| 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 | L | 42.1 | Very low | 36.3 | Very low | 223 Ų | 223 | 146.5 Ų | 146.5 | 100% | 1.168 | 85% | 0.849 | S | S | * | * | 0 | 113.5 | 0 | -78.8 | 161.4 | 0 | 0 | 0 | 108.4 | |||||
| 2 | P | 31.4 | Very low | 38.3 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | -120.8 | 143.2 | 134.7 | 19.7 | -2.3 | 0 | 0 | 0 | 110.1 | ||||
| 3 | V | 30.9 | Very low | 41.7 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 79% | 0.788 | 83% | 0.826 | S | S | * | * | trans | -70.7 | 125.6 | -168.8 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | M5 | V3-M5 PolarHBondContact O-N 3.03Š| ||
| 4 | A | 32.8 | Very low | 45.4 | Very low | 92 Ų | 92 | 134.4 Ų | 134.4 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -66.7 | 113.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | K6 | A4-K6 PolarHBondContact O-N 2.89Š| ||
| 5 | M | 31 | Very low | 48.7 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | trans | -72.3 | 115.4 | 161.6 | -67.9 | -145.7 | -63 | 0 | 0 | 107.4 | V3 E7 | V3-M5 PolarHBondContact O-N 3.03Å; M5-E7 PolarHBondContact O-N 3.2Å | ||
| 6 | K | 32.6 | Very low | 51.7 | Low | 196 Ų | 196 | 129 Ų | 129 | 85% | 0.852 | 74% | 0.743 | S | S | * | * | trans | -57.4 | 117.3 | 168.1 | -81 | 175.1 | 170.1 | 178.9 | 0 | 108.1 | A4 E8 | A4-K6 PolarHBondContact O-N 2.89Å; K6-E8 PolarHBondContact O-N 2.89Å; K6-E8 VanDerWaalsContact O-N 3.1Å | ||
| 7 | E | 33.8 | Very low | 54.3 | Low | 189 Ų | 189 | 121.6 Ų | 121.6 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | trans | -61.2 | 104.7 | 154.8 | -77 | 178.1 | 146.4 | 0 | 0 | 107.3 | M5 C9 | M5-E7 PolarHBondContact O-N 3.2Å; E7-C9 PolarHBondContact O-N 3.24Å | ||
| 8 | E | 36.3 | Very low | 56.5 | Low | 184 Ų | 184 | 123.2 Ų | 123.2 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | trans | -70.3 | 113.4 | 158 | -82.3 | -176.8 | 159.4 | 0 | 0 | 107.5 | K6 A10 | K6-E8 PolarHBondContact O-N 2.89Å; K6-E8 VanDerWaalsContact O-N 3.1Å; E8-A10 VanDerWaalsContact C-N 3.34Å; E8-A10 PolarHBondContact O-N 3.44Å | ||
| 9 | C | 37.9 | Very low | 58.5 | Low | 135 Ų | 135 | 123.9 Ų | 123.9 | 91% | 0.912 | 71% | 0.707 | S | S | * | * | trans | -56.3 | 90 | 170.7 | -78.1 | 0 | 0 | 0 | 0 | 111.1 | E7 G11 | E7-C9 PolarHBondContact O-N 3.24Å; C9-G11 PolarHBondContact O-N 3.12Å | ||
| 10 | A | 41 | Very low | 60.4 | Low | 96 Ų | 96 | 118 Ų | 118 | 79% | 0.793 | 67% | 0.673 | S | S | * | * | trans | -77.3 | 110.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | E8 | E8-A10 VanDerWaalsContact C-N 3.34Å; E8-A10 PolarHBondContact O-N 3.44Å | ||
| 11 | G | 48.9 | Very low | 62.1 | Low | 57 Ų | 57 | 114.4 Ų | 114.4 | 59% | 0.588 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 163.5 | 164 | 0 | 0 | 0 | 0 | 0 | 110.8 | C9 S13 | C9-G11 PolarHBondContact O-N 3.12Å; G11-S13 PolarHBondContact O-N 3.48Å |
| 12 | P | 60.3 | Low | 64.6 | Low | 99 Ų | 99 | 107.2 Ų | 107.2 | 64% | 0.643 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 117.7 | 179.1 | 24.5 | -31.9 | 0 | 0 | 0 | 109.9 | ||
| 13 | S | 82.8 | Confident | 67.4 | Low | 108 Ų | 108 | 104.2 Ų | 104.2 | 76% | 0.755 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 140.6 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 110.9 | G11 | G11-S13 PolarHBondContact O-N 3.48Š|
| 14 | L | 93.7 | Very high | 70.3 | Confident | 63 Ų | 63 | 101.9 Ų | 101.9 | 33% | 0.33 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 150.8 | 174.4 | -63.9 | 178.4 | 0 | 0 | 0 | 110.3 | Y106 | L14-Y106 HydrophobicContact CD1-CE1 4.22Å; L14-Y106 HydrophobicContact CD2-CD1 4Å; L14-Y106 HydrophobicContact CD2-CE1 3.51Å |
| 15 | F | 95.3 | Very high | 73.1 | Confident | 71 Ų | 71 | 101 Ų | 101 | 31% | 0.311 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 138 | 178.8 | 178.7 | -111 | 0 | 0 | 0 | 111 | D17 R46 R107 T124 D126 | F15-D17 HydrophobicContact CE1-CB 4.05Å; F15-D17 HydrophobicContact CZ-CB 4.4Å; F15-R46 PolarHBondContact O-NH1 3.1Å; F15-R46 PolarHBondContact O-NH2 3.13Å; F15-R107 WeakPolarHBondContact CB-O 3.23Å; F15-R107 PolarHBondContact N-O 2.91Å; F15-T124 HydrophobicContact CE1-CG2 3.93Å; F15-T124 HydrophobicContact CZ-CG2 4.08Å; F15-D126 HydrophobicContact CD1-CB 3.64Å; F15-D126 HydrophobicContact CE1-CB 4.14Å; F15-D126 WeakPolarHBondContact O-CB 3.33Å |
| 16 | E | 96.1 | Very high | 76.2 | Confident | 111 Ų | 111 | 92.6 Ų | 92.6 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | trans | -125.7 | 124 | 174.5 | -61.6 | -167.4 | -178.1 | 0 | 0 | 108.5 | L18 R128 | E16-L18 PolarHBondContact O-N 3.33Å; E16-R128 IonicContact OE1-NH1 2.74Å; E16-R128 IonicContact OE2-NH1 3.78Å | ||
| 17 | D | 96.2 | Very high | 79.1 | Confident | 4 Ų | 4 | 83.3 Ų | 83.3 | 2% | 0.021 | 49% | 0.485 | C | S | . | . | trans | -82.9 | 103.6 | -178.8 | -166.8 | -10.5 | 0 | 0 | 0 | 110.8 | F15 D19 F20 V125 D126 K158 | F15-D17 HydrophobicContact CE1-CB 4.05Å; F15-D17 HydrophobicContact CZ-CB 4.4Å; D17-D19 VanDerWaalsContact C-N 3.32Å; D17-D19 PolarHBondContact OD1-N 2.82Å; D17-D19 VanDerWaalsContact OD1-N 3.16Å; D17-F20 CarbonylContact O-C 3.56Å; D17-F20 PolarHBondContact OD1-N 2.84Å; D17-V125 WeakPolarHBondContact OD2-CA 3.3Å; D17-D126 HydrophobicContact CB-CB 4.29Å; D17-D126 VanDerWaalsContact CB-OD2 3.26Å; D17-D126 WeakPolarHBondContact CB-OD2 3.3Å; D17-D126 PolarHBondContact N-OD2 3.49Å; D17-K158 IonicContact OD1-NZ 3.05Å; D17-K158 PolarHBondContact OD1-NZ 2.86Å; D17-K158 WeakPolarHBondContact OD2-CD 3.39Å; D17-K158 IonicContact OD2-NZ 2.77Å; D17-K158 PolarHBondContact OD2-NZ 3.18Å | ||
