534 IonicContact OD1-CD2 2.7Å; D528-H534 IonicContact OD1-CE1 3.83Å; D528-H534 IonicContact OD1-NE2 3.37Å; D528-H534 PolarHBondContact OD1-NE2 3.3Å; S531-H534 PolarHBondContact O-N 2.97Å; H534-W537 PolarHBondContact O-N 2.66Å; H534-F538 WeakPolarHBondContact O-CB 3.22Å; H534-F538 PolarHBondContact O-N 3.01Å |
| 535 | S | 87.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.1 | -37.5 | 174.4 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | T507 S531 I532 Y533 F538 T539 | T507-S535 WeakPolarHBondContact OG1-CB 3.45Å; T507-S535 PolarHBondContact OG1-OG 3.5Å; S531-S535 WeakPolarHBondContact O-CB 3.28Å; S531-S535 PolarHBondContact O-N 2.91Å; S531-S535 PolarHBondContact O-OG 3.45Å; I532-S535 PolarHBondContact O-N 3.4Å; Y533-S535 VanDerWaalsContact C-N 3.31Å; Y533-S535 PolarHBondContact O-N 3.41Å; S535-F538 WeakPolarHBondContact O-CB 3.38Å; S535-F538 PolarHBondContact O-N 2.72Å; S535-T539 WeakPolarHBondContact O-CG2 3.11Å; S535-T539 PolarHBondContact O-N 3.03Å; S535-T539 PolarHBondContact O-OG1 2.93Å |
| 536 | V | 90.3 | Very high | 83.4 | Confident | 35 Ų | 35 | 50.7 Ų | 50.7 | 21% | 0.212 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.7 | -45.1 | 173.6 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | F500 A503 I532 Y533 F538 T539 V540 | F500-V536 HydrophobicContact CD1-CG2 4.29Å; F500-V536 HydrophobicContact CE1-CG1 4.36Å; F500-V536 HydrophobicContact CE1-CG2 4.5Å; A503-V536 HydrophobicContact CB-CB 4.23Å; A503-V536 HydrophobicContact CB-CG2 3.54Å; I532-V536 HydrophobicContact CD1-CG2 4.49Å; I532-V536 HydrophobicContact CG1-CG2 4.35Å; I532-V536 WeakPolarHBondContact O-CG2 3.23Å; I532-V536 PolarHBondContact O-N 3.23Å; Y533-V536 PolarHBondContact O-N 2.81Å; V536-F538 VanDerWaalsContact C-N 3.26Å; V536-F538 PolarHBondContact O-N 3.39Å; V536-T539 PolarHBondContact O-N 3.28Å; V536-T539 PolarHBondContact O-OG1 3.03Å; V536-V540 HydrophobicContact CG1-CG2 4.36Å; V536-V540 WeakPolarHBondContact O-CB 3.32Å; V536-V540 VanDerWaalsContact O-CG2 3.27Å; V536-V540 WeakPolarHBondContact O-CG2 3.3Å; V536-V540 PolarHBondContact O-N 3.36Å |
| 537 | W | 88.1 | Confident | 83.8 | Confident | 167 Ų | 167 | 51.3 Ų | 51.3 | 63% | 0.633 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.2 | -38.3 | 175.3 | -172.4 | -107.2 | 0 | 0 | 0 | 112 | Y533 H534 G541 | Y533-W537 PolarHBondContact O-N 3.23Å; H534-W537 PolarHBondContact O-N 2.66Å; W537-G541 PolarHBondContact O-N 2.87Å |
| 538 | F | 87.1 | Confident | 84 | Confident | 14 Ų | 14 | 53 Ų | 53 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 174.6 | 171.6 | -94.5 | 0 | 0 | 0 | 112.5 | I506 H534 S535 V536 G541 G542 Q548 L550 T561 W565 | I506-F538 HydrophobicContact CD1-CD1 3.94Å; I506-F538 HydrophobicContact CD1-CE1 3.74Å; H534-F538 WeakPolarHBondContact O-CB 3.22Å; H534-F538 PolarHBondContact O-N 3.01Å; S535-F538 WeakPolarHBondContact O-CB 3.38Å; S535-F538 PolarHBondContact O-N 2.72Å; V536-F538 VanDerWaalsContact C-N 3.26Å; V536-F538 PolarHBondContact O-N 3.39Å; F538-G541 PolarHBondContact O-N 2.86Å; F538-G542 PolarHBondContact O-N 2.79Å; F538-Q548 HydrophobicContact CD2-CB 3.9Å; F538-Q548 HydrophobicContact CD2-CG 3.9Å; F538-Q548 HydrophobicContact CE2-CB 3.8Å; F538-Q548 HydrophobicContact CE2-CG 3.96Å; F538-L550 HydrophobicContact CB-CD2 4.4Å; F538-L550 HydrophobicContact CD2-CB 3.83Å; F538-L550 HydrophobicContact CE2-CB 4.4Å; F538-L550 WeakPolarHBondContact CE2-O 3.42Å; F538-T561 HydrophobicContact CE1-CG2 3.9Å; F538-T561 HydrophobicContact CZ-CG2 3.58Å; F538-W565 HydrophobicContact CZ-CZ2 4.24Å |
| 539 | T | 90.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.1 | -39.9 | 178 | 52.6 | 0 | 0 | 0 | 0 | 112 | I499 A502 A503 I506 S535 V536 G541 G542 M543 Y564 | I499-T539 VanDerWaalsContact CG2-OG1 3.3Å; I499-T539 WeakPolarHBondContact CG2-OG1 3.22Å; I499-T539 PolarHBondContact O-OG1 2.96Å; I499-T539 VanDerWaalsContact O-OG1 3.13Å; A502-T539 HydrophobicContact CB-CG2 3.81Å; A503-T539 HydrophobicContact CB-CG2 4.11Å; I506-T539 HydrophobicContact CD1-CG2 3.88Å; S535-T539 WeakPolarHBondContact O-CG2 3.11Å; S535-T539 PolarHBondContact O-N 3.03Å; S535-T539 PolarHBondContact O-OG1 2.93Å; V536-T539 PolarHBondContact O-N 3.28Å; V536-T539 PolarHBondContact O-OG1 3.03Å; T539-G541 PolarHBondContact O-N 2.74Å; T539-G542 PolarHBondContact O-N 2.98Å; T539-M543 PolarHBondContact O-N 2.89Å; T539-Y564 HydrophobicContact CG2-CD1 4.23Å; T539-Y564 HydrophobicContact CG2-CE1 3.95Å; T539-Y564 WeakPolarHBondContact O-CE1 3.37Å; T539-Y564 PolarHBondContact O-OH 3.43Å |
| 540 | V | 91.1 | Very high | 83.6 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 172.2 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | I499 V536 G542 M543 L544 | I499-V540 HydrophobicContact CD1-CG2 4.48Å; I499-V540 HydrophobicContact CG2-CG2 3.64Å; V536-V540 HydrophobicContact CG1-CG2 4.36Å; V536-V540 WeakPolarHBondContact O-CB 3.32Å; V536-V540 VanDerWaalsContact O-CG2 3.27Å; V536-V540 WeakPolarHBondContact O-CG2 3.3Å; V536-V540 PolarHBondContact O-N 3.36Å; V540-G542 VanDerWaalsContact C-N 3.32Å; V540-G542 PolarHBondContact O-N 3.42Å; V540-M543 WeakPolarHBondContact O-CB 3Å; V540-M543 PolarHBondContact O-N 2.95Å; V540-L544 HydrophobicContact CG1-CD1 3.94Å; V540-L544 HydrophobicContact CG1-CG 4.49Å; V540-L544 WeakPolarHBondContact O-CG 3.22Å; V540-L544 PolarHBondContact O-N 2.95Å |
| 541 | G | 89.5 | Confident | 83.2 | Confident | 8 Ų | 8 | 67.4 Ų | 67.4 | 8% | 0.082 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | W537 F538 T539 L544 M545 Q546 | W537-G541 PolarHBondContact O-N 2.87Å; F538-G541 PolarHBondContact O-N 2.86Å; T539-G541 PolarHBondContact O-N 2.74Å; G541-L544 CarbonylContact O-C 3.54Å; G541-L544 PolarHBondContact O-N 3.22Å; G541-M545 PolarHBondContact O-N 3.3Å; G541-Q546 PolarHBondContact O-N 2.96Å |
| 542 | G | 88.1 | Confident | 82.9 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F538 T539 V540 L544 M545 Q548 | F538-G542 PolarHBondContact O-N 2.79Å; T539-G542 PolarHBondContact O-N 2.98Å; V540-G542 VanDerWaalsContact C-N 3.32Å; V540-G542 PolarHBondContact O-N 3.42Å; G542-L544 VanDerWaalsContact C-N 3.31Å; G542-L544 PolarHBondContact O-N 3.27Å; G542-M545 PolarHBondContact O-N 2.83Å; G542-M545 VanDerWaalsContact O-N 3.16Å; G542-Q548 VanDerWaalsContact CA-NE2 3.33Å |
| 543 | M | 89.4 | Confident | 82.3 | Confident | 26 Ų | 26 | 68.3 Ų | 68.3 | 13% | 0.128 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 175.3 | -172.8 | 67.3 | -162.4 | 0 | 0 | 112.2 | V495 T539 V540 M545 V568 I571 | V495-M543 HydrophobicContact CG1-CE 3.75Å; V495-M543 HydrophobicContact CG1-SD 4.19Å; T539-M543 PolarHBondContact O-N 2.89Å; V540-M543 WeakPolarHBondContact O-CB 3Å; V540-M543 PolarHBondContact O-N 2.95Å; M543-M545 PolarHBondContact O-N 3.35Å; M543-V568 HydrophobicContact SD-CB 4.41Å; M543-V568 HydrophobicContact SD-CG1 3.83Å; M543-V568 HydrophobicContact SD-CG2 3.95Å; M543-I571 HydrophobicContact CE-CG2 3.9Å |
| 544 | L | 89.5 | Confident | 81.9 | Confident | 110 Ų | 110 | 60.8 Ų | 60.8 | 58% | 0.576 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 8.8 | 179.4 | -65 | 175.7 | 0 | 0 | 0 | 113.9 | V540 G541 G542 Q546 | V540-L544 HydrophobicContact CG1-CD1 3.94Å; V540-L544 HydrophobicContact CG1-CG 4.49Å; V540-L544 WeakPolarHBondContact O-CG 3.22Å; V540-L544 PolarHBondContact O-N 2.95Å; G541-L544 CarbonylContact O-C 3.54Å; G541-L544 PolarHBondContact O-N 3.22Å; G542-L544 VanDerWaalsContact C-N 3.31Å; G542-L544 PolarHBondContact O-N 3.27Å; L544-Q546 HydrophobicContact CB-CG 4.14Å; L544-Q546 PolarHBondContact O-N 3.22Å; L544-Q546 VanDerWaalsContact O-N 3.14Å |
| 545 | M | 85.8 | Confident | 81.8 | Confident | 101 Ų | 101 | 62.1 Ų | 62.1 | 50% | 0.498 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 28.7 | -176.9 | -64.1 | -70.3 | 139 | 0 | 0 | 113.5 | G541 G542 M543 V568 L569 | G541-M545 PolarHBondContact O-N 3.3Å; G542-M545 PolarHBondContact O-N 2.83Å; G542-M545 VanDerWaalsContact O-N 3.16Å; M543-M545 PolarHBondContact O-N 3.35Å; M545-V568 HydrophobicContact CE-CB 4.29Å; M545-V568 HydrophobicContact CE-CG1 3.21Å; M545-L569 HydrophobicContact CE-CD2 4.19Å; M545-L569 HydrophobicContact SD-CD2 4.39Å |
| 546 | Q | 84.1 | Confident | 81.9 | Confident | 110 Ų | 110 | 64.2 Ų | 64.2 | 51% | 0.514 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 148.6 | 175.3 | -66.7 | -171.2 | -1.4 | 0 | 0 | 110.9 | G541 L544 Q548 | G541-Q546 PolarHBondContact O-N 2.96Å; L544-Q546 HydrophobicContact CB-CG 4.14Å; L544-Q546 PolarHBondContact O-N 3.22Å; L544-Q546 VanDerWaalsContact O-N 3.14Å; Q546-Q548 PolarHBondContact O-N 3.05Å |
| 547 | G | 75.8 | Confident | 81.7 | Confident | 80 Ų | 80 | 62.6 Ų | 62.6 | 83% | 0.825 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 134 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 548 | Q | 73 | Confident | 81.7 | Confident | 63 Ų | 63 | 59.1 Ų | 59.1 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -101.9 | 135.7 | -175 | -71.1 | 153 | 57.3 | 0 | 0 | 111 | F538 G542 Q546 W565 | F538-Q548 HydrophobicContact CD2-CB 3.9Å; F538-Q548 HydrophobicContact CD2-CG 3.9Å; F538-Q548 HydrophobicContact CE2-CB 3.8Å; F538-Q548 HydrophobicContact CE2-CG 3.96Å; G542-Q548 VanDerWaalsContact CA-NE2 3.33Å; Q546-Q548 PolarHBondContact O-N 3.05Å; Q548-W565 VanDerWaalsContact OE1-CZ2 3.25Å; Q548-W565 VanDerWaalsContact OE1-NE1 3.11Å |
| 549 | E | 66.4 | Low | 81.8 | Confident | 173 Ų | 173 | 62.1 Ų | 62.1 | 81% | 0.808 | 34% | 0.336 | S | S | * | . | trans | -86.7 | -33.7 | 177.2 | -63.8 | -177.7 | 169.6 | 0 | 0 | 112.4 | ||||
| 550 | L | 67.6 | Low | 81.9 | Confident | 36 Ų | 36 | 63 Ų | 63 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | trans | -79.7 | 129.8 | -178 | -162.4 | 77.2 | 0 | 0 | 0 | 110.5 | D528 E529 F538 | D528-L550 HydrophobicContact CB-CD1 3.72Å; E529-L550 HydrophobicContact CG-CD1 4.22Å; F538-L550 HydrophobicContact CB-CD2 4.4Å; F538-L550 HydrophobicContact CD2-CB 3.83Å; F538-L550 HydrophobicContact CE2-CB 4.4Å; F538-L550 WeakPolarHBondContact CE2-O 3.42Å | ||
| 551 | R | 69 | Low | 81.8 | Confident | 164 Ų | 164 | 61.4 Ų | 61.4 | 62% | 0.619 | 33% | 0.332 | S | S | * | . | trans | -120 | 110.6 | 179.7 | -175 | -179.3 | -176.6 | -171.8 | 2.4 | 111.3 | I553 | R551-I553 PolarHBondContact O-N 3.31Å; R551-I553 VanDerWaalsContact O-N 3.15Å | ||
| 552 | A | 72.8 | Confident | 81.9 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 12% | 0.124 | 35% | 0.352 | C | S | . | . | trans | -60.5 | 117.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A557 R558 | A552-A557 HydrophobicContact CB-CB 3.82Å; A552-R558 HydrophobicContact CB-CG 4.2Å; A552-R558 WeakPolarHBondContact O-CG 3.18Å; A552-R558 PolarHBondContact O-NE 3.4Å | ||
| 553 | I | 72.4 | Confident | 82.1 | Confident | 60 Ų | 60 | 70.7 Ų | 70.7 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | trans | -84.6 | -41.4 | 177.2 | -56.7 | -161.4 | 0 | 0 | 0 | 111.6 | A517 I522 R551 R558 | A517-I553 HydrophobicContact CB-CB 4.41Å; A517-I553 HydrophobicContact CB-CD1 3.4Å; A517-I553 VanDerWaalsContact CB-CD1 3.4Å; A517-I553 HydrophobicContact CB-CG1 3.98Å; I522-I553 HydrophobicContact CD1-CD1 4.33Å; R551-I553 PolarHBondContact O-N 3.31Å; R551-I553 VanDerWaalsContact O-N 3.15Å; I553-R558 PolarHBondContact O-NE 3.24Å | ||
| 554 | A | 78.9 | Confident | 82.3 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 2% | 0.017 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -62.6 | 134.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | S513 S556 A557 R558 | S513-A554 WeakPolarHBondContact OG-CB 3.29Å; A554-S556 VanDerWaalsContact C-N 3.27Å; A554-S556 PolarHBondContact O-N 3.32Å; A554-A557 HydrophobicContact CB-CB 4.37Å; A554-A557 PolarHBondContact O-N 3.38Å; A554-R558 WeakPolarHBondContact O-CG 3.16Å; A554-R558 PolarHBondContact O-N 2.85Å |
| 555 | C | 82.6 | Confident | 82.4 | Confident | 96 Ų | 96 | 69.4 Ų | 69.4 | 65% | 0.649 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -56.9 | -39.3 | 178.5 | -71 | 0 | 0 | 0 | 0 | 112.8 | R558 T559 | C555-R558 PolarHBondContact O-N 3.13Å; C555-T559 PolarHBondContact O-N 2.84Å; C555-T559 PolarHBondContact O-OG1 3.08Å |
| 556 | S | 88.7 | Confident | 82.7 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 31% | 0.308 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.7 | -50.9 | 177.5 | 51.3 | 0 | 0 | 0 | 0 | 112.4 | A554 R558 T559 V560 | A554-S556 VanDerWaalsContact C-N 3.27Å; A554-S556 PolarHBondContact O-N 3.32Å; S556-R558 VanDerWaalsContact C-N 3.33Å; S556-R558 PolarHBondContact O-N 3.49Å; S556-T559 PolarHBondContact O-N 2.89Å; S556-V560 PolarHBondContact O-N 3.4Å |
| 557 | A | 86.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F509 A552 A554 V560 T561 | F509-A557 HydrophobicContact CB-CB 4.29Å; A552-A557 HydrophobicContact CB-CB 3.82Å; A554-A557 HydrophobicContact CB-CB 4.37Å; A554-A557 PolarHBondContact O-N 3.38Å; A557-V560 PolarHBondContact O-N 3.35Å; A557-T561 WeakPolarHBondContact O-CB 3.47Å; A557-T561 PolarHBondContact O-N 3.04Å; A557-T561 PolarHBondContact O-OG1 2.88Å |
| 558 | R | 88.1 | Confident | 84.1 | Confident | 94 Ų | 94 | 64.5 Ų | 64.5 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 171.7 | -75.2 | -177.5 | -179.8 | 170.4 | 5.1 | 112.3 | A552 I553 A554 C555 S556 V560 T561 L562 | A552-R558 HydrophobicContact CB-CG 4.2Å; A552-R558 WeakPolarHBondContact O-CG 3.18Å; A552-R558 PolarHBondContact O-NE 3.4Å; I553-R558 PolarHBondContact O-NE 3.24Å; A554-R558 WeakPolarHBondContact O-CG 3.16Å; A554-R558 PolarHBondContact O-N 2.85Å; C555-R558 PolarHBondContact O-N 3.13Å; S556-R558 VanDerWaalsContact C-N 3.33Å; S556-R558 PolarHBondContact O-N 3.49Å; R558-V560 VanDerWaalsContact C-N 3.34Å; R558-V560 PolarHBondContact O-N 2.83Å; R558-T561 WeakPolarHBondContact O-CB 3.25Å; R558-T561 PolarHBondContact O-N 3.08Å; R558-L562 WeakPolarHBondContact O-CB 3.21Å; R558-L562 VanDerWaalsContact O-CG 3.31Å; R558-L562 WeakPolarHBondContact O-CG 3.42Å; R558-L562 PolarHBondContact O-N 3.48Å |
| 559 | T | 89.2 | Confident | 85 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 48% | 0.479 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 177.9 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | C555 S556 T561 L562 L563 | C555-T559 PolarHBondContact O-N 2.84Å; C555-T559 PolarHBondContact O-OG1 3.08Å; S556-T559 PolarHBondContact O-N 2.89Å; T559-T561 VanDerWaalsContact C-N 3.33Å; T559-T561 PolarHBondContact O-N 3.48Å; T559-L562 PolarHBondContact O-N 3.2Å; T559-L563 HydrophobicContact CG2-CD1 4.24Å; T559-L563 WeakPolarHBondContact O-CB 3.28Å; T559-L563 VanDerWaalsContact O-CG 3.32Å; T559-L563 WeakPolarHBondContact O-CG 3.46Å; T559-L563 PolarHBondContact O-N 2.83Å |
| 560 | V | 91.7 | Very high | 86.4 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 174.5 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | L505 I506 F509 S556 A557 R558 L562 L563 Y564 | L505-V560 HydrophobicContact CB-CG1 3.96Å; I506-V560 HydrophobicContact CG1-CB 4.38Å; I506-V560 HydrophobicContact CG1-CG1 3.82Å; F509-V560 HydrophobicContact CD2-CG2 3.39Å; F509-V560 HydrophobicContact CE2-CG2 3.34Å; F509-V560 HydrophobicContact CG-CG2 4.46Å; F509-V560 HydrophobicContact CZ-CG2 4.38Å; S556-V560 PolarHBondContact O-N 3.4Å; A557-V560 PolarHBondContact O-N 3.35Å; R558-V560 VanDerWaalsContact C-N 3.34Å; R558-V560 PolarHBondContact O-N 2.83Å; V560-L562 PolarHBondContact O-N 3.02Å; V560-L563 PolarHBondContact O-N 2.65Å; V560-Y564 WeakPolarHBondContact O-CB 3.48Å; V560-Y564 PolarHBondContact O-N 2.83Å |
| 561 | T | 89.4 | Confident | 87.6 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | F538 A557 R558 T559 Y564 W565 | F538-T561 HydrophobicContact CE1-CG2 3.9Å; F538-T561 HydrophobicContact CZ-CG2 3.58Å; A557-T561 WeakPolarHBondContact O-CB 3.47Å; A557-T561 PolarHBondContact O-N 3.04Å; A557-T561 PolarHBondContact O-OG1 2.88Å; R558-T561 WeakPolarHBondContact O-CB 3.25Å; R558-T561 PolarHBondContact O-N 3.08Å; T559-T561 VanDerWaalsContact C-N 3.33Å; T559-T561 PolarHBondContact O-N 3.48Å; T561-Y564 PolarHBondContact O-N 3.28Å; T561-W565 HydrophobicContact CG2-CD2 3.9Å; T561-W565 VanDerWaalsContact CG2-CE2 3.43Å; T561-W565 HydrophobicContact CG2-CE3 4.35Å; T561-W565 HydrophobicContact CG2-CG 4.49Å; T561-W565 HydrophobicContact CG2-CH2 3.99Å; T561-W565 HydrophobicContact CG2-CZ2 3.49Å; T561-W565 VanDerWaalsContact CG2-CZ2 3.49Å; T561-W565 HydrophobicContact CG2-CZ3 4.39Å; T561-W565 VanDerWaalsContact O-CG 3.28Å; T561-W565 PolarHBondContact O-N 2.76Å |
| 562 | L | 90.8 | Very high | 88.7 | Confident | 98 Ų | 98 | 56.2 Ų | 56.2 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 178 | -73.1 | 171.1 | 0 | 0 | 0 | 111.8 | R558 T559 V560 Y564 W565 L566 | R558-L562 WeakPolarHBondContact O-CB 3.21Å; R558-L562 VanDerWaalsContact O-CG 3.31Å; R558-L562 WeakPolarHBondContact O-CG 3.42Å; R558-L562 PolarHBondContact O-N 3.48Å; T559-L562 PolarHBondContact O-N 3.2Å; V560-L562 PolarHBondContact O-N 3.02Å; L562-Y564 VanDerWaalsContact C-N 3.33Å; L562-Y564 PolarHBondContact O-N 2.76Å; L562-W565 HydrophobicContact CD2-CE3 4.1Å; L562-W565 HydrophobicContact CD2-CZ3 4.29Å; L562-W565 PolarHBondContact O-N 3.36Å; L562-L566 WeakPolarHBondContact O-CG 3.5Å; L562-L566 PolarHBondContact O-N 2.88Å |
| 563 | L | 92.9 | Very high | 89.6 | Confident | 109 Ų | 109 | 58 Ų | 58 | 57% | 0.571 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63 | -41.5 | 176.6 | -71.7 | 173.5 | 0 | 0 | 0 | 111.5 | T559 V560 L566 L567 | T559-L563 HydrophobicContact CG2-CD1 4.24Å; T559-L563 WeakPolarHBondContact O-CB 3.28Å; T559-L563 VanDerWaalsContact O-CG 3.32Å; T559-L563 WeakPolarHBondContact O-CG 3.46Å; T559-L563 PolarHBondContact O-N 2.83Å; V560-L563 PolarHBondContact O-N 2.65Å; L563-L566 PolarHBondContact O-N 2.99Å; L563-L567 WeakPolarHBondContact O-CB 3.34Å; L563-L567 PolarHBondContact O-N 2.96Å |
| 564 | Y | 92.8 | Very high | 90.6 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 175.2 | 178.6 | -109.7 | 0 | 0 | 0 | 111.5 | A502 T539 V560 T561 L562 L566 L567 V568 | A502-Y564 HydrophobicContact CB-CD1 4.47Å; A502-Y564 HydrophobicContact CB-CD2 3.39Å; A502-Y564 HydrophobicContact CB-CE2 3.78Å; A502-Y564 HydrophobicContact CB-CG 3.79Å; T539-Y564 HydrophobicContact CG2-CD1 4.23Å; T539-Y564 HydrophobicContact CG2-CE1 3.95Å; T539-Y564 WeakPolarHBondContact O-CE1 3.37Å; T539-Y564 PolarHBondContact O-OH 3.43Å; V560-Y564 WeakPolarHBondContact O-CB 3.48Å; V560-Y564 PolarHBondContact O-N 2.83Å; T561-Y564 PolarHBondContact O-N 3.28Å; L562-Y564 VanDerWaalsContact C-N 3.33Å; L562-Y564 PolarHBondContact O-N 2.76Å; Y564-L566 VanDerWaalsContact C-N 3.33Å; Y564-L566 PolarHBondContact O-N 3.35Å; Y564-L567 WeakPolarHBondContact O-CB 3.43Å; Y564-L567 PolarHBondContact O-N 3Å; Y564-L567 VanDerWaalsContact O-N 3.15Å; Y564-V568 HydrophobicContact CD1-CG2 4.17Å; Y564-V568 HydrophobicContact CD2-CG2 4.27Å; Y564-V568 HydrophobicContact CE1-CG2 3.7Å; Y564-V568 HydrophobicContact CE2-CG2 3.82Å; Y564-V568 HydrophobicContact CG-CG2 4.43Å; Y564-V568 VanDerWaalsContact O-CG2 3.32Å; Y564-V568 WeakPolarHBondContact O-CG2 3.46Å; Y564-V568 PolarHBondContact O-N 2.98Å |
| 565 | W | 91.4 | Very high | 91.1 | Very high | 99 Ų | 99 | 61.3 Ų | 61.3 | 38% | 0.375 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 175.8 | -69 | -13.1 | 0 | 0 | 0 | 112.5 | F538 Q548 T561 L562 L567 V568 L569 | F538-W565 HydrophobicContact CZ-CZ2 4.24Å; Q548-W565 VanDerWaalsContact OE1-CZ2 3.25Å; Q548-W565 VanDerWaalsContact OE1-NE1 3.11Å; T561-W565 HydrophobicContact CG2-CD2 3.9Å; T561-W565 VanDerWaalsContact CG2-CE2 3.43Å; T561-W565 HydrophobicContact CG2-CE3 4.35Å; T561-W565 HydrophobicContact CG2-CG 4.49Å; T561-W565 HydrophobicContact CG2-CH2 3.99Å; T561-W565 HydrophobicContact CG2-CZ2 3.49Å; T561-W565 VanDerWaalsContact CG2-CZ2 3.49Å; T561-W565 HydrophobicContact CG2-CZ3 4.39Å; T561-W565 VanDerWaalsContact O-CG 3.28Å; T561-W565 PolarHBondContact O-N 2.76Å; L562-W565 HydrophobicContact CD2-CE3 4.1Å; L562-W565 HydrophobicContact CD2-CZ3 4.29Å; L562-W565 PolarHBondContact O-N 3.36Å; W565-L567 VanDerWaalsContact C-N 3.34Å; W565-V568 PolarHBondContact O-N 3.13Å; W565-L569 WeakPolarHBondContact O-CB 3.37Å; W565-L569 VanDerWaalsContact O-CG 3.29Å; W565-L569 WeakPolarHBondContact O-CG 3.36Å; W565-L569 PolarHBondContact O-N 3.32Å |
| 566 | L | 93.8 | Very high | 91.4 | Very high | 107 Ų | 107 | 61.7 Ų | 61.7 | 56% | 0.56 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61 | -43.9 | 173.1 | -73.5 | 175.4 | 0 | 0 | 0 | 111.4 | L562 L563 Y564 L569 V570 | L562-L566 WeakPolarHBondContact O-CG 3.5Å; L562-L566 PolarHBondContact O-N 2.88Å; L563-L566 PolarHBondContact O-N 2.99Å; Y564-L566 VanDerWaalsContact C-N 3.33Å; Y564-L566 PolarHBondContact O-N 3.35Å; L566-L569 PolarHBondContact O-N 2.69Å; L566-V570 WeakPolarHBondContact O-CG2 3.23Å; L566-V570 PolarHBondContact O-N 3.18Å; L566-V570 VanDerWaalsContact O-N 3.08Å |
| 567 | L | 93.8 | Very high | 91.5 | Very high | 80 Ų | 80 | 62.6 Ų | 62.6 | 42% | 0.419 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 176 | 177.2 | 64.8 | 0 | 0 | 0 | 111.5 | L563 Y564 W565 L569 V570 I571 | L563-L567 WeakPolarHBondContact O-CB 3.34Å; L563-L567 PolarHBondContact O-N 2.96Å; Y564-L567 WeakPolarHBondContact O-CB 3.43Å; Y564-L567 PolarHBondContact O-N 3Å; Y564-L567 VanDerWaalsContact O-N 3.15Å; W565-L567 VanDerWaalsContact C-N 3.34Å; L567-L569 PolarHBondContact O-N 3.48Å; L567-V570 PolarHBondContact O-N 2.82Å; L567-I571 HydrophobicContact CD1-CD1 3.98Å; L567-I571 HydrophobicContact CD1-CG1 4.33Å; L567-I571 HydrophobicContact CD2-CD1 4.46Å; L567-I571 HydrophobicContact CG-CD1 3.81Å; L567-I571 WeakPolarHBondContact O-CG1 3.48Å; L567-I571 PolarHBondContact O-N 3.2Å |
| 568 | V | 93.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 178.3 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | M543 M545 Y564 W565 V570 I571 Q572 | M543-V568 HydrophobicContact SD-CB 4.41Å; M543-V568 HydrophobicContact SD-CG1 3.83Å; M543-V568 HydrophobicContact SD-CG2 3.95Å; M545-V568 HydrophobicContact CE-CB 4.29Å; M545-V568 HydrophobicContact CE-CG1 3.21Å; Y564-V568 HydrophobicContact CD1-CG2 4.17Å; Y564-V568 HydrophobicContact CD2-CG2 4.27Å; Y564-V568 HydrophobicContact CE1-CG2 3.7Å; Y564-V568 HydrophobicContact CE2-CG2 3.82Å; Y564-V568 HydrophobicContact CG-CG2 4.43Å; Y564-V568 VanDerWaalsContact O-CG2 3.32Å; Y564-V568 WeakPolarHBondContact O-CG2 3.46Å; Y564-V568 PolarHBondContact O-N 2.98Å; W565-V568 PolarHBondContact O-N 3.13Å; V568-V570 VanDerWaalsContact C-N 3.28Å; V568-V570 PolarHBondContact O-N 3.48Å; V568-I571 PolarHBondContact O-N 3.31Å; V568-Q572 WeakPolarHBondContact O-CB 3.38Å; V568-Q572 PolarHBondContact O-N 2.97Å |