| 18 | L | 94.5 | Very high | 81.9 | Confident | 150 Ų | 150 | 74.8 Ų | 74.8 | 79% | 0.785 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -73.9 | -24.3 | 179 | -60.3 | 179.7 | 0 | 0 | 0 | 112.7 | E16 F20 | E16-L18 PolarHBondContact O-N 3.33Å; L18-F20 VanDerWaalsContact C-N 3.32Å |
| 19 | D | 94.1 | Very high | 84.2 | Confident | 137 Ų | 137 | 68.4 Ų | 68.4 | 73% | 0.733 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -82.7 | -15.2 | 178.9 | -61.9 | -36.2 | 0 | 0 | 0 | 112.1 | D17 | D17-D19 VanDerWaalsContact C-N 3.32Å; D17-D19 PolarHBondContact OD1-N 2.82Å; D17-D19 VanDerWaalsContact OD1-N 3.16Å |
| 20 | F | 97.1 | Very high | 86.4 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.018 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -139.9 | 71.6 | 176.1 | -159.3 | -107.2 | 0 | 0 | 0 | 110.2 | D17 L18 S26 W44 K154 A157 K158 Y163 | D17-F20 CarbonylContact O-C 3.56Å; D17-F20 PolarHBondContact OD1-N 2.84Å; L18-F20 VanDerWaalsContact C-N 3.32Å; F20-S26 VanDerWaalsContact CD2-OG 3.28Å; F20-S26 WeakPolarHBondContact CD2-OG 3.21Å; F20-S26 WeakPolarHBondContact CE2-OG 3.29Å; F20-S26 WeakPolarHBondContact CG-OG 3.32Å; F20-S26 VanDerWaalsContact CZ-O 3.29Å; F20-S26 WeakPolarHBondContact CZ-O 3.37Å; F20-W44 HydrophobicContact CE1-CH2 4.21Å; F20-K154 HydrophobicContact CD1-CG 4.3Å; F20-K154 HydrophobicContact CE1-CG 4.05Å; F20-A157 HydrophobicContact CZ-CB 4.02Å; F20-K158 HydrophobicContact CB-CB 4.15Å; F20-K158 HydrophobicContact CB-CD 3.71Å; F20-K158 HydrophobicContact CB-CG 3.83Å; F20-K158 HydrophobicContact CD1-CB 4.24Å; F20-K158 HydrophobicContact CD2-CB 3.7Å; F20-K158 HydrophobicContact CD2-CG 3.95Å; F20-K158 VanDerWaalsContact CE2-CA 3.49Å; F20-K158 HydrophobicContact CE2-CB 4.09Å; F20-K158 HydrophobicContact CG-CB 3.77Å; F20-K158 HydrophobicContact CG-CD 4.28Å; F20-K158 HydrophobicContact CG-CG 3.97Å; F20-K158 HydrophobicContact CZ-CB 4.49Å; F20-Y163 HydrophobicContact CE1-CD2 4.35Å; F20-Y163 HydrophobicContact CE1-CE2 4.02Å; F20-Y163 HydrophobicContact CZ-CD2 4.16Å; F20-Y163 HydrophobicContact CZ-CE2 4.27Å |
| 21 | P | 95.1 | Very high | 88.4 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 29% | 0.286 | 38% | 0.378 | S | S | . | . | trans | -66.9 | 161 | -171.8 | 28.1 | -36 | 0 | 0 | 0 | 112.6 | T23 S26 | P21-T23 HydrophobicContact CB-CG2 4.39Å; P21-T23 WeakPolarHBondContact CG-OG1 3.25Å; P21-T23 PolarHBondContact O-N 2.6Å; P21-S26 WeakPolarHBondContact O-CB 3.49Å; P21-S26 PolarHBondContact O-OG 2.87Å | ||
| 22 | I | 94.1 | Very high | 89.9 | Confident | 72 Ų | 72 | 64.8 Ų | 64.8 | 37% | 0.369 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -78 | 41.3 | 177.9 | 57.8 | 165.9 | 0 | 0 | 0 | 113.2 | W44 R128 | I22-W44 HydrophobicContact CB-CB 4.02Å; I22-W44 HydrophobicContact CB-CD2 3.76Å; I22-W44 HydrophobicContact CB-CE3 4.39Å; I22-W44 HydrophobicContact CB-CG 3.58Å; I22-W44 HydrophobicContact CG2-CB 3.9Å; I22-W44 HydrophobicContact CG2-CD2 3.63Å; I22-W44 HydrophobicContact CG2-CE3 3.77Å; I22-W44 HydrophobicContact CG2-CG 3.72Å; I22-W44 HydrophobicContact CG2-CZ3 4.44Å; I22-W44 PolarHBondContact O-NE1 3.43Å; I22-R128 HydrophobicContact CG2-CB 4.08Å |
| 23 | T | 91.6 | Very high | 91 | Very high | 67 Ų | 67 | 60.8 Ų | 60.8 | 41% | 0.411 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -116 | 167.7 | -176.4 | 52.3 | 0 | 0 | 0 | 0 | 111 | P21 S25 S26 | P21-T23 HydrophobicContact CB-CG2 4.39Å; P21-T23 WeakPolarHBondContact CG-OG1 3.25Å; P21-T23 PolarHBondContact O-N 2.6Å; T23-S25 PolarHBondContact O-N 2.95Å; T23-S25 VanDerWaalsContact O-N 3.08Å; T23-S25 PolarHBondContact OG1-OG 3.13Å; T23-S26 PolarHBondContact O-N 2.78Å |
| 24 | D | 91.1 | Very high | 91.1 | Very high | 82 Ų | 82 | 59.2 Ų | 59.2 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -54.6 | -29.1 | 178.5 | -73.7 | -8.4 | 0 | 0 | 0 | 113.1 | S26 L27 F28 H39 | D24-S26 PolarHBondContact O-N 2.89Å; D24-L27 PolarHBondContact O-N 3.44Å; D24-F28 HydrophobicContact CB-CD2 3.93Å; D24-F28 HydrophobicContact CB-CE2 4.42Å; D24-F28 PolarHBondContact O-N 2.76Å; D24-H39 IonicContact OD2-CD2 2.83Å |
| 25 | S | 91.9 | Very high | 90.7 | Very high | 72 Ų | 72 | 56.4 Ų | 56.4 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.7 | -24.6 | 175.2 | 58.7 | 0 | 0 | 0 | 0 | 114.8 | T23 | T23-S25 PolarHBondContact O-N 2.95Å; T23-S25 VanDerWaalsContact O-N 3.08Å; T23-S25 PolarHBondContact OG1-OG 3.13Å |
| 26 | S | 95.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -88.8 | -18.7 | 176.3 | -80 | 0 | 0 | 0 | 0 | 112.5 | F20 P21 T23 D24 S162 Y163 | F20-S26 VanDerWaalsContact CD2-OG 3.28Å; F20-S26 WeakPolarHBondContact CD2-OG 3.21Å; F20-S26 WeakPolarHBondContact CE2-OG 3.29Å; F20-S26 WeakPolarHBondContact CG-OG 3.32Å; F20-S26 VanDerWaalsContact CZ-O 3.29Å; F20-S26 WeakPolarHBondContact CZ-O 3.37Å; P21-S26 WeakPolarHBondContact O-CB 3.49Å; P21-S26 PolarHBondContact O-OG 2.87Å; T23-S26 PolarHBondContact O-N 2.78Å; D24-S26 PolarHBondContact O-N 2.89Å; S26-S162 CarbonylContact O-C 3.52Å; S26-S162 VanDerWaalsContact O-CA 3.28Å; S26-S162 WeakPolarHBondContact O-CA 3.31Å; S26-S162 WeakPolarHBondContact O-CB 3.27Å; S26-Y163 WeakPolarHBondContact O-CD2 3.19Å; S26-Y163 PolarHBondContact O-N 3.37Å |