| 569 | L | 93.3 | Very high | 91.4 | Very high | 97 Ų | 97 | 63 Ų | 63 | 51% | 0.508 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 177.2 | -76.6 | 172.4 | 0 | 0 | 0 | 111.6 | M545 W565 L566 L567 A573 | M545-L569 HydrophobicContact CE-CD2 4.19Å; M545-L569 HydrophobicContact SD-CD2 4.39Å; W565-L569 WeakPolarHBondContact O-CB 3.37Å; W565-L569 VanDerWaalsContact O-CG 3.29Å; W565-L569 WeakPolarHBondContact O-CG 3.36Å; W565-L569 PolarHBondContact O-N 3.32Å; L566-L569 PolarHBondContact O-N 2.69Å; L567-L569 PolarHBondContact O-N 3.48Å; L569-A573 VanDerWaalsContact O-CB 3.31Å; L569-A573 WeakPolarHBondContact O-CB 3.25Å; L569-A573 PolarHBondContact O-N 2.98Å |
| 570 | V | 94.8 | Very high | 91 | Very high | 91 Ų | 91 | 63.2 Ų | 63.2 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.2 | -49.7 | 176.6 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | L566 L567 V568 Q572 A573 T574 | L566-V570 WeakPolarHBondContact O-CG2 3.23Å; L566-V570 PolarHBondContact O-N 3.18Å; L566-V570 VanDerWaalsContact O-N 3.08Å; L567-V570 PolarHBondContact O-N 2.82Å; V568-V570 VanDerWaalsContact C-N 3.28Å; V568-V570 PolarHBondContact O-N 3.48Å; V570-Q572 VanDerWaalsContact C-N 3.32Å; V570-Q572 PolarHBondContact O-N 2.78Å; V570-A573 PolarHBondContact O-N 3.49Å; V570-T574 PolarHBondContact O-N 2.76Å; V570-T574 PolarHBondContact O-OG1 2.89Å; V570-T574 VanDerWaalsContact O-OG1 3.06Å |
| 571 | I | 93.2 | Very high | 90.5 | Very high | 28 Ų | 28 | 64.8 Ų | 64.8 | 14% | 0.144 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.6 | -45.3 | -179.9 | -67.6 | 166.1 | 0 | 0 | 0 | 111 | F487 V495 M543 L567 V568 T574 W575 | F487-I571 HydrophobicContact CE2-CG2 3.87Å; F487-I571 HydrophobicContact CZ-CG2 4.22Å; V495-I571 HydrophobicContact CG2-CD1 4.4Å; V495-I571 HydrophobicContact CG2-CG2 4.2Å; M543-I571 HydrophobicContact CE-CG2 3.9Å; L567-I571 HydrophobicContact CD1-CD1 3.98Å; L567-I571 HydrophobicContact CD1-CG1 4.33Å; L567-I571 HydrophobicContact CD2-CD1 4.46Å; L567-I571 HydrophobicContact CG-CD1 3.81Å; L567-I571 WeakPolarHBondContact O-CG1 3.48Å; L567-I571 PolarHBondContact O-N 3.2Å; V568-I571 PolarHBondContact O-N 3.31Å; I571-T574 PolarHBondContact O-N 3.36Å; I571-W575 WeakPolarHBondContact O-CB 3.47Å; I571-W575 PolarHBondContact O-N 2.89Å |
| 572 | Q | 91.2 | Very high | 89.8 | Confident | 46 Ų | 46 | 68.2 Ų | 68.2 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | -179.6 | -173.8 | 63.8 | 18.6 | 0 | 0 | 111.8 | V568 V570 W575 Q576 | V568-Q572 WeakPolarHBondContact O-CB 3.38Å; V568-Q572 PolarHBondContact O-N 2.97Å; V570-Q572 VanDerWaalsContact C-N 3.32Å; V570-Q572 PolarHBondContact O-N 2.78Å; Q572-W575 PolarHBondContact O-N 3.12Å; Q572-Q576 WeakPolarHBondContact O-CB 3.13Å; Q572-Q576 VanDerWaalsContact O-CG 3.31Å; Q572-Q576 WeakPolarHBondContact O-CG 3.44Å; Q572-Q576 PolarHBondContact O-N 2.68Å |
| 573 | A | 93.2 | Very high | 88.9 | Confident | 53 Ų | 53 | 66.6 Ų | 66.6 | 44% | 0.438 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L569 V570 Q576 A577 | L569-A573 VanDerWaalsContact O-CB 3.31Å; L569-A573 WeakPolarHBondContact O-CB 3.25Å; L569-A573 PolarHBondContact O-N 2.98Å; V570-A573 PolarHBondContact O-N 3.49Å; A573-Q576 PolarHBondContact O-N 3.13Å; A573-A577 WeakPolarHBondContact O-CB 3.02Å; A573-A577 PolarHBondContact O-N 3.45Å |
| 574 | T | 92.5 | Very high | 87.8 | Confident | 74 Ų | 74 | 66.3 Ų | 66.3 | 45% | 0.454 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 176.4 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | F487 V570 I571 Q576 A577 D578 | F487-T574 HydrophobicContact CE1-CG2 4.12Å; F487-T574 HydrophobicContact CZ-CG2 4.39Å; V570-T574 PolarHBondContact O-N 2.76Å; V570-T574 PolarHBondContact O-OG1 2.89Å; V570-T574 VanDerWaalsContact O-OG1 3.06Å; I571-T574 PolarHBondContact O-N 3.36Å; T574-Q576 PolarHBondContact O-N 2.77Å; T574-A577 PolarHBondContact O-N 3.25Å; T574-D578 WeakPolarHBondContact O-CB 3.41Å; T574-D578 PolarHBondContact O-N 3.46Å |
| 575 | W | 90.6 | Very high | 86.4 | Confident | 58 Ų | 58 | 74.7 Ų | 74.7 | 22% | 0.22 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 177.1 | 177.2 | 73.5 | 0 | 0 | 0 | 111.9 | M483 F487 I571 Q572 L579 | M483-W575 PolarHBondContact O-NE1 2.68Å; F487-W575 HydrophobicContact CE2-CB 3.69Å; F487-W575 HydrophobicContact CE2-CG 4.21Å; F487-W575 HydrophobicContact CZ-CB 3.73Å; I571-W575 WeakPolarHBondContact O-CB 3.47Å; I571-W575 PolarHBondContact O-N 2.89Å; Q572-W575 PolarHBondContact O-N 3.12Å; W575-L579 HydrophobicContact CH2-CD2 3.97Å; W575-L579 HydrophobicContact CZ2-CD2 3.8Å; W575-L579 VanDerWaalsContact O-CB 3.23Å; W575-L579 WeakPolarHBondContact O-CB 3.29Å; W575-L579 PolarHBondContact O-N 3.15Å |
| 576 | Q | 88.7 | Confident | 84.9 | Confident | 103 Ų | 103 | 74.2 Ų | 74.2 | 48% | 0.481 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.6 | -74.2 | 178.6 | -22.4 | 0 | 0 | 112.6 | Q572 A573 T574 T580 | Q572-Q576 WeakPolarHBondContact O-CB 3.13Å; Q572-Q576 VanDerWaalsContact O-CG 3.31Å; Q572-Q576 WeakPolarHBondContact O-CG 3.44Å; Q572-Q576 PolarHBondContact O-N 2.68Å; A573-Q576 PolarHBondContact O-N 3.13Å; T574-Q576 PolarHBondContact O-N 2.77Å; Q576-T580 WeakPolarHBondContact O-CB 3.42Å; Q576-T580 PolarHBondContact O-N 2.87Å; Q576-T580 PolarHBondContact O-OG1 2.73Å |
| 577 | A | 90.9 | Very high | 83.2 | Confident | 63 Ų | 63 | 72.4 Ų | 72.4 | 52% | 0.521 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A573 T574 T580 A581 | A573-A577 WeakPolarHBondContact O-CB 3.02Å; A573-A577 PolarHBondContact O-N 3.45Å; T574-A577 PolarHBondContact O-N 3.25Å; A577-T580 PolarHBondContact O-N 2.97Å; A577-A581 WeakPolarHBondContact O-CB 3.41Å; A577-A581 PolarHBondContact O-N 3.32Å |
| 578 | D | 87.5 | Confident | 81.6 | Confident | 74 Ų | 74 | 72.1 Ų | 72.1 | 40% | 0.396 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.2 | -39.6 | -178 | -165.8 | 67.4 | 0 | 0 | 0 | 111.9 | P486 T574 T580 A581 F582 | P486-D578 WeakPolarHBondContact CA-OD2 3.31Å; P486-D578 HydrophobicContact CB-CB 4.15Å; P486-D578 VanDerWaalsContact CB-OD2 3.3Å; P486-D578 WeakPolarHBondContact CB-OD2 3.46Å; T574-D578 WeakPolarHBondContact O-CB 3.41Å; T574-D578 PolarHBondContact O-N 3.46Å; D578-T580 VanDerWaalsContact C-N 3.32Å; D578-T580 PolarHBondContact O-N 3.29Å; D578-A581 PolarHBondContact O-N 3.36Å; D578-F582 WeakPolarHBondContact O-CB 3.17Å; D578-F582 PolarHBondContact O-N 3.1Å |
| 579 | L | 83.4 | Confident | 80 | Confident | 28 Ų | 28 | 78 Ų | 78 | 15% | 0.147 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 171.9 | -177.4 | 62.3 | 0 | 0 | 0 | 111.9 | P486 W575 F582 L583 | P486-L579 HydrophobicContact CG-CB 3.91Å; P486-L579 HydrophobicContact CG-CD1 4Å; W575-L579 HydrophobicContact CH2-CD2 3.97Å; W575-L579 HydrophobicContact CZ2-CD2 3.8Å; W575-L579 VanDerWaalsContact O-CB 3.23Å; W575-L579 WeakPolarHBondContact O-CB 3.29Å; W575-L579 PolarHBondContact O-N 3.15Å; L579-F582 PolarHBondContact O-N 3.26Å; L579-L583 HydrophobicContact CD1-CD1 4.47Å; L579-L583 HydrophobicContact CD1-CG 4.45Å; L579-L583 HydrophobicContact CG-CD1 4.24Å; L579-L583 WeakPolarHBondContact O-CG 3.39Å; L579-L583 PolarHBondContact O-N 2.77Å |
| 580 | T | 81.5 | Confident | 78.8 | Confident | 84 Ų | 84 | 77.2 Ų | 77.2 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 177.6 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | Q576 A577 D578 F582 L583 T584 | Q576-T580 WeakPolarHBondContact O-CB 3.42Å; Q576-T580 PolarHBondContact O-N 2.87Å; Q576-T580 PolarHBondContact O-OG1 2.73Å; A577-T580 PolarHBondContact O-N 2.97Å; D578-T580 VanDerWaalsContact C-N 3.32Å; D578-T580 PolarHBondContact O-N 3.29Å; T580-F582 VanDerWaalsContact C-N 3.31Å; T580-F582 PolarHBondContact O-N 3.46Å; T580-L583 PolarHBondContact O-N 3.45Å; T580-T584 WeakPolarHBondContact O-CG2 3.32Å; T580-T584 PolarHBondContact O-N 3.26Å; T580-T584 VanDerWaalsContact O-N 3.09Å; T580-T584 PolarHBondContact O-OG1 3.15Å |
| 581 | A | 81 | Confident | 77.6 | Confident | 51 Ų | 51 | 76.9 Ų | 76.9 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A577 D578 T584 R585 | A577-A581 WeakPolarHBondContact O-CB 3.41Å; A577-A581 PolarHBondContact O-N 3.32Å; D578-A581 PolarHBondContact O-N 3.36Å; A581-T584 WeakPolarHBondContact CA-OG1 3.24Å; A581-T584 PolarHBondContact O-OG1 3.23Å; A581-R585 WeakPolarHBondContact O-CB 3.26Å; A581-R585 PolarHBondContact O-N 2.81Å |
| 582 | F | 75 | Confident | 76.8 | Confident | 80 Ų | 80 | 75.8 Ų | 75.8 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.1 | -46.9 | 175.5 | -173.6 | -92.4 | 0 | 0 | 0 | 112 | Q482 L485 D578 L579 T580 T584 R585 | Q482-F582 HydrophobicContact CB-CE1 4.28Å; Q482-F582 HydrophobicContact CG-CE1 3.86Å; Q482-F582 HydrophobicContact CG-CZ 4.49Å; L485-F582 HydrophobicContact CD1-CE1 4.43Å; L485-F582 HydrophobicContact CD1-CZ 4.09Å; D578-F582 WeakPolarHBondContact O-CB 3.17Å; D578-F582 PolarHBondContact O-N 3.1Å; L579-F582 PolarHBondContact O-N 3.26Å; T580-F582 VanDerWaalsContact C-N 3.31Å; T580-F582 PolarHBondContact O-N 3.46Å; F582-T584 PolarHBondContact O-N 2.86Å; F582-R585 PolarHBondContact O-N 3.34Å |
| 583 | L | 72 | Confident | 76.2 | Confident | 63 Ų | 63 | 77 Ų | 77 | 33% | 0.33 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.5 | -25.4 | 179.4 | -71.3 | 174.6 | 0 | 0 | 0 | 113.8 | L579 T580 V739 | L579-L583 HydrophobicContact CD1-CD1 4.47Å; L579-L583 HydrophobicContact CD1-CG 4.45Å; L579-L583 HydrophobicContact CG-CD1 4.24Å; L579-L583 WeakPolarHBondContact O-CG 3.39Å; L579-L583 PolarHBondContact O-N 2.77Å; T580-L583 PolarHBondContact O-N 3.45Å; L583-V739 HydrophobicContact CD1-CG2 4.39Å |
| 584 | T | 70.3 | Confident | 75.8 | Confident | 103 Ų | 103 | 75 Ų | 75 | 63% | 0.632 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -88.8 | -16.9 | 177.7 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | T580 A581 F582 | T580-T584 WeakPolarHBondContact O-CG2 3.32Å; T580-T584 PolarHBondContact O-N 3.26Å; T580-T584 VanDerWaalsContact O-N 3.09Å; T580-T584 PolarHBondContact O-OG1 3.15Å; A581-T584 WeakPolarHBondContact CA-OG1 3.24Å; A581-T584 PolarHBondContact O-OG1 3.23Å; F582-T584 PolarHBondContact O-N 2.86Å |
| 585 | R | 63.7 | Low | 75.4 | Confident | 186 Ų | 186 | 71.6 Ų | 71.6 | 70% | 0.702 | 39% | 0.388 | S | S | * | . | trans | -89.3 | 114.1 | -179 | -165.7 | -172.1 | -79.3 | -149 | -1.5 | 110.6 | A581 F582 V587 | A581-R585 WeakPolarHBondContact O-CB 3.26Å; A581-R585 PolarHBondContact O-N 2.81Å; F582-R585 PolarHBondContact O-N 3.34Å; R585-V587 HydrophobicContact CB-CG2 4.26Å; R585-V587 HydrophobicContact CG-CG2 3.58Å; R585-V587 PolarHBondContact O-N 3.49Å | ||
| 586 | N | 59.5 | Low | 75.2 | Confident | 88 Ų | 88 | 72.3 Ų | 72.3 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | trans | -76.5 | 85.4 | 168.9 | -66.4 | -23.7 | 0 | 0 | 0 | 109.7 | I588 N737 | N586-I588 PolarHBondContact O-N 3.47Å; N586-N737 PolarHBondContact OD1-ND2 3.33Å | ||
| 587 | V | 56.7 | Low | 75.1 | Confident | 69 Ų | 69 | 70.1 Ų | 70.1 | 42% | 0.418 | 39% | 0.385 | S | S | . | . | trans | -87.4 | 98.3 | 173.9 | -170.9 | 0 | 0 | 0 | 0 | 109 | R585 Q589 | R585-V587 HydrophobicContact CB-CG2 4.26Å; R585-V587 HydrophobicContact CG-CG2 3.58Å; R585-V587 PolarHBondContact O-N 3.49Å; V587-Q589 HydrophobicContact CG1-CG 3.92Å; V587-Q589 PolarHBondContact O-N 2.88Å | ||
| 588 | I | 60.7 | Low | 74.9 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | trans | -76.5 | 106.8 | 161.1 | -57.7 | 171.4 | 0 | 0 | 0 | 105.5 | T473 P474 N586 I590 | T473-I588 HydrophobicContact CG2-CG2 4.38Å; P474-I588 HydrophobicContact CG-CG2 3.68Å; N586-I588 PolarHBondContact O-N 3.47Å; I588-I590 HydrophobicContact CG2-CG1 4.31Å; I588-I590 PolarHBondContact O-N 2.83Å | ||
| 589 | Q | 61.1 | Low | 74.9 | Confident | 125 Ų | 125 | 64 Ų | 64 | 58% | 0.584 | 35% | 0.345 | S | S | * | . | trans | -76.1 | 94.2 | 174.3 | -73.5 | -173.7 | -27.9 | 0 | 0 | 108.6 | P474 N477 V587 P591 | P474-Q589 WeakPolarHBondContact CG-O 3.37Å; N477-Q589 PolarHBondContact ND2-OE1 3.38Å; V587-Q589 HydrophobicContact CG1-CG 3.92Å; V587-Q589 PolarHBondContact O-N 2.88Å; Q589-P591 WeakPolarHBondContact O-CD 3.46Å | ||
| 590 | I | 67.6 | Low | 75 | Confident | 79 Ų | 79 | 67.9 Ų | 67.9 | 41% | 0.405 | 37% | 0.37 | S | S | . | . | trans | -68.8 | 121 | 175.6 | -59.8 | 167 | 0 | 0 | 0 | 108 | I588 V592 V679 | I588-I590 HydrophobicContact CG2-CG1 4.31Å; I588-I590 PolarHBondContact O-N 2.83Å; I590-V592 VanDerWaalsContact C-N 3.3Å; I590-V592 WeakPolarHBondContact CG2-O 3.47Å; I590-V592 PolarHBondContact O-N 2.84Å; I590-V679 HydrophobicContact CD1-CG2 4.02Å; I590-V679 HydrophobicContact CG1-CG2 4.4Å; I590-V679 HydrophobicContact CG2-CB 4.38Å; I590-V679 HydrophobicContact CG2-CG1 4.09Å; I590-V679 HydrophobicContact CG2-CG2 3.54Å | ||
| 591 | P | 68.4 | Low | 75.2 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -71.5 | -23.2 | -171.4 | 26.6 | -34.5 | 0 | 0 | 0 | 113.9 | L471 Q589 | L471-P591 HydrophobicContact CD1-CG 4.35Å; Q589-P591 WeakPolarHBondContact O-CD 3.46Å |
| 592 | V | 77.3 | Confident | 75.3 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.03 | 38% | 0.375 | C | S | . | . | trans | -143.5 | 126.9 | -176.7 | -69.4 | 0 | 0 | 0 | 0 | 109.2 | I469 L471 I590 D597 L598 L603 | I469-V592 HydrophobicContact CG2-CG2 4.4Å; L471-V592 HydrophobicContact CD2-CG2 4.22Å; I590-V592 VanDerWaalsContact C-N 3.3Å; I590-V592 WeakPolarHBondContact CG2-O 3.47Å; I590-V592 PolarHBondContact O-N 2.84Å; V592-D597 HydrophobicContact CB-CB 4.06Å; V592-D597 HydrophobicContact CG1-CB 3.96Å; V592-L598 HydrophobicContact CB-CD2 4Å; V592-L598 HydrophobicContact CB-CG 4.47Å; V592-L598 HydrophobicContact CG1-CD2 4.2Å; V592-L598 HydrophobicContact CG2-CD2 3.68Å; V592-L603 HydrophobicContact CG1-CD1 3.74Å; V592-L603 HydrophobicContact CG2-CD1 4.05Å | ||
| 593 | S | 78.7 | Confident | 75.8 | Confident | 71 Ų | 71 | 64.6 Ų | 64.6 | 50% | 0.497 | 37% | 0.368 | S | S | . | . | trans | -115.7 | -16 | 177.4 | 58.2 | 0 | 0 | 0 | 0 | 113.2 | D597 | S593-D597 PolarHBondContact N-OD2 2.63Å; S593-D597 PolarHBondContact OG-OD2 2.92Å | ||
| 594 | S | 84.9 | Confident | 76.6 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 8% | 0.077 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -131.5 | 161 | -178.6 | 68.5 | 0 | 0 | 0 | 0 | 113 | E596 D597 L598 D681 | S594-E596 PolarHBondContact O-N 2.9Å; S594-D597 PolarHBondContact N-OD2 3.28Å; S594-D597 WeakPolarHBondContact O-CB 3.49Å; S594-D597 PolarHBondContact O-N 3.37Å; S594-D597 VanDerWaalsContact O-N 3.09Å; S594-D597 PolarHBondContact OG-N 3.46Å; S594-D597 PolarHBondContact OG-OD2 3.29Å; S594-L598 PolarHBondContact O-N 3.49Å; S594-D681 WeakPolarHBondContact CA-OD2 3.38Å |
| 595 | L | 84.5 | Confident | 77.6 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -31.9 | 171.7 | -166 | 70.4 | 0 | 0 | 0 | 111.9 | L467 D597 L598 A599 Y626 V629 L659 D681 V684 | L467-L595 HydrophobicContact CD2-CD1 3.73Å; L595-D597 VanDerWaalsContact C-N 3.35Å; L595-L598 HydrophobicContact CD1-CD1 4.11Å; L595-L598 WeakPolarHBondContact O-CB 3.38Å; L595-L598 PolarHBondContact O-N 3.09Å; L595-A599 PolarHBondContact O-N 3.45Å; L595-Y626 HydrophobicContact CD2-CD1 3.52Å; L595-Y626 HydrophobicContact CD2-CD2 3.98Å; L595-Y626 HydrophobicContact CD2-CE1 3.29Å; L595-Y626 HydrophobicContact CD2-CE2 3.77Å; L595-Y626 HydrophobicContact CD2-CG 3.89Å; L595-Y626 VanDerWaalsContact CD2-CZ 3.44Å; L595-V629 HydrophobicContact CD1-CB 4.29Å; L595-V629 HydrophobicContact CD1-CG1 3.83Å; L595-V629 HydrophobicContact CD1-CG2 3.95Å; L595-V629 HydrophobicContact CG-CG2 4.09Å; L595-L659 HydrophobicContact CD1-CD1 4.37Å; L595-D681 WeakPolarHBondContact CB-OD2 3.27Å; L595-D681 PolarHBondContact N-OD2 3.19Å; L595-V684 HydrophobicContact CD2-CG2 4.49Å |
| 596 | E | 86.3 | Confident | 78.8 | Confident | 73 Ų | 73 | 50 Ų | 50 | 34% | 0.341 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 174.1 | -64.2 | 165.5 | -161.6 | 0 | 0 | 110.9 | S594 L598 A599 T600 Y625 K683 | S594-E596 PolarHBondContact O-N 2.9Å; E596-L598 VanDerWaalsContact C-N 3.35Å; E596-A599 WeakPolarHBondContact O-CB 3.42Å; E596-A599 PolarHBondContact O-N 2.85Å; E596-T600 PolarHBondContact O-N 3.24Å; E596-T600 VanDerWaalsContact O-N 3.15Å; E596-T600 PolarHBondContact O-OG1 3.38Å; E596-Y625 HydrophobicContact CB-CD1 4.39Å; E596-Y625 HydrophobicContact CB-CG 4.44Å; E596-Y625 HydrophobicContact CG-CD1 4.44Å; E596-Y625 HydrophobicContact CG-CD2 3.98Å; E596-Y625 HydrophobicContact CG-CE2 4.33Å; E596-Y625 HydrophobicContact CG-CG 4.03Å; E596-K683 IonicContact OE1-NZ 3.44Å; E596-K683 PolarHBondContact OE1-NZ 2.98Å; E596-K683 IonicContact OE2-NZ 3.65Å; E596-K683 PolarHBondContact OE2-NZ 2.87Å |
| 597 | D | 86.9 | Confident | 80.3 | Confident | 56 Ų | 56 | 46.3 Ų | 46.3 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.1 | -35.6 | 173.9 | -54.9 | -41 | 0 | 0 | 0 | 111.5 | V592 S593 S594 L595 A599 T600 S601 | V592-D597 HydrophobicContact CB-CB 4.06Å; V592-D597 HydrophobicContact CG1-CB 3.96Å; S593-D597 PolarHBondContact N-OD2 2.63Å; S593-D597 PolarHBondContact OG-OD2 2.92Å; S594-D597 PolarHBondContact N-OD2 3.28Å; S594-D597 WeakPolarHBondContact O-CB 3.49Å; S594-D597 PolarHBondContact O-N 3.37Å; S594-D597 VanDerWaalsContact O-N 3.09Å; S594-D597 PolarHBondContact OG-N 3.46Å; S594-D597 PolarHBondContact OG-OD2 3.29Å; L595-D597 VanDerWaalsContact C-N 3.35Å; D597-A599 VanDerWaalsContact C-N 3.32Å; D597-A599 PolarHBondContact O-N 3.22Å; D597-T600 PolarHBondContact O-N 3.35Å; D597-T600 PolarHBondContact O-OG1 3.18Å; D597-S601 WeakPolarHBondContact O-CB 3.43Å; D597-S601 PolarHBondContact O-N 3.47Å; D597-S601 PolarHBondContact O-OG 3.14Å |
| 598 | L | 86.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -34.6 | 173.7 | -66.6 | 173.2 | 0 | 0 | 0 | 112.3 | I469 V592 S594 L595 E596 S601 L603 L605 V629 K632 V657 L659 | I469-L598 HydrophobicContact CD1-CD1 3.64Å; I469-L598 HydrophobicContact CD1-CG 4.25Å; I469-L598 HydrophobicContact CG1-CD1 3.93Å; I469-L598 HydrophobicContact CG2-CD1 4.18Å; I469-L598 HydrophobicContact CG2-CD2 4.17Å; V592-L598 HydrophobicContact CB-CD2 4Å; V592-L598 HydrophobicContact CB-CG 4.47Å; V592-L598 HydrophobicContact CG1-CD2 4.2Å; V592-L598 HydrophobicContact CG2-CD2 3.68Å; S594-L598 PolarHBondContact O-N 3.49Å; L595-L598 HydrophobicContact CD1-CD1 4.11Å; L595-L598 WeakPolarHBondContact O-CB 3.38Å; L595-L598 PolarHBondContact O-N 3.09Å; E596-L598 VanDerWaalsContact C-N 3.35Å; L598-S601 WeakPolarHBondContact CA-OG 3.27Å; L598-S601 PolarHBondContact O-OG 3.05Å; L598-L603 HydrophobicContact CD2-CD1 4.45Å; L598-L605 HydrophobicContact CB-CD1 4.17Å; L598-L605 HydrophobicContact CB-CD2 4.29Å; L598-L605 HydrophobicContact CD2-CD2 3.76Å; L598-L605 HydrophobicContact CG-CD2 4.47Å; L598-V629 HydrophobicContact CB-CG2 4.35Å; L598-K632 PolarHBondContact O-NZ 3.02Å; L598-V657 HydrophobicContact CD2-CG1 4.16Å; L598-L659 HydrophobicContact CD1-CD1 4.23Å; L598-L659 HydrophobicContact CD1-CD2 3.49Å; L598-L659 VanDerWaalsContact CD1-CD2 3.49Å; L598-L659 HydrophobicContact CD1-CG 4.49Å |
| 599 | A | 86.3 | Confident | 82.5 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L595 E596 D597 Y625 I628 V629 K632 | L595-A599 PolarHBondContact O-N 3.45Å; E596-A599 WeakPolarHBondContact O-CB 3.42Å; E596-A599 PolarHBondContact O-N 2.85Å; D597-A599 VanDerWaalsContact C-N 3.32Å; D597-A599 PolarHBondContact O-N 3.22Å; A599-Y625 HydrophobicContact CB-CD1 3.87Å; A599-Y625 HydrophobicContact CB-CG 4.46Å; A599-I628 HydrophobicContact CB-CB 4.3Å; A599-I628 HydrophobicContact CB-CG2 4.2Å; A599-V629 HydrophobicContact CB-CG2 3.9Å; A599-K632 PolarHBondContact O-NZ 3.05Å |
| 600 | T | 86.4 | Confident | 83.1 | Confident | 110 Ų | 110 | 42.1 Ų | 42.1 | 68% | 0.675 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -83.8 | -26.7 | -179 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | E596 D597 | E596-T600 PolarHBondContact O-N 3.24Å; E596-T600 VanDerWaalsContact O-N 3.15Å; E596-T600 PolarHBondContact O-OG1 3.38Å; D597-T600 PolarHBondContact O-N 3.35Å; D597-T600 PolarHBondContact O-OG1 3.18Å |
| 601 | S | 84.3 | Confident | 83.7 | Confident | 26 Ų | 26 | 39.1 Ų | 39.1 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -73 | 152.5 | -178.1 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | D597 L598 L603 K632 | D597-S601 WeakPolarHBondContact O-CB 3.43Å; D597-S601 PolarHBondContact O-N 3.47Å; D597-S601 PolarHBondContact O-OG 3.14Å; L598-S601 WeakPolarHBondContact CA-OG 3.27Å; L598-S601 PolarHBondContact O-OG 3.05Å; S601-L603 PolarHBondContact O-N 3.43Å; S601-K632 PolarHBondContact O-NZ 3.09Å |
| 602 | G | 83.5 | Confident | 84.1 | Confident | 84 Ų | 84 | 35.4 Ų | 35.4 | 87% | 0.866 | 22% | 0.223 | S | C | * | . | trans | -82.1 | 23.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 603 | L | 86.7 | Confident | 84.4 | Confident | 37 Ų | 37 | 35.2 Ų | 35.2 | 19% | 0.194 | 22% | 0.222 | C | C | . | . | trans | -81.8 | 147.6 | -176.9 | -63.2 | 170.3 | 0 | 0 | 0 | 111.2 | V592 L598 S601 L605 K655 V657 | V592-L603 HydrophobicContact CG1-CD1 3.74Å; V592-L603 HydrophobicContact CG2-CD1 4.05Å; L598-L603 HydrophobicContact CD2-CD1 4.45Å; S601-L603 PolarHBondContact O-N 3.43Å; L603-L605 HydrophobicContact CB-CD2 4.36Å; L603-L605 PolarHBondContact O-N 2.81Å; L603-K655 HydrophobicContact CD2-CB 4.38Å; L603-V657 HydrophobicContact CB-CG2 4.09Å; L603-V657 HydrophobicContact CD1-CG2 3.92Å; L603-V657 HydrophobicContact CG-CG2 4.43Å | ||
| 604 | S | 88.6 | Confident | 84.7 | Confident | 43 Ų | 43 | 32.5 Ų | 32.5 | 30% | 0.301 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 103.5 | 177.3 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | Y649 K655 N656 V657 | S604-Y649 WeakPolarHBondContact CB-OH 3.42Å; S604-Y649 PolarHBondContact O-OH 2.81Å; S604-Y649 VanDerWaalsContact O-OH 3.14Å; S604-Y649 PolarHBondContact OG-OH 3.49Å; S604-K655 PolarHBondContact N-O 3.17Å; S604-K655 PolarHBondContact OG-O 3.49Å; S604-K655 VanDerWaalsContact OG-O 3.11Å; S604-N656 PolarHBondContact OG-OD1 3.32Å; S604-V657 PolarHBondContact O-N 3.31Å |
| 605 | L | 90.4 | Very high | 84.6 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 136.5 | -176.9 | -49.8 | -177.9 | 0 | 0 | 0 | 110.7 | L598 L603 V629 K632 I633 N636 V657 | L598-L605 HydrophobicContact CB-CD1 4.17Å; L598-L605 HydrophobicContact CB-CD2 4.29Å; L598-L605 HydrophobicContact CD2-CD2 3.76Å; L598-L605 HydrophobicContact CG-CD2 4.47Å; L603-L605 HydrophobicContact CB-CD2 4.36Å; L603-L605 PolarHBondContact O-N 2.81Å; L605-V629 HydrophobicContact CD1-CB 4.28Å; L605-V629 HydrophobicContact CD1-CG1 3.8Å; L605-V629 HydrophobicContact CD1-CG2 4.07Å; L605-K632 HydrophobicContact CB-CB 4.39Å; L605-K632 HydrophobicContact CD1-CB 4.02Å; L605-K632 HydrophobicContact CD1-CD 3.84Å; L605-K632 HydrophobicContact CG-CB 4.29Å; L605-K632 HydrophobicContact CG-CD 4.24Å; L605-I633 HydrophobicContact CB-CG1 4.09Å; L605-N636 PolarHBondContact O-ND2 3.28Å; L605-V657 HydrophobicContact CD2-CB 3.93Å; L605-V657 HydrophobicContact CD2-CG1 4.18Å; L605-V657 HydrophobicContact CD2-CG2 4.47Å |
| 606 | A | 90 | Very high | 84.5 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 151.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | L640 Y649 V657 L658 L659 | A606-L640 HydrophobicContact CB-CD1 3.49Å; A606-L640 VanDerWaalsContact CB-CD1 3.49Å; A606-L640 HydrophobicContact CB-CG 4.25Å; A606-Y649 HydrophobicContact CB-CD1 3.8Å; A606-Y649 HydrophobicContact CB-CE1 3.42Å; A606-Y649 VanDerWaalsContact CB-CE1 3.42Å; A606-V657 PolarHBondContact N-O 3.09Å; A606-L658 CarbonylContact O-C 3.59Å; A606-L658 WeakPolarHBondContact O-CA 3.3Å; A606-L659 PolarHBondContact O-N 3.06Å |
| 607 | A | 90.1 | Very high | 84.5 | Confident | 9 Ų | 9 | 31 Ų | 31 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 154.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | K609 V614 I633 L659 | A607-K609 PolarHBondContact O-N 3.5Å; A607-V614 HydrophobicContact CB-CG2 3.42Å; A607-V614 VanDerWaalsContact CB-CG2 3.42Å; A607-I633 HydrophobicContact CB-CD1 4.23Å; A607-I633 HydrophobicContact CB-CG2 4.08Å; A607-L659 HydrophobicContact CB-CB 4.36Å |
| 608 | I | 85 | Confident | 84.4 | Confident | 19 Ų | 19 | 32.7 Ų | 32.7 | 10% | 0.097 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -63.6 | 129.5 | 177.8 | -59.7 | -178.7 | 0 | 0 | 0 | 109.1 | N610 S611 V614 R641 L643 D660 | I608-N610 PolarHBondContact O-N 3.19Å; I608-S611 VanDerWaalsContact O-CB 3.28Å; I608-S611 WeakPolarHBondContact O-CB 3.27Å; I608-S611 PolarHBondContact O-N 2.61Å; I608-S611 PolarHBondContact O-OG 3.16Å; I608-V614 VanDerWaalsContact O-CG2 3.3Å; I608-V614 WeakPolarHBondContact O-CG2 3.27Å; I608-R641 WeakPolarHBondContact CG2-O 3.32Å; I608-L643 HydrophobicContact CD1-CB 4Å; I608-L643 HydrophobicContact CD1-CD1 4.2Å; I608-D660 WeakPolarHBondContact CD1-OD2 3.02Å |
| 609 | K | 78.8 | Confident | 84 | Confident | 116 Ų | 116 | 36.1 Ų | 36.1 | 50% | 0.504 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 139.1 | -179.9 | -172 | -177.5 | 176.2 | -172 | 0 | 110.1 | A607 S611 V639 L640 | A607-K609 PolarHBondContact O-N 3.5Å; K609-S611 PolarHBondContact O-N 3.49Å; K609-S611 VanDerWaalsContact O-N 3.14Å; K609-V639 HydrophobicContact CB-CG1 4.34Å; K609-V639 HydrophobicContact CD-CG1 3.93Å; K609-L640 WeakPolarHBondContact CB-O 3.4Å; K609-L640 PolarHBondContact N-O 3.3Å |
| 610 | N | 73.9 | Confident | 83.7 | Confident | 47 Ų | 47 | 37 Ų | 37 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 12.6 | -179.1 | -55.5 | -30.8 | 0 | 0 | 0 | 115.3 | E431 V434 I608 | E431-N610 PolarHBondContact OE2-ND2 3.32Å; V434-N610 HydrophobicContact CG1-CB 4.42Å; V434-N610 HydrophobicContact CG2-CB 3.48Å; V434-N610 VanDerWaalsContact CG2-CB 3.48Å; I608-N610 PolarHBondContact O-N 3.19Å |
| 611 | S | 79.1 | Confident | 83.2 | Confident | 16 Ų | 16 | 35 Ų | 35 | 11% | 0.112 | 22% | 0.22 | C | C | . | . | trans | -67.1 | 162.4 | 177 | 79.4 | 0 | 0 | 0 | 0 | 112.6 | I608 K609 T613 V614 K615 | I608-S611 VanDerWaalsContact O-CB 3.28Å; I608-S611 WeakPolarHBondContact O-CB 3.27Å; I608-S611 PolarHBondContact O-N 2.61Å; I608-S611 PolarHBondContact O-OG 3.16Å; K609-S611 PolarHBondContact O-N 3.49Å; K609-S611 VanDerWaalsContact O-N 3.14Å; S611-T613 PolarHBondContact O-N 3.02Å; S611-T613 WeakPolarHBondContact OG-CB 3.39Å; S611-T613 PolarHBondContact OG-N 3.45Å; S611-V614 PolarHBondContact O-N 2.56Å; S611-V614 PolarHBondContact OG-N 2.96Å; S611-K615 WeakPolarHBondContact O-CG 3.43Å; S611-K615 PolarHBondContact O-N 2.57Å | ||
| 612 | G | 77 | Confident | 82.7 | Confident | 7 Ų | 7 | 39 Ų | 39 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.8 | -39.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K615 L616 | G612-K615 PolarHBondContact O-N 3.15Å; G612-L616 WeakPolarHBondContact O-CB 3.41Å; G612-L616 PolarHBondContact O-N 3.45Å |
| 613 | T | 83.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -48.8 | 178.3 | -33.7 | 0 | 0 | 0 | 0 | 112.7 | L467 S611 K615 L616 I617 D660 D661 | L467-T613 HydrophobicContact CD1-CG2 3.2Å; S611-T613 PolarHBondContact O-N 3.02Å; S611-T613 WeakPolarHBondContact OG-CB 3.39Å; S611-T613 PolarHBondContact OG-N 3.45Å; T613-K615 VanDerWaalsContact C-N 3.32Å; T613-K615 PolarHBondContact O-N 3.45Å; T613-L616 WeakPolarHBondContact O-CB 3.35Å; T613-L616 PolarHBondContact O-N 3.46Å; T613-I617 HydrophobicContact CG2-CD1 4.27Å; T613-I617 VanDerWaalsContact O-CG1 3.28Å; T613-I617 WeakPolarHBondContact O-CG1 3.22Å; T613-I617 PolarHBondContact O-N 3.15Å; T613-D660 PolarHBondContact OG1-OD1 3.01Å; T613-D661 PolarHBondContact OG1-OD1 2.99Å |
| 614 | V | 85.5 | Confident | 82.5 | Confident | 14 Ų | 14 | 43 Ų | 43 | 9% | 0.085 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 178.4 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | A607 I608 S611 I617 Q618 Y630 | A607-V614 HydrophobicContact CB-CG2 3.42Å; A607-V614 VanDerWaalsContact CB-CG2 3.42Å; I608-V614 VanDerWaalsContact O-CG2 3.3Å; I608-V614 WeakPolarHBondContact O-CG2 3.27Å; S611-V614 PolarHBondContact O-N 2.56Å; S611-V614 PolarHBondContact OG-N 2.96Å; V614-I617 PolarHBondContact O-N 3.36Å; V614-Q618 VanDerWaalsContact O-CB 3.27Å; V614-Q618 WeakPolarHBondContact O-CB 2.7Å; V614-Q618 PolarHBondContact O-N 3.48Å; V614-Y630 HydrophobicContact CG1-CE2 4.21Å |
| 615 | K | 82.1 | Confident | 82.5 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 177.5 | -71 | 177 | 169.7 | -123.7 | 0 | 112.5 | E451 S611 G612 T613 Q618 S619 | E451-K615 VanDerWaalsContact CD-NZ 3.35Å; E451-K615 IonicContact OE1-NZ 2.79Å; E451-K615 PolarHBondContact OE1-NZ 3.13Å; E451-K615 WeakPolarHBondContact OE2-CD 3.47Å; E451-K615 WeakPolarHBondContact OE2-CE 3.06Å; E451-K615 IonicContact OE2-NZ 3.53Å; E451-K615 PolarHBondContact OE2-NZ 2.96Å; S611-K615 WeakPolarHBondContact O-CG 3.43Å; S611-K615 PolarHBondContact O-N 2.57Å; G612-K615 PolarHBondContact O-N 3.15Å; T613-K615 VanDerWaalsContact C-N 3.32Å; T613-K615 PolarHBondContact O-N 3.45Å; K615-Q618 PolarHBondContact O-N 3.33Å; K615-S619 WeakPolarHBondContact O-CB 3.49Å; K615-S619 PolarHBondContact O-N 3.37Å; K615-S619 PolarHBondContact O-OG 2.88Å |
| 616 | L | 83.6 | Confident | 82.4 | Confident | 34 Ų | 34 | 47.1 Ų | 47.1 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.5 | -51.8 | 173.7 | -178.4 | 71.5 | 0 | 0 | 0 | 109.8 | G612 T613 Q618 S619 A620 V684 I686 | G612-L616 WeakPolarHBondContact O-CB 3.41Å; G612-L616 PolarHBondContact O-N 3.45Å; T613-L616 WeakPolarHBondContact O-CB 3.35Å; T613-L616 PolarHBondContact O-N 3.46Å; L616-Q618 VanDerWaalsContact C-N 3.32Å; L616-Q618 PolarHBondContact O-N 3.4Å; L616-S619 PolarHBondContact O-N 3.33Å; L616-S619 VanDerWaalsContact O-N 3.14Å; L616-S619 PolarHBondContact O-OG 2.82Å; L616-A620 WeakPolarHBondContact O-CB 3.43Å; L616-A620 PolarHBondContact O-N 3.48Å; L616-A620 VanDerWaalsContact O-N 3.07Å; L616-V684 HydrophobicContact CD2-CG1 3.78Å; L616-I686 HydrophobicContact CD2-CD1 4.27Å; L616-I686 HydrophobicContact CD2-CG1 3.95Å |
| 617 | I | 86 | Confident | 82.3 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.1 | -43 | 178.6 | -65.8 | 166.9 | 0 | 0 | 0 | 110.9 | T613 V614 S619 A620 Y626 V629 Y630 I633 L659 | T613-I617 HydrophobicContact CG2-CD1 4.27Å; T613-I617 VanDerWaalsContact O-CG1 3.28Å; T613-I617 WeakPolarHBondContact O-CG1 3.22Å; T613-I617 PolarHBondContact O-N 3.15Å; V614-I617 PolarHBondContact O-N 3.36Å; I617-S619 VanDerWaalsContact C-N 3.34Å; I617-S619 PolarHBondContact O-N 3.31Å; I617-A620 PolarHBondContact O-N 2.02Å; I617-Y626 HydrophobicContact CG1-CD1 4.48Å; I617-Y626 HydrophobicContact CG2-CD1 4.46Å; I617-V629 HydrophobicContact CD1-CG1 4.34Å; I617-V629 HydrophobicContact CG2-CG1 4.39Å; I617-Y630 HydrophobicContact CG2-CD2 4.2Å; I617-I633 HydrophobicContact CD1-CD1 3.89Å; I617-L659 HydrophobicContact CD1-CD1 4.39Å |
| 618 | Q | 83.9 | Confident | 82.2 | Confident | 91 Ų | 91 | 50.7 Ų | 50.7 | 43% | 0.425 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 176.8 | -173.7 | -178.2 | 5.8 | 0 | 0 | 112.6 | V614 K615 L616 A620 T621 Y630 | V614-Q618 VanDerWaalsContact O-CB 3.27Å; V614-Q618 WeakPolarHBondContact O-CB 2.7Å; V614-Q618 PolarHBondContact O-N 3.48Å; K615-Q618 PolarHBondContact O-N 3.33Å; L616-Q618 VanDerWaalsContact C-N 3.32Å; L616-Q618 PolarHBondContact O-N 3.4Å; Q618-A620 VanDerWaalsContact C-N 3.32Å; Q618-T621 VanDerWaalsContact O-CG2 3.23Å; Q618-T621 WeakPolarHBondContact O-CG2 3.08Å; Q618-T621 PolarHBondContact O-OG1 2.64Å; Q618-Y630 HydrophobicContact CB-CD2 4.1Å; Q618-Y630 HydrophobicContact CB-CE2 3.66Å; Q618-Y630 HydrophobicContact CG-CE2 3.89Å |
| 619 | S | 79.4 | Confident | 82.4 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -75.6 | -22.8 | 179 | 71.5 | 0 | 0 | 0 | 0 | 113.3 | K615 L616 I617 | K615-S619 WeakPolarHBondContact O-CB 3.49Å; K615-S619 PolarHBondContact O-N 3.37Å; K615-S619 PolarHBondContact O-OG 2.88Å; L616-S619 PolarHBondContact O-N 3.33Å; L616-S619 VanDerWaalsContact O-N 3.14Å; L616-S619 PolarHBondContact O-OG 2.82Å; I617-S619 VanDerWaalsContact C-N 3.34Å; I617-S619 PolarHBondContact O-N 3.31Å |
| 620 | A | 80.5 | Confident | 83 | Confident | 28 Ų | 28 | 46.7 Ų | 46.7 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 14.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L616 I617 Q618 A622 N623 Y626 | L616-A620 WeakPolarHBondContact O-CB 3.43Å; L616-A620 PolarHBondContact O-N 3.48Å; L616-A620 VanDerWaalsContact O-N 3.07Å; I617-A620 PolarHBondContact O-N 2.02Å; Q618-A620 VanDerWaalsContact C-N 3.32Å; A620-A622 PolarHBondContact O-N 3.11Å; A620-N623 PolarHBondContact O-N 3.02Å; A620-Y626 HydrophobicContact CB-CD1 3.47Å; A620-Y626 VanDerWaalsContact CB-CD1 3.47Å; A620-Y626 HydrophobicContact CB-CE1 3.8Å; A620-Y626 HydrophobicContact CB-CG 3.88Å; A620-Y626 WeakPolarHBondContact O-CB 3.17Å |
| 621 | T | 74.6 | Confident | 83.7 | Confident | 68 Ų | 68 | 51 Ų | 51 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -4.6 | -178.4 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | Q618 N623 | Q618-T621 VanDerWaalsContact O-CG2 3.23Å; Q618-T621 WeakPolarHBondContact O-CG2 3.08Å; Q618-T621 PolarHBondContact O-OG1 2.64Å; T621-N623 PolarHBondContact O-N 2.95Å |
| 622 | A | 73.5 | Confident | 84.2 | Confident | 108 Ų | 108 | 52.9 Ų | 52.9 | 89% | 0.893 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A620 | A620-A622 PolarHBondContact O-N 3.11Š|
| 623 | N | 82.3 | Confident | 84.8 | Confident | 67 Ų | 67 | 53.2 Ų | 53.2 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -89.5 | 131.2 | 172.6 | -172.5 | -14.7 | 0 | 0 | 0 | 110 | A620 T621 Y625 Y626 S627 | A620-N623 PolarHBondContact O-N 3.02Å; T621-N623 PolarHBondContact O-N 2.95Å; N623-Y625 VanDerWaalsContact C-N 3.34Å; N623-Y625 PolarHBondContact O-N 2.99Å; N623-Y625 WeakPolarHBondContact OD1-CD2 3.38Å; N623-Y625 PolarHBondContact OD1-N 3.31Å; N623-Y626 HydrophobicContact CB-CD2 3.69Å; N623-Y626 HydrophobicContact CB-CE2 4.39Å; N623-Y626 HydrophobicContact CB-CG 4.41Å; N623-Y626 PolarHBondContact O-N 3.02Å; N623-S627 PolarHBondContact O-N 2.77Å |
| 624 | E | 85.1 | Confident | 84.9 | Confident | 139 Ų | 139 | 58.8 Ų | 58.8 | 65% | 0.65 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -55.4 | -45.9 | -176.3 | -174.4 | 176.5 | 178.5 | 0 | 0 | 112 | Y626 S627 I628 | E624-Y626 VanDerWaalsContact C-N 3.33Å; E624-Y626 PolarHBondContact O-N 2.98Å; E624-S627 PolarHBondContact O-N 3.05Å; E624-S627 PolarHBondContact O-OG 3.37Å; E624-I628 HydrophobicContact CG-CD1 4.23Å; E624-I628 WeakPolarHBondContact O-CG1 3.35Å; E624-I628 PolarHBondContact O-N 3.43Å |
| 625 | Y | 87.8 | Confident | 84.9 | Confident | 91 Ų | 91 | 61.1 Ų | 61.1 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | -178.6 | -59.7 | -71 | 0 | 0 | 0 | 113 | E596 A599 N623 I628 V629 | E596-Y625 HydrophobicContact CB-CD1 4.39Å; E596-Y625 HydrophobicContact CB-CG 4.44Å; E596-Y625 HydrophobicContact CG-CD1 4.44Å; E596-Y625 HydrophobicContact CG-CD2 3.98Å; E596-Y625 HydrophobicContact CG-CE2 4.33Å; E596-Y625 HydrophobicContact CG-CG 4.03Å; A599-Y625 HydrophobicContact CB-CD1 3.87Å; A599-Y625 HydrophobicContact CB-CG 4.46Å; N623-Y625 VanDerWaalsContact C-N 3.34Å; N623-Y625 PolarHBondContact O-N 2.99Å; N623-Y625 WeakPolarHBondContact OD1-CD2 3.38Å; N623-Y625 PolarHBondContact OD1-N 3.31Å; Y625-I628 PolarHBondContact O-N 2.9Å; Y625-V629 WeakPolarHBondContact O-CG2 3.42Å; Y625-V629 PolarHBondContact O-N 2.95Å |
| 626 | Y | 88.3 | Confident | 85.1 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 16% | 0.157 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.2 | -37.6 | 178.6 | -77.9 | -103.2 | 0 | 0 | 0 | 111.6 | L595 I617 A620 N623 E624 V629 Y630 V684 | L595-Y626 HydrophobicContact CD2-CD1 3.52Å; L595-Y626 HydrophobicContact CD2-CD2 3.98Å; L595-Y626 HydrophobicContact CD2-CE1 3.29Å; L595-Y626 HydrophobicContact CD2-CE2 3.77Å; L595-Y626 HydrophobicContact CD2-CG 3.89Å; L595-Y626 VanDerWaalsContact CD2-CZ 3.44Å; I617-Y626 HydrophobicContact CG1-CD1 4.48Å; I617-Y626 HydrophobicContact CG2-CD1 4.46Å; A620-Y626 HydrophobicContact CB-CD1 3.47Å; A620-Y626 VanDerWaalsContact CB-CD1 3.47Å; A620-Y626 HydrophobicContact CB-CE1 3.8Å; A620-Y626 HydrophobicContact CB-CG 3.88Å; A620-Y626 WeakPolarHBondContact O-CB 3.17Å; N623-Y626 HydrophobicContact CB-CD2 3.69Å; N623-Y626 HydrophobicContact CB-CE2 4.39Å; N623-Y626 HydrophobicContact CB-CG 4.41Å; N623-Y626 PolarHBondContact O-N 3.02Å; E624-Y626 VanDerWaalsContact C-N 3.33Å; E624-Y626 PolarHBondContact O-N 2.98Å; Y626-V629 PolarHBondContact O-N 3.13Å; Y626-Y630 WeakPolarHBondContact O-CB 3.27Å; Y626-Y630 PolarHBondContact O-N 3.47Å; Y626-V684 WeakPolarHBondContact OH-CG2 3.47Å |
| 627 | S | 87.2 | Confident | 84.9 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 22% | 0.224 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 175.9 | 73.6 | 0 | 0 | 0 | 0 | 111.9 | N623 E624 Y630 E631 | N623-S627 PolarHBondContact O-N 2.77Å; E624-S627 PolarHBondContact O-N 3.05Å; E624-S627 PolarHBondContact O-OG 3.37Å; S627-Y630 WeakPolarHBondContact O-CB 3.49Å; S627-Y630 PolarHBondContact O-N 3.38Å; S627-E631 WeakPolarHBondContact O-CG 3.28Å; S627-E631 PolarHBondContact O-N 3.37Å |
| 628 | I | 88.9 | Confident | 84.6 | Confident | 54 Ų | 54 | 72.1 Ų | 72.1 | 28% | 0.277 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 177.4 | -64.4 | 167 | 0 | 0 | 0 | 110.8 | A599 E624 Y625 Y630 E631 K632 | A599-I628 HydrophobicContact CB-CB 4.3Å; A599-I628 HydrophobicContact CB-CG2 4.2Å; E624-I628 HydrophobicContact CG-CD1 4.23Å; E624-I628 WeakPolarHBondContact O-CG1 3.35Å; E624-I628 PolarHBondContact O-N 3.43Å; Y625-I628 PolarHBondContact O-N 2.9Å; I628-Y630 VanDerWaalsContact C-N 3.35Å; I628-E631 PolarHBondContact O-N 3.46Å; I628-K632 WeakPolarHBondContact O-CG 3.3Å; I628-K632 PolarHBondContact O-N 3.38Å |
| 629 | V | 89.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 177.1 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | L595 L598 A599 L605 I617 Y625 Y626 E631 K632 I633 L659 | L595-V629 HydrophobicContact CD1-CB 4.29Å; L595-V629 HydrophobicContact CD1-CG1 3.83Å; L595-V629 HydrophobicContact CD1-CG2 3.95Å; L595-V629 HydrophobicContact CG-CG2 4.09Å; L598-V629 HydrophobicContact CB-CG2 4.35Å; A599-V629 HydrophobicContact CB-CG2 3.9Å; L605-V629 HydrophobicContact CD1-CB 4.28Å; L605-V629 HydrophobicContact CD1-CG1 3.8Å; L605-V629 HydrophobicContact CD1-CG2 4.07Å; I617-V629 HydrophobicContact CD1-CG1 4.34Å; I617-V629 HydrophobicContact CG2-CG1 4.39Å; Y625-V629 WeakPolarHBondContact O-CG2 3.42Å; Y625-V629 PolarHBondContact O-N 2.95Å; Y626-V629 PolarHBondContact O-N 3.13Å; V629-E631 PolarHBondContact O-N 3.18Å; V629-K632 PolarHBondContact O-N 3.29Å; V629-I633 HydrophobicContact CG1-CD1 3.79Å; V629-I633 HydrophobicContact CG1-CG1 4.36Å; V629-I633 VanDerWaalsContact O-CG1 3.29Å; V629-I633 WeakPolarHBondContact O-CG1 3.42Å; V629-I633 PolarHBondContact O-N 3.06Å; V629-L659 HydrophobicContact CG1-CD1 4Å |
| 630 | Y | 90.5 | Very high | 84.3 | Confident | 51 Ų | 51 | 69.4 Ų | 69.4 | 20% | 0.2 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 175.8 | -173 | -109.1 | 0 | 0 | 0 | 111.9 | V614 I617 Q618 Y626 S627 I628 K632 I633 M634 | V614-Y630 HydrophobicContact CG1-CE2 4.21Å; I617-Y630 HydrophobicContact CG2-CD2 4.2Å; Q618-Y630 HydrophobicContact CB-CD2 4.1Å; Q618-Y630 HydrophobicContact CB-CE2 3.66Å; Q618-Y630 HydrophobicContact CG-CE2 3.89Å; Y626-Y630 WeakPolarHBondContact O-CB 3.27Å; Y626-Y630 PolarHBondContact O-N 3.47Å; S627-Y630 WeakPolarHBondContact O-CB 3.49Å; S627-Y630 PolarHBondContact O-N 3.38Å; I628-Y630 VanDerWaalsContact C-N 3.35Å; Y630-K632 VanDerWaalsContact C-N 3.33Å; Y630-K632 PolarHBondContact O-N 2.89Å; Y630-I633 PolarHBondContact O-N 2.83Å; Y630-M634 HydrophobicContact CD1-CG 4.2Å; Y630-M634 HydrophobicContact CD2-CG 4.36Å; Y630-M634 HydrophobicContact CE1-CG 3.81Å; Y630-M634 HydrophobicContact CE2-CG 3.97Å; Y630-M634 HydrophobicContact CE2-SD 4.27Å; Y630-M634 HydrophobicContact CG-CG 4.46Å; Y630-M634 WeakPolarHBondContact O-CB 3.4Å; Y630-M634 WeakPolarHBondContact O-CG 3.37Å; Y630-M634 PolarHBondContact O-N 2.82Å |
| 631 | E | 89.1 | Confident | 84.1 | Confident | 136 Ų | 136 | 76.6 Ų | 76.6 | 64% | 0.636 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.2 | -39.5 | 176.1 | -74.5 | -177.4 | 176.6 | 0 | 0 | 112.2 | S627 I628 V629 M634 G635 | S627-E631 WeakPolarHBondContact O-CG 3.28Å; S627-E631 PolarHBondContact O-N 3.37Å; I628-E631 PolarHBondContact O-N 3.46Å; V629-E631 PolarHBondContact O-N 3.18Å; E631-M634 PolarHBondContact O-N 2.69Å; E631-G635 WeakPolarHBondContact O-CA 3.44Å; E631-G635 PolarHBondContact O-N 3.3Å |
| 632 | K | 89 | Confident | 84.3 | Confident | 56 Ų | 56 | 77.6 Ų | 77.6 | 24% | 0.243 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 175.1 | -75.3 | -178.7 | -173.3 | 179.8 | 0 | 112.6 | L598 A599 S601 L605 I628 V629 Y630 N636 | L598-K632 PolarHBondContact O-NZ 3.02Å; A599-K632 PolarHBondContact O-NZ 3.05Å; S601-K632 PolarHBondContact O-NZ 3.09Å; L605-K632 HydrophobicContact CB-CB 4.39Å; L605-K632 HydrophobicContact CD1-CB 4.02Å; L605-K632 HydrophobicContact CD1-CD 3.84Å; L605-K632 HydrophobicContact CG-CB 4.29Å; L605-K632 HydrophobicContact CG-CD 4.24Å; I628-K632 WeakPolarHBondContact O-CG 3.3Å; I628-K632 PolarHBondContact O-N 3.38Å; V629-K632 PolarHBondContact O-N 3.29Å; Y630-K632 VanDerWaalsContact C-N 3.33Å; Y630-K632 PolarHBondContact O-N 2.89Å; K632-N636 PolarHBondContact O-N 3.36Å |
| 633 | I | 89.5 | Confident | 84.8 | Confident | 15 Ų | 15 | 72.9 Ų | 72.9 | 8% | 0.077 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64 | -47.6 | 176.7 | -65.8 | 164.2 | 0 | 0 | 0 | 109.8 | L605 A607 I617 V629 Y630 N636 L659 | L605-I633 HydrophobicContact CB-CG1 4.09Å; A607-I633 HydrophobicContact CB-CD1 4.23Å; A607-I633 HydrophobicContact CB-CG2 4.08Å; I617-I633 HydrophobicContact CD1-CD1 3.89Å; V629-I633 HydrophobicContact CG1-CD1 3.79Å; V629-I633 HydrophobicContact CG1-CG1 4.36Å; V629-I633 VanDerWaalsContact O-CG1 3.29Å; V629-I633 WeakPolarHBondContact O-CG1 3.42Å; V629-I633 PolarHBondContact O-N 3.06Å; Y630-I633 PolarHBondContact O-N 2.83Å; I633-N636 WeakPolarHBondContact O-CB 3.38Å; I633-N636 PolarHBondContact O-N 2.95Å; I633-L659 HydrophobicContact CD1-CD1 4.16Å |
| 634 | M | 86.1 | Confident | 84.9 | Confident | 118 Ų | 118 | 72 Ų | 72 | 58% | 0.581 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -72 | -27.9 | -178.2 | -67.6 | -56 | -60.5 | 0 | 0 | 113.4 | Y630 E631 N636 | Y630-M634 HydrophobicContact CD1-CG 4.2Å; Y630-M634 HydrophobicContact CD2-CG 4.36Å; Y630-M634 HydrophobicContact CE1-CG 3.81Å; Y630-M634 HydrophobicContact CE2-CG 3.97Å; Y630-M634 HydrophobicContact CE2-SD 4.27Å; Y630-M634 HydrophobicContact CG-CG 4.46Å; Y630-M634 WeakPolarHBondContact O-CB 3.4Å; Y630-M634 WeakPolarHBondContact O-CG 3.37Å; Y630-M634 PolarHBondContact O-N 2.82Å; E631-M634 PolarHBondContact O-N 2.69Å; M634-N636 VanDerWaalsContact C-N 3.28Å |
| 635 | G | 85.5 | Confident | 85 | Confident | 62 Ų | 62 | 68.9 Ų | 68.9 | 64% | 0.639 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -10.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E631 | E631-G635 WeakPolarHBondContact O-CA 3.44Å; E631-G635 PolarHBondContact O-N 3.3Å |
| 636 | N | 85.5 | Confident | 85 | Confident | 24 Ų | 24 | 64.5 Ų | 64.5 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | trans | -74.5 | 124.6 | 178.4 | -165.2 | -25.9 | 0 | 0 | 0 | 110.6 | L605 K632 I633 M634 Y638 Y649 | L605-N636 PolarHBondContact O-ND2 3.28Å; K632-N636 PolarHBondContact O-N 3.36Å; I633-N636 WeakPolarHBondContact O-CB 3.38Å; I633-N636 PolarHBondContact O-N 2.95Å; M634-N636 VanDerWaalsContact C-N 3.28Å; N636-Y638 PolarHBondContact O-N 3.38Å; N636-Y638 PolarHBondContact OD1-N 3.34Å; N636-Y638 VanDerWaalsContact OD1-N 3.09Å; N636-Y649 PolarHBondContact ND2-OH 3.19Å | ||
| 637 | P | 79.5 | Confident | 85 | Confident | 115 Ų | 115 | 62.9 Ų | 62.9 | 75% | 0.747 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -68.4 | -19.7 | 179.2 | 27.3 | -35.9 | 0 | 0 | 0 | 113.9 | V639 | P637-V639 PolarHBondContact O-N 2.96Š|
| 638 | Y | 80.2 | Confident | 85 | Confident | 149 Ų | 149 | 64 Ų | 64 | 58% | 0.584 | 34% | 0.341 | S | S | * | . | trans | -83.9 | 108.3 | 179.9 | -74.1 | -84.9 | 0 | 0 | 0 | 111.2 | N636 Y649 | N636-Y638 PolarHBondContact O-N 3.38Å; N636-Y638 PolarHBondContact OD1-N 3.34Å; N636-Y638 VanDerWaalsContact OD1-N 3.09Å; Y638-Y649 HydrophobicContact CD2-CD2 4.38Å; Y638-Y649 AromaticContact CD2-CE2 3.92Å; Y638-Y649 HydrophobicContact CD2-CE2 3.92Å; Y638-Y649 HydrophobicContact CG-CD2 4.16Å; Y638-Y649 HydrophobicContact CG-CE2 4.08Å | ||
| 639 | V | 76.3 | Confident | 85 | Confident | 97 Ų | 97 | 62.3 Ų | 62.3 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | trans | -86.7 | 112.7 | 175.2 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | K609 P637 | K609-V639 HydrophobicContact CB-CG1 4.34Å; K609-V639 HydrophobicContact CD-CG1 3.93Å; P637-V639 PolarHBondContact O-N 2.96Å | ||
| 640 | L | 80.9 | Confident | 85.1 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -87 | 126.1 | 176.2 | -61.7 | 178.4 | 0 | 0 | 0 | 110.7 | A606 K609 D645 L658 | A606-L640 HydrophobicContact CB-CD1 3.49Å; A606-L640 VanDerWaalsContact CB-CD1 3.49Å; A606-L640 HydrophobicContact CB-CG 4.25Å; K609-L640 WeakPolarHBondContact CB-O 3.4Å; K609-L640 PolarHBondContact N-O 3.3Å; L640-D645 HydrophobicContact CD2-CB 3.97Å; L640-L658 HydrophobicContact CD1-CD1 3.48Å; L640-L658 VanDerWaalsContact CD1-CD1 3.48Å |