| 27 | L | 93.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -91.5 | -48.3 | 176.4 | -64.2 | 170.1 | 0 | 0 | 0 | 111 | D24 I42 W44 P130 F138 Y163 E164 | D24-L27 PolarHBondContact O-N 3.44Å; L27-I42 HydrophobicContact CD1-CB 4Å; L27-I42 HydrophobicContact CD1-CD1 3.97Å; L27-I42 HydrophobicContact CD1-CG2 3.76Å; L27-I42 HydrophobicContact CD2-CD1 4.38Å; L27-I42 HydrophobicContact CD2-CG2 4.37Å; L27-W44 HydrophobicContact CD1-CZ2 4.36Å; L27-W44 HydrophobicContact CD2-CH2 4.36Å; L27-W44 HydrophobicContact CD2-CZ2 3.82Å; L27-W44 HydrophobicContact CG-CZ2 3.87Å; L27-P130 HydrophobicContact CD2-CB 4Å; L27-P130 HydrophobicContact CD2-CG 3.69Å; L27-F138 HydrophobicContact CD2-CE2 3.79Å; L27-F138 HydrophobicContact CD2-CZ 4.1Å; L27-Y163 HydrophobicContact CD2-CD2 4.01Å; L27-E164 WeakPolarHBondContact O-CB 3.34Å; L27-E164 PolarHBondContact O-N 3.03Å |
| 28 | F | 91.8 | Very high | 89.1 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 5% | 0.048 | 33% | 0.332 | C | S | . | . | trans | -118 | 154.6 | -168.4 | -46.6 | -63.3 | 0 | 0 | 0 | 110.9 | D24 I35 H39 I42 | D24-F28 HydrophobicContact CB-CD2 3.93Å; D24-F28 HydrophobicContact CB-CE2 4.42Å; D24-F28 PolarHBondContact O-N 2.76Å; F28-I35 HydrophobicContact CD1-CD1 4.23Å; F28-I35 HydrophobicContact CD1-CG1 4.44Å; F28-I35 HydrophobicContact CE1-CD1 4.22Å; F28-I35 HydrophobicContact CE1-CG1 4.35Å; F28-I35 WeakPolarHBondContact CE1-O 3.36Å; F28-H39 AromaticContact CD1-CE1 3.86Å; F28-H39 AromaticContact CD2-CD2 3.6Å; F28-H39 AromaticContact CD2-CE1 3.29Å; F28-H39 WeakPolarHBondContact CD2-CE1 3.22Å; F28-H39 AromaticContact CD2-ND1 3.84Å; F28-H39 AromaticContact CD2-NE2 3.11Å; F28-H39 WeakPolarHBondContact CD2-NE2 3.19Å; F28-H39 AromaticContact CE2-CD2 3.63Å; F28-H39 AromaticContact CE2-CE1 3.69Å; F28-H39 AromaticContact CE2-CG 3.71Å; F28-H39 AromaticContact CE2-ND1 3.74Å; F28-H39 AromaticContact CE2-NE2 3.64Å; F28-H39 AromaticContact CG-CE1 3.37Å; F28-H39 WeakPolarHBondContact CG-CE1 3.38Å; F28-H39 AromaticContact CG-NE2 3.6Å; F28-H39 AromaticContact CZ-ND1 3.93Å; F28-I42 HydrophobicContact CZ-CD1 4.2Å | ||
| 29 | S | 85.9 | Confident | 88.4 | Confident | 50 Ų | 50 | 54.1 Ų | 54.1 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -130.1 | -69.1 | -178.2 | 58.5 | 0 | 0 | 0 | 0 | 112 | E164 | S29-E164 WeakPolarHBondContact CA-OE2 3.34Å; S29-E164 PolarHBondContact N-OE2 3.36Å; S29-E164 PolarHBondContact OG-OE2 3.33Å |
| 30 | D | 82.9 | Confident | 87.8 | Confident | 72 Ų | 72 | 51.1 Ų | 51.1 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -117.1 | 1.8 | 177.1 | 63.9 | 1.2 | 0 | 0 | 0 | 112.4 | S32 E164 R394 | D30-S32 VanDerWaalsContact CG-OG 3.25Å; D30-S32 PolarHBondContact O-N 2.82Å; D30-S32 WeakPolarHBondContact OD1-CB 3.41Å; D30-S32 PolarHBondContact OD1-N 2.89Å; D30-S32 VanDerWaalsContact OD1-N 3.14Å; D30-S32 PolarHBondContact OD1-OG 3.04Å; D30-S32 PolarHBondContact OD2-OG 2.85Å; D30-E164 PolarHBondContact N-OE2 2.96Å; D30-E164 VanDerWaalsContact N-OE2 3.09Å; D30-R394 IonicContact OD1-NH1 3.74Å; D30-R394 IonicContact OD2-CZ 2.87Å; D30-R394 IonicContact OD2-NH1 2.68Å; D30-R394 PolarHBondContact OD2-NH1 3.19Å; D30-R394 IonicContact OD2-NH2 3.4Å |
| 31 | S | 83.1 | Confident | 87.3 | Confident | 61 Ų | 61 | 56.6 Ų | 56.6 | 43% | 0.427 | 34% | 0.34 | S | S | . | . | trans | 56.8 | 28.6 | -179.9 | -58.2 | 0 | 0 | 0 | 0 | 113.1 | T33 E164 | S31-T33 VanDerWaalsContact C-N 3.28Å; S31-E164 WeakPolarHBondContact CA-OE1 3.26Å; S31-E164 PolarHBondContact N-OE1 3.32Å; S31-E164 PolarHBondContact N-OE2 3.23Å | ||
| 32 | S | 80 | Confident | 87.2 | Confident | 79 Ų | 79 | 55.6 Ų | 55.6 | 55% | 0.552 | 33% | 0.332 | S | S | * | . | trans | -83.2 | -3.7 | -178.7 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | D30 E164 | D30-S32 VanDerWaalsContact CG-OG 3.25Å; D30-S32 PolarHBondContact O-N 2.82Å; D30-S32 WeakPolarHBondContact OD1-CB 3.41Å; D30-S32 PolarHBondContact OD1-N 2.89Å; D30-S32 VanDerWaalsContact OD1-N 3.14Å; D30-S32 PolarHBondContact OD1-OG 3.04Å; D30-S32 PolarHBondContact OD2-OG 2.85Å; S32-E164 PolarHBondContact N-OE1 2.97Å; S32-E164 VanDerWaalsContact N-OE1 3.09Å | ||
| 33 | T | 84.5 | Confident | 87.2 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 9% | 0.092 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -115.1 | 160.5 | -173.4 | 69.2 | 0 | 0 | 0 | 0 | 112.3 | S31 I35 A36 E164 W167 | S31-T33 VanDerWaalsContact C-N 3.28Å; T33-I35 PolarHBondContact O-N 3.37Å; T33-I35 VanDerWaalsContact O-N 3.11Å; T33-I35 WeakPolarHBondContact OG1-CG1 3.28Å; T33-A36 VanDerWaalsContact O-CB 3.23Å; T33-A36 WeakPolarHBondContact O-CB 2.88Å; T33-A36 PolarHBondContact O-N 2.99Å; T33-E164 WeakPolarHBondContact CB-OE1 3.4Å; T33-E164 HydrophobicContact CG2-CG 3.64Å; T33-E164 PolarHBondContact N-OE1 3.12Å; T33-E164 VanDerWaalsContact N-OE1 3.12Å; T33-E164 WeakPolarHBondContact OG1-CG 3.43Å; T33-E164 PolarHBondContact OG1-OE1 3.14Å; T33-W167 HydrophobicContact CG2-CB 3.69Å; T33-W167 HydrophobicContact CG2-CD2 3.96Å; T33-W167 HydrophobicContact CG2-CG 3.52Å |