| 641 | R | 76.6 | Confident | 84.9 | Confident | 178 Ų | 178 | 65.9 Ų | 65.9 | 67% | 0.672 | 35% | 0.345 | S | S | * | . | trans | -102.2 | -42.4 | 176.3 | -66.5 | -177.1 | -179.3 | 178.2 | -0.6 | 112.4 | I608 | I608-R641 WeakPolarHBondContact CG2-O 3.32Š| ||
| 642 | N | 79 | Confident | 84.9 | Confident | 89 Ų | 89 | 65.2 Ų | 65.2 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -121.4 | 157.5 | -177.1 | -63.2 | -6.9 | 0 | 0 | 0 | 110.5 | S644 D645 G646 | N642-S644 PolarHBondContact O-N 3.16Å; N642-D645 PolarHBondContact O-N 3.25Å; N642-D645 VanDerWaalsContact O-N 3.12Å; N642-G646 PolarHBondContact O-N 3.44Å |
| 643 | L | 84 | Confident | 84.7 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59 | -33 | 176.1 | -174.3 | 53.8 | 0 | 0 | 0 | 112.3 | I608 D645 G646 V647 L658 L665 Y668 | I608-L643 HydrophobicContact CD1-CB 4Å; I608-L643 HydrophobicContact CD1-CD1 4.2Å; L643-D645 VanDerWaalsContact C-N 3.34Å; L643-D645 PolarHBondContact O-N 3.3Å; L643-G646 PolarHBondContact O-N 2.96Å; L643-G646 VanDerWaalsContact O-N 3.15Å; L643-V647 PolarHBondContact O-N 2.92Å; L643-L658 HydrophobicContact CD1-CD2 3.93Å; L643-L665 HydrophobicContact CD1-CD2 3.86Å; L643-Y668 HydrophobicContact CB-CD2 4.32Å; L643-Y668 HydrophobicContact CB-CE2 4.37Å; L643-Y668 HydrophobicContact CD2-CD1 4.35Å; L643-Y668 HydrophobicContact CD2-CD2 3.51Å; L643-Y668 HydrophobicContact CD2-CE2 4.35Å; L643-Y668 HydrophobicContact CD2-CG 3.51Å; L643-Y668 HydrophobicContact CG-CD1 4.18Å; L643-Y668 HydrophobicContact CG-CD2 3.79Å; L643-Y668 HydrophobicContact CG-CE2 4.2Å; L643-Y668 HydrophobicContact CG-CG 3.78Å |
| 644 | S | 84.3 | Confident | 84.3 | Confident | 48 Ų | 48 | 69.1 Ų | 69.1 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 175 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | N642 G646 V647 A648 Y668 | N642-S644 PolarHBondContact O-N 3.16Å; S644-G646 VanDerWaalsContact C-N 3.3Å; S644-V647 PolarHBondContact O-N 3.38Å; S644-A648 WeakPolarHBondContact O-CB 3.35Å; S644-A648 PolarHBondContact O-N 3.3Å; S644-A648 VanDerWaalsContact O-N 3.07Å; S644-Y668 WeakPolarHBondContact CA-OH 3.2Å; S644-Y668 VanDerWaalsContact CB-OH 3.23Å; S644-Y668 WeakPolarHBondContact CB-OH 3.38Å |
| 645 | D | 87 | Confident | 84.3 | Confident | 74 Ų | 74 | 69.9 Ų | 69.9 | 40% | 0.396 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.5 | -35.4 | 179.4 | -58 | -17.8 | 0 | 0 | 0 | 109.8 | L640 N642 L643 A648 Y649 | L640-D645 HydrophobicContact CD2-CB 3.97Å; N642-D645 PolarHBondContact O-N 3.25Å; N642-D645 VanDerWaalsContact O-N 3.12Å; L643-D645 VanDerWaalsContact C-N 3.34Å; L643-D645 PolarHBondContact O-N 3.3Å; D645-A648 PolarHBondContact O-N 2.84Å; D645-Y649 VanDerWaalsContact O-CB 3.31Å; D645-Y649 WeakPolarHBondContact O-CB 3.47Å; D645-Y649 PolarHBondContact O-N 3.05Å |
| 646 | G | 87.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N642 L643 S644 Y649 V650 | N642-G646 PolarHBondContact O-N 3.44Å; L643-G646 PolarHBondContact O-N 2.96Å; L643-G646 VanDerWaalsContact O-N 3.15Å; S644-G646 VanDerWaalsContact C-N 3.3Å; G646-Y649 WeakPolarHBondContact O-CB 3.25Å; G646-Y649 PolarHBondContact O-N 3.14Å; G646-V650 PolarHBondContact O-N 2.88Å |
| 647 | V | 88.5 | Confident | 84.8 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | L470 L643 S644 Y649 V650 R651 Y668 L669 L676 | L470-V647 HydrophobicContact CD2-CG2 3.85Å; L643-V647 PolarHBondContact O-N 2.92Å; S644-V647 PolarHBondContact O-N 3.38Å; V647-Y649 VanDerWaalsContact C-N 3.29Å; V647-Y649 PolarHBondContact O-N 3.5Å; V647-V650 PolarHBondContact O-N 3.3Å; V647-R651 WeakPolarHBondContact O-CG 3.19Å; V647-R651 PolarHBondContact O-N 3.44Å; V647-Y668 HydrophobicContact CB-CD1 4.48Å; V647-Y668 HydrophobicContact CB-CE1 3.96Å; V647-Y668 HydrophobicContact CG1-CE1 4.35Å; V647-Y668 HydrophobicContact CG2-CD1 3.54Å; V647-Y668 HydrophobicContact CG2-CE1 3.45Å; V647-Y668 VanDerWaalsContact CG2-CE1 3.45Å; V647-L669 HydrophobicContact CG1-CD2 4.3Å; V647-L676 HydrophobicContact CG1-CD1 3.71Å |
| 648 | A | 88.1 | Confident | 85.4 | Confident | 57 Ų | 57 | 61.1 Ų | 61.1 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S644 D645 R651 N652 | S644-A648 WeakPolarHBondContact O-CB 3.35Å; S644-A648 PolarHBondContact O-N 3.3Å; S644-A648 VanDerWaalsContact O-N 3.07Å; D645-A648 PolarHBondContact O-N 2.84Å; A648-R651 PolarHBondContact O-N 3.5Å; A648-N652 PolarHBondContact O-N 3.48Å; A648-N652 VanDerWaalsContact O-N 3.16Å |
| 649 | Y | 89.6 | Confident | 85.9 | Confident | 17 Ų | 17 | 54 Ų | 54 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.7 | 171.7 | -98.9 | 0 | 0 | 0 | 112.2 | S604 A606 N636 Y638 D645 G646 V647 N652 N656 | S604-Y649 WeakPolarHBondContact CB-OH 3.42Å; S604-Y649 PolarHBondContact O-OH 2.81Å; S604-Y649 VanDerWaalsContact O-OH 3.14Å; S604-Y649 PolarHBondContact OG-OH 3.49Å; A606-Y649 HydrophobicContact CB-CD1 3.8Å; A606-Y649 HydrophobicContact CB-CE1 3.42Å; A606-Y649 VanDerWaalsContact CB-CE1 3.42Å; N636-Y649 PolarHBondContact ND2-OH 3.19Å; Y638-Y649 HydrophobicContact CD2-CD2 4.38Å; Y638-Y649 AromaticContact CD2-CE2 3.92Å; Y638-Y649 HydrophobicContact CD2-CE2 3.92Å; Y638-Y649 HydrophobicContact CG-CD2 4.16Å; Y638-Y649 HydrophobicContact CG-CE2 4.08Å; D645-Y649 VanDerWaalsContact O-CB 3.31Å; D645-Y649 WeakPolarHBondContact O-CB 3.47Å; D645-Y649 PolarHBondContact O-N 3.05Å; G646-Y649 WeakPolarHBondContact O-CB 3.25Å; G646-Y649 PolarHBondContact O-N 3.14Å; V647-Y649 VanDerWaalsContact C-N 3.29Å; V647-Y649 PolarHBondContact O-N 3.5Å; Y649-N652 PolarHBondContact O-N 3.05Å; Y649-N656 HydrophobicContact CD1-CB 3.9Å; Y649-N656 HydrophobicContact CE1-CB 3.5Å; Y649-N656 HydrophobicContact CE2-CB 4.4Å; Y649-N656 VanDerWaalsContact CE2-ND2 3.34Å; Y649-N656 WeakPolarHBondContact CE2-ND2 3.4Å; Y649-N656 HydrophobicContact CG-CB 4.5Å; Y649-N656 WeakPolarHBondContact O-CB 3.48Å; Y649-N656 PolarHBondContact O-ND2 3.03Å |
| 650 | V | 89.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 175.3 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | L470 N472 G646 V647 N652 S653 L658 L676 | L470-V650 HydrophobicContact CD2-CB 4.35Å; L470-V650 HydrophobicContact CD2-CG2 4.02Å; L470-V650 HydrophobicContact CG-CG1 4.33Å; L470-V650 HydrophobicContact CG-CG2 4.18Å; N472-V650 PolarHBondContact ND2-O 2.86Å; G646-V650 PolarHBondContact O-N 2.88Å; V647-V650 PolarHBondContact O-N 3.3Å; V650-N652 PolarHBondContact O-N 3.3Å; V650-N652 VanDerWaalsContact O-N 3.16Å; V650-S653 PolarHBondContact O-N 2.96Å; V650-L658 HydrophobicContact CG2-CB 3.48Å; V650-L658 VanDerWaalsContact CG2-CB 3.48Å; V650-L676 HydrophobicContact CB-CD2 4.24Å; V650-L676 HydrophobicContact CG1-CD2 3.52Å |
| 651 | R | 87.6 | Confident | 86.9 | Confident | 127 Ų | 127 | 49.4 Ų | 49.4 | 48% | 0.479 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.3 | -27.7 | 178.9 | -76.6 | 178.8 | 170.3 | 166.8 | -2.2 | 114.3 | V647 A648 S653 E673 L676 | V647-R651 WeakPolarHBondContact O-CG 3.19Å; V647-R651 PolarHBondContact O-N 3.44Å; A648-R651 PolarHBondContact O-N 3.5Å; R651-S653 VanDerWaalsContact C-N 3.35Å; R651-S653 PolarHBondContact O-N 3.49Å; R651-E673 IonicContact CZ-OE1 3.34Å; R651-E673 IonicContact NE-OE1 3.58Å; R651-E673 IonicContact NH2-OE1 2.78Å; R651-E673 PolarHBondContact NH2-OE1 2.63Å; R651-E673 IonicContact NH2-OE2 3.89Å; R651-E673 PolarHBondContact NH2-OE2 3.23Å; R651-L676 HydrophobicContact CG-CD1 3.98Å; R651-L676 HydrophobicContact CG-CD2 4.25Å; R651-L676 HydrophobicContact CG-CG 4.41Å |
| 652 | N | 87.7 | Confident | 87.6 | Confident | 121 Ų | 121 | 42.9 Ų | 42.9 | 65% | 0.647 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -69 | -30.6 | -177.3 | -170.3 | 29.7 | 0 | 0 | 0 | 113.3 | A648 Y649 V650 | A648-N652 PolarHBondContact O-N 3.48Å; A648-N652 VanDerWaalsContact O-N 3.16Å; Y649-N652 PolarHBondContact O-N 3.05Å; V650-N652 PolarHBondContact O-N 3.3Å; V650-N652 VanDerWaalsContact O-N 3.16Å |
| 653 | S | 85.2 | Confident | 87.9 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 27% | 0.273 | 21% | 0.206 | S | C | . | . | trans | -153.6 | 138.4 | -175 | 159.3 | 0 | 0 | 0 | 0 | 111.9 | N472 V650 R651 K655 N656 | N472-S653 VanDerWaalsContact ND2-C 3.35Å; N472-S653 PolarHBondContact ND2-O 2.83Å; N472-S653 VanDerWaalsContact ND2-O 3.12Å; V650-S653 PolarHBondContact O-N 2.96Å; R651-S653 VanDerWaalsContact C-N 3.35Å; R651-S653 PolarHBondContact O-N 3.49Å; S653-K655 PolarHBondContact O-N 3.13Å; S653-K655 VanDerWaalsContact O-N 3.14Å; S653-K655 PolarHBondContact OG-N 3.46Å; S653-N656 WeakPolarHBondContact O-CB 3.46Å; S653-N656 PolarHBondContact O-N 3.48Å; S653-N656 VanDerWaalsContact O-N 3.09Å; S653-N656 PolarHBondContact OG-OD1 3.16Å | ||
| 654 | T | 82.3 | Confident | 88 | Confident | 114 Ų | 114 | 38.7 Ų | 38.7 | 70% | 0.699 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.4 | 176.1 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | N472 | N472-T654 HydrophobicContact CB-CG2 4.2Š|
| 655 | K | 85.5 | Confident | 88.2 | Confident | 134 Ų | 134 | 36.5 Ų | 36.5 | 58% | 0.583 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -10 | 175.5 | -62.1 | -174.9 | 179.2 | -177.5 | 0 | 113.8 | L603 S604 S653 | L603-K655 HydrophobicContact CD2-CB 4.38Å; S604-K655 PolarHBondContact N-O 3.17Å; S604-K655 PolarHBondContact OG-O 3.49Å; S604-K655 VanDerWaalsContact OG-O 3.11Å; S653-K655 PolarHBondContact O-N 3.13Å; S653-K655 VanDerWaalsContact O-N 3.14Å; S653-K655 PolarHBondContact OG-N 3.46Å |
| 656 | N | 90 | Very high | 88.1 | Confident | 16 Ų | 16 | 34.8 Ų | 34.8 | 9% | 0.086 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.1 | -176.9 | -68.8 | 9.5 | 0 | 0 | 0 | 109.5 | S604 Y649 S653 | S604-N656 PolarHBondContact OG-OD1 3.32Å; Y649-N656 HydrophobicContact CD1-CB 3.9Å; Y649-N656 HydrophobicContact CE1-CB 3.5Å; Y649-N656 HydrophobicContact CE2-CB 4.4Å; Y649-N656 VanDerWaalsContact CE2-ND2 3.34Å; Y649-N656 WeakPolarHBondContact CE2-ND2 3.4Å; Y649-N656 HydrophobicContact CG-CB 4.5Å; Y649-N656 WeakPolarHBondContact O-CB 3.48Å; Y649-N656 PolarHBondContact O-ND2 3.03Å; S653-N656 WeakPolarHBondContact O-CB 3.46Å; S653-N656 PolarHBondContact O-N 3.48Å; S653-N656 VanDerWaalsContact O-N 3.09Å; S653-N656 PolarHBondContact OG-OD1 3.16Å |
| 657 | V | 90.6 | Very high | 88 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.2 | 179.1 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | I469 L470 L598 L603 S604 L605 A606 L659 | I469-V657 HydrophobicContact CG2-CG1 3.42Å; I469-V657 VanDerWaalsContact CG2-CG1 3.42Å; L470-V657 WeakPolarHBondContact O-CA 3.49Å; L598-V657 HydrophobicContact CD2-CG1 4.16Å; L603-V657 HydrophobicContact CB-CG2 4.09Å; L603-V657 HydrophobicContact CD1-CG2 3.92Å; L603-V657 HydrophobicContact CG-CG2 4.43Å; S604-V657 PolarHBondContact O-N 3.31Å; L605-V657 HydrophobicContact CD2-CB 3.93Å; L605-V657 HydrophobicContact CD2-CG1 4.18Å; L605-V657 HydrophobicContact CD2-CG2 4.47Å; A606-V657 PolarHBondContact N-O 3.09Å; V657-L659 HydrophobicContact CG1-CD2 3.98Å |
| 658 | L | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.1 | 172.2 | 172.3 | 73.1 | 0 | 0 | 0 | 109.6 | L470 A606 L640 L643 V650 L665 | L470-L658 HydrophobicContact CB-CB 4.12Å; L470-L658 HydrophobicContact CD2-CB 4.3Å; L470-L658 HydrophobicContact CD2-CD2 3.83Å; L470-L658 PolarHBondContact N-O 3.04Å; L470-L658 PolarHBondContact O-N 2.71Å; A606-L658 CarbonylContact O-C 3.59Å; A606-L658 WeakPolarHBondContact O-CA 3.3Å; L640-L658 HydrophobicContact CD1-CD1 3.48Å; L640-L658 VanDerWaalsContact CD1-CD1 3.48Å; L643-L658 HydrophobicContact CD1-CD2 3.93Å; V650-L658 HydrophobicContact CG2-CB 3.48Å; V650-L658 VanDerWaalsContact CG2-CB 3.48Å; L658-L665 HydrophobicContact CD2-CD2 3.81Å |
| 659 | L | 91.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.7 | 173.4 | -55.3 | -178.6 | 0 | 0 | 0 | 109.8 | L467 I469 L595 L598 A606 A607 I617 V629 I633 V657 | L467-L659 HydrophobicContact CD1-CB 4.42Å; I469-L659 HydrophobicContact CB-CD2 4.25Å; I469-L659 HydrophobicContact CG1-CD2 3.93Å; I469-L659 HydrophobicContact CG2-CD2 4.04Å; L595-L659 HydrophobicContact CD1-CD1 4.37Å; L598-L659 HydrophobicContact CD1-CD1 4.23Å; L598-L659 HydrophobicContact CD1-CD2 3.49Å; L598-L659 VanDerWaalsContact CD1-CD2 3.49Å; L598-L659 HydrophobicContact CD1-CG 4.49Å; A606-L659 PolarHBondContact O-N 3.06Å; A607-L659 HydrophobicContact CB-CB 4.36Å; I617-L659 HydrophobicContact CD1-CD1 4.39Å; V629-L659 HydrophobicContact CG1-CD1 4Å; I633-L659 HydrophobicContact CD1-CD1 4.16Å; V657-L659 HydrophobicContact CG1-CD2 3.98Å |
| 660 | D | 90.1 | Very high | 86.9 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 179.5 | 176.1 | -148 | -18 | 0 | 0 | 0 | 110.5 | G468 I608 T613 R662 L665 | G468-D660 CarbonylContact C-O 3.03Å; G468-D660 VanDerWaalsContact CA-O 3.3Å; G468-D660 WeakPolarHBondContact CA-O 3.45Å; G468-D660 PolarHBondContact N-O 3.12Å; G468-D660 PolarHBondContact O-N 3.47Å; G468-D660 VanDerWaalsContact O-N 3.13Å; G468-D660 VanDerWaalsContact O-O 3.07Å; I608-D660 WeakPolarHBondContact CD1-OD2 3.02Å; T613-D660 PolarHBondContact OG1-OD1 3.01Å; D660-R662 PolarHBondContact O-N 3.26Å; D660-L665 HydrophobicContact CB-CD1 3.99Å; D660-L665 HydrophobicContact CB-CD2 4.03Å; D660-L665 HydrophobicContact CB-CG 3.95Å |
| 661 | D | 88.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 127.7 | 173.4 | -65.3 | -16.9 | 0 | 0 | 0 | 110.6 | T613 I663 Q664 L665 | T613-D661 PolarHBondContact OG1-OD1 2.99Å; D661-I663 VanDerWaalsContact C-N 3.32Å; D661-I663 PolarHBondContact O-N 2.98Å; D661-Q664 HydrophobicContact CB-CB 4.24Å; D661-Q664 HydrophobicContact CB-CG 3.9Å; D661-Q664 PolarHBondContact O-N 2.92Å; D661-Q664 PolarHBondContact OD2-NE2 3.34Å; D661-L665 PolarHBondContact O-N 3.01Å; D661-L665 VanDerWaalsContact O-N 3.1Å |
| 662 | R | 89.5 | Confident | 84.9 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 15% | 0.151 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.6 | -44.6 | -174.7 | 175.8 | -165.1 | 71 | 97.8 | -3.5 | 111.7 | D465 T466 D660 Q664 L665 L666 V678 D680 | D465-R662 IonicContact OD1-CZ 3.84Å; D465-R662 IonicContact OD1-NE 2.85Å; D465-R662 PolarHBondContact OD1-NE 3.35Å; D465-R662 IonicContact OD1-NH2 3.52Å; D465-R662 PolarHBondContact OD2-N 3.44Å; T466-R662 WeakPolarHBondContact O-CB 3.13Å; T466-R662 PolarHBondContact O-N 3.17Å; T466-R662 VanDerWaalsContact O-N 3.08Å; T466-R662 VanDerWaalsContact OG1-CD 3.31Å; T466-R662 WeakPolarHBondContact OG1-CD 3.33Å; T466-R662 PolarHBondContact OG1-NE 3.4Å; D660-R662 PolarHBondContact O-N 3.26Å; R662-Q664 VanDerWaalsContact C-N 3.29Å; R662-Q664 PolarHBondContact O-N 3.26Å; R662-L665 PolarHBondContact O-N 3.49Å; R662-L666 HydrophobicContact CG-CD1 3.88Å; R662-L666 WeakPolarHBondContact O-CD1 3.26Å; R662-L666 PolarHBondContact O-N 3.04Å; R662-V678 HydrophobicContact CG-CG1 4.27Å; R662-D680 VanDerWaalsContact CD-CB 3.46Å; R662-D680 HydrophobicContact CG-CB 4.27Å |
| 663 | I | 86.8 | Confident | 84 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | -177.7 | -73.1 | 162.6 | 0 | 0 | 0 | 110.8 | P387 M463 D465 D661 L666 H667 V724 | P387-I663 HydrophobicContact CG-CG2 3.81Å; M463-I663 HydrophobicContact CE-CD1 3.18Å; M463-I663 HydrophobicContact CE-CG1 4.44Å; M463-I663 HydrophobicContact CE-CG2 4.42Å; D465-I663 HydrophobicContact CB-CD1 3.88Å; D465-I663 VanDerWaalsContact OD1-CD1 3.28Å; D465-I663 WeakPolarHBondContact OD1-CD1 3.49Å; D465-I663 VanDerWaalsContact OD1-CG1 3.25Å; D465-I663 WeakPolarHBondContact OD1-CG1 3.46Å; D465-I663 PolarHBondContact OD1-N 3.05Å; D465-I663 WeakPolarHBondContact OD2-CB 3.29Å; D465-I663 PolarHBondContact OD2-N 3.1Å; D661-I663 VanDerWaalsContact C-N 3.32Å; D661-I663 PolarHBondContact O-N 2.98Å; I663-L666 PolarHBondContact O-N 3.17Å; I663-H667 PolarHBondContact O-N 2.84Å; I663-H667 VanDerWaalsContact O-N 3.12Å; I663-H667 PolarHBondContact O-ND1 3.29Å; I663-V724 HydrophobicContact CD1-CG1 3.58Å; I663-V724 HydrophobicContact CG1-CG1 4.05Å; I663-V724 HydrophobicContact CG2-CG1 3.83Å |
| 664 | Q | 85.3 | Confident | 83.3 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 176.4 | -63.8 | -170.4 | 43.6 | 0 | 0 | 111.1 | Y388 D661 R662 L666 H667 Y668 | Y388-Q664 HydrophobicContact CE2-CG 4.05Å; D661-Q664 HydrophobicContact CB-CB 4.24Å; D661-Q664 HydrophobicContact CB-CG 3.9Å; D661-Q664 PolarHBondContact O-N 2.92Å; D661-Q664 PolarHBondContact OD2-NE2 3.34Å; R662-Q664 VanDerWaalsContact C-N 3.29Å; R662-Q664 PolarHBondContact O-N 3.26Å; Q664-L666 PolarHBondContact O-N 3.5Å; Q664-H667 PolarHBondContact O-N 3.14Å; Q664-Y668 WeakPolarHBondContact O-CB 3.34Å; Q664-Y668 PolarHBondContact O-N 2.81Å |
| 665 | L | 87.8 | Confident | 83 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.9 | -67.3 | 169.4 | 0 | 0 | 0 | 112.5 | G468 L470 L643 L658 D660 D661 R662 H667 L669 V678 | G468-L665 WeakPolarHBondContact O-CD1 3.11Å; L470-L665 HydrophobicContact CB-CD1 4.14Å; L470-L665 HydrophobicContact CB-CD2 4.04Å; L470-L665 HydrophobicContact CD2-CD2 4.11Å; L643-L665 HydrophobicContact CD1-CD2 3.86Å; L658-L665 HydrophobicContact CD2-CD2 3.81Å; D660-L665 HydrophobicContact CB-CD1 3.99Å; D660-L665 HydrophobicContact CB-CD2 4.03Å; D660-L665 HydrophobicContact CB-CG 3.95Å; D661-L665 PolarHBondContact O-N 3.01Å; D661-L665 VanDerWaalsContact O-N 3.1Å; R662-L665 PolarHBondContact O-N 3.49Å; L665-H667 VanDerWaalsContact C-N 3.34Å; L665-H667 PolarHBondContact O-N 3.09Å; L665-L669 WeakPolarHBondContact O-CG 3.41Å; L665-L669 PolarHBondContact O-N 3.08Å; L665-V678 HydrophobicContact CB-CG1 4.02Å; L665-V678 HydrophobicContact CB-CG2 3.81Å; L665-V678 HydrophobicContact CD1-CG1 4.18Å |
| 666 | L | 86.1 | Confident | 82.9 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 20% | 0.199 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -38.4 | 177.3 | -97 | 68.3 | 0 | 0 | 0 | 112.2 | R662 I663 Q664 V678 K726 | R662-L666 HydrophobicContact CG-CD1 3.88Å; R662-L666 WeakPolarHBondContact O-CD1 3.26Å; R662-L666 PolarHBondContact O-N 3.04Å; I663-L666 PolarHBondContact O-N 3.17Å; Q664-L666 PolarHBondContact O-N 3.5Å; L666-V678 HydrophobicContact CD1-CB 3.61Å; L666-V678 HydrophobicContact CD1-CG1 3.5Å; L666-V678 VanDerWaalsContact CD1-CG1 3.5Å; L666-V678 HydrophobicContact CD1-CG2 4.01Å; L666-K726 HydrophobicContact CD2-CB 4.15Å; L666-K726 WeakPolarHBondContact O-CD 2.98Å; L666-K726 WeakPolarHBondContact O-CE 3.49Å; L666-K726 PolarHBondContact O-NZ 3.39Å |
| 667 | H | 84.4 | Confident | 82.6 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 14% | 0.139 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -78.3 | -31.8 | -178.2 | -76.8 | 80 | 0 | 0 | 0 | 113.4 | P386 I663 Q664 L665 N723 V724 | P386-H667 HydrophobicContact CB-CB 4.11Å; P386-H667 HydrophobicContact CG-CB 4.19Å; I663-H667 PolarHBondContact O-N 2.84Å; I663-H667 VanDerWaalsContact O-N 3.12Å; I663-H667 PolarHBondContact O-ND1 3.29Å; Q664-H667 PolarHBondContact O-N 3.14Å; L665-H667 VanDerWaalsContact C-N 3.34Å; L665-H667 PolarHBondContact O-N 3.09Å; H667-N723 PolarHBondContact NE2-O 2.79Å; H667-V724 PolarHBondContact CE1-O 2.82Å; H667-V724 VanDerWaalsContact CE1-O 3.3Å |
| 668 | Y | 83.6 | Confident | 82.4 | Confident | 92 Ų | 92 | 44.2 Ų | 44.2 | 36% | 0.361 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.7 | -35.1 | 178.4 | -173.3 | -88.4 | 0 | 0 | 0 | 112.8 | L643 S644 V647 Q664 | L643-Y668 HydrophobicContact CB-CD2 4.32Å; L643-Y668 HydrophobicContact CB-CE2 4.37Å; L643-Y668 HydrophobicContact CD2-CD1 4.35Å; L643-Y668 HydrophobicContact CD2-CD2 3.51Å; L643-Y668 HydrophobicContact CD2-CE2 4.35Å; L643-Y668 HydrophobicContact CD2-CG 3.51Å; L643-Y668 HydrophobicContact CG-CD1 4.18Å; L643-Y668 HydrophobicContact CG-CD2 3.79Å; L643-Y668 HydrophobicContact CG-CE2 4.2Å; L643-Y668 HydrophobicContact CG-CG 3.78Å; S644-Y668 WeakPolarHBondContact CA-OH 3.2Å; S644-Y668 VanDerWaalsContact CB-OH 3.23Å; S644-Y668 WeakPolarHBondContact CB-OH 3.38Å; V647-Y668 HydrophobicContact CB-CD1 4.48Å; V647-Y668 HydrophobicContact CB-CE1 3.96Å; V647-Y668 HydrophobicContact CG1-CE1 4.35Å; V647-Y668 HydrophobicContact CG2-CD1 3.54Å; V647-Y668 HydrophobicContact CG2-CE1 3.45Å; V647-Y668 VanDerWaalsContact CG2-CE1 3.45Å; Q664-Y668 WeakPolarHBondContact O-CB 3.34Å; Q664-Y668 PolarHBondContact O-N 2.81Å |
| 669 | L | 82.4 | Confident | 82 | Confident | 17 Ų | 17 | 44.7 Ų | 44.7 | 9% | 0.089 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -73.1 | 135.7 | 177.5 | -65.7 | 176.2 | 0 | 0 | 0 | 111.5 | L470 V647 L665 E673 L676 V678 K726 | L470-L669 HydrophobicContact CD1-CD1 3.74Å; L470-L669 HydrophobicContact CD1-CD2 4.47Å; V647-L669 HydrophobicContact CG1-CD2 4.3Å; L665-L669 WeakPolarHBondContact O-CG 3.41Å; L665-L669 PolarHBondContact O-N 3.08Å; L669-E673 HydrophobicContact CD2-CG 4.47Å; L669-L676 HydrophobicContact CD1-CB 4.29Å; L669-L676 HydrophobicContact CD2-CB 4.33Å; L669-L676 HydrophobicContact CD2-CD1 3.63Å; L669-V678 HydrophobicContact CD1-CG2 3.65Å; L669-K726 PolarHBondContact O-NZ 2.84Å |
| 670 | P | 76.9 | Confident | 81.7 | Confident | 72 Ų | 72 | 47.6 Ų | 47.6 | 47% | 0.468 | 25% | 0.246 | S | C | . | . | trans | -68.2 | 147.1 | 172.9 | 26.6 | -28.7 | 0 | 0 | 0 | 110.4 | N672 E673 | P670-N672 PolarHBondContact O-N 2.59Å; P670-N672 VanDerWaalsContact O-N 3.11Å; P670-E673 HydrophobicContact CG-CB 4.08Å; P670-E673 WeakPolarHBondContact CG-OE2 3.47Å; P670-E673 VanDerWaalsContact O-CB 3.23Å; P670-E673 WeakPolarHBondContact O-CB 3.35Å; P670-E673 PolarHBondContact O-N 3Å | ||
| 671 | D | 69.7 | Low | 81.4 | Confident | 122 Ų | 122 | 47.7 Ų | 47.7 | 65% | 0.652 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.7 | -171.7 | -59.6 | -29.4 | 0 | 0 | 0 | 113.4 | E673 K726 | D671-E673 VanDerWaalsContact C-N 3.31Å; D671-E673 PolarHBondContact O-N 2.98Å; D671-K726 IonicContact OD1-NZ 2.66Å; D671-K726 PolarHBondContact OD1-NZ 3.34Å |
| 672 | N | 65.6 | Low | 80.9 | Confident | 157 Ų | 157 | 54.7 Ų | 54.7 | 84% | 0.84 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 8.5 | 175.9 | -68.1 | -1.5 | 0 | 0 | 0 | 113.8 | P670 E674 | P670-N672 PolarHBondContact O-N 2.59Å; P670-N672 VanDerWaalsContact O-N 3.11Å; N672-E674 PolarHBondContact O-N 2.9Å |
| 673 | E | 69.8 | Low | 80.4 | Confident | 33 Ų | 33 | 59.1 Ų | 59.1 | 15% | 0.154 | 30% | 0.298 | C | S | . | . | trans | -76.9 | 105.9 | 179.4 | -162.6 | 78.6 | -163.7 | 0 | 0 | 111 | R651 L669 P670 D671 T675 L676 | R651-E673 IonicContact CZ-OE1 3.34Å; R651-E673 IonicContact NE-OE1 3.58Å; R651-E673 IonicContact NH2-OE1 2.78Å; R651-E673 PolarHBondContact NH2-OE1 2.63Å; R651-E673 IonicContact NH2-OE2 3.89Å; R651-E673 PolarHBondContact NH2-OE2 3.23Å; L669-E673 HydrophobicContact CD2-CG 4.47Å; P670-E673 HydrophobicContact CG-CB 4.08Å; P670-E673 WeakPolarHBondContact CG-OE2 3.47Å; P670-E673 VanDerWaalsContact O-CB 3.23Å; P670-E673 WeakPolarHBondContact O-CB 3.35Å; P670-E673 PolarHBondContact O-N 3Å; D671-E673 VanDerWaalsContact C-N 3.31Å; D671-E673 PolarHBondContact O-N 2.98Å; E673-T675 PolarHBondContact OE1-OG1 3.07Å; E673-L676 HydrophobicContact CG-CB 4.13Å; E673-L676 HydrophobicContact CG-CD1 4.38Å; E673-L676 HydrophobicContact CG-CG 4.42Å | ||
| 674 | E | 69.3 | Low | 80.2 | Confident | 168 Ų | 168 | 59.3 Ų | 59.3 | 79% | 0.785 | 30% | 0.299 | S | S | * | . | trans | -93.5 | -17.4 | 174.2 | -66 | -177.5 | 175.9 | 0 | 0 | 112.9 | T473 N672 | T473-E674 WeakPolarHBondContact CB-O 2.83Å; T473-E674 PolarHBondContact OG1-O 2.06Å; N672-E674 PolarHBondContact O-N 2.9Å | ||
| 675 | T | 76.9 | Confident | 80.1 | Confident | 78 Ų | 78 | 63.7 Ų | 63.7 | 48% | 0.479 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -79 | -22 | -173.4 | 74.2 | 0 | 0 | 0 | 0 | 113.8 | N472 T473 E673 | N472-T675 CarbonylContact C-O 3.37Å; N472-T675 WeakPolarHBondContact CA-O 3.27Å; T473-T675 PolarHBondContact N-O 3.39Å; T473-T675 PolarHBondContact OG1-O 2.84Å; E673-T675 PolarHBondContact OE1-OG1 3.07Å |
| 676 | L | 83.9 | Confident | 80 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.6 | -176.4 | -65.5 | 172.3 | 0 | 0 | 0 | 110.6 | L470 L471 N472 T473 V647 V650 R651 L669 E673 | L470-L676 HydrophobicContact CD1-CB 4.06Å; L471-L676 WeakPolarHBondContact O-CA 3.41Å; N472-L676 WeakPolarHBondContact OD1-CD2 3.27Å; T473-L676 PolarHBondContact OG1-N 3.24Å; V647-L676 HydrophobicContact CG1-CD1 3.71Å; V650-L676 HydrophobicContact CB-CD2 4.24Å; V650-L676 HydrophobicContact CG1-CD2 3.52Å; R651-L676 HydrophobicContact CG-CD1 3.98Å; R651-L676 HydrophobicContact CG-CD2 4.25Å; R651-L676 HydrophobicContact CG-CG 4.41Å; L669-L676 HydrophobicContact CD1-CB 4.29Å; L669-L676 HydrophobicContact CD2-CB 4.33Å; L669-L676 HydrophobicContact CD2-CD1 3.63Å; E673-L676 HydrophobicContact CG-CB 4.13Å; E673-L676 HydrophobicContact CG-CD1 4.38Å; E673-L676 HydrophobicContact CG-CG 4.42Å |
| 677 | T | 83 | Confident | 79.9 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 13% | 0.129 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135 | 175.1 | 48.5 | 0 | 0 | 0 | 0 | 110.1 | L471 T473 | L471-T677 WeakPolarHBondContact CD1-OG1 3.44Å; L471-T677 PolarHBondContact N-O 3.45Å; L471-T677 PolarHBondContact O-N 3.07Å; L471-T677 PolarHBondContact O-OG1 3.48Å; T473-T677 HydrophobicContact CG2-CG2 3.9Å; T473-T677 VanDerWaalsContact OG1-CG2 3.23Å; T473-T677 WeakPolarHBondContact OG1-CG2 3.4Å |
| 678 | V | 86.1 | Confident | 80 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 128.4 | 169 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | I469 L470 R662 L665 L666 L669 | I469-V678 WeakPolarHBondContact O-CA 3.44Å; L470-V678 HydrophobicContact CD1-CG2 3.67Å; R662-V678 HydrophobicContact CG-CG1 4.27Å; L665-V678 HydrophobicContact CB-CG1 4.02Å; L665-V678 HydrophobicContact CB-CG2 3.81Å; L665-V678 HydrophobicContact CD1-CG1 4.18Å; L666-V678 HydrophobicContact CD1-CB 3.61Å; L666-V678 HydrophobicContact CD1-CG1 3.5Å; L666-V678 VanDerWaalsContact CD1-CG1 3.5Å; L666-V678 HydrophobicContact CD1-CG2 4.01Å; L669-V678 HydrophobicContact CD1-CG2 3.65Å |
| 679 | V | 85.1 | Confident | 80.1 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.2 | 179 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | I469 L471 I590 | I469-V679 HydrophobicContact CB-CB 4.36Å; I469-V679 WeakPolarHBondContact CB-O 3.37Å; I469-V679 PolarHBondContact N-O 2.93Å; I469-V679 PolarHBondContact O-N 2.97Å; L471-V679 HydrophobicContact CD2-CB 4.37Å; L471-V679 HydrophobicContact CD2-CG2 3.8Å; I590-V679 HydrophobicContact CD1-CG2 4.02Å; I590-V679 HydrophobicContact CG1-CG2 4.4Å; I590-V679 HydrophobicContact CG2-CB 4.38Å; I590-V679 HydrophobicContact CG2-CG1 4.09Å; I590-V679 HydrophobicContact CG2-CG2 3.54Å |
| 680 | D | 85 | Confident | 80.1 | Confident | 60 Ų | 60 | 57 Ų | 57 | 32% | 0.321 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 133.3 | -177.4 | 65 | -44.4 | 0 | 0 | 0 | 112 | L467 R662 K682 | L467-D680 WeakPolarHBondContact O-CA 3.44Å; R662-D680 VanDerWaalsContact CD-CB 3.46Å; R662-D680 HydrophobicContact CG-CB 4.27Å; D680-K682 WeakPolarHBondContact OD2-CE 3.49Å; D680-K682 VanDerWaalsContact OD2-CG 3.23Å; D680-K682 WeakPolarHBondContact OD2-CG 3.21Å |
| 681 | D | 84.5 | Confident | 80.2 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 97.4 | 165 | -172 | -10 | 0 | 0 | 0 | 109.8 | L467 S594 L595 K683 V684 | L467-D681 HydrophobicContact CB-CB 4.34Å; L467-D681 PolarHBondContact O-N 3.14Å; S594-D681 WeakPolarHBondContact CA-OD2 3.38Å; L595-D681 WeakPolarHBondContact CB-OD2 3.27Å; L595-D681 PolarHBondContact N-OD2 3.19Å; D681-K683 PolarHBondContact O-N 3.16Å; D681-K683 VanDerWaalsContact OD1-CB 3.32Å; D681-K683 WeakPolarHBondContact OD1-CB 3.46Å; D681-K683 PolarHBondContact OD1-N 2.92Å; D681-V684 HydrophobicContact CB-CG2 4.36Å; D681-V684 PolarHBondContact O-N 3.43Å; D681-V684 VanDerWaalsContact O-N 3.1Å |
| 682 | K | 78.2 | Confident | 80.5 | Confident | 152 Ų | 152 | 47.9 Ų | 47.9 | 66% | 0.661 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65 | -15.3 | -179.7 | -62.2 | -175.8 | -180 | -174.9 | 0 | 114.1 | D680 V684 | D680-K682 WeakPolarHBondContact OD2-CE 3.49Å; D680-K682 VanDerWaalsContact OD2-CG 3.23Å; D680-K682 WeakPolarHBondContact OD2-CG 3.21Å; K682-V684 VanDerWaalsContact C-N 3.3Å |
| 683 | K | 78 | Confident | 80.9 | Confident | 133 Ų | 133 | 46 Ų | 46 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -23.8 | 175.2 | -64.3 | 176.1 | 173.2 | 177.8 | 0 | 111.8 | E596 D681 | E596-K683 IonicContact OE1-NZ 3.44Å; E596-K683 PolarHBondContact OE1-NZ 2.98Å; E596-K683 IonicContact OE2-NZ 3.65Å; E596-K683 PolarHBondContact OE2-NZ 2.87Å; D681-K683 PolarHBondContact O-N 3.16Å; D681-K683 VanDerWaalsContact OD1-CB 3.32Å; D681-K683 WeakPolarHBondContact OD1-CB 3.46Å; D681-K683 PolarHBondContact OD1-N 2.92Å |
| 684 | V | 82.9 | Confident | 80.8 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 92.9 | -177 | -171 | 0 | 0 | 0 | 0 | 109.2 | T466 L467 L595 L616 Y626 D681 K682 I686 | T466-V684 WeakPolarHBondContact CA-O 3.46Å; L467-V684 HydrophobicContact CB-CB 3.82Å; L467-V684 HydrophobicContact CB-CG1 3.97Å; L467-V684 HydrophobicContact CB-CG2 4.48Å; L467-V684 HydrophobicContact CD2-CG2 4.44Å; L467-V684 PolarHBondContact N-O 3.4Å; L595-V684 HydrophobicContact CD2-CG2 4.49Å; L616-V684 HydrophobicContact CD2-CG1 3.78Å; Y626-V684 WeakPolarHBondContact OH-CG2 3.47Å; D681-V684 HydrophobicContact CB-CG2 4.36Å; D681-V684 PolarHBondContact O-N 3.43Å; D681-V684 VanDerWaalsContact O-N 3.1Å; K682-V684 VanDerWaalsContact C-N 3.3Å; V684-I686 HydrophobicContact CG1-CG1 4.39Å |
| 685 | I | 83.5 | Confident | 80.7 | Confident | 98 Ų | 98 | 46.7 Ų | 46.7 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 129.1 | 177.1 | -56.1 | 172.2 | 0 | 0 | 0 | 109.3 | E464 P687 | E464-I685 HydrophobicContact CB-CG2 4.12Å; E464-I685 HydrophobicContact CG-CG2 4.4Å; I685-P687 WeakPolarHBondContact O-CD 3.46Å |
| 686 | I | 84.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 91.4 | -176.6 | -56.3 | -173.9 | 0 | 0 | 0 | 108 | T447 D465 L467 L616 V684 | T447-I686 HydrophobicContact CG2-CG2 3.29Å; D465-I686 HydrophobicContact CB-CB 4.42Å; D465-I686 PolarHBondContact N-O 2.76Å; D465-I686 PolarHBondContact O-N 2.81Å; L467-I686 HydrophobicContact CB-CD1 4.2Å; L467-I686 HydrophobicContact CD1-CD1 4.45Å; L616-I686 HydrophobicContact CD2-CD1 4.27Å; L616-I686 HydrophobicContact CD2-CG1 3.95Å; V684-I686 HydrophobicContact CG1-CG1 4.39Å |
| 687 | P | 85.3 | Confident | 79.7 | Confident | 36 Ų | 36 | 53 Ų | 53 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 136.6 | 179.4 | 27.3 | -32.4 | 0 | 0 | 0 | 111.3 | I448 P461 I685 | I448-P687 HydrophobicContact CB-CG 4.16Å; I448-P687 HydrophobicContact CD1-CB 4.24Å; I448-P687 PolarHBondContact N-O 3.14Å; P461-P687 HydrophobicContact CB-CB 4.08Å; I685-P687 WeakPolarHBondContact O-CD 3.46Å |
| 688 | I | 85.3 | Confident | 79.1 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126 | -178.3 | -56.6 | 176.9 | 0 | 0 | 0 | 109.3 | Y388 P445 P461 F462 M463 D465 | Y388-I688 WeakPolarHBondContact OH-CD1 3.23Å; P445-I688 HydrophobicContact CB-CG2 4.31Å; P461-I688 VanDerWaalsContact CA-O 3.27Å; P461-I688 WeakPolarHBondContact CA-O 3.5Å; F462-I688 WeakPolarHBondContact CD1-O 3.29Å; F462-I688 HydrophobicContact CE1-CG2 3.81Å; F462-I688 HydrophobicContact CZ-CG2 3.74Å; F462-I688 PolarHBondContact N-O 2.98Å; M463-I688 HydrophobicContact CE-CD1 4.03Å; M463-I688 HydrophobicContact CG-CB 3.65Å; M463-I688 HydrophobicContact CG-CD1 4.09Å; M463-I688 HydrophobicContact CG-CG1 4.26Å; M463-I688 HydrophobicContact CG-CG2 4.2Å; M463-I688 PolarHBondContact O-N 3.45Å; M463-I688 HydrophobicContact SD-CB 4.34Å; M463-I688 HydrophobicContact SD-CD1 4.03Å; M463-I688 HydrophobicContact SD-CG2 4.38Å; D465-I688 HydrophobicContact CB-CD1 4.02Å |
| 689 | G | 85.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 161.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P445 L446 A691 | P445-G689 CarbonylContact C-O 3.58Å; P445-G689 WeakPolarHBondContact CA-O 3.31Å; L446-G689 PolarHBondContact N-O 3.32Å; L446-G689 PolarHBondContact O-N 3.32Å; L446-G689 VanDerWaalsContact O-O 3.11Å; G689-A691 PolarHBondContact O-N 2.84Å |
| 690 | F | 83 | Confident | 77.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 108.8 | 171.8 | -90 | -93.4 | 0 | 0 | 0 | 109.7 | A407 I410 F414 A444 P445 V459 F462 V692 M706 | A407-F690 HydrophobicContact CB-CZ 4.28Å; I410-F690 HydrophobicContact CB-CE2 3.82Å; I410-F690 HydrophobicContact CB-CZ 3.86Å; I410-F690 HydrophobicContact CD1-CE2 3.86Å; I410-F690 HydrophobicContact CD1-CZ 4.43Å; I410-F690 HydrophobicContact CG1-CE2 4.44Å; I410-F690 HydrophobicContact CG2-CD2 4.1Å; I410-F690 HydrophobicContact CG2-CE2 3.37Å; I410-F690 HydrophobicContact CG2-CZ 3.76Å; F414-F690 HydrophobicContact CE2-CD2 4.44Å; F414-F690 HydrophobicContact CE2-CG 4.5Å; A444-F690 CarbonylContact O-C 3.39Å; P445-F690 HydrophobicContact CB-CZ 4.48Å; P445-F690 HydrophobicContact CG-CE1 4.22Å; P445-F690 HydrophobicContact CG-CZ 4.2Å; V459-F690 HydrophobicContact CB-CB 4.05Å; V459-F690 WeakPolarHBondContact CB-O 3.46Å; V459-F690 PolarHBondContact N-O 2.85Å; V459-F690 PolarHBondContact O-N 3.17Å; F462-F690 AromaticContact CD1-CD2 3.67Å; F462-F690 HydrophobicContact CD1-CD2 3.67Å; F462-F690 AromaticContact CD1-CE2 3.95Å; F462-F690 HydrophobicContact CD1-CE2 3.95Å; F462-F690 AromaticContact CE1-CD2 3.57Å; F462-F690 HydrophobicContact CE1-CD2 3.57Å; F462-F690 AromaticContact CE1-CE2 3.64Å; F462-F690 HydrophobicContact CE1-CE2 3.64Å; F462-F690 HydrophobicContact CZ-CD2 4.45Å; F462-F690 HydrophobicContact CZ-CE2 4.09Å; F690-V692 PolarHBondContact O-N 2.77Å; F690-M706 HydrophobicContact CD2-CE 3.61Å; F690-M706 HydrophobicContact CE2-CE 4.17Å; F690-M706 HydrophobicContact CG-CE 4.47Å |
| 691 | A | 78.7 | Confident | 77.2 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 114.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | A443 A444 L446 L456 F458 G689 | A443-A691 CarbonylContact C-O 3.53Å; A443-A691 WeakPolarHBondContact CA-O 3.33Å; A444-A691 PolarHBondContact N-O 3.35Å; A444-A691 PolarHBondContact O-N 3.02Å; L446-A691 HydrophobicContact CB-CB 4.13Å; L446-A691 HydrophobicContact CD1-CB 3.74Å; L446-A691 HydrophobicContact CG-CB 4.17Å; L456-A691 HydrophobicContact CB-CB 4.33Å; L456-A691 HydrophobicContact CD1-CB 3.97Å; F458-A691 HydrophobicContact CD1-CB 3.93Å; F458-A691 HydrophobicContact CE1-CB 3.63Å; F458-A691 HydrophobicContact CZ-CB 4.19Å; G689-A691 PolarHBondContact O-N 2.84Å |
| 692 | V | 76.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 157.8 | 172.9 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | A443 L456 F457 V459 F690 E696 Y698 A699 M702 | A443-V692 HydrophobicContact CB-CG2 4.42Å; L456-V692 CarbonylContact C-O 3.56Å; L456-V692 WeakPolarHBondContact CA-O 3.14Å; F457-V692 PolarHBondContact N-O 3.24Å; F457-V692 PolarHBondContact O-N 2.99Å; V459-V692 HydrophobicContact CG2-CG2 3.78Å; F690-V692 PolarHBondContact O-N 2.77Å; V692-E696 HydrophobicContact CG1-CB 4.09Å; V692-E696 HydrophobicContact CG1-CG 4.19Å; V692-Y698 HydrophobicContact CG1-CD2 4.31Å; V692-Y698 HydrophobicContact CG1-CE2 3.36Å; V692-A699 HydrophobicContact CB-CB 4.31Å; V692-A699 HydrophobicContact CG1-CB 3.92Å; V692-M702 HydrophobicContact CG2-CE 4.25Å; V692-M702 HydrophobicContact CG2-SD 4.12Å |
| 693 | R | 72.6 | Confident | 77 | Confident | 116 Ų | 116 | 50.4 Ų | 50.4 | 44% | 0.438 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 141.8 | 174 | -174.8 | -178.5 | 179.7 | 179.4 | -0.4 | 110.7 | E696 | R693-E696 HydrophobicContact CB-CG 3.71Å; R693-E696 WeakPolarHBondContact CD-OE1 3.12Å; R693-E696 HydrophobicContact CG-CG 4.35Å; R693-E696 WeakPolarHBondContact O-CG 3.37Å |
| 694 | L | 69.2 | Low | 76.8 | Confident | 64 Ų | 64 | 45.9 Ų | 45.9 | 34% | 0.335 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 146.5 | 173.3 | -157.1 | 75.2 | 0 | 0 | 0 | 110.5 | F457 E696 | F457-L694 HydrophobicContact CB-CD1 4.29Å; L694-E696 VanDerWaalsContact C-N 3.27Å; L694-E696 PolarHBondContact O-N 2.87Å |
| 695 | D | 67.6 | Low | 76.5 | Confident | 152 Ų | 152 | 46.2 Ų | 46.2 | 81% | 0.813 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 9 | 179.9 | -49 | -39.7 | 0 | 0 | 0 | 116.6 | E697 | D695-E697 PolarHBondContact O-N 2.93Š|
| 696 | E | 70.8 | Confident | 76.5 | Confident | 54 Ų | 54 | 41.8 Ų | 41.8 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | trans | -73.8 | 125 | 173 | -66.9 | -69.8 | 174 | 0 | 0 | 111.3 | V692 R693 L694 Y698 A699 | V692-E696 HydrophobicContact CG1-CB 4.09Å; V692-E696 HydrophobicContact CG1-CG 4.19Å; R693-E696 HydrophobicContact CB-CG 3.71Å; R693-E696 WeakPolarHBondContact CD-OE1 3.12Å; R693-E696 HydrophobicContact CG-CG 4.35Å; R693-E696 WeakPolarHBondContact O-CG 3.37Å; L694-E696 VanDerWaalsContact C-N 3.27Å; L694-E696 PolarHBondContact O-N 2.87Å; E696-Y698 HydrophobicContact CB-CD1 4.06Å; E696-Y698 HydrophobicContact CB-CE1 3.59Å; E696-Y698 HydrophobicContact CB-CE2 4.22Å; E696-Y698 HydrophobicContact CG-CE1 3.88Å; E696-Y698 PolarHBondContact O-N 2.85Å; E696-Y698 VanDerWaalsContact O-N 3.13Å; E696-Y698 WeakPolarHBondContact OE2-CE1 3.46Å; E696-A699 HydrophobicContact CB-CB 4.28Å; E696-A699 VanDerWaalsContact O-CB 3.3Å; E696-A699 WeakPolarHBondContact O-CB 3.5Å; E696-A699 PolarHBondContact O-N 2.84Å | ||
| 697 | E | 67.7 | Low | 76.3 | Confident | 158 Ų | 158 | 43.6 Ų | 43.6 | 74% | 0.738 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.8 | -175.4 | -65 | 177.3 | -179.2 | 0 | 0 | 113.5 | D695 | D695-E697 PolarHBondContact O-N 2.93Š|
| 698 | Y | 70.7 | Confident | 75.9 | Confident | 37 Ų | 37 | 43.5 Ų | 43.5 | 15% | 0.145 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.4 | 179.2 | 61.7 | -97 | 0 | 0 | 0 | 113.3 | F378 V692 E696 L701 M702 | F378-Y698 HydrophobicContact CE1-CD2 4.31Å; F378-Y698 HydrophobicContact CE1-CE1 4.02Å; F378-Y698 AromaticContact CE1-CE2 3.66Å; F378-Y698 HydrophobicContact CE1-CE2 3.66Å; F378-Y698 AromaticContact CE1-CZ 3.53Å; F378-Y698 HydrophobicContact CZ-CE1 4.41Å; F378-Y698 HydrophobicContact CZ-CE2 4.28Å; V692-Y698 HydrophobicContact CG1-CD2 4.31Å; V692-Y698 HydrophobicContact CG1-CE2 3.36Å; E696-Y698 HydrophobicContact CB-CD1 4.06Å; E696-Y698 HydrophobicContact CB-CE1 3.59Å; E696-Y698 HydrophobicContact CB-CE2 4.22Å; E696-Y698 HydrophobicContact CG-CE1 3.88Å; E696-Y698 PolarHBondContact O-N 2.85Å; E696-Y698 VanDerWaalsContact O-N 3.13Å; E696-Y698 WeakPolarHBondContact OE2-CE1 3.46Å; Y698-L701 WeakPolarHBondContact O-CB 3.35Å; Y698-L701 PolarHBondContact O-N 3.32Å; Y698-M702 HydrophobicContact CD2-CG 4.13Å; Y698-M702 HydrophobicContact CD2-SD 3.47Å; Y698-M702 WeakPolarHBondContact CD2-SD 3.07Å; Y698-M702 HydrophobicContact CE2-SD 3.72Å; Y698-M702 WeakPolarHBondContact O-CG 3.19Å; Y698-M702 PolarHBondContact O-N 3.47Å |
| 699 | A | 73.3 | Confident | 75.6 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.9 | -44 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F457 V692 E696 L701 M702 L703 | F457-A699 HydrophobicContact CB-CB 4.38Å; F457-A699 HydrophobicContact CD1-CB 3.52Å; F457-A699 HydrophobicContact CE1-CB 3.92Å; F457-A699 HydrophobicContact CG-CB 4.01Å; V692-A699 HydrophobicContact CB-CB 4.31Å; V692-A699 HydrophobicContact CG1-CB 3.92Å; E696-A699 HydrophobicContact CB-CB 4.28Å; E696-A699 VanDerWaalsContact O-CB 3.3Å; E696-A699 WeakPolarHBondContact O-CB 3.5Å; E696-A699 PolarHBondContact O-N 2.84Å; A699-L701 PolarHBondContact O-N 3.04Å; A699-M702 PolarHBondContact O-N 3.31Å; A699-L703 PolarHBondContact O-N 2.95Å |
| 700 | P | 72.4 | Confident | 75.4 | Confident | 79 Ų | 79 | 49.4 Ų | 49.4 | 51% | 0.513 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.5 | -33.5 | 172.9 | -21.7 | 34 | 0 | 0 | 0 | 112.6 | L703 S704 | P700-L703 PolarHBondContact O-N 3.29Å; P700-S704 PolarHBondContact O-N 3.28Å |
| 701 | L | 70.4 | Confident | 75 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.3 | -45 | 176.8 | -175.3 | 65.5 | 0 | 0 | 0 | 111 | F80 L418 Y698 A699 L703 S704 F705 | F80-L701 HydrophobicContact CE1-CD1 4.42Å; L418-L701 HydrophobicContact CD2-CD2 3.37Å; L418-L701 HydrophobicContact CD2-CG 3.83Å; Y698-L701 WeakPolarHBondContact O-CB 3.35Å; Y698-L701 PolarHBondContact O-N 3.32Å; A699-L701 PolarHBondContact O-N 3.04Å; L701-L703 VanDerWaalsContact C-N 3.27Å; L701-L703 PolarHBondContact O-N 3.25Å; L701-S704 PolarHBondContact O-N 3.11Å; L701-S704 PolarHBondContact O-OG 2.95Å; L701-F705 HydrophobicContact CD1-CD2 4.11Å; L701-F705 HydrophobicContact CD1-CE2 3.57Å; L701-F705 HydrophobicContact CD1-CZ 4.39Å; L701-F705 HydrophobicContact CD2-CE2 4.12Å; L701-F705 HydrophobicContact CG-CD2 3.88Å; L701-F705 HydrophobicContact CG-CE2 3.56Å; L701-F705 WeakPolarHBondContact O-CD2 3.37Å; L701-F705 PolarHBondContact O-N 3.36Å |
| 702 | M | 77.4 | Confident | 74.9 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60 | -38.1 | 172.5 | -74.8 | -177.5 | 69.3 | 0 | 0 | 112 | F414 L418 V459 V692 Y698 A699 F705 M706 | F414-M702 HydrophobicContact CD1-CE 4.39Å; F414-M702 HydrophobicContact CD2-CE 3.82Å; F414-M702 HydrophobicContact CE1-CB 4.43Å; F414-M702 HydrophobicContact CE2-CE 3.93Å; F414-M702 HydrophobicContact CG-CE 4.06Å; F414-M702 HydrophobicContact CZ-CE 4.28Å; L418-M702 HydrophobicContact CD1-CG 3.63Å; V459-M702 HydrophobicContact CB-CB 4.47Å; V459-M702 HydrophobicContact CG1-CB 3.94Å; V459-M702 WeakPolarHBondContact CG1-O 3.48Å; V459-M702 HydrophobicContact CG2-CB 3.68Å; V692-M702 HydrophobicContact CG2-CE 4.25Å; V692-M702 HydrophobicContact CG2-SD 4.12Å; Y698-M702 HydrophobicContact CD2-CG 4.13Å; Y698-M702 HydrophobicContact CD2-SD 3.47Å; Y698-M702 WeakPolarHBondContact CD2-SD 3.07Å; Y698-M702 HydrophobicContact CE2-SD 3.72Å; Y698-M702 WeakPolarHBondContact O-CG 3.19Å; Y698-M702 PolarHBondContact O-N 3.47Å; A699-M702 PolarHBondContact O-N 3.31Å; M702-F705 PolarHBondContact O-N 3.04Å; M702-M706 WeakPolarHBondContact O-CB 3.1Å; M702-M706 PolarHBondContact O-N 3.35Å |
| 703 | L | 80.7 | Confident | 75.1 | Confident | 60 Ų | 60 | 64.2 Ų | 64.2 | 31% | 0.314 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 175.4 | -179.1 | 65.2 | 0 | 0 | 0 | 112.1 | F457 A699 P700 L701 F705 M706 S707 | F457-L703 HydrophobicContact CE1-CB 4.13Å; F457-L703 HydrophobicContact CE1-CD2 4.31Å; F457-L703 HydrophobicContact CZ-CB 4.39Å; F457-L703 HydrophobicContact CZ-CD2 3.86Å; A699-L703 PolarHBondContact O-N 2.95Å; P700-L703 PolarHBondContact O-N 3.29Å; L701-L703 VanDerWaalsContact C-N 3.27Å; L701-L703 PolarHBondContact O-N 3.25Å; L703-F705 VanDerWaalsContact C-N 3.28Å; L703-F705 PolarHBondContact O-N 3.27Å; L703-M706 PolarHBondContact O-N 2.91Å; L703-S707 PolarHBondContact O-N 3.42Å; L703-S707 VanDerWaalsContact O-N 3.08Å; L703-S707 PolarHBondContact O-OG 2.92Å |
| 704 | S | 74.7 | Confident | 75.7 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 177.6 | 70.9 | 0 | 0 | 0 | 0 | 111.7 | P700 L701 S707 I708 | P700-S704 PolarHBondContact O-N 3.28Å; L701-S704 PolarHBondContact O-N 3.11Å; L701-S704 PolarHBondContact O-OG 2.95Å; S704-S707 WeakPolarHBondContact O-CB 3.36Å; S704-S707 PolarHBondContact O-N 3.01Å; S704-I708 WeakPolarHBondContact O-CG1 3.16Å; S704-I708 PolarHBondContact O-N 3.36Å; S704-I708 VanDerWaalsContact O-N 3.08Å |
| 705 | F | 76.2 | Confident | 76.6 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 174.7 | -79.3 | -59.1 | 0 | 0 | 0 | 113.7 | F80 F414 L418 L701 M702 L703 S707 I708 L709 | F80-F705 HydrophobicContact CE1-CZ 4.15Å; F80-F705 HydrophobicContact CE2-CE1 4.26Å; F80-F705 AromaticContact CE2-CZ 3.81Å; F80-F705 HydrophobicContact CE2-CZ 3.81Å; F80-F705 AromaticContact CZ-CE1 3.9Å; F80-F705 HydrophobicContact CZ-CE1 3.9Å; F80-F705 HydrophobicContact CZ-CE2 4.19Å; F80-F705 AromaticContact CZ-CZ 3.27Å; F80-F705 HydrophobicContact CZ-CZ 3.27Å; F414-F705 HydrophobicContact CD1-CB 4.42Å; F414-F705 HydrophobicContact CE1-CB 4.09Å; L418-F705 HydrophobicContact CD1-CD2 4.24Å; L418-F705 HydrophobicContact CD2-CD2 3.74Å; L418-F705 HydrophobicContact CD2-CE2 3.28Å; L418-F705 HydrophobicContact CD2-CZ 4.22Å; L418-F705 HydrophobicContact CG-CD2 4.01Å; L418-F705 HydrophobicContact CG-CE2 3.89Å; L701-F705 HydrophobicContact CD1-CD2 4.11Å; L701-F705 HydrophobicContact CD1-CE2 3.57Å; L701-F705 HydrophobicContact CD1-CZ 4.39Å; L701-F705 HydrophobicContact CD2-CE2 4.12Å; L701-F705 HydrophobicContact CG-CD2 3.88Å; L701-F705 HydrophobicContact CG-CE2 3.56Å; L701-F705 WeakPolarHBondContact O-CD2 3.37Å; L701-F705 PolarHBondContact O-N 3.36Å; M702-F705 PolarHBondContact O-N 3.04Å; L703-F705 VanDerWaalsContact C-N 3.28Å; L703-F705 PolarHBondContact O-N 3.27Å; F705-S707 VanDerWaalsContact C-N 3.29Å; F705-S707 PolarHBondContact O-N 2.76Å; F705-I708 HydrophobicContact CD1-CD1 4.3Å; F705-I708 PolarHBondContact O-N 2.8Å; F705-L709 WeakPolarHBondContact O-CG 3.23Å; F705-L709 PolarHBondContact O-N 2.9Å |