| 34 | P | 84.1 | Confident | 87.5 | Confident | 74 Ų | 74 | 53.9 Ų | 53.9 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -56.9 | -26.3 | 177.5 | -27.4 | 36.3 | 0 | 0 | 0 | 114.6 | A36 Q37 W167 | P34-A36 PolarHBondContact O-N 2.92Å; P34-Q37 PolarHBondContact O-N 3.02Å; P34-W167 HydrophobicContact CB-CH2 4.12Å; P34-W167 VanDerWaalsContact CD-CZ2 3.47Å; P34-W167 HydrophobicContact CG-CH2 3.69Å; P34-W167 HydrophobicContact CG-CZ2 3.74Å; P34-W167 HydrophobicContact CG-CZ3 4.47Å |
| 35 | I | 86.3 | Confident | 87.7 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -66.2 | -19.6 | 178.5 | 63.6 | 154 | 0 | 0 | 0 | 112.4 | F28 T33 Q37 L38 L71 F138 E164 W167 | F28-I35 HydrophobicContact CD1-CD1 4.23Å; F28-I35 HydrophobicContact CD1-CG1 4.44Å; F28-I35 HydrophobicContact CE1-CD1 4.22Å; F28-I35 HydrophobicContact CE1-CG1 4.35Å; F28-I35 WeakPolarHBondContact CE1-O 3.36Å; T33-I35 PolarHBondContact O-N 3.37Å; T33-I35 VanDerWaalsContact O-N 3.11Å; T33-I35 WeakPolarHBondContact OG1-CG1 3.28Å; I35-Q37 PolarHBondContact O-N 3.28Å; I35-Q37 VanDerWaalsContact O-N 3.09Å; I35-L38 HydrophobicContact CB-CD1 4.32Å; I35-L38 VanDerWaalsContact O-CB 3.29Å; I35-L38 WeakPolarHBondContact O-CB 3.37Å; I35-L38 WeakPolarHBondContact O-CG 3.42Å; I35-L38 PolarHBondContact O-N 3.21Å; I35-L71 HydrophobicContact CD1-CD1 4Å; I35-L71 HydrophobicContact CG2-CD1 4.38Å; I35-F138 HydrophobicContact CG2-CE1 4.5Å; I35-E164 HydrophobicContact CD1-CB 3.91Å; I35-E164 HydrophobicContact CD1-CG 4.42Å; I35-W167 HydrophobicContact CG2-CE3 4.24Å; I35-W167 HydrophobicContact CG2-CZ3 3.92Å |
| 36 | A | 84.9 | Confident | 88 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -60 | -19 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T33 P34 L38 H39 | T33-A36 VanDerWaalsContact O-CB 3.23Å; T33-A36 WeakPolarHBondContact O-CB 2.88Å; T33-A36 PolarHBondContact O-N 2.99Å; P34-A36 PolarHBondContact O-N 2.92Å; A36-L38 PolarHBondContact O-N 2.76Å; A36-H39 PolarHBondContact O-ND1 3.26Å |
| 37 | Q | 84.8 | Confident | 88 | Confident | 163 Ų | 163 | 51.3 Ų | 51.3 | 76% | 0.762 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -70.7 | -13.9 | 174.5 | -62.2 | 177.8 | 7.9 | 0 | 0 | 112.9 | P34 I35 H39 | P34-Q37 PolarHBondContact O-N 3.02Å; I35-Q37 PolarHBondContact O-N 3.28Å; I35-Q37 VanDerWaalsContact O-N 3.09Å; Q37-H39 VanDerWaalsContact C-N 3.3Å; Q37-H39 PolarHBondContact O-N 3.22Å |
| 38 | L | 83.9 | Confident | 88.1 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -88.4 | 10.2 | -177.7 | -52.4 | 175.6 | 0 | 0 | 0 | 113.4 | I35 A36 G40 E41 I42 L70 M132 | I35-L38 HydrophobicContact CB-CD1 4.32Å; I35-L38 VanDerWaalsContact O-CB 3.29Å; I35-L38 WeakPolarHBondContact O-CB 3.37Å; I35-L38 WeakPolarHBondContact O-CG 3.42Å; I35-L38 PolarHBondContact O-N 3.21Å; A36-L38 PolarHBondContact O-N 2.76Å; L38-G40 PolarHBondContact O-N 2.8Å; L38-E41 PolarHBondContact O-N 3.11Å; L38-E41 VanDerWaalsContact O-N 3.13Å; L38-I42 HydrophobicContact CB-CD1 3.83Å; L38-I42 HydrophobicContact CB-CG1 4.14Å; L38-I42 HydrophobicContact CD1-CD1 4.22Å; L38-L70 HydrophobicContact CD1-CD1 3.82Å; L38-M132 HydrophobicContact CD1-CE 4.43Å; L38-M132 HydrophobicContact CD2-CE 4.21Å; L38-M132 HydrophobicContact CD2-SD 4.01Å |
| 39 | H | 80.7 | Confident | 88.2 | Confident | 81 Ų | 81 | 60 Ų | 60 | 38% | 0.375 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 127.7 | 178.9 | -88 | 87 | 0 | 0 | 0 | 111 | D24 F28 A36 Q37 E41 | D24-H39 IonicContact OD2-CD2 2.83Å; F28-H39 AromaticContact CD1-CE1 3.86Å; F28-H39 AromaticContact CD2-CD2 3.6Å; F28-H39 AromaticContact CD2-CE1 3.29Å; F28-H39 WeakPolarHBondContact CD2-CE1 3.22Å; F28-H39 AromaticContact CD2-ND1 3.84Å; F28-H39 AromaticContact CD2-NE2 3.11Å; F28-H39 WeakPolarHBondContact CD2-NE2 3.19Å; F28-H39 AromaticContact CE2-CD2 3.63Å; F28-H39 AromaticContact CE2-CE1 3.69Å; F28-H39 AromaticContact CE2-CG 3.71Å; F28-H39 AromaticContact CE2-ND1 3.74Å; F28-H39 AromaticContact CE2-NE2 3.64Å; F28-H39 AromaticContact CG-CE1 3.37Å; F28-H39 WeakPolarHBondContact CG-CE1 3.38Å; F28-H39 AromaticContact CG-NE2 3.6Å; F28-H39 AromaticContact CZ-ND1 3.93Å; A36-H39 PolarHBondContact O-ND1 3.26Å; Q37-H39 VanDerWaalsContact C-N 3.3Å; Q37-H39 PolarHBondContact O-N 3.22Å; H39-E41 PolarHBondContact O-N 3.15Å |
| 40 | G | 81.1 | Confident | 88.7 | Confident | 75 Ų | 75 | 59.5 Ų | 59.5 | 77% | 0.773 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -7.6 | -180 | 0 | 0 | 0 | 0 | 0 | 115.7 | L38 | L38-G40 PolarHBondContact O-N 2.8Š|
| 41 | E | 86.4 | Confident | 89.2 | Confident | 119 Ų | 119 | 57.6 Ų | 57.6 | 56% | 0.556 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -22.1 | 176.8 | -60.9 | -172.6 | -176 | 0 | 0 | 112.7 | L38 H39 M132 | L38-E41 PolarHBondContact O-N 3.11Å; L38-E41 VanDerWaalsContact O-N 3.13Å; H39-E41 PolarHBondContact O-N 3.15Å; E41-M132 HydrophobicContact CB-CG 4.49Å; E41-M132 HydrophobicContact CB-SD 4.06Å |