| 706 | M | 83.1 | Confident | 77.5 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60 | -43 | 174.8 | -173.5 | 60.2 | 91.3 | 0 | 0 | 110.7 | I410 F414 V459 F462 F690 M702 L703 I708 L709 R710 I715 | I410-M706 HydrophobicContact CG2-CE 3.82Å; F414-M706 HydrophobicContact CE1-CB 4.44Å; F414-M706 HydrophobicContact CE2-CE 3.64Å; F414-M706 HydrophobicContact CZ-CB 4.1Å; F414-M706 HydrophobicContact CZ-CE 3.41Å; F414-M706 VanDerWaalsContact CZ-CE 3.41Å; F414-M706 HydrophobicContact CZ-SD 4.07Å; V459-M706 HydrophobicContact CG1-CB 3.69Å; V459-M706 HydrophobicContact CG1-CE 4.26Å; V459-M706 HydrophobicContact CG1-CG 4.24Å; F462-M706 HydrophobicContact CB-CE 3.96Å; F462-M706 HydrophobicContact CB-SD 3.89Å; F462-M706 HydrophobicContact CD1-CE 4.21Å; F462-M706 HydrophobicContact CG-CE 4.36Å; F690-M706 HydrophobicContact CD2-CE 3.61Å; F690-M706 HydrophobicContact CE2-CE 4.17Å; F690-M706 HydrophobicContact CG-CE 4.47Å; M702-M706 WeakPolarHBondContact O-CB 3.1Å; M702-M706 PolarHBondContact O-N 3.35Å; L703-M706 PolarHBondContact O-N 2.91Å; M706-I708 VanDerWaalsContact C-N 3.35Å; M706-I708 PolarHBondContact O-N 2.88Å; M706-L709 PolarHBondContact O-N 2.77Å; M706-R710 PolarHBondContact O-N 3.35Å; M706-I715 HydrophobicContact SD-CD1 3.79Å; M706-I715 HydrophobicContact SD-CG1 4.28Å |
| 707 | S | 80.8 | Confident | 78.2 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 174.2 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | L703 S704 F705 L709 R710 E711 | L703-S707 PolarHBondContact O-N 3.42Å; L703-S707 VanDerWaalsContact O-N 3.08Å; L703-S707 PolarHBondContact O-OG 2.92Å; S704-S707 WeakPolarHBondContact O-CB 3.36Å; S704-S707 PolarHBondContact O-N 3.01Å; F705-S707 VanDerWaalsContact C-N 3.29Å; F705-S707 PolarHBondContact O-N 2.76Å; S707-L709 VanDerWaalsContact C-N 3.34Å; S707-L709 PolarHBondContact O-N 2.8Å; S707-R710 PolarHBondContact O-N 2.91Å; S707-E711 WeakPolarHBondContact O-CB 3.07Å; S707-E711 WeakPolarHBondContact O-CG 3.29Å; S707-E711 PolarHBondContact O-N 2.92Å |
| 708 | I | 77.8 | Confident | 79.2 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 17% | 0.174 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -38.7 | 176.1 | -65.7 | 165.7 | 0 | 0 | 0 | 111.7 | S704 F705 M706 R710 R712 | S704-I708 WeakPolarHBondContact O-CG1 3.16Å; S704-I708 PolarHBondContact O-N 3.36Å; S704-I708 VanDerWaalsContact O-N 3.08Å; F705-I708 HydrophobicContact CD1-CD1 4.3Å; F705-I708 PolarHBondContact O-N 2.8Å; M706-I708 VanDerWaalsContact C-N 3.35Å; M706-I708 PolarHBondContact O-N 2.88Å; I708-R710 VanDerWaalsContact C-N 3.34Å; I708-R712 HydrophobicContact CG2-CG 4.42Å; I708-R712 WeakPolarHBondContact O-CB 2.91Å; I708-R712 VanDerWaalsContact O-CG 3.31Å; I708-R712 WeakPolarHBondContact O-CG 3.37Å; I708-R712 PolarHBondContact O-N 2.82Å |
| 709 | L | 79.6 | Confident | 80 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 177.4 | -73.1 | 171.5 | 0 | 0 | 0 | 111.6 | E413 F414 R417 F705 M706 S707 G713 V714 I715 | E413-L709 HydrophobicContact CB-CD1 4.24Å; E413-L709 HydrophobicContact CB-CD2 4.36Å; F414-L709 HydrophobicContact CE1-CD1 4.23Å; R417-L709 VanDerWaalsContact CZ-CD2 3.45Å; F705-L709 WeakPolarHBondContact O-CG 3.23Å; F705-L709 PolarHBondContact O-N 2.9Å; M706-L709 PolarHBondContact O-N 2.77Å; S707-L709 VanDerWaalsContact C-N 3.34Å; S707-L709 PolarHBondContact O-N 2.8Å; L709-G713 PolarHBondContact O-N 2.84Å; L709-V714 HydrophobicContact CB-CB 4.48Å; L709-V714 HydrophobicContact CD2-CB 3.98Å; L709-V714 HydrophobicContact CD2-CG1 3.93Å; L709-V714 HydrophobicContact CD2-CG2 4.2Å; L709-V714 WeakPolarHBondContact O-CB 3.28Å; L709-V714 PolarHBondContact O-N 3.1Å; L709-I715 HydrophobicContact CB-CD1 4.05Å; L709-I715 HydrophobicContact CB-CG1 3.94Å; L709-I715 PolarHBondContact O-N 3.3Å |
| 710 | R | 80.2 | Confident | 80.6 | Confident | 126 Ų | 126 | 57.8 Ų | 57.8 | 48% | 0.475 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.4 | -47.3 | 175.8 | -168.9 | 177.4 | 66.4 | -177.3 | 4.1 | 111.5 | M706 S707 I708 R712 G713 I715 | M706-R710 PolarHBondContact O-N 3.35Å; S707-R710 PolarHBondContact O-N 2.91Å; I708-R710 VanDerWaalsContact C-N 3.34Å; R710-R712 VanDerWaalsContact C-N 3.26Å; R710-R712 PolarHBondContact O-N 2.78Å; R710-G713 PolarHBondContact O-N 3.26Å; R710-I715 HydrophobicContact CB-CG1 4.35Å |
| 711 | E | 75.9 | Confident | 81.4 | Confident | 123 Ų | 123 | 59.7 Ų | 59.7 | 58% | 0.575 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.2 | -31.3 | 179.3 | -73.9 | 176.6 | 167.5 | 0 | 0 | 113.2 | S707 G713 | S707-E711 WeakPolarHBondContact O-CB 3.07Å; S707-E711 WeakPolarHBondContact O-CG 3.29Å; S707-E711 PolarHBondContact O-N 2.92Å; E711-G713 VanDerWaalsContact C-N 3.27Å; E711-G713 PolarHBondContact O-N 2.89Å |
| 712 | R | 75.8 | Confident | 82.1 | Confident | 167 Ų | 167 | 59.4 Ų | 59.4 | 63% | 0.63 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.7 | 174.3 | -70.9 | -177.2 | -178.8 | -172.9 | 1.1 | 113.9 | I708 R710 V714 | I708-R712 HydrophobicContact CG2-CG 4.42Å; I708-R712 WeakPolarHBondContact O-CB 2.91Å; I708-R712 VanDerWaalsContact O-CG 3.31Å; I708-R712 WeakPolarHBondContact O-CG 3.37Å; I708-R712 PolarHBondContact O-N 2.82Å; R710-R712 VanDerWaalsContact C-N 3.26Å; R710-R712 PolarHBondContact O-N 2.78Å; R712-V714 HydrophobicContact CB-CG2 4.01Å; R712-V714 PolarHBondContact O-N 3.34Å |
| 713 | G | 81.5 | Confident | 82.4 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 26% | 0.258 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 14.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | L709 R710 E711 H717 | L709-G713 PolarHBondContact O-N 2.84Å; R710-G713 PolarHBondContact O-N 3.26Å; E711-G713 VanDerWaalsContact C-N 3.27Å; E711-G713 PolarHBondContact O-N 2.89Å; G713-H717 PolarHBondContact O-N 3.25Å; G713-H717 VanDerWaalsContact O-N 3.1Å |
| 714 | V | 83.9 | Confident | 82.3 | Confident | 35 Ų | 35 | 60.2 Ų | 60.2 | 21% | 0.212 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 178.2 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | L709 R712 H717 L718 | L709-V714 HydrophobicContact CB-CB 4.48Å; L709-V714 HydrophobicContact CD2-CB 3.98Å; L709-V714 HydrophobicContact CD2-CG1 3.93Å; L709-V714 HydrophobicContact CD2-CG2 4.2Å; L709-V714 WeakPolarHBondContact O-CB 3.28Å; L709-V714 PolarHBondContact O-N 3.1Å; R712-V714 HydrophobicContact CB-CG2 4.01Å; R712-V714 PolarHBondContact O-N 3.34Å; V714-H717 PolarHBondContact O-N 3.41Å; V714-L718 HydrophobicContact CG1-CD1 4.41Å; V714-L718 WeakPolarHBondContact O-CG 3.47Å; V714-L718 PolarHBondContact O-N 2.91Å |
| 715 | I | 88.1 | Confident | 82.1 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 176.3 | -62.1 | -59.2 | 0 | 0 | 0 | 110.5 | I410 F462 M706 L709 R710 H717 L718 L719 | I410-I715 HydrophobicContact CD1-CD1 4.42Å; I410-I715 HydrophobicContact CG1-CD1 4.26Å; F462-I715 HydrophobicContact CB-CG2 4.21Å; F462-I715 VanDerWaalsContact O-CG2 3.26Å; F462-I715 WeakPolarHBondContact O-CG2 3.25Å; M706-I715 HydrophobicContact SD-CD1 3.79Å; M706-I715 HydrophobicContact SD-CG1 4.28Å; L709-I715 HydrophobicContact CB-CD1 4.05Å; L709-I715 HydrophobicContact CB-CG1 3.94Å; L709-I715 PolarHBondContact O-N 3.3Å; R710-I715 HydrophobicContact CB-CG1 4.35Å; I715-H717 VanDerWaalsContact C-N 3.3Å; I715-H717 PolarHBondContact O-N 2.9Å; I715-L718 WeakPolarHBondContact O-CB 3.32Å; I715-L718 PolarHBondContact O-N 3.29Å; I715-L719 HydrophobicContact CG2-CD1 4.07Å; I715-L719 HydrophobicContact CG2-CG 4.27Å; I715-L719 WeakPolarHBondContact O-CG 3.44Å; I715-L719 PolarHBondContact O-N 3.46Å |
| 716 | D | 85.9 | Confident | 81.6 | Confident | 95 Ų | 95 | 66.1 Ų | 66.1 | 51% | 0.508 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 178.7 | -57.2 | -32.1 | 0 | 0 | 0 | 111.5 | L718 L719 E720 | D716-L718 VanDerWaalsContact C-N 3.33Å; D716-L718 PolarHBondContact O-N 2.93Å; D716-L719 PolarHBondContact O-N 3.19Å; D716-E720 PolarHBondContact O-N 3.05Å |
| 717 | H | 86.9 | Confident | 80.1 | Confident | 114 Ų | 114 | 72.3 Ų | 72.3 | 53% | 0.528 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 174.4 | -179.6 | 63.4 | 0 | 0 | 0 | 112.9 | G713 V714 I715 K721 | G713-H717 PolarHBondContact O-N 3.25Å; G713-H717 VanDerWaalsContact O-N 3.1Å; V714-H717 PolarHBondContact O-N 3.41Å; I715-H717 VanDerWaalsContact C-N 3.3Å; I715-H717 PolarHBondContact O-N 2.9Å; H717-K721 VanDerWaalsContact O-CB 3.32Å; H717-K721 WeakPolarHBondContact O-CB 3.36Å; H717-K721 PolarHBondContact O-N 3.32Å |
| 718 | L | 88.2 | Confident | 78.6 | Confident | 15 Ų | 15 | 77.2 Ų | 77.2 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.5 | -39 | 176.3 | -70.3 | 177.3 | 0 | 0 | 0 | 112 | L406 D409 I410 V714 I715 D716 E720 K721 W722 | L406-L718 HydrophobicContact CD1-CB 3.93Å; D409-L718 HydrophobicContact CB-CD1 4.28Å; D409-L718 HydrophobicContact CB-CD2 3.81Å; I410-L718 HydrophobicContact CG1-CD1 3.74Å; V714-L718 HydrophobicContact CG1-CD1 4.41Å; V714-L718 WeakPolarHBondContact O-CG 3.47Å; V714-L718 PolarHBondContact O-N 2.91Å; I715-L718 WeakPolarHBondContact O-CB 3.32Å; I715-L718 PolarHBondContact O-N 3.29Å; D716-L718 VanDerWaalsContact C-N 3.33Å; D716-L718 PolarHBondContact O-N 2.93Å; L718-E720 VanDerWaalsContact C-N 3.32Å; L718-E720 PolarHBondContact O-N 2.85Å; L718-K721 HydrophobicContact CD2-CD 4.31Å; L718-K721 PolarHBondContact O-N 2.88Å; L718-W722 VanDerWaalsContact O-CD1 3.28Å; L718-W722 PolarHBondContact O-N 3.12Å; L718-W722 VanDerWaalsContact O-N 3.14Å |
| 719 | L | 87.4 | Confident | 76.9 | Confident | 34 Ų | 34 | 84.9 Ų | 84.9 | 18% | 0.178 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 174.9 | -66.5 | 174.9 | 0 | 0 | 0 | 111.2 | L406 M463 I715 D716 N723 V724 | L406-L719 HydrophobicContact CD1-CD2 4.23Å; L406-L719 HydrophobicContact CD2-CD2 3.85Å; M463-L719 HydrophobicContact CB-CD2 4.22Å; M463-L719 HydrophobicContact SD-CD2 4.48Å; I715-L719 HydrophobicContact CG2-CD1 4.07Å; I715-L719 HydrophobicContact CG2-CG 4.27Å; I715-L719 WeakPolarHBondContact O-CG 3.44Å; I715-L719 PolarHBondContact O-N 3.46Å; D716-L719 PolarHBondContact O-N 3.19Å; L719-N723 PolarHBondContact O-N 2.85Å; L719-V724 HydrophobicContact CB-CG2 4.41Å; L719-V724 HydrophobicContact CD2-CB 4.37Å; L719-V724 HydrophobicContact CD2-CG1 4.36Å; L719-V724 HydrophobicContact CD2-CG2 3.92Å; L719-V724 WeakPolarHBondContact O-CG2 2.97Å; L719-V724 PolarHBondContact O-N 2.92Å; L719-V724 VanDerWaalsContact O-N 3.14Å |
| 720 | E | 86.2 | Confident | 75 | Confident | 152 Ų | 152 | 90 Ų | 90 | 71% | 0.71 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.7 | -45.8 | 174.9 | -172.7 | -177.8 | -176.7 | 0 | 0 | 111.9 | D716 L718 W722 N723 | D716-E720 PolarHBondContact O-N 3.05Å; L718-E720 VanDerWaalsContact C-N 3.32Å; L718-E720 PolarHBondContact O-N 2.85Å; E720-W722 PolarHBondContact O-N 3.48Å; E720-N723 PolarHBondContact O-N 3.14Å |
| 721 | K | 87.8 | Confident | 72.8 | Confident | 120 Ų | 120 | 87.8 Ų | 87.8 | 52% | 0.522 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -53.8 | -41.4 | 178.3 | 178.2 | -172.1 | 174.4 | -167.6 | 0 | 112.3 | D409 H717 L718 N723 | D409-K721 IonicContact OD1-NZ 3.56Å; D409-K721 IonicContact OD2-NZ 2.96Å; D409-K721 PolarHBondContact OD2-NZ 3.05Å; H717-K721 VanDerWaalsContact O-CB 3.32Å; H717-K721 WeakPolarHBondContact O-CB 3.36Å; H717-K721 PolarHBondContact O-N 3.32Å; L718-K721 HydrophobicContact CD2-CD 4.31Å; L718-K721 PolarHBondContact O-N 2.88Å; K721-N723 VanDerWaalsContact C-N 3.31Å |
| 722 | W | 86.6 | Confident | 71 | Confident | 47 Ų | 47 | 89.9 Ų | 89.9 | 18% | 0.178 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 4.7 | -179.9 | -72.1 | 100.7 | 0 | 0 | 0 | 113.7 | V390 E404 G405 L406 D409 L718 E720 V724 | V390-W722 HydrophobicContact CB-CZ3 3.98Å; V390-W722 HydrophobicContact CG2-CE3 3.92Å; V390-W722 HydrophobicContact CG2-CZ3 3.58Å; E404-W722 HydrophobicContact CB-CH2 4Å; G405-W722 VanDerWaalsContact C-CZ2 3.4Å; G405-W722 VanDerWaalsContact N-CH2 3.33Å; G405-W722 VanDerWaalsContact N-CZ2 3.29Å; L406-W722 HydrophobicContact CB-CB 4.37Å; L406-W722 HydrophobicContact CB-CG 3.99Å; L406-W722 HydrophobicContact CD1-CG 4.47Å; D409-W722 PolarHBondContact OD2-NE1 2.79Å; L718-W722 VanDerWaalsContact O-CD1 3.28Å; L718-W722 PolarHBondContact O-N 3.12Å; L718-W722 VanDerWaalsContact O-N 3.14Å; E720-W722 PolarHBondContact O-N 3.48Å; W722-V724 HydrophobicContact CB-CG2 4.1Å; W722-V724 PolarHBondContact O-N 2.93Å |
| 723 | N | 82.3 | Confident | 69.2 | Low | 73 Ų | 73 | 86.1 Ų | 86.1 | 39% | 0.39 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 45.5 | -179.4 | -165.2 | 23.4 | 0 | 0 | 0 | 112.3 | H667 L719 E720 K721 E725 K726 | H667-N723 PolarHBondContact NE2-O 2.79Å; L719-N723 PolarHBondContact O-N 2.85Å; E720-N723 PolarHBondContact O-N 3.14Å; K721-N723 VanDerWaalsContact C-N 3.31Å; N723-E725 VanDerWaalsContact C-N 3.26Å; N723-E725 CarbonylContact O-C 3.02Å; N723-E725 PolarHBondContact O-N 2.78Å; N723-E725 PolarHBondContact OD1-O 3.21Å; N723-K726 PolarHBondContact O-N 2.89Å; N723-K726 VanDerWaalsContact O-N 3.14Å |
| 724 | V | 79.4 | Confident | 67.5 | Low | 7 Ų | 7 | 89.5 Ų | 89.5 | 4% | 0.042 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -59.3 | -39.8 | -173.9 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | P387 L406 M463 I663 H667 L719 W722 K726 | P387-V724 HydrophobicContact CG-CG2 4.15Å; L406-V724 HydrophobicContact CD2-CG2 3.9Å; M463-V724 HydrophobicContact CE-CG1 3.93Å; I663-V724 HydrophobicContact CD1-CG1 3.58Å; I663-V724 HydrophobicContact CG1-CG1 4.05Å; I663-V724 HydrophobicContact CG2-CG1 3.83Å; H667-V724 PolarHBondContact CE1-O 2.82Å; H667-V724 VanDerWaalsContact CE1-O 3.3Å; L719-V724 HydrophobicContact CB-CG2 4.41Å; L719-V724 HydrophobicContact CD2-CB 4.37Å; L719-V724 HydrophobicContact CD2-CG1 4.36Å; L719-V724 HydrophobicContact CD2-CG2 3.92Å; L719-V724 WeakPolarHBondContact O-CG2 2.97Å; L719-V724 PolarHBondContact O-N 2.92Å; L719-V724 VanDerWaalsContact O-N 3.14Å; W722-V724 HydrophobicContact CB-CG2 4.1Å; W722-V724 PolarHBondContact O-N 2.93Å; V724-K726 VanDerWaalsContact C-N 3.33Å; V724-K726 PolarHBondContact O-N 3.46Å |
| 725 | E | 70.3 | Confident | 65.7 | Low | 133 Ų | 133 | 92.1 Ų | 92.1 | 62% | 0.621 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -84.9 | 82.6 | 163.1 | -66.1 | -171.5 | 169.7 | 0 | 0 | 108.1 | N723 M727 | N723-E725 VanDerWaalsContact C-N 3.26Å; N723-E725 CarbonylContact O-C 3.02Å; N723-E725 PolarHBondContact O-N 2.78Å; N723-E725 PolarHBondContact OD1-O 3.21Å; E725-M727 PolarHBondContact O-N 3.49Å |
| 726 | K | 65.3 | Low | 63.9 | Low | 44 Ų | 44 | 100.1 Ų | 100.1 | 19% | 0.191 | 51% | 0.511 | C | S | . | . | trans | -56.8 | 90.9 | 167.3 | -84.5 | -167.5 | -179.2 | -172.8 | 0 | 108.2 | L666 L669 D671 N723 V724 K728 | L666-K726 HydrophobicContact CD2-CB 4.15Å; L666-K726 WeakPolarHBondContact O-CD 2.98Å; L666-K726 WeakPolarHBondContact O-CE 3.49Å; L666-K726 PolarHBondContact O-NZ 3.39Å; L669-K726 PolarHBondContact O-NZ 2.84Å; D671-K726 IonicContact OD1-NZ 2.66Å; D671-K726 PolarHBondContact OD1-NZ 3.34Å; N723-K726 PolarHBondContact O-N 2.89Å; N723-K726 VanDerWaalsContact O-N 3.14Å; V724-K726 VanDerWaalsContact C-N 3.33Å; V724-K726 PolarHBondContact O-N 3.46Å; K726-K728 PolarHBondContact O-N 3.02Å; K726-K728 VanDerWaalsContact O-N 3.07Å | ||
| 727 | M | 53.2 | Low | 62.6 | Low | 133 Ų | 133 | 99.5 Ų | 99.5 | 66% | 0.655 | 51% | 0.508 | S | S | * | . | trans | -61.8 | 112.5 | 159.9 | -77.5 | -73.2 | -141.2 | 0 | 0 | 104.3 | E725 Y729 | E725-M727 PolarHBondContact O-N 3.49Å; M727-Y729 WeakPolarHBondContact O-CD2 3.1Å; M727-Y729 PolarHBondContact O-N 2.85Å | ||
| 728 | K | 49.2 | Very low | 61.5 | Low | 141 Ų | 141 | 100.4 Ų | 100.4 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | trans | -58.5 | 94.9 | 160.5 | -90.1 | -175 | 175.3 | -174.8 | 0 | 104.6 | K726 T730 | K726-K728 PolarHBondContact O-N 3.02Å; K726-K728 VanDerWaalsContact O-N 3.07Å; K728-T730 PolarHBondContact O-N 3.02Å | ||
| 729 | Y | 41.6 | Very low | 60.6 | Low | 195 Ų | 195 | 103.3 Ų | 103.3 | 77% | 0.765 | 53% | 0.534 | S | S | * | . | trans | -62.5 | 82.3 | 154.8 | -63.5 | -78.4 | 0 | 0 | 0 | 103.6 | M727 S731 | M727-Y729 WeakPolarHBondContact O-CD2 3.1Å; M727-Y729 PolarHBondContact O-N 2.85Å; Y729-S731 VanDerWaalsContact C-N 3.29Å; Y729-S731 PolarHBondContact O-N 3.17Å | ||
| 730 | T | 38.8 | Very low | 59.9 | Low | 108 Ų | 108 | 104.8 Ų | 104.8 | 66% | 0.663 | 55% | 0.545 | S | S | * | . | trans | -50.1 | 114.3 | 154.3 | 44.5 | 0 | 0 | 0 | 0 | 102.8 | K728 N732 | K728-T730 PolarHBondContact O-N 3.02Å; T730-N732 PolarHBondContact O-N 3.23Å | ||
| 731 | S | 34.1 | Very low | 59.6 | Low | 80 Ų | 80 | 103.9 Ų | 103.9 | 56% | 0.559 | 54% | 0.544 | S | S | * | . | trans | -44.4 | 124.6 | 173.2 | 43.6 | 0 | 0 | 0 | 0 | 105.6 | Y729 T733 | Y729-S731 VanDerWaalsContact C-N 3.29Å; Y729-S731 PolarHBondContact O-N 3.17Å; S731-T733 CarbonylContact O-C 3.59Å; S731-T733 WeakPolarHBondContact O-CA 3.2Å; S731-T733 PolarHBondContact O-N 3.17Å; S731-T733 PolarHBondContact O-OG1 3.07Å; S731-T733 PolarHBondContact OG-OG1 3.42Å | ||
| 732 | N | 37.4 | Very low | 58.9 | Low | 167 Ų | 167 | 105.2 Ų | 105.2 | 89% | 0.893 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -57.7 | 11.6 | 178.8 | -81.5 | -23.3 | 0 | 0 | 0 | 113.3 | T730 A734 | T730-N732 PolarHBondContact O-N 3.23Å; N732-A734 PolarHBondContact O-N 3.17Å |
| 733 | T | 39.3 | Very low | 58.2 | Low | 88 Ų | 88 | 104.5 Ų | 104.5 | 54% | 0.54 | 55% | 0.545 | S | S | . | . | trans | -57.4 | 85.8 | 149.6 | 59.5 | 0 | 0 | 0 | 0 | 107.7 | S731 T735 | S731-T733 CarbonylContact O-C 3.59Å; S731-T733 WeakPolarHBondContact O-CA 3.2Å; S731-T733 PolarHBondContact O-N 3.17Å; S731-T733 PolarHBondContact O-OG1 3.07Å; S731-T733 PolarHBondContact OG-OG1 3.42Å; T733-T735 PolarHBondContact O-N 3.25Å | ||
| 734 | A | 44.5 | Very low | 58.1 | Low | 97 Ų | 97 | 104.8 Ų | 104.8 | 80% | 0.802 | 55% | 0.546 | S | S | * | . | trans | -50.7 | 95.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | N732 F736 | N732-A734 PolarHBondContact O-N 3.17Å; A734-F736 VanDerWaalsContact C-N 3.31Å; A734-F736 PolarHBondContact O-N 3.24Å | ||
| 735 | T | 46.5 | Very low | 58.4 | Low | 89 Ų | 89 | 105.6 Ų | 105.6 | 55% | 0.546 | 55% | 0.552 | S | S | . | * | trans | -68.4 | 101.7 | 178 | 48.3 | 0 | 0 | 0 | 0 | 104.7 | T733 N737 | T733-T735 PolarHBondContact O-N 3.25Å; T735-N737 PolarHBondContact O-N 2.97Å | ||
| 736 | F | 51.5 | Low | 59.1 | Low | 171 Ų | 171 | 99.3 Ų | 99.3 | 75% | 0.75 | 52% | 0.523 | S | S | * | . | trans | -62.3 | 103.9 | 172.7 | 177.4 | -97.7 | 0 | 0 | 0 | 107.1 | A734 L738 | A734-F736 VanDerWaalsContact C-N 3.31Å; A734-F736 PolarHBondContact O-N 3.24Å; F736-L738 HydrophobicContact CD1-CD2 4.31Å; F736-L738 HydrophobicContact CD1-CG 4.05Å; F736-L738 HydrophobicContact CE1-CD2 3.86Å; F736-L738 HydrophobicContact CE1-CG 4.02Å; F736-L738 PolarHBondContact O-N 2.94Å; F736-L738 VanDerWaalsContact O-N 3.07Å | ||
| 737 | N | 58.1 | Low | 60 | Low | 82 Ų | 82 | 98.8 Ų | 98.8 | 44% | 0.439 | 53% | 0.526 | S | S | . | . | trans | -74.4 | 103.1 | 177.1 | -74.5 | -16.4 | 0 | 0 | 0 | 107.9 | N586 T735 V739 | N586-N737 PolarHBondContact OD1-ND2 3.33Å; T735-N737 PolarHBondContact O-N 2.97Å; N737-V739 PolarHBondContact O-N 3.18Å | ||
| 738 | L | 64.3 | Low | 61.8 | Low | 133 Ų | 133 | 97.9 Ų | 97.9 | 70% | 0.696 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 134 | 170.4 | -75.1 | 148.2 | 0 | 0 | 0 | 108.6 | F736 T740 | F736-L738 HydrophobicContact CD1-CD2 4.31Å; F736-L738 HydrophobicContact CD1-CG 4.05Å; F736-L738 HydrophobicContact CE1-CD2 3.86Å; F736-L738 HydrophobicContact CE1-CG 4.02Å; F736-L738 PolarHBondContact O-N 2.94Å; F736-L738 VanDerWaalsContact O-N 3.07Å; L738-T740 PolarHBondContact O-N 2.97Å; L738-T740 VanDerWaalsContact O-N 3.07Å |
| 739 | V | 69.3 | Low | 63.7 | Low | 75 Ų | 75 | 94.7 Ų | 94.7 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 116.9 | 176.5 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | L583 N737 N743 I744 | L583-V739 HydrophobicContact CD1-CG2 4.39Å; N737-V739 PolarHBondContact O-N 3.18Å; V739-N743 HydrophobicContact CG1-CB 4.11Å; V739-I744 HydrophobicContact CB-CD1 4.36Å; V739-I744 HydrophobicContact CG1-CD1 3.46Å; V739-I744 VanDerWaalsContact CG1-CD1 3.46Å; V739-I744 HydrophobicContact CG1-CG1 3.57Å |
| 740 | T | 72.9 | Confident | 66 | Low | 66 Ų | 66 | 87.4 Ų | 87.4 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 157.7 | -178 | 68.4 | 0 | 0 | 0 | 0 | 110.7 | L738 R742 N743 I744 | L738-T740 PolarHBondContact O-N 2.97Å; L738-T740 VanDerWaalsContact O-N 3.07Å; T740-R742 PolarHBondContact O-N 3.44Å; T740-N743 PolarHBondContact O-N 2.84Å; T740-N743 VanDerWaalsContact O-N 3.16Å; T740-N743 VanDerWaalsContact OG1-CG 3.27Å; T740-N743 PolarHBondContact OG1-N 3.46Å; T740-N743 PolarHBondContact OG1-OD1 3.44Å; T740-N743 VanDerWaalsContact OG1-OD1 3.1Å; T740-I744 PolarHBondContact O-N 2.96Å |
| 741 | L | 79.2 | Confident | 68.6 | Low | 133 Ų | 133 | 86.9 Ų | 86.9 | 70% | 0.696 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.5 | -31.3 | 174.2 | -179.3 | 63.4 | 0 | 0 | 0 | 111.7 | I744 S745 F748 | L741-I744 PolarHBondContact O-N 3.25Å; L741-S745 WeakPolarHBondContact O-CA 3.28Å; L741-S745 WeakPolarHBondContact O-CB 3.3Å; L741-S745 PolarHBondContact O-N 3.1Å; L741-F748 HydrophobicContact CD1-CD2 4.43Å; L741-F748 HydrophobicContact CD1-CE2 4.08Å |
| 742 | R | 73.2 | Confident | 71.4 | Confident | 147 Ų | 147 | 86.3 Ų | 86.3 | 56% | 0.555 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.6 | -39.6 | 179.5 | -165.1 | 147.7 | 62.1 | 177 | 8.3 | 111.5 | E478 T740 I744 S745 | E478-R742 VanDerWaalsContact CD-NH2 3.27Å; E478-R742 IonicContact OE1-CZ 3.52Å; E478-R742 IonicContact OE1-NE 3.11Å; E478-R742 IonicContact OE1-NH2 3.29Å; E478-R742 PolarHBondContact OE1-NH2 2.69Å; E478-R742 IonicContact OE2-CZ 3.77Å; E478-R742 VanDerWaalsContact OE2-CZ 3.29Å; E478-R742 IonicContact OE2-NE 3.89Å; E478-R742 PolarHBondContact OE2-NE 3.32Å; E478-R742 IonicContact OE2-NH2 2.84Å; E478-R742 PolarHBondContact OE2-NH2 3.32Å; E478-R742 VanDerWaalsContact OE2-NH2 3.11Å; T740-R742 PolarHBondContact O-N 3.44Å; R742-I744 PolarHBondContact O-N 3.28Å; R742-S745 WeakPolarHBondContact O-CB 3.39Å; R742-S745 PolarHBondContact O-N 3.44Å; R742-S745 PolarHBondContact O-OG 3.33Å |
| 743 | N | 72.5 | Confident | 74.2 | Confident | 32 Ų | 32 | 82.3 Ų | 82.3 | 17% | 0.171 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.7 | -34.1 | 177.6 | -62.1 | 2.7 | 0 | 0 | 0 | 113.1 | V739 T740 | V739-N743 HydrophobicContact CG1-CB 4.11Å; T740-N743 PolarHBondContact O-N 2.84Å; T740-N743 VanDerWaalsContact O-N 3.16Å; T740-N743 VanDerWaalsContact OG1-CG 3.27Å; T740-N743 PolarHBondContact OG1-N 3.46Å; T740-N743 PolarHBondContact OG1-OD1 3.44Å; T740-N743 VanDerWaalsContact OG1-OD1 3.1Å |
| 744 | I | 80.5 | Confident | 76.8 | Confident | 80 Ų | 80 | 84.6 Ų | 84.6 | 41% | 0.41 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -93.5 | -8.9 | 179.2 | -61.2 | 173.6 | 0 | 0 | 0 | 112 | V739 T740 L741 R742 G746 A747 F748 | V739-I744 HydrophobicContact CB-CD1 4.36Å; V739-I744 HydrophobicContact CG1-CD1 3.46Å; V739-I744 VanDerWaalsContact CG1-CD1 3.46Å; V739-I744 HydrophobicContact CG1-CG1 3.57Å; T740-I744 PolarHBondContact O-N 2.96Å; L741-I744 PolarHBondContact O-N 3.25Å; R742-I744 PolarHBondContact O-N 3.28Å; I744-G746 PolarHBondContact O-N 3.33Å; I744-G746 VanDerWaalsContact O-N 3.09Å; I744-A747 HydrophobicContact CG2-CB 4.09Å; I744-A747 VanDerWaalsContact O-CB 3.3Å; I744-A747 WeakPolarHBondContact O-CB 3.28Å; I744-A747 PolarHBondContact O-N 3.03Å; I744-F748 HydrophobicContact CB-CE2 4.48Å; I744-F748 HydrophobicContact CG2-CD2 4.12Å; I744-F748 HydrophobicContact CG2-CE2 3.7Å |
| 745 | S | 83.9 | Confident | 79.3 | Confident | 23 Ų | 23 | 84.5 Ų | 84.5 | 16% | 0.161 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -54.5 | -36.6 | -172.5 | 65.5 | 0 | 0 | 0 | 0 | 113.8 | L480 L741 R742 A747 F748 I749 | L480-S745 VanDerWaalsContact CD2-OG 3.28Å; L480-S745 WeakPolarHBondContact CD2-OG 3.2Å; L741-S745 WeakPolarHBondContact O-CA 3.28Å; L741-S745 WeakPolarHBondContact O-CB 3.3Å; L741-S745 PolarHBondContact O-N 3.1Å; R742-S745 WeakPolarHBondContact O-CB 3.39Å; R742-S745 PolarHBondContact O-N 3.44Å; R742-S745 PolarHBondContact O-OG 3.33Å; S745-A747 PolarHBondContact O-N 3.08Å; S745-F748 PolarHBondContact O-N 3.17Å; S745-F748 VanDerWaalsContact O-N 3.13Å; S745-I749 WeakPolarHBondContact O-CG1 3.44Å; S745-I749 PolarHBondContact O-N 3.22Å |
| 746 | G | 85.2 | Confident | 81.7 | Confident | 1 Ų | 1 | 84.2 Ų | 84.2 | 1% | 0.01 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -56.4 | -33.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L480 I744 I749 V750 | L480-G746 WeakPolarHBondContact O-CA 3.39Å; L480-G746 PolarHBondContact O-N 3.47Å; I744-G746 PolarHBondContact O-N 3.33Å; I744-G746 VanDerWaalsContact O-N 3.09Å; G746-I749 PolarHBondContact O-N 2.8Å; G746-V750 VanDerWaalsContact O-CG2 3.27Å; G746-V750 WeakPolarHBondContact O-CG2 3.46Å; G746-V750 PolarHBondContact O-N 3.33Å |
| 747 | A | 85.2 | Confident | 83.8 | Confident | 33 Ų | 33 | 79 Ų | 79 | 27% | 0.273 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | M483 I744 S745 V750 L751 | M483-A747 HydrophobicContact CE-CB 3.65Å; M483-A747 VanDerWaalsContact CE-N 3.27Å; M483-A747 HydrophobicContact SD-CB 3.69Å; I744-A747 HydrophobicContact CG2-CB 4.09Å; I744-A747 VanDerWaalsContact O-CB 3.3Å; I744-A747 WeakPolarHBondContact O-CB 3.28Å; I744-A747 PolarHBondContact O-N 3.03Å; S745-A747 PolarHBondContact O-N 3.08Å; A747-V750 PolarHBondContact O-N 3.18Å; A747-L751 WeakPolarHBondContact O-CB 3.44Å; A747-L751 PolarHBondContact O-N 2.86Å |
| 748 | F | 89.5 | Confident | 85.5 | Confident | 114 Ų | 114 | 78.7 Ų | 78.7 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.7 | -36 | 175.3 | -67.4 | -71.3 | 0 | 0 | 0 | 112.2 | L741 I744 S745 L751 S752 | L741-F748 HydrophobicContact CD1-CD2 4.43Å; L741-F748 HydrophobicContact CD1-CE2 4.08Å; I744-F748 HydrophobicContact CB-CE2 4.48Å; I744-F748 HydrophobicContact CG2-CD2 4.12Å; I744-F748 HydrophobicContact CG2-CE2 3.7Å; S745-F748 PolarHBondContact O-N 3.17Å; S745-F748 VanDerWaalsContact O-N 3.13Å; F748-L751 PolarHBondContact O-N 3.12Å; F748-S752 WeakPolarHBondContact O-CB 3.28Å; F748-S752 PolarHBondContact O-N 2.87Å; F748-S752 PolarHBondContact O-OG 3.3Å |
| 749 | I | 91 | Very high | 87.1 | Confident | 75 Ų | 75 | 77 Ų | 77 | 39% | 0.385 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.6 | -48.5 | 174.4 | -66.7 | 168.1 | 0 | 0 | 0 | 110.1 | S745 G746 L751 S752 V753 | S745-I749 WeakPolarHBondContact O-CG1 3.44Å; S745-I749 PolarHBondContact O-N 3.22Å; G746-I749 PolarHBondContact O-N 2.8Å; I749-L751 VanDerWaalsContact C-N 3.34Å; I749-L751 PolarHBondContact O-N 2.8Å; I749-S752 WeakPolarHBondContact O-CB 3.49Å; I749-S752 PolarHBondContact O-N 3.49Å; I749-S752 VanDerWaalsContact O-N 3.15Å; I749-V753 WeakPolarHBondContact O-CG2 3.32Å; I749-V753 PolarHBondContact O-N 3.27Å |
| 750 | V | 90 | Very high | 88.3 | Confident | 41 Ų | 41 | 77.7 Ų | 77.7 | 25% | 0.248 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 178.1 | 170 | 0 | 0 | 0 | 0 | 111.1 | F481 F484 G746 A747 S752 V753 F754 | F481-V750 HydrophobicContact CE1-CG2 4.16Å; F484-V750 HydrophobicContact CE2-CG2 3.99Å; F484-V750 HydrophobicContact CZ-CG2 4.13Å; G746-V750 VanDerWaalsContact O-CG2 3.27Å; G746-V750 WeakPolarHBondContact O-CG2 3.46Å; G746-V750 PolarHBondContact O-N 3.33Å; A747-V750 PolarHBondContact O-N 3.18Å; V750-S752 VanDerWaalsContact C-N 3.33Å; V750-S752 PolarHBondContact O-N 2.94Å; V750-V753 PolarHBondContact O-N 2.04Å; V750-F754 HydrophobicContact CG1-CD2 3.68Å; V750-F754 HydrophobicContact CG1-CE2 3.47Å; V750-F754 VanDerWaalsContact CG1-CE2 3.47Å; V750-F754 WeakPolarHBondContact O-CD2 3.14Å; V750-F754 PolarHBondContact O-N 2.87Å |
| 751 | L | 92 | Very high | 89.4 | Confident | 98 Ų | 98 | 78 Ų | 78 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 175.1 | 179.3 | 64.3 | 0 | 0 | 0 | 112 | A747 F748 I749 V753 F754 I755 | A747-L751 WeakPolarHBondContact O-CB 3.44Å; A747-L751 PolarHBondContact O-N 2.86Å; F748-L751 PolarHBondContact O-N 3.12Å; I749-L751 VanDerWaalsContact C-N 3.34Å; I749-L751 PolarHBondContact O-N 2.8Å; L751-V753 VanDerWaalsContact C-N 3.33Å; L751-V753 PolarHBondContact O-N 3.29Å; L751-F754 PolarHBondContact O-N 2.96Å; L751-F754 VanDerWaalsContact O-N 3.16Å; L751-I755 HydrophobicContact CD1-CD1 4.41Å; L751-I755 HydrophobicContact CG-CD1 4.08Å; L751-I755 WeakPolarHBondContact O-CG1 3.41Å; L751-I755 PolarHBondContact O-N 3.44Å |
| 752 | S | 94.1 | Very high | 90.1 | Very high | 67 Ų | 67 | 75.8 Ų | 75.8 | 47% | 0.469 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 179.1 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | F748 I749 V750 F754 I755 V756 | F748-S752 WeakPolarHBondContact O-CB 3.28Å; F748-S752 PolarHBondContact O-N 2.87Å; F748-S752 PolarHBondContact O-OG 3.3Å; I749-S752 WeakPolarHBondContact O-CB 3.49Å; I749-S752 PolarHBondContact O-N 3.49Å; I749-S752 VanDerWaalsContact O-N 3.15Å; V750-S752 VanDerWaalsContact C-N 3.33Å; V750-S752 PolarHBondContact O-N 2.94Å; S752-F754 VanDerWaalsContact C-N 3.35Å; S752-F754 PolarHBondContact O-N 3.09Å; S752-I755 PolarHBondContact O-N 3.41Å; S752-V756 WeakPolarHBondContact O-CG2 3.48Å; S752-V756 PolarHBondContact O-N 2.72Å |
| 753 | V | 95.3 | Very high | 91.1 | Very high | 84 Ų | 84 | 73.1 Ų | 73.1 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 174 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | I749 V750 L751 I755 V756 T757 | I749-V753 WeakPolarHBondContact O-CG2 3.32Å; I749-V753 PolarHBondContact O-N 3.27Å; V750-V753 PolarHBondContact O-N 2.04Å; L751-V753 VanDerWaalsContact C-N 3.33Å; L751-V753 PolarHBondContact O-N 3.29Å; V753-I755 VanDerWaalsContact C-N 3.34Å; V753-I755 PolarHBondContact O-N 3.38Å; V753-V756 PolarHBondContact O-N 2.82Å; V753-T757 HydrophobicContact CG1-CG2 4.29Å; V753-T757 WeakPolarHBondContact O-CG2 3.44Å; V753-T757 PolarHBondContact O-N 3.05Å; V753-T757 PolarHBondContact O-OG1 3.32Å; V753-T757 VanDerWaalsContact O-OG1 3.09Å |
| 754 | F | 94.7 | Very high | 92.2 | Very high | 136 Ų | 136 | 76 Ų | 76 | 60% | 0.596 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.9 | -35.1 | 176.8 | -81.3 | -66.4 | 0 | 0 | 0 | 113.6 | V750 L751 S752 T757 S758 | V750-F754 HydrophobicContact CG1-CD2 3.68Å; V750-F754 HydrophobicContact CG1-CE2 3.47Å; V750-F754 VanDerWaalsContact CG1-CE2 3.47Å; V750-F754 WeakPolarHBondContact O-CD2 3.14Å; V750-F754 PolarHBondContact O-N 2.87Å; L751-F754 PolarHBondContact O-N 2.96Å; L751-F754 VanDerWaalsContact O-N 3.16Å; S752-F754 VanDerWaalsContact C-N 3.35Å; S752-F754 PolarHBondContact O-N 3.09Å; F754-T757 WeakPolarHBondContact CA-OG1 3.33Å; F754-T757 PolarHBondContact O-OG1 2.93Å; F754-S758 WeakPolarHBondContact O-CB 3.39Å; F754-S758 PolarHBondContact O-N 3.35Å |
| 755 | I | 96.5 | Very high | 92.7 | Very high | 94 Ų | 94 | 77.5 Ų | 77.5 | 48% | 0.482 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 175.3 | -67.8 | 165.9 | 0 | 0 | 0 | 110.5 | L751 S752 V753 S758 L759 | L751-I755 HydrophobicContact CD1-CD1 4.41Å; L751-I755 HydrophobicContact CG-CD1 4.08Å; L751-I755 WeakPolarHBondContact O-CG1 3.41Å; L751-I755 PolarHBondContact O-N 3.44Å; S752-I755 PolarHBondContact O-N 3.41Å; V753-I755 VanDerWaalsContact C-N 3.34Å; V753-I755 PolarHBondContact O-N 3.38Å; I755-S758 WeakPolarHBondContact O-CB 3.45Å; I755-S758 PolarHBondContact O-N 2.75Å; I755-L759 WeakPolarHBondContact O-CG 3.4Å; I755-L759 PolarHBondContact O-N 3.41Å |
| 756 | V | 96.3 | Very high | 93.2 | Very high | 83 Ų | 83 | 80.1 Ų | 80.1 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 179 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | S752 V753 S758 L759 I760 | S752-V756 WeakPolarHBondContact O-CG2 3.48Å; S752-V756 PolarHBondContact O-N 2.72Å; V753-V756 PolarHBondContact O-N 2.82Å; V756-S758 VanDerWaalsContact C-N 3.33Å; V756-S758 PolarHBondContact O-N 3.3Å; V756-L759 PolarHBondContact O-N 2.96Å; V756-I760 HydrophobicContact CG1-CD1 4.06Å; V756-I760 WeakPolarHBondContact O-CG1 3.24Å; V756-I760 PolarHBondContact O-N 3.19Å |
| 757 | T | 95.1 | Very high | 93.5 | Very high | 61 Ų | 61 | 87 Ų | 87 | 37% | 0.374 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 176.5 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | V753 F754 L759 I760 V761 | V753-T757 HydrophobicContact CG1-CG2 4.29Å; V753-T757 WeakPolarHBondContact O-CG2 3.44Å; V753-T757 PolarHBondContact O-N 3.05Å; V753-T757 PolarHBondContact O-OG1 3.32Å; V753-T757 VanDerWaalsContact O-OG1 3.09Å; F754-T757 WeakPolarHBondContact CA-OG1 3.33Å; F754-T757 PolarHBondContact O-OG1 2.93Å; T757-L759 PolarHBondContact O-N 2.86Å; T757-I760 PolarHBondContact O-N 3.22Å; T757-V761 WeakPolarHBondContact O-CG2 3.5Å; T757-V761 PolarHBondContact O-N 3.47Å |
| 758 | S | 95.6 | Very high | 93.8 | Very high | 77 Ų | 77 | 94.3 Ų | 94.3 | 54% | 0.538 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59 | -44.3 | 173.1 | -179.7 | 0 | 0 | 0 | 0 | 112.4 | F754 I755 V756 I760 V761 L762 | F754-S758 WeakPolarHBondContact O-CB 3.39Å; F754-S758 PolarHBondContact O-N 3.35Å; I755-S758 WeakPolarHBondContact O-CB 3.45Å; I755-S758 PolarHBondContact O-N 2.75Å; V756-S758 VanDerWaalsContact C-N 3.33Å; V756-S758 PolarHBondContact O-N 3.3Å; S758-I760 VanDerWaalsContact C-N 3.34Å; S758-I760 PolarHBondContact O-N 2.64Å; S758-V761 PolarHBondContact O-N 3.46Å; S758-L762 WeakPolarHBondContact O-CB 2.97Å; S758-L762 PolarHBondContact O-N 3.01Å |
| 759 | L | 96.1 | Very high | 93.7 | Very high | 97 Ų | 97 | 94.5 Ų | 94.5 | 51% | 0.508 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 174.6 | -72.6 | 171.4 | 0 | 0 | 0 | 112.5 | I755 V756 T757 L762 I763 | I755-L759 WeakPolarHBondContact O-CG 3.4Å; I755-L759 PolarHBondContact O-N 3.41Å; V756-L759 PolarHBondContact O-N 2.96Å; T757-L759 PolarHBondContact O-N 2.86Å; L759-L762 PolarHBondContact O-N 3.48Å; L759-I763 VanDerWaalsContact O-CG1 3.3Å; L759-I763 WeakPolarHBondContact O-CG1 2.89Å; L759-I763 PolarHBondContact O-N 3.25Å |
| 760 | I | 95.8 | Very high | 93.5 | Very high | 90 Ų | 90 | 97.8 Ų | 97.8 | 46% | 0.462 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 176.7 | -67 | 165.4 | 0 | 0 | 0 | 110.6 | V756 T757 S758 L762 I763 I764 | V756-I760 HydrophobicContact CG1-CD1 4.06Å; V756-I760 WeakPolarHBondContact O-CG1 3.24Å; V756-I760 PolarHBondContact O-N 3.19Å; T757-I760 PolarHBondContact O-N 3.22Å; S758-I760 VanDerWaalsContact C-N 3.34Å; S758-I760 PolarHBondContact O-N 2.64Å; I760-L762 VanDerWaalsContact C-N 3.32Å; I760-L762 PolarHBondContact O-N 2.92Å; I760-I763 PolarHBondContact O-N 3.01Å; I760-I764 HydrophobicContact CG2-CD1 3.9Å; I760-I764 WeakPolarHBondContact O-CG1 3.4Å; I760-I764 PolarHBondContact O-N 3.3Å |
| 761 | V | 95 | Very high | 93.3 | Very high | 73 Ų | 73 | 103.3 Ų | 103.3 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | 176.3 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | T757 S758 I763 I764 E765 | T757-V761 WeakPolarHBondContact O-CG2 3.5Å; T757-V761 PolarHBondContact O-N 3.47Å; S758-V761 PolarHBondContact O-N 3.46Å; V761-I763 VanDerWaalsContact C-N 3.33Å; V761-I763 PolarHBondContact O-N 3.46Å; V761-I764 CarbonylContact O-C 3.49Å; V761-I764 WeakPolarHBondContact O-CA 3.24Å; V761-I764 WeakPolarHBondContact O-CB 3.24Å; V761-I764 PolarHBondContact O-N 2.84Å; V761-I764 VanDerWaalsContact O-N 3.07Å; V761-E765 HydrophobicContact CG1-CG 4.28Å; V761-E765 WeakPolarHBondContact CG1-OE1 3.07Å; V761-E765 WeakPolarHBondContact O-CG 3.3Å; V761-E765 PolarHBondContact O-N 3.4Å |
| 762 | L | 94.6 | Very high | 92.8 | Very high | 85 Ų | 85 | 101 Ų | 101 | 45% | 0.445 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 175.4 | -178.9 | 65.5 | 0 | 0 | 0 | 112.4 | S758 L759 I760 I764 E765 I766 | S758-L762 WeakPolarHBondContact O-CB 2.97Å; S758-L762 PolarHBondContact O-N 3.01Å; L759-L762 PolarHBondContact O-N 3.48Å; I760-L762 VanDerWaalsContact C-N 3.32Å; I760-L762 PolarHBondContact O-N 2.92Å; L762-I764 VanDerWaalsContact C-N 3.32Å; L762-I764 PolarHBondContact O-N 3.34Å; L762-E765 PolarHBondContact O-N 2.95Å; L762-I766 HydrophobicContact CD1-CD1 4.26Å; L762-I766 HydrophobicContact CD1-CG1 4.48Å; L762-I766 HydrophobicContact CG-CD1 4.04Å; L762-I766 VanDerWaalsContact O-CG1 3.25Å; L762-I766 WeakPolarHBondContact O-CG1 3.41Å; L762-I766 PolarHBondContact O-N 2.97Å |
| 763 | I | 95.1 | Very high | 92.1 | Very high | 92 Ų | 92 | 101.3 Ų | 101.3 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 175.9 | -68.6 | 164.7 | 0 | 0 | 0 | 110.9 | L759 I760 V761 K767 | L759-I763 VanDerWaalsContact O-CG1 3.3Å; L759-I763 WeakPolarHBondContact O-CG1 2.89Å; L759-I763 PolarHBondContact O-N 3.25Å; I760-I763 PolarHBondContact O-N 3.01Å; V761-I763 VanDerWaalsContact C-N 3.33Å; V761-I763 PolarHBondContact O-N 3.46Å; I763-K767 HydrophobicContact CG2-CD 4.32Å; I763-K767 WeakPolarHBondContact O-CB 3.35Å; I763-K767 WeakPolarHBondContact O-CG 3.48Å; I763-K767 PolarHBondContact O-N 2.97Å |
| 764 | I | 94.4 | Very high | 91.4 | Very high | 92 Ų | 92 | 104.2 Ų | 104.2 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -46 | 176.5 | -67 | 165.9 | 0 | 0 | 0 | 110.1 | I760 V761 L762 I766 K767 W768 | I760-I764 HydrophobicContact CG2-CD1 3.9Å; I760-I764 WeakPolarHBondContact O-CG1 3.4Å; I760-I764 PolarHBondContact O-N 3.3Å; V761-I764 CarbonylContact O-C 3.49Å; V761-I764 WeakPolarHBondContact O-CA 3.24Å; V761-I764 WeakPolarHBondContact O-CB 3.24Å; V761-I764 PolarHBondContact O-N 2.84Å; V761-I764 VanDerWaalsContact O-N 3.07Å; L762-I764 VanDerWaalsContact C-N 3.32Å; L762-I764 PolarHBondContact O-N 3.34Å; I764-I766 PolarHBondContact O-N 2.97Å; I764-K767 PolarHBondContact O-N 2.94Å; I764-W768 VanDerWaalsContact O-CB 3.27Å; I764-W768 WeakPolarHBondContact O-CB 3.35Å; I764-W768 PolarHBondContact O-N 2.93Å |
| 765 | E | 92 | Very high | 90.5 | Very high | 112 Ų | 112 | 103.9 Ų | 103.9 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 176.8 | -74.6 | 175.2 | -179.5 | 0 | 0 | 111.5 | V761 L762 K767 W768 H769 | V761-E765 HydrophobicContact CG1-CG 4.28Å; V761-E765 WeakPolarHBondContact CG1-OE1 3.07Å; V761-E765 WeakPolarHBondContact O-CG 3.3Å; V761-E765 PolarHBondContact O-N 3.4Å; L762-E765 PolarHBondContact O-N 2.95Å; E765-K767 VanDerWaalsContact C-N 3.33Å; E765-K767 PolarHBondContact O-N 3.37Å; E765-W768 PolarHBondContact O-N 3.18Å; E765-H769 WeakPolarHBondContact O-CB 3.48Å; E765-H769 PolarHBondContact O-N 3.49Å |
| 766 | I | 92.9 | Very high | 89.1 | Confident | 78 Ų | 78 | 105.9 Ų | 105.9 | 40% | 0.4 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 177.9 | -69.2 | 166.5 | 0 | 0 | 0 | 110.8 | L762 I764 K770 | L762-I766 HydrophobicContact CD1-CD1 4.26Å; L762-I766 HydrophobicContact CD1-CG1 4.48Å; L762-I766 HydrophobicContact CG-CD1 4.04Å; L762-I766 VanDerWaalsContact O-CG1 3.25Å; L762-I766 WeakPolarHBondContact O-CG1 3.41Å; L762-I766 PolarHBondContact O-N 2.97Å; I764-I766 PolarHBondContact O-N 2.97Å; I766-K770 HydrophobicContact CG2-CD 4.29Å; I766-K770 WeakPolarHBondContact O-CB 3.09Å; I766-K770 VanDerWaalsContact O-CG 3.29Å; I766-K770 WeakPolarHBondContact O-CG 3.33Å; I766-K770 PolarHBondContact O-N 3.42Å |
| 767 | K | 92.3 | Very high | 87.6 | Confident | 146 Ų | 146 | 110.4 Ų | 110.4 | 64% | 0.635 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66 | -44.4 | 177.1 | -76.2 | 179 | 178.8 | 177.5 | 0 | 111.4 | I763 I764 E765 K770 Y771 | I763-K767 HydrophobicContact CG2-CD 4.32Å; I763-K767 WeakPolarHBondContact O-CB 3.35Å; I763-K767 WeakPolarHBondContact O-CG 3.48Å; I763-K767 PolarHBondContact O-N 2.97Å; I764-K767 PolarHBondContact O-N 2.94Å; E765-K767 VanDerWaalsContact C-N 3.33Å; E765-K767 PolarHBondContact O-N 3.37Å; K767-K770 PolarHBondContact O-N 3.09Å; K767-Y771 WeakPolarHBondContact O-CB 3.48Å; K767-Y771 PolarHBondContact O-N 3.05Å |
| 768 | W | 91 | Very high | 86 | Confident | 185 Ų | 185 | 113.2 Ų | 113.2 | 70% | 0.701 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.3 | -45.2 | 178.7 | -169.5 | -66.7 | 0 | 0 | 0 | 111.3 | I764 E765 K770 Y771 S772 | I764-W768 VanDerWaalsContact O-CB 3.27Å; I764-W768 WeakPolarHBondContact O-CB 3.35Å; I764-W768 PolarHBondContact O-N 2.93Å; E765-W768 PolarHBondContact O-N 3.18Å; W768-K770 PolarHBondContact O-N 3.26Å; W768-Y771 CarbonylContact O-C 3.59Å; W768-Y771 WeakPolarHBondContact O-CB 3.29Å; W768-Y771 PolarHBondContact O-N 2.93Å; W768-Y771 VanDerWaalsContact O-N 3.15Å; W768-S772 WeakPolarHBondContact O-CB 2.86Å; W768-S772 PolarHBondContact O-N 3.47Å |
| 769 | H | 87.3 | Confident | 83.9 | Confident | 119 Ų | 119 | 115.3 Ų | 115.3 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.3 | -46.2 | 177.9 | -178.7 | -104.1 | 0 | 0 | 0 | 111.1 | E765 Y771 S772 L773 | E765-H769 WeakPolarHBondContact O-CB 3.48Å; E765-H769 PolarHBondContact O-N 3.49Å; H769-Y771 VanDerWaalsContact C-N 3.31Å; H769-Y771 PolarHBondContact O-N 2.87Å; H769-S772 PolarHBondContact O-N 2.91Å; H769-L773 WeakPolarHBondContact CE1-CD1 3.5Å; H769-L773 WeakPolarHBondContact O-CB 3.37Å; H769-L773 WeakPolarHBondContact O-CG 3.43Å; H769-L773 PolarHBondContact O-N 3.04Å |
| 770 | K | 88 | Confident | 81.6 | Confident | 143 Ų | 143 | 116.4 Ų | 116.4 | 62% | 0.622 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.6 | -40.7 | 173.1 | -75.5 | 177.8 | -179 | -180 | 0 | 112.2 | I766 K767 W768 K774 | I766-K770 HydrophobicContact CG2-CD 4.29Å; I766-K770 WeakPolarHBondContact O-CB 3.09Å; I766-K770 VanDerWaalsContact O-CG 3.29Å; I766-K770 WeakPolarHBondContact O-CG 3.33Å; I766-K770 PolarHBondContact O-N 3.42Å; K767-K770 PolarHBondContact O-N 3.09Å; W768-K770 PolarHBondContact O-N 3.26Å; K770-K774 WeakPolarHBondContact O-CB 3.18Å; K770-K774 PolarHBondContact O-N 3.47Å; K770-K774 VanDerWaalsContact O-N 3.11Å |
| 771 | Y | 86.1 | Confident | 79.2 | Confident | 158 Ų | 158 | 120.2 Ų | 120.2 | 62% | 0.62 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.5 | -44.3 | 176.9 | 179.8 | -102.9 | 0 | 0 | 0 | 112.4 | K767 W768 H769 K774 K775 | K767-Y771 WeakPolarHBondContact O-CB 3.48Å; K767-Y771 PolarHBondContact O-N 3.05Å; W768-Y771 CarbonylContact O-C 3.59Å; W768-Y771 WeakPolarHBondContact O-CB 3.29Å; W768-Y771 PolarHBondContact O-N 2.93Å; W768-Y771 VanDerWaalsContact O-N 3.15Å; H769-Y771 VanDerWaalsContact C-N 3.31Å; H769-Y771 PolarHBondContact O-N 2.87Å; Y771-K774 PolarHBondContact O-N 2.91Å; Y771-K775 PolarHBondContact O-N 2.89Å |
| 772 | S | 80.5 | Confident | 76.7 | Confident | 50 Ų | 50 | 121.7 Ų | 121.7 | 35% | 0.35 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.9 | -46.5 | 178.1 | -167.3 | 0 | 0 | 0 | 0 | 111.6 | W768 H769 K774 K775 E776 | W768-S772 WeakPolarHBondContact O-CB 2.86Å; W768-S772 PolarHBondContact O-N 3.47Å; H769-S772 PolarHBondContact O-N 2.91Å; S772-K774 VanDerWaalsContact C-N 3.29Å; S772-K774 PolarHBondContact O-N 3.49Å; S772-K775 WeakPolarHBondContact O-CB 3.33Å; S772-K775 PolarHBondContact O-N 3.22Å; S772-K775 VanDerWaalsContact O-N 3.09Å; S772-E776 PolarHBondContact O-N 2.58Å |
| 773 | L | 79.5 | Confident | 74 | Confident | 72 Ų | 72 | 127.5 Ų | 127.5 | 38% | 0.377 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59.7 | -39.1 | 174.6 | -80.2 | 167.9 | 0 | 0 | 0 | 112.3 | H769 K775 K777 | H769-L773 WeakPolarHBondContact CE1-CD1 3.5Å; H769-L773 WeakPolarHBondContact O-CB 3.37Å; H769-L773 WeakPolarHBondContact O-CG 3.43Å; H769-L773 PolarHBondContact O-N 3.04Å; L773-K775 VanDerWaalsContact C-N 3.33Å; L773-K777 WeakPolarHBondContact O-CG 3.39Å; L773-K777 PolarHBondContact O-N 3.49Å; L773-K777 VanDerWaalsContact O-N 3.12Å |
| 774 | K | 80.4 | Confident | 71.2 | Confident | 145 Ų | 145 | 130.2 Ų | 130.2 | 63% | 0.63 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.9 | -38.8 | 176.1 | -166.5 | 175.2 | -178.7 | -178.8 | 0 | 111.1 | K770 Y771 S772 K777 L778 | K770-K774 WeakPolarHBondContact O-CB 3.18Å; K770-K774 PolarHBondContact O-N 3.47Å; K770-K774 VanDerWaalsContact O-N 3.11Å; Y771-K774 PolarHBondContact O-N 2.91Å; S772-K774 VanDerWaalsContact C-N 3.29Å; S772-K774 PolarHBondContact O-N 3.49Å; K774-K777 PolarHBondContact O-N 3.05Å; K774-L778 HydrophobicContact CG-CD1 4.21Å; K774-L778 PolarHBondContact O-N 3.27Å |
| 775 | K | 75.1 | Confident | 68.4 | Low | 130 Ų | 130 | 130.5 Ų | 130.5 | 57% | 0.565 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.4 | -42.5 | 177.8 | -168.3 | -179.9 | -179.9 | -176.7 | 0 | 112.4 | Y771 S772 L773 L778 H779 | Y771-K775 PolarHBondContact O-N 2.89Å; S772-K775 WeakPolarHBondContact O-CB 3.33Å; S772-K775 PolarHBondContact O-N 3.22Å; S772-K775 VanDerWaalsContact O-N 3.09Å; L773-K775 VanDerWaalsContact C-N 3.33Å; K775-L778 PolarHBondContact O-N 3.23Å; K775-L778 VanDerWaalsContact O-N 3.17Å; K775-H779 PolarHBondContact O-N 3.43Å |
| 776 | E | 67.6 | Low | 65.8 | Low | 135 Ų | 135 | 130.6 Ų | 130.6 | 63% | 0.631 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.5 | -40.8 | 175 | -81.5 | -172.1 | 151.4 | 0 | 0 | 112.1 | S772 L778 H779 | S772-E776 PolarHBondContact O-N 2.58Å; E776-L778 PolarHBondContact O-N 2.81Å; E776-H779 CarbonylContact O-C 3.46Å; E776-H779 PolarHBondContact O-N 3.04Å |
| 777 | K | 65.1 | Low | 63.2 | Low | 179 Ų | 179 | 134.6 Ų | 134.6 | 78% | 0.778 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -62.6 | -28.3 | 173.9 | -72.8 | -178.6 | -178.5 | -174.4 | 0 | 113.3 | L773 K774 | L773-K777 WeakPolarHBondContact O-CG 3.39Å; L773-K777 PolarHBondContact O-N 3.49Å; L773-K777 VanDerWaalsContact O-N 3.12Å; K774-K777 PolarHBondContact O-N 3.05Å |
| 778 | L | 60.8 | Low | 60.5 | Low | 120 Ų | 120 | 130.3 Ų | 130.3 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -86.1 | -20.3 | 178.5 | -92.5 | 147.2 | 0 | 0 | 0 | 113.6 | K774 K775 E776 | K774-L778 HydrophobicContact CG-CD1 4.21Å; K774-L778 PolarHBondContact O-N 3.27Å; K775-L778 PolarHBondContact O-N 3.23Å; K775-L778 VanDerWaalsContact O-N 3.17Å; E776-L778 PolarHBondContact O-N 2.81Å |