| 42 | I | 93.3 | Very high | 89.6 | Confident | 23 Ų | 23 | 66.5 Ų | 66.5 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | trans | -86.1 | 127.3 | -174 | -63.1 | 174.8 | 0 | 0 | 0 | 111.2 | L27 F28 L38 P130 M132 | L27-I42 HydrophobicContact CD1-CB 4Å; L27-I42 HydrophobicContact CD1-CD1 3.97Å; L27-I42 HydrophobicContact CD1-CG2 3.76Å; L27-I42 HydrophobicContact CD2-CD1 4.38Å; L27-I42 HydrophobicContact CD2-CG2 4.37Å; F28-I42 HydrophobicContact CZ-CD1 4.2Å; L38-I42 HydrophobicContact CB-CD1 3.83Å; L38-I42 HydrophobicContact CB-CG1 4.14Å; L38-I42 HydrophobicContact CD1-CD1 4.22Å; I42-P130 HydrophobicContact CG2-CB 3.73Å; I42-M132 HydrophobicContact CG1-CG 4.23Å; I42-M132 HydrophobicContact CG1-SD 4.47Å | ||
| 43 | T | 94.4 | Very high | 90.3 | Very high | 64 Ų | 64 | 67.2 Ų | 67.2 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 154.9 | 170 | 61.7 | 0 | 0 | 0 | 0 | 110.6 | P130 C131 | T43-P130 CarbonylContact O-C 3.41Å; T43-C131 PolarHBondContact N-O 2.89Å; T43-C131 PolarHBondContact O-N 2.79Å; T43-C131 PolarHBondContact OG1-O 3.2Å |
| 44 | W | 96.2 | Very high | 90.8 | Very high | 38 Ų | 38 | 67.3 Ų | 67.3 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.6 | 177.7 | -69.1 | 80.7 | 0 | 0 | 0 | 110.3 | F20 I22 L27 R128 L129 P130 Y163 | F20-W44 HydrophobicContact CE1-CH2 4.21Å; I22-W44 HydrophobicContact CB-CB 4.02Å; I22-W44 HydrophobicContact CB-CD2 3.76Å; I22-W44 HydrophobicContact CB-CE3 4.39Å; I22-W44 HydrophobicContact CB-CG 3.58Å; I22-W44 HydrophobicContact CG2-CB 3.9Å; I22-W44 HydrophobicContact CG2-CD2 3.63Å; I22-W44 HydrophobicContact CG2-CE3 3.77Å; I22-W44 HydrophobicContact CG2-CG 3.72Å; I22-W44 HydrophobicContact CG2-CZ3 4.44Å; I22-W44 PolarHBondContact O-NE1 3.43Å; L27-W44 HydrophobicContact CD1-CZ2 4.36Å; L27-W44 HydrophobicContact CD2-CH2 4.36Å; L27-W44 HydrophobicContact CD2-CZ2 3.82Å; L27-W44 HydrophobicContact CG-CZ2 3.87Å; W44-R128 HydrophobicContact CB-CB 4.3Å; W44-R128 HydrophobicContact CE3-CB 4.19Å; W44-R128 WeakPolarHBondContact CZ3-O 3.19Å; W44-L129 WeakPolarHBondContact CA-O 3.28Å; W44-P130 HydrophobicContact CD2-CG 4.47Å; W44-P130 HydrophobicContact CE3-CG 4.14Å; W44-P130 HydrophobicContact CH2-CG 3.93Å; W44-P130 HydrophobicContact CZ2-CG 4.24Å; W44-P130 HydrophobicContact CZ3-CG 3.86Å; W44-Y163 HydrophobicContact CH2-CE2 4.11Å |
| 45 | R | 96.9 | Very high | 91.4 | Very high | 82 Ų | 82 | 65.1 Ų | 65.1 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 144.9 | -177.1 | -65 | -167.8 | 179.3 | -147 | 3 | 112.6 | E49 I50 R128 L129 C131 S134 | R45-E49 VanDerWaalsContact CA-OE2 3.24Å; R45-E49 WeakPolarHBondContact CA-OE2 3.34Å; R45-E49 HydrophobicContact CB-CB 4.29Å; R45-I50 HydrophobicContact CB-CD1 4.22Å; R45-I50 HydrophobicContact CB-CG1 3.95Å; R45-R128 CarbonylContact O-C 3.56Å; R45-R128 WeakPolarHBondContact O-CA 3.39Å; R45-L129 PolarHBondContact N-O 2.82Å; R45-L129 PolarHBondContact O-N 2.97Å; R45-C131 HydrophobicContact CG-CB 4.34Å; R45-S134 PolarHBondContact NH1-OG 2.91Å; R45-S134 PolarHBondContact NH2-OG 2.97Å |
| 46 | R | 96.6 | Very high | 91.7 | Very high | 21 Ų | 21 | 65.2 Ų | 65.2 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | trans | -81.2 | 155.2 | 171.6 | -62.3 | -170.6 | -174 | -97.5 | 3.1 | 110.4 | F15 Q48 E49 I50 G108 D127 R128 | F15-R46 PolarHBondContact O-NH1 3.1Å; F15-R46 PolarHBondContact O-NH2 3.13Å; R46-Q48 PolarHBondContact O-N 2.95Å; R46-Q48 VanDerWaalsContact O-N 3.12Å; R46-E49 PolarHBondContact N-OE2 2.92Å; R46-E49 WeakPolarHBondContact O-CA 3.25Å; R46-E49 WeakPolarHBondContact O-CB 3.49Å; R46-E49 PolarHBondContact O-N 2.81Å; R46-I50 PolarHBondContact O-N 2.83Å; R46-G108 PolarHBondContact NH1-O 2.78Å; R46-D127 VanDerWaalsContact CD-OD1 3.31Å; R46-D127 WeakPolarHBondContact CD-OD1 3.49Å; R46-D127 WeakPolarHBondContact CG-OD1 3.29Å; R46-D127 IonicContact CZ-OD1 3.61Å; R46-D127 IonicContact NE-OD1 3Å; R46-D127 IonicContact NH1-OD1 3.22Å; R46-D127 PolarHBondContact NH1-OD1 3.03Å; R46-R128 HydrophobicContact CG-CG 3.73Å | ||
| 47 | P | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -53.7 | -33.1 | 179.6 | -36 | 41.7 | 0 | 0 | 0 | 115.3 | E49 I50 C51 P54 W101 D127 L129 F147 | P47-E49 PolarHBondContact O-N 3.4Å; P47-I50 PolarHBondContact O-N 2.85Å; P47-I50 VanDerWaalsContact O-N 3.15Å; P47-C51 PolarHBondContact O-N 3.35Å; P47-P54 HydrophobicContact CB-CB 3.52Å; P47-P54 HydrophobicContact CB-CG 4.08Å; P47-W101 HydrophobicContact CB-CD2 4.37Å; P47-W101 HydrophobicContact CB-CZ2 3.92Å; P47-W101 HydrophobicContact CG-CH2 4.4Å; P47-W101 HydrophobicContact CG-CZ2 3.52Å; P47-D127 WeakPolarHBondContact CD-O 3.19Å; P47-D127 HydrophobicContact CG-CB 4.48Å; P47-L129 HydrophobicContact CG-CD1 4.36Å; P47-F147 HydrophobicContact CB-CD1 4.11Å; P47-F147 HydrophobicContact CB-CD2 3.87Å; P47-F147 HydrophobicContact CB-CE1 3.99Å; P47-F147 HydrophobicContact CB-CE2 3.77Å; P47-F147 HydrophobicContact CB-CG 4.05Å; P47-F147 HydrophobicContact CB-CZ 3.82Å; P47-F147 HydrophobicContact CG-CB 4.46Å; P47-F147 HydrophobicContact CG-CD1 3.84Å; P47-F147 HydrophobicContact CG-CD2 4.25Å; P47-F147 HydrophobicContact CG-CE1 4.09Å; P47-F147 HydrophobicContact CG-CG 3.92Å; P47-F147 HydrophobicContact CG-CZ 4.42Å |
| 48 | Q | 95.2 | Very high | 92.6 | Very high | 82 Ų | 82 | 60.4 Ų | 60.4 | 38% | 0.383 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.1 | -20.9 | 175 | -58.7 | 104.3 | -50.5 | 0 | 0 | 113.9 | R46 P54 W101 Y106 | R46-Q48 PolarHBondContact O-N 2.95Å; R46-Q48 VanDerWaalsContact O-N 3.12Å; Q48-P54 HydrophobicContact CG-CG 4.18Å; Q48-W101 VanDerWaalsContact OE1-CD1 3.29Å; Q48-Y106 VanDerWaalsContact NE2-CZ 3.3Å; Q48-Y106 PolarHBondContact NE2-OH 3.39Å; Q48-Y106 PolarHBondContact OE1-OH 3.14Å |
| 49 | E | 95 | Very high | 92.7 | Very high | 114 Ų | 114 | 66.8 Ų | 66.8 | 53% | 0.533 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -90.7 | -13.2 | 177.6 | -56.5 | 170.4 | 150.3 | 0 | 0 | 111.8 | R45 R46 P47 | R45-E49 VanDerWaalsContact CA-OE2 3.24Å; R45-E49 WeakPolarHBondContact CA-OE2 3.34Å; R45-E49 HydrophobicContact CB-CB 4.29Å; R46-E49 PolarHBondContact N-OE2 2.92Å; R46-E49 WeakPolarHBondContact O-CA 3.25Å; R46-E49 WeakPolarHBondContact O-CB 3.49Å; R46-E49 PolarHBondContact O-N 2.81Å; P47-E49 PolarHBondContact O-N 3.4Å |
| 50 | I | 95.3 | Very high | 93.1 | Very high | 39 Ų | 39 | 66.8 Ų | 66.8 | 20% | 0.2 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -97.3 | -43.1 | -178.6 | -59.6 | 169 | 0 | 0 | 0 | 110.2 | R45 R46 P47 L136 F147 | R45-I50 HydrophobicContact CB-CD1 4.22Å; R45-I50 HydrophobicContact CB-CG1 3.95Å; R46-I50 PolarHBondContact O-N 2.83Å; P47-I50 PolarHBondContact O-N 2.85Å; P47-I50 VanDerWaalsContact O-N 3.15Å; I50-L136 HydrophobicContact CD1-CD2 3.89Å; I50-F147 HydrophobicContact CB-CE1 4.44Å; I50-F147 HydrophobicContact CB-CZ 4.3Å; I50-F147 HydrophobicContact CD1-CE1 4.03Å; I50-F147 HydrophobicContact CG2-CE1 4.29Å; I50-F147 HydrophobicContact CG2-CZ 4.2Å |
| 51 | C | 93.9 | Very high | 93.3 | Very high | 31 Ų | 31 | 66.6 Ų | 66.6 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | trans | -144.7 | 163 | 178.5 | 83.5 | 0 | 0 | 0 | 0 | 113.2 | P47 | P47-C51 PolarHBondContact O-N 3.35Š| ||
| 52 | R | 92.3 | Very high | 93.1 | Very high | 249 Ų | 249 | 66.2 Ų | 66.2 | 94% | 0.94 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -70.6 | -33.2 | -173.7 | -68.2 | -176.1 | 178.9 | 173.3 | -0 | 114.3 | ||
| 53 | S | 93.4 | Very high | 92.8 | Very high | 94 Ų | 94 | 68.7 Ų | 68.7 | 66% | 0.657 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -136 | 67.8 | -171.4 | -56.9 | 0 | 0 | 0 | 0 | 111 | S145 | S53-S145 WeakPolarHBondContact O-CB 3.39Š|
| 54 | P | 95.9 | Very high | 92.7 | Very high | 16 Ų | 16 | 65.8 Ų | 65.8 | 10% | 0.104 | 34% | 0.343 | C | S | . | . | trans | -68 | 139.2 | -178.5 | 27.2 | -33.2 | 0 | 0 | 0 | 111.5 | P47 Q48 W101 S145 F147 | P47-P54 HydrophobicContact CB-CB 3.52Å; P47-P54 HydrophobicContact CB-CG 4.08Å; Q48-P54 HydrophobicContact CG-CG 4.18Å; P54-W101 HydrophobicContact CB-CB 4.41Å; P54-W101 HydrophobicContact CB-CD2 3.83Å; P54-W101 HydrophobicContact CB-CE3 4Å; P54-W101 HydrophobicContact CB-CG 4.02Å; P54-W101 HydrophobicContact CG-CB 3.64Å; P54-W101 HydrophobicContact CG-CD2 3.95Å; P54-W101 HydrophobicContact CG-CE3 4.46Å; P54-W101 HydrophobicContact CG-CG 3.57Å; P54-S145 WeakPolarHBondContact CA-O 3.4Å; P54-F147 HydrophobicContact CB-CD2 3.9Å; P54-F147 HydrophobicContact CB-CE2 3.57Å | ||
| 55 | S | 95.3 | Very high | 92.4 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -133.6 | 156.3 | 174.9 | 74.9 | 0 | 0 | 0 | 0 | 110.5 | F57 S145 A146 F147 | S55-F57 WeakPolarHBondContact CB-O 3.44Å; S55-F57 PolarHBondContact OG-O 3.12Å; S55-S145 PolarHBondContact N-O 2.99Å; S55-A146 WeakPolarHBondContact O-CA 3.33Å; S55-F147 PolarHBondContact O-N 2.93Å |
| 56 | L | 94.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -73.9 | -55.3 | -177.8 | -172.2 | 62.4 | 0 | 0 | 0 | 108.1 | F94 Q98 W101 F110 F147 W148 L151 | L56-F94 HydrophobicContact CD2-CD1 4.25Å; L56-Q98 HydrophobicContact CD2-CB 4.34Å; L56-W101 HydrophobicContact CB-CZ3 4.07Å; L56-W101 HydrophobicContact CD1-CH2 4.17Å; L56-W101 HydrophobicContact CD1-CZ3 4.44Å; L56-F110 HydrophobicContact CD1-CD1 4.13Å; L56-F110 HydrophobicContact CD1-CE1 4.02Å; L56-F147 PolarHBondContact O-N 3.06Å; L56-W148 HydrophobicContact CD1-CB 4.25Å; L56-W148 HydrophobicContact CG-CB 4.29Å; L56-W148 VanDerWaalsContact O-CB 3.25Å; L56-W148 WeakPolarHBondContact O-CB 3.35Å; L56-W148 PolarHBondContact O-N 2.77Å; L56-L151 HydrophobicContact CD1-CD1 3.78Å |
| 57 | F | 94.7 | Very high | 91.9 | Very high | 62 Ų | 62 | 61.6 Ų | 61.6 | 27% | 0.272 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -112.1 | 149 | 172.3 | -64.8 | -84.7 | 0 | 0 | 0 | 110 | S55 L90 F94 W148 | S55-F57 WeakPolarHBondContact CB-O 3.44Å; S55-F57 PolarHBondContact OG-O 3.12Å; F57-L90 HydrophobicContact CE1-CD1 3.94Å; F57-L90 HydrophobicContact CE1-CD2 4.07Å; F57-L90 HydrophobicContact CE1-CG 4.4Å; F57-L90 HydrophobicContact CZ-CD1 3.96Å; F57-L90 HydrophobicContact CZ-CD2 4.28Å; F57-L90 HydrophobicContact CZ-CG 4.27Å; F57-F94 AromaticContact CE2-CD1 3.95Å; F57-F94 HydrophobicContact CE2-CD1 3.95Å; F57-F94 HydrophobicContact CE2-CE1 4.3Å; F57-F94 HydrophobicContact CE2-CG 4.19Å; F57-F94 HydrophobicContact CZ-CB 4.47Å; F57-F94 AromaticContact CZ-CD1 3.79Å; F57-F94 HydrophobicContact CZ-CD1 3.79Å; F57-F94 AromaticContact CZ-CD2 3.97Å; F57-F94 HydrophobicContact CZ-CD2 3.97Å; F57-F94 AromaticContact CZ-CE1 3.89Å; F57-F94 HydrophobicContact CZ-CE1 3.89Å; F57-F94 HydrophobicContact CZ-CE2 4.12Å; F57-F94 AromaticContact CZ-CG 3.82Å; F57-F94 HydrophobicContact CZ-CG 3.82Å; F57-F94 HydrophobicContact CZ-CZ 4.09Å; F57-W148 HydrophobicContact CD1-CB 3.88Å; F57-W148 AromaticContact CD1-CD1 3.65Å; F57-W148 HydrophobicContact