| 779 | H | 51.3 | Low | 58.1 | Low | 121 Ų | 121 | 130.8 Ų | 130.8 | 56% | 0.56 | 67% | 0.67 | S | S | * | * | trans | -141 | 78.9 | 179.7 | -78.3 | -58.4 | 0 | 0 | 0 | 112.4 | K775 E776 K781 | K775-H779 PolarHBondContact O-N 3.43Å; E776-H779 CarbonylContact O-C 3.46Å; E776-H779 PolarHBondContact O-N 3.04Å; H779-K781 HydrophobicContact CB-CG 4.5Å; H779-K781 PolarHBondContact O-N 3.31Å | ||
| 780 | P | 49.5 | Very low | 56.2 | Low | 119 Ų | 119 | 128.5 Ų | 128.5 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | trans | -69.7 | 83.9 | 161.8 | 29.7 | -31.8 | 0 | 0 | 0 | 108.3 | ||||
| 781 | K | 45.1 | Very low | 54.5 | Low | 171 Ų | 171 | 125.4 Ų | 125.4 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | trans | -88.4 | 119.9 | 176.4 | -82.9 | -172.5 | 174.9 | -177.7 | 0 | 110.3 | H779 K783 | H779-K781 HydrophobicContact CB-CG 4.5Å; H779-K781 PolarHBondContact O-N 3.31Å; K781-K783 PolarHBondContact O-N 2.96Å | ||
| 782 | S | 41.5 | Very low | 53 | Low | 104 Ų | 104 | 123.9 Ų | 123.9 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | trans | -47.6 | 115.8 | 170.3 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | N784 | S782-N784 PolarHBondContact O-N 3.49Š| ||
| 783 | K | 39.1 | Very low | 51.7 | Low | 206 Ų | 206 | 131.2 Ų | 131.2 | 90% | 0.896 | 68% | 0.684 | S | S | * | * | trans | -65.1 | 99 | 165.7 | -88.6 | 178.4 | 171.6 | 176 | 0 | 108.5 | K781 | K781-K783 PolarHBondContact O-N 2.96Š| ||
| 784 | N | 35 | Very low | 50.5 | Low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 70% | 0.697 | S | S | * | * | trans | -106.7 | 125.2 | 157.5 | -87.4 | -5.2 | 0 | 0 | 0 | 109 | S782 | S782-N784 PolarHBondContact O-N 3.49Š| ||
| 785 | S | 35.6 | Very low | 49.4 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | trans | -43.6 | 135.1 | 175.7 | 167.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 786 | S | 38.1 | Very low | 48.4 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 80% | 0.797 | 67% | 0.671 | S | S | * | * | trans | -140.1 | 97.6 | 156 | 62.6 | 0 | 0 | 0 | 0 | 108.2 | G788 | S786-G788 PolarHBondContact O-N 3.18Š| ||
| 787 | D | 37.3 | Very low | 47.9 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 87% | 0.872 | 66% | 0.661 | S | S | * | * | trans | -61.6 | 91.3 | 172 | -67.6 | -46.3 | 0 | 0 | 0 | 110.3 | ||||
| 788 | G | 35.7 | Very low | 47.5 | Very low | 56 Ų | 56 | 126.3 Ų | 126.3 | 58% | 0.577 | 66% | 0.657 | S | S | * | * | trans | -115.7 | 119.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | S786 P790 | S786-G788 PolarHBondContact O-N 3.18Å; G788-P790 WeakPolarHBondContact O-CD 3.31Å | ||
| 789 | H | 41.9 | Very low | 47.2 | Very low | 194 Ų | 194 | 121.4 Ų | 121.4 | 90% | 0.898 | 63% | 0.633 | S | S | * | * | trans | -38.9 | 112.1 | 173.4 | -115.6 | -85 | 0 | 0 | 0 | 109.6 | S791 | H789-S791 PolarHBondContact O-N 2.83Š| ||
| 790 | P | 47.5 | Very low | 47.4 | Very low | 72 Ų | 72 | 120.4 Ų | 120.4 | 47% | 0.468 | 64% | 0.635 | S | S | . | * | trans | -64.2 | 129.8 | -173.7 | 21.4 | -29.8 | 0 | 0 | 0 | 108.8 | G788 R794 | G788-P790 WeakPolarHBondContact O-CD 3.31Å; P790-R794 HydrophobicContact CB-CB 4.32Å | ||
| 791 | S | 52.2 | Low | 47.6 | Very low | 77 Ų | 77 | 123.3 Ų | 123.3 | 54% | 0.538 | 64% | 0.639 | S | S | . | * | trans | -53 | 143.4 | 171.9 | 58.5 | 0 | 0 | 0 | 0 | 109.4 | H789 W793 R794 R795 | H789-S791 PolarHBondContact O-N 2.83Å; S791-W793 PolarHBondContact O-N 3.35Å; S791-R794 WeakPolarHBondContact O-CB 3.27Å; S791-R794 PolarHBondContact O-N 2.94Å; S791-R795 PolarHBondContact O-N 3.39Å | ||
| 792 | I | 54.9 | Low | 48.1 | Very low | 127 Ų | 127 | 123.1 Ų | 123.1 | 65% | 0.651 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -46.8 | -43.4 | -176 | -71.4 | 169.9 | 0 | 0 | 0 | 111.3 | R794 R795 F796 | I792-R794 VanDerWaalsContact C-N 3.33Å; I792-R794 PolarHBondContact O-N 3.41Å; I792-R795 WeakPolarHBondContact O-CB 3.18Å; I792-R795 PolarHBondContact O-N 3.43Å; I792-R795 VanDerWaalsContact O-N 3.12Å; I792-F796 HydrophobicContact CG2-CD2 3.75Å; I792-F796 HydrophobicContact CG2-CE2 3.51Å; I792-F796 VanDerWaalsContact O-CD2 3.29Å; I792-F796 WeakPolarHBondContact O-CD2 3.3Å; I792-F796 PolarHBondContact O-N 3.28Å |
| 793 | W | 51.6 | Low | 48.7 | Very low | 204 Ų | 204 | 122.6 Ų | 122.6 | 77% | 0.773 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -57.6 | -35.1 | 176.4 | -79.1 | 96.4 | 0 | 0 | 0 | 115.2 | S791 R795 F796 T797 | S791-W793 PolarHBondContact O-N 3.35Å; W793-R795 VanDerWaalsContact C-N 3.34Å; W793-F796 PolarHBondContact O-N 3.41Å; W793-T797 PolarHBondContact O-N 3.35Å; W793-T797 PolarHBondContact O-OG1 3.24Å |
| 794 | R | 55.3 | Low | 49.6 | Very low | 171 Ų | 171 | 114.4 Ų | 114.4 | 65% | 0.645 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.4 | -34.9 | 177.9 | -153.9 | 178.8 | -148.7 | 175.7 | 6.4 | 111.3 | P790 S791 I792 F796 T797 H798 | P790-R794 HydrophobicContact CB-CB 4.32Å; S791-R794 WeakPolarHBondContact O-CB 3.27Å; S791-R794 PolarHBondContact O-N 2.94Å; I792-R794 VanDerWaalsContact C-N 3.33Å; I792-R794 PolarHBondContact O-N 3.41Å; R794-F796 VanDerWaalsContact C-N 3.32Å; R794-T797 PolarHBondContact O-N 3.47Å; R794-T797 PolarHBondContact O-OG1 3.01Å; R794-H798 CarbonylContact O-C 3.51Å; R794-H798 PolarHBondContact O-N 3.18Å |
| 795 | R | 56.7 | Low | 50.5 | Low | 128 Ų | 128 | 116.4 Ų | 116.4 | 48% | 0.483 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.5 | -30 | 175.3 | -163.7 | 172.7 | -176.1 | 154.6 | 2.2 | 112.7 | S791 I792 W793 | S791-R795 PolarHBondContact O-N 3.39Å; I792-R795 WeakPolarHBondContact O-CB 3.18Å; I792-R795 PolarHBondContact O-N 3.43Å; I792-R795 VanDerWaalsContact O-N 3.12Å; W793-R795 VanDerWaalsContact C-N 3.34Å |
| 796 | F | 55.2 | Low | 51.5 | Low | 38 Ų | 38 | 115.1 Ų | 115.1 | 17% | 0.167 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -73.5 | -34.3 | 176.5 | -90.6 | -80.6 | 0 | 0 | 0 | 114.1 | T507 I508 I511 I792 W793 R794 | T507-F796 HydrophobicContact CG2-CD1 3.92Å; T507-F796 HydrophobicContact CG2-CE1 3.87Å; I508-F796 HydrophobicContact CD1-CE1 3.85Å; I508-F796 HydrophobicContact CD1-CZ 3.51Å; I508-F796 HydrophobicContact CG1-CE1 4.5Å; I511-F796 HydrophobicContact CD1-CD1 3.73Å; I511-F796 HydrophobicContact CD1-CE1 3.27Å; I511-F796 HydrophobicContact CD1-CE2 4.26Å; I511-F796 HydrophobicContact CD1-CG 4.4Å; I511-F796 HydrophobicContact CD1-CZ 3.55Å; I792-F796 HydrophobicContact CG2-CD2 3.75Å; I792-F796 HydrophobicContact CG2-CE2 3.51Å; I792-F796 VanDerWaalsContact O-CD2 3.29Å; I792-F796 WeakPolarHBondContact O-CD2 3.3Å; I792-F796 PolarHBondContact O-N 3.28Å; W793-F796 PolarHBondContact O-N 3.41Å; R794-F796 VanDerWaalsContact C-N 3.32Å |
| 797 | T | 57.4 | Low | 52.3 | Low | 69 Ų | 69 | 118 Ų | 118 | 42% | 0.423 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -97.6 | -37.6 | -171.3 | 47.3 | 0 | 0 | 0 | 0 | 113 | W793 R794 | W793-T797 PolarHBondContact O-N 3.35Å; W793-T797 PolarHBondContact O-OG1 3.24Å; R794-T797 PolarHBondContact O-N 3.47Å; R794-T797 PolarHBondContact O-OG1 3.01Å |
| 798 | H | 56.2 | Low | 52.9 | Low | 151 Ų | 151 | 114.9 Ų | 114.9 | 70% | 0.699 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -138.1 | 76.2 | 177.4 | -65.7 | -68.9 | 0 | 0 | 0 | 109.5 | R794 T800 | R794-H798 CarbonylContact O-C 3.51Å; R794-H798 PolarHBondContact O-N 3.18Å; H798-T800 PolarHBondContact O-N 3.47Å |
| 799 | P | 55 | Low | 53.7 | Low | 18 Ų | 18 | 118.5 Ų | 118.5 | 12% | 0.117 | 57% | 0.574 | C | S | . | * | trans | -55.1 | 122.5 | 167.8 | 22.3 | -32.4 | 0 | 0 | 0 | 109.7 | I530 | I530-P799 HydrophobicContact CD1-CB 3.54Å; I530-P799 HydrophobicContact CD1-CG 4.26Å; I530-P799 HydrophobicContact CG1-CB 3.99Å; I530-P799 HydrophobicContact CG1-CG 4.17Å | ||
| 800 | T | 53.9 | Low | 54.2 | Low | 100 Ų | 100 | 111.7 Ų | 111.7 | 61% | 0.613 | 54% | 0.544 | S | S | * | . | trans | -61.2 | 137.5 | 175.6 | 46.1 | 0 | 0 | 0 | 0 | 109.8 | W518 H798 E802 | W518-T800 WeakPolarHBondContact CH2-O 3.34Å; H798-T800 PolarHBondContact O-N 3.47Å; T800-E802 PolarHBondContact O-N 3.17Å | ||
| 801 | E | 54 | Low | 54.5 | Low | 180 Ų | 180 | 113 Ų | 113 | 84% | 0.841 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -54.1 | -18 | 178.4 | -83.2 | 177.2 | 155.2 | 0 | 0 | 114.2 | I803 | E801-I803 PolarHBondContact O-N 3.26Š|
| 802 | E | 55.4 | Low | 54.3 | Low | 166 Ų | 166 | 120.6 Ų | 120.6 | 78% | 0.776 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -66.3 | 104.6 | 177.1 | -67.7 | -174.4 | -178.8 | 0 | 0 | 111.7 | T800 | T800-E802 PolarHBondContact O-N 3.17Š|
| 803 | I | 55.8 | Low | 53.9 | Low | 93 Ų | 93 | 118.8 Ų | 118.8 | 48% | 0.477 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 123.2 | 175.3 | -56.2 | 168.5 | 0 | 0 | 0 | 108.7 | A521 E801 | A521-I803 HydrophobicContact CB-CG2 3.37Å; E801-I803 PolarHBondContact O-N 3.26Å |
| 804 | P | 56.1 | Low | 53.9 | Low | 35 Ų | 35 | 114 Ų | 114 | 23% | 0.227 | 56% | 0.558 | C | S | . | * | P | Polyproline II helix | trans | -63.4 | 145.4 | 178.9 | 25.4 | -32.9 | 0 | 0 | 0 | 111 | ||
| 805 | K | 55.4 | Low | 53.7 | Low | 191 Ų | 191 | 109.9 Ų | 109.9 | 83% | 0.83 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 130.5 | 173.6 | -67.9 | -179.1 | -179.4 | 177.8 | 0 | 109.3 | K807 | K805-K807 PolarHBondContact O-N 3.48Š|
| 806 | P | 55.4 | Low | 53.3 | Low | 70 Ų | 70 | 106.5 Ų | 106.5 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 126.4 | -175.8 | 22.1 | -31.8 | 0 | 0 | 0 | 109.7 | A521 L808 | A521-P806 HydrophobicContact CB-CB 4.17Å; A521-P806 HydrophobicContact CB-CG 4.45Å; P806-L808 PolarHBondContact O-N 2.86Å |
| 807 | K | 54.9 | Low | 52.8 | Low | 176 Ų | 176 | 112.6 Ų | 112.6 | 77% | 0.765 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -68.4 | -16.5 | 176.7 | -72.3 | -177.5 | 179 | 175.6 | 0 | 112.7 | K805 | K805-K807 PolarHBondContact O-N 3.48Š|
| 808 | L | 50.6 | Low | 52.2 | Low | 96 Ų | 96 | 116.6 Ų | 116.6 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -128.9 | 118.3 | -179.4 | -157 | 76.8 | 0 | 0 | 0 | 109.1 | P806 L810 | P806-L808 PolarHBondContact O-N 2.86Å; L808-L810 VanDerWaalsContact C-N 3.35Å; L808-L810 HydrophobicContact CD2-CD1 4.27Å; L808-L810 HydrophobicContact CD2-CD2 4.34Å; L808-L810 HydrophobicContact CD2-CG 4.16Å; L808-L810 PolarHBondContact O-N 3.23Å |
| 809 | D | 52.2 | Low | 51.6 | Low | 132 Ų | 132 | 114.3 Ų | 114.3 | 71% | 0.706 | 58% | 0.577 | S | S | * | * | trans | -72.7 | 88.1 | 177 | -172.5 | 3.5 | 0 | 0 | 0 | 110.2 | S811 | D809-S811 PolarHBondContact O-N 3.37Å; D809-S811 WeakPolarHBondContact OD1-CB 3.42Å; D809-S811 PolarHBondContact OD1-N 3.08Å; D809-S811 PolarHBondContact OD1-OG 3.4Å | ||
| 810 | L | 52 | Low | 51 | Low | 52 Ų | 52 | 119.6 Ų | 119.6 | 27% | 0.272 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -85.3 | 8.4 | 177.9 | -78.9 | 152.9 | 0 | 0 | 0 | 113.2 | L520 L808 R812 N813 L816 | L520-L810 HydrophobicContact CD2-CD1 3.37Å; L808-L810 VanDerWaalsContact C-N 3.35Å; L808-L810 HydrophobicContact CD2-CD1 4.27Å; L808-L810 HydrophobicContact CD2-CD2 4.34Å; L808-L810 HydrophobicContact CD2-CG 4.16Å; L808-L810 PolarHBondContact O-N 3.23Å; L810-R812 PolarHBondContact O-N 2.97Å; L810-N813 PolarHBondContact O-N 3.45Å; L810-L816 HydrophobicContact CB-CD2 4.26Å; L810-L816 HydrophobicContact CD1-CD2 4.37Å; L810-L816 HydrophobicContact CD2-CD1 4.34Å |
| 811 | S | 53.5 | Low | 50.1 | Low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -57.7 | -22.9 | 179.5 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | D809 | D809-S811 PolarHBondContact O-N 3.37Å; D809-S811 WeakPolarHBondContact OD1-CB 3.42Å; D809-S811 PolarHBondContact OD1-N 3.08Å; D809-S811 PolarHBondContact OD1-OG 3.4Å |
| 812 | R | 49.7 | Very low | 49.4 | Very low | 236 Ų | 236 | 119.8 Ų | 119.8 | 89% | 0.891 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -82.8 | -9.6 | -176.2 | -108.5 | -179.4 | -179.5 | -179.5 | 0.6 | 116.3 | L810 P814 | L810-R812 PolarHBondContact O-N 2.97Å; R812-P814 WeakPolarHBondContact O-CD 3.23Å |
| 813 | N | 45.3 | Very low | 48.6 | Very low | 89 Ų | 89 | 115 Ų | 115 | 48% | 0.476 | 59% | 0.592 | S | S | . | * | trans | -107.9 | 104.4 | -175.9 | -142.1 | -19 | 0 | 0 | 0 | 111.9 | L810 T815 L816 | L810-N813 PolarHBondContact O-N 3.45Å; N813-T815 PolarHBondContact O-N 2.85Å; N813-T815 VanDerWaalsContact O-N 3.11Å; N813-T815 PolarHBondContact OD1-OG1 3.11Å; N813-L816 PolarHBondContact O-N 3.07Å; N813-L816 VanDerWaalsContact O-N 3.14Å | ||
| 814 | P | 52.2 | Low | 47.6 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 67% | 0.669 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -18.1 | -174.3 | 23.9 | -32.6 | 0 | 0 | 0 | 113.8 | R812 L816 K817 | R812-P814 WeakPolarHBondContact O-CD 3.23Å; P814-L816 PolarHBondContact O-N 3.1Å; P814-K817 PolarHBondContact O-N 2.71Å |
| 815 | T | 50.4 | Low | 46.4 | Very low | 86 Ų | 86 | 127.7 Ų | 127.7 | 53% | 0.528 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.7 | -27.1 | 175 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | N813 K817 Q818 | N813-T815 PolarHBondContact O-N 2.85Å; N813-T815 VanDerWaalsContact O-N 3.11Å; N813-T815 PolarHBondContact OD1-OG1 3.11Å; T815-K817 VanDerWaalsContact C-N 3.32Å; T815-K817 PolarHBondContact O-N 3.31Å; T815-Q818 PolarHBondContact O-N 2.94Å |
| 816 | L | 48.6 | Very low | 45.4 | Very low | 57 Ų | 57 | 130.3 Ų | 130.3 | 30% | 0.298 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72.4 | -23.8 | 178.6 | -124.1 | 92.2 | 0 | 0 | 0 | 113.2 | L810 N813 P814 Q818 L819 | L810-L816 HydrophobicContact CB-CD2 4.26Å; L810-L816 HydrophobicContact CD1-CD2 4.37Å; L810-L816 HydrophobicContact CD2-CD1 4.34Å; N813-L816 PolarHBondContact O-N 3.07Å; N813-L816 VanDerWaalsContact O-N 3.14Å; P814-L816 PolarHBondContact O-N 3.1Å; L816-Q818 PolarHBondContact O-N 3.41Å; L816-L819 HydrophobicContact CD1-CD1 4.45Å; L816-L819 HydrophobicContact CG-CD1 4.27Å; L816-L819 PolarHBondContact O-N 3.46Å |
| 817 | K | 44 | Very low | 44.4 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 72% | 0.717 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -64.7 | -27.2 | 174.2 | -105.5 | -177.7 | 179.8 | 178.7 | 0 | 112 | P814 T815 K820 | P814-K817 PolarHBondContact O-N 2.71Å; T815-K817 VanDerWaalsContact C-N 3.32Å; T815-K817 PolarHBondContact O-N 3.31Å; K817-K820 WeakPolarHBondContact O-CB 3.34Å; K817-K820 PolarHBondContact O-N 3.47Å |
| 818 | Q | 44.7 | Very low | 43.3 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 72% | 0.72 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.8 | -27.2 | 175.8 | -70.1 | -172.5 | -12 | 0 | 0 | 112.7 | T815 L816 K820 Y821 | T815-Q818 PolarHBondContact O-N 2.94Å; L816-Q818 PolarHBondContact O-N 3.41Å; Q818-K820 PolarHBondContact O-N 3.18Å; Q818-Y821 PolarHBondContact O-N 2.9Å |
| 819 | L | 44.5 | Very low | 42.3 | Very low | 103 Ų | 103 | 127 Ų | 127 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -66.7 | -22.9 | 172.4 | -78.7 | 164 | 0 | 0 | 0 | 112.6 | L816 Y821 A822 | L816-L819 HydrophobicContact CD1-CD1 4.45Å; L816-L819 HydrophobicContact CG-CD1 4.27Å; L816-L819 PolarHBondContact O-N 3.46Å; L819-Y821 PolarHBondContact O-N 3.05Å; L819-Y821 VanDerWaalsContact O-N 3.16Å; L819-A822 PolarHBondContact O-N 3.21Å |
| 820 | K | 41.8 | Very low | 41.5 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 56% | 0.557 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -22.1 | 174.8 | -154.3 | 175.5 | -175.1 | -175.2 | 0 | 112.9 | P523 K817 Q818 | P523-K820 HydrophobicContact CB-CD 4.42Å; P523-K820 HydrophobicContact CB-CG 4.22Å; P523-K820 HydrophobicContact CG-CD 4.06Å; P523-K820 HydrophobicContact CG-CG 3.87Å; K817-K820 WeakPolarHBondContact O-CB 3.34Å; K817-K820 PolarHBondContact O-N 3.47Å; Q818-K820 PolarHBondContact O-N 3.18Å |
| 821 | Y | 36 | Very low | 40.5 | Very low | 210 Ų | 210 | 132 Ų | 132 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -12 | -179.7 | -79.8 | -82.6 | 0 | 0 | 0 | 114.7 | Q818 L819 | Q818-Y821 PolarHBondContact O-N 2.9Å; L819-Y821 PolarHBondContact O-N 3.05Å; L819-Y821 VanDerWaalsContact O-N 3.16Å |
| 822 | A | 38.7 | Very low | 39.5 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 61% | 0.612 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -17.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | L819 | L819-A822 PolarHBondContact O-N 3.21Š|
| 823 | G | 38.3 | Very low | 38.9 | Very low | 66 Ų | 66 | 125.9 Ų | 125.9 | 68% | 0.68 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -96 | -19.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 824 | H | 36 | Very low | 38.7 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -103.3 | 8 | -160.1 | -112.4 | 42.9 | 0 | 0 | 0 | 117.4 | ||
| 825 | R | 31 | Very low | 38 | Very low | 231 Ų | 231 | 127 Ų | 127 | 87% | 0.872 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -138.5 | 22.2 | -170.3 | -99.7 | -167.4 | -174.7 | -170.5 | 2.4 | 120 | ||
| 826 | R | 33.7 | Very low | 37.3 | Very low | 247 Ų | 247 | 130.3 Ų | 130.3 | 93% | 0.932 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -127.6 | -3 | 179 | -74.4 | -168.6 | -179.3 | 178.7 | 0.5 | 120 | ||
| 827 | A | 34.9 | Very low | 36.7 | Very low | 86 Ų | 86 | 133 Ų | 133 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -92 | -10.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 828 | S | 32 | Very low | 36.4 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | trans | -132.7 | 20.8 | -173.3 | 46.4 | 0 | 0 | 0 | 0 | 115.3 | A830 F831 | S828-A830 PolarHBondContact O-N 3.14Å; S828-F831 WeakPolarHBondContact O-CB 3.46Å; S828-F831 PolarHBondContact O-N 3.02Å | ||
| 829 | A | 28.8 | Very low | 36 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 22.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 830 | A | 36 | Very low | 35.6 | Very low | 103 Ų | 103 | 133 Ų | 133 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -1.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S828 D832 | S828-A830 PolarHBondContact O-N 3.14Å; A830-D832 PolarHBondContact O-N 3.46Å; A830-D832 VanDerWaalsContact O-N 3.15Å |
| 831 | F | 30.5 | Very low | 35.1 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -81.4 | 94.1 | 170.3 | -115.1 | -89.9 | 0 | 0 | 0 | 109.5 | S828 | S828-F831 WeakPolarHBondContact O-CB 3.46Å; S828-F831 PolarHBondContact O-N 3.02Å |
| 832 | D | 32.4 | Very low | 35 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 56% | 0.556 | 76% | 0.757 | S | S | * | * | trans | 46.4 | 88 | 147.2 | -137 | -22.5 | 0 | 0 | 0 | 116 | A830 T834 V835 | A830-D832 PolarHBondContact O-N 3.46Å; A830-D832 VanDerWaalsContact O-N 3.15Å; D832-T834 PolarHBondContact O-N 2.76Å; D832-T834 PolarHBondContact OD1-OG1 2.91Å; D832-V835 PolarHBondContact O-N 2.91Å | ||
| 833 | A | 37.1 | Very low | 34.8 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 13.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 834 | T | 41.6 | Very low | 34.7 | Very low | 110 Ų | 110 | 139 Ų | 139 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -8.1 | 177.8 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | D832 I836 | D832-T834 PolarHBondContact O-N 2.76Å; D832-T834 PolarHBondContact OD1-OG1 2.91Å; T834-I836 PolarHBondContact O-N 3.39Å |
| 835 | V | 37.9 | Very low | 34.6 | Very low | 106 Ų | 106 | 139 Ų | 139 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | trans | -103.7 | 55.1 | 176.7 | -162.1 | 0 | 0 | 0 | 0 | 111.3 | D832 T837 | D832-V835 PolarHBondContact O-N 2.91Å; V835-T837 VanDerWaalsContact C-N 3.3Å; V835-T837 HydrophobicContact CG1-CG2 4.14Å | ||
| 836 | I | 35.1 | Very low | 34.9 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 80% | 0.795 | 78% | 0.778 | S | S | * | * | trans | -93.7 | 79.6 | 149.6 | -56.5 | 176.3 | 0 | 0 | 0 | 104.9 | T834 A838 | T834-I836 PolarHBondContact O-N 3.39Å; I836-A838 PolarHBondContact O-N 3.39Å; I836-A838 VanDerWaalsContact O-N 3.13Å | ||
| 837 | T | 36.6 | Very low | 35 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | trans | -61.8 | 116.4 | 165.3 | 45.3 | 0 | 0 | 0 | 0 | 106.7 | V835 E839 | V835-T837 VanDerWaalsContact C-N 3.3Å; V835-T837 HydrophobicContact CG1-CG2 4.14Å; T837-E839 PolarHBondContact O-N 3.45Å | ||
| 838 | A | 37.8 | Very low | 35 | Very low | 89 Ų | 89 | 139.5 Ų | 139.5 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -45.3 | 99.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I836 N840 | I836-A838 PolarHBondContact O-N 3.39Å; I836-A838 VanDerWaalsContact O-N 3.13Å; A838-N840 PolarHBondContact O-N 3.18Å; A838-N840 VanDerWaalsContact O-N 3.08Å | ||
| 839 | E | 36.3 | Very low | 35.1 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -72.6 | 107 | 175.1 | -152.8 | 162.5 | -159.9 | 0 | 0 | 105.3 | T837 Q841 | T837-E839 PolarHBondContact O-N 3.45Å; E839-Q841 PolarHBondContact O-N 3.06Å; E839-Q841 VanDerWaalsContact O-N 3.16Å | ||
| 840 | N | 34.9 | Very low | 35.5 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -37.7 | 116.2 | -173.4 | -75.7 | -38.4 | 0 | 0 | 0 | 112.1 | A838 T842 | A838-N840 PolarHBondContact O-N 3.18Å; A838-N840 VanDerWaalsContact O-N 3.08Å; N840-T842 PolarHBondContact O-N 3.44Å | ||
| 841 | Q | 31.5 | Very low | 35.4 | Very low | 194 Ų | 194 | 147 Ų | 147 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | -61.4 | 86.4 | 158.8 | -71.8 | -179.6 | -35 | 0 | 0 | 108.5 | E839 E843 | E839-Q841 PolarHBondContact O-N 3.06Å; E839-Q841 VanDerWaalsContact O-N 3.16Å; Q841-E843 VanDerWaalsContact C-N 3.35Å | ||
| 842 | T | 34.3 | Very low | 35.7 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -102.1 | 62.4 | 157 | 51.1 | 0 | 0 | 0 | 0 | 108.2 | N840 S844 | N840-T842 PolarHBondContact O-N 3.44Å; T842-S844 VanDerWaalsContact C-N 3.33Å | ||
| 843 | E | 34 | Very low | 36 | Very low | 197 Ų | 197 | 147.3 Ų | 147.3 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -94.8 | 71.6 | 155.3 | -79.6 | -173.9 | 163.1 | 0 | 0 | 107.5 | Q841 | Q841-E843 VanDerWaalsContact C-N 3.35Š| ||
| 844 | S | 37.1 | Very low | 35.9 | Very low | 92 Ų | 92 | 150.6 Ų | 150.6 | 64% | 0.643 | 82% | 0.815 | S | S | * | * | trans | -144.9 | 85.5 | 163.6 | 67.4 | 0 | 0 | 0 | 0 | 106.8 | T842 | T842-S844 VanDerWaalsContact C-N 3.33Š| ||
| 845 | N | 33.9 | Very low | 35.4 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | trans | 169.4 | 52.4 | 154.5 | -81.3 | -15.9 | 0 | 0 | 0 | 110.3 | ||||
| 846 | L | 37.1 | Very low | 35.2 | Very low | 177 Ų | 177 | 157.7 Ų | 157.7 | 93% | 0.927 | 84% | 0.841 | S | S | * | * | trans | -122.1 | 75.1 | 154.4 | -142.3 | 90.1 | 0 | 0 | 0 | 106.4 | ||||
| 847 | E | 34.1 | Very low | 35.2 | Very low | 258 Ų | 258 | 157.9 Ų | 157.9 | 100% | 1.206 | 85% | 0.845 | S | S | * | * | trans | -61.5 | 0 | 140.7 | -73.4 | -175.7 | 160.7 | 0 | 0 | 108 |
Retrieved 847 of 847 residues in 2917.6 ms
(Link to these results)