CD1-CD2 4.1Å; F57-W148 AromaticContact CD1-CG 3.57Å; F57-W148 HydrophobicContact CD1-CG 3.57Å; F57-W148 HydrophobicContact CE1-CB 3.51Å; F57-W148 AromaticContact CE1-CD1 3.83Å; F57-W148 AromaticContact CE1-CD2 3.48Å; F57-W148 HydrophobicContact CE1-CD2 3.48Å; F57-W148 VanDerWaalsContact CE1-CD2 3.48Å; F57-W148 AromaticContact CE1-CE3 3.9Å; F57-W148 HydrophobicContact CE1-CE3 3.9Å; F57-W148 AromaticContact CE1-CG 3.29Å; F57-W148 HydrophobicContact CE1-CG 3.29Å; F57-W148 HydrophobicContact CE2-CB 4.19Å; F57-W148 HydrophobicContact CG-CB 4.37Å; F57-W148 HydrophobicContact CG-CG 4.45Å; F57-W148 HydrophobicContact CZ-CB 3.68Å; F57-W148 HydrophobicContact CZ-CD2 4.24Å; F57-W148 HydrophobicContact CZ-CE3 4.37Å; F57-W148 AromaticContact CZ-CG 3.97Å; F57-W148 HydrophobicContact CZ-CG 3.97Å |
| 58 | P | 92.6 | Very high | 91.6 | Very high | 18 Ų | 18 | 62.7 Ų | 62.7 | 12% | 0.117 | 33% | 0.334 | C | S | . | . | trans | -77.3 | 156 | 171.9 | 30.6 | -28.5 | 0 | 0 | 0 | 110.9 | N60 L63 A64 A146 | P58-N60 VanDerWaalsContact C-N 3.26Å; P58-N60 WeakPolarHBondContact CG-O 3.39Å; P58-N60 PolarHBondContact O-N 3.41Å; P58-L63 HydrophobicContact CB-CB 4.15Å; P58-L63 HydrophobicContact CG-CB 4.11Å; P58-A64 HydrophobicContact CG-CB 3.64Å; P58-A146 HydrophobicContact CB-CB 4.06Å; P58-A146 HydrophobicContact CG-CB 4.03Å | ||
| 59 | T | 87.4 | Confident | 91.5 | Very high | 160 Ų | 160 | 60 Ų | 60 | 98% | 0.982 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -62.2 | -34.4 | 176.4 | -44.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 60 | N | 88.3 | Confident | 91.3 | Very high | 81 Ų | 81 | 58.7 Ų | 58.7 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -97.6 | 116.2 | 175.1 | -177.8 | -10.2 | 0 | 0 | 0 | 109.7 | P58 N62 L63 | P58-N60 VanDerWaalsContact C-N 3.26Å; P58-N60 WeakPolarHBondContact CG-O 3.39Å; P58-N60 PolarHBondContact O-N 3.41Å; N60-N62 PolarHBondContact O-N 3.21Å; N60-N62 WeakPolarHBondContact OD1-CB 3.26Å; N60-N62 PolarHBondContact OD1-N 3.45Å; N60-L63 HydrophobicContact CB-CD1 4.1Å; N60-L63 HydrophobicContact CB-CG 4.13Å; N60-L63 WeakPolarHBondContact O-CB 3.42Å; N60-L63 PolarHBondContact O-N 3.47Å |
| 61 | A | 84.5 | Confident | 91 | Very high | 71 Ų | 71 | 56.9 Ų | 56.9 | 59% | 0.587 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -57.4 | -31.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L63 A64 | A61-L63 PolarHBondContact O-N 2.95Å; A61-A64 WeakPolarHBondContact O-CB 3.27Å; A61-A64 PolarHBondContact O-N 3.23Å |
| 62 | N | 82.9 | Confident | 90.7 | Very high | 111 Ų | 111 | 56.1 Ų | 56.1 | 59% | 0.594 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -64.4 | -23.1 | 176.5 | -66.7 | -15.9 | 0 | 0 | 0 | 112.3 | N60 A64 H65 | N60-N62 PolarHBondContact O-N 3.21Å; N60-N62 WeakPolarHBondContact OD1-CB 3.26Å; N60-N62 PolarHBondContact OD1-N 3.45Å; N62-A64 VanDerWaalsContact C-N 3.33Å; N62-H65 PolarHBondContact O-CD2 2.84Å; N62-H65 VanDerWaalsContact O-CD2 3.27Å |
| 63 | L | 88 | Confident | 90.6 | Very high | 76 Ų | 76 | 44.2 Ų | 44.2 | 40% | 0.398 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -86.8 | -5.4 | 175.5 | -59.1 | 179 | 0 | 0 | 0 | 113 | P58 N60 A61 H65 H142 S143 | P58-L63 HydrophobicContact CB-CB 4.15Å; P58-L63 HydrophobicContact CG-CB 4.11Å; N60-L63 HydrophobicContact CB-CD1 4.1Å; N60-L63 HydrophobicContact CB-CG 4.13Å; N60-L63 WeakPolarHBondContact O-CB 3.42Å; N60-L63 PolarHBondContact O-N 3.47Å; A61-L63 PolarHBondContact O-N 2.95Å; L63-H65 VanDerWaalsContact C-N 3.34Å; L63-H142 HydrophobicContact CD2-CB 4.33Å; L63-H142 PolarHBondContact O-N 2.61Å; L63-S143 PolarHBondContact O-N 2.87Å |
| 64 | A | 90.7 | Very high | 90.6 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | trans | -80.3 | -16.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P58 A61 N62 L84 W148 | P58-A64 HydrophobicContact CG-CB 3.64Å; A61-A64 WeakPolarHBondContact O-CB 3.27Å; A61-A64 PolarHBondContact O-N 3.23Å; N62-A64 VanDerWaalsContact C-N 3.33Å; A64-L84 HydrophobicContact CB-CD1 4.03Å; A64-L84 HydrophobicContact CB-CD2 3.79Å; A64-W148 WeakPolarHBondContact O-CZ2 3.35Å; A64-W148 PolarHBondContact O-NE1 3.33Å | ||
| 65 | H | 90.8 | Very high | 90.4 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 11% | 0.106 | 24% | 0.238 | C | C | . | . | trans | -56.7 | 141.6 | -178.8 | -70.9 | -63 | 0 | 0 | 0 | 112.2 | N62 L63 C141 H142 | N62-H65 PolarHBondContact O-CD2 2.84Å; N62-H65 VanDerWaalsContact O-CD2 3.27Å; L63-H65 VanDerWaalsContact C-N 3.34Å; H65-C141 WeakPolarHBondContact O-CA 3.43Å; H65-H142 PolarHBondContact O-N 3.18Å; H65-H142 VanDerWaalsContact O-N 3.07Å; H65-H142 PolarHBondContact O-ND1 3.33Å | ||
| 66 | A | 90.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 145.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L77 R140 V149 | A66-L77 HydrophobicContact CB-CB 4.23Å; A66-L77 HydrophobicContact CB-CD2 4.06Å; A66-R140 CarbonylContact C-O 3.58Å; A66-V149 HydrophobicContact CB-CG1 3.88Å; A66-V149 HydrophobicContact CB-CG2 3.96Å |
| 67 | K | 91.1 | Very high | 90.5 | Very high | 27 Ų | 27 | 38.5 Ų | 38.5 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126.8 | 161.3 | -65.7 | -168.3 | 179 | -172.9 | 0 | 107.4 | S139 R140 H142 P270 E304 | K67-S139 WeakPolarHBondContact O-CA 3.34Å; K67-R140 HydrophobicContact CB-CG 3.99Å; K67-R140 PolarHBondContact N-O 2.84Å; K67-R140 PolarHBondContact O-N 3.24Å; K67-H142 WeakPolarHBondContact CE-CD2 3.21Å; K67-H142 WeakPolarHBondContact CE-CE1 3.36Å; K67-H142 VanDerWaalsContact CE-CG 3.49Å; K67-H142 WeakPolarHBondContact CE-NE2 3.49Å; K67-H142 WeakPolarHBondContact CG-CE1 3.49Å; K67-P270 CarbonylContact C-O 3.4Å; K67-P270 WeakPolarHBondContact CA-O 3.33Å; K67-E304 IonicContact NZ-OE1 3.85Å; K67-E304 PolarHBondContact NZ-OE1 3.15Å; K67-E304 IonicContact NZ-OE2 3.92Å; K67-E304 PolarHBondContact NZ-OE2 2.92Å |
| 68 | Q | 91.6 | Very high | 90.5 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | trans | -66.5 | 140.9 | 177.7 | -170.1 | 175.8 | -18.2 | 0 | 0 | 111 | L71 C74 L77 P270 W271 | Q68-L71 WeakPolarHBondContact CG-O 3.5Å; Q68-L71 PolarHBondContact NE2-O 2.86Å; Q68-C74 VanDerWaalsContact OE1-CB 3.25Å; Q68-L77 VanDerWaalsContact CA-CD1 3.45Å; Q68-L77 HydrophobicContact CB-CD1 3.47Å; Q68-L77 VanDerWaalsContact CB-CD1 3.47Å; Q68-L77 HydrophobicContact CG-CD1 3.8Å; Q68-P270 HydrophobicContact CB-CB 4.48Å; Q68-P270 PolarHBondContact N-O 3.32Å; Q68-W271 VanDerWaalsContact OE1-CD1 3.23Å; Q68-W271 VanDerWaalsContact OE1-NE1 3.14Å | ||
| 69 | G | 91.8 | Very high | 90.6 | Very high | 25 Ų | 25 | 35 Ų | 35 | 26% | 0.258 | 21% | 0.21 | S | C | . | . | trans | -93.1 | -140.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L71 C137 F138 | G69-L71 VanDerWaalsContact C-N 3.31Å; G69-C137 WeakPolarHBondContact CA-O 3.34Å; G69-F138 WeakPolarHBondContact CA-O 3.37Å | ||
| 70 | L | 90.6 | Very high | 91 | Very high | 87 Ų | 87 | 27.3 Ų | 27.3 | 46% | 0.455 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -79.8 | -12.3 | -178.9 | -60.5 | 172.6 | 0 | 0 | 0 | 113.8 | L38 M132 C137 | L38-L70 HydrophobicContact CD1-CD1 3.82Å; L70-M132 HydrophobicContact CD1-CE 3.16Å; L70-C137 WeakPolarHBondContact CG-O 3.2Å; L70-C137 PolarHBondContact N-O 3.05Å |
| 71 | L | 89.6 | Confident | 91.2 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -82 | 137.7 | 179.6 | -169.4 | 64 | 0 | 0 | 0 | 110.8 | I35 Q68 G69 D73 F138 Y163 L166 W167 | I35-L71 HydrophobicContact CD1-CD1 4Å; I35-L71 HydrophobicContact CG2-CD1 4.38Å; Q68-L71 WeakPolarHBondContact CG-O 3.5Å; Q68-L71 PolarHBondContact NE2-O 2.86Å; G69-L71 VanDerWaalsContact C-N 3.31Å; L71-D73 HydrophobicContact CD2-CB 3.96Å; L71-D73 HydrophobicContact CG-CB 3.97Å; L71-D73 PolarHBondContact O-N 3.43Å; L71-F138 HydrophobicContact CB-CD1 3.69Å; L71-F138 HydrophobicContact CB-CE1 4.19Å; L71-F138 HydrophobicContact CB-CG 4.36Å; L71-Y163 WeakPolarHBondContact CD1-O 3.33Å; L71-Y163 HydrophobicContact CD2-CD1 4.05Å; L71-L166 HydrophobicContact CD2-CB 4.05Å; L71-L166 HydrophobicContact CD2-CD1 4.26Å; L71-W167 HydrophobicContact CD1-CE3 4.15Å |
| 72 | G | 88.6 | Confident | 91.6 | Very high | 15 Ų | 15 | 21 Ų | 21 | 16% | 0.155 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -78.2 | 50.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A168 | G72-A168 PolarHBondContact O-N 2.91Š|
| 73 | D | 90.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -110.8 | 24.5 | -172.1 | 74.7 | -35.1 | 0 | 0 | 0 | 113.9 | L71 W75 F76 L77 L166 | L71-D73 HydrophobicContact CD2-CB 3.96Å; L71-D73 HydrophobicContact CG-CB 3.97Å; L71-D73 PolarHBondContact O-N 3.43Å; D73-W75 PolarHBondContact O-N 2.77Å; D73-F76 HydrophobicContact CB-CB 4.47Å; D73-F76 WeakPolarHBondContact O-CB 3.36Å; D73-F76 PolarHBondContact O-N 2.81Å; D73-L77 PolarHBondContact O-N 2.96Å; D73-L166 HydrophobicContact CB-CB 4.41Å | ||
| 74 | C | 91.8 | Very high | 92.3 | Very high | 13 Ų | 13 | 14 Ų | 14 | 9% | 0.088 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -47.3 | -35.5 | 178 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | Q68 F76 L77 C78 H244 A245 P270 | Q68-C74 VanDerWaalsContact OE1-CB 3.25Å; C74-F76 VanDerWaalsContact C-N 3.3Å; C74-F76 PolarHBondContact O-N 2.68Å; C74-L77 PolarHBondContact O-N 2.73Å; C74-C78 PolarHBondContact O-N 2.73Å; C74-C78 PolarHBondContact O-SG 2.89Å; C74-C78 VanDerWaalsContact O-SG 3.4Å; C74-H244 WeakPolarHBondContact CB-CE1 3.39Å; C74-H244 WeakPolarHBondContact CB-ND1 3.37Å; C74-H244 PolarHBondContact SG-ND1 2.86Å; C74-A245 HydrophobicContact CB-CB 4.42Å; C74-A245 PolarHBondContact SG-N 2.77Å; C74-P270 HydrophobicContact CB-CB 4.48Å; C74-P270 HydrophobicContact CB-CG 4.34Å |
| 75 | W | 93.1 | Very high | 92.2 | Very high | 11 Ų | 11 | 19 Ų | 19 | 4% | 0.042 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.3 | -40.3 | 175.9 | 68.3 | -82.9 | 0 | 0 | 0 | 113.5 | D73 Y156 L166 G169 V171 E173 A174 | D73-W75 PolarHBondContact O-N 2.77Å; W75-Y156 AromaticContact CH2-CE1 3.55Å; W75-Y156 HydrophobicContact CH2-CE1 3.55Å; W75-Y156 AromaticContact CH2-CZ 3.9Å; W75-Y156 VanDerWaalsContact CH2-OH 3.31Å; W75-Y156 WeakPolarHBondContact CH2-OH 3.42Å; W75-Y156 HydrophobicContact CZ2-CE1 4.01Å; W75-Y156 HydrophobicContact CZ3-CE1 4.24Å; W75-Y156 WeakPolarHBondContact CZ3-OH 3.48Å; W75-L166 PolarHBondContact NE1-O 2.96Å; W75-G169 VanDerWaalsContact CG-C 3.43Å; W75-G169 VanDerWaalsContact NE1-N 3.13Å; W75-V171 HydrophobicContact CB-CG2 4Å; W75-E173 HydrophobicContact CZ3-CB 4.09Å; W75-A174 HydrophobicContact CE3-CB 3.55Å; W75-A174 HydrophobicContact CZ3-CB 3.57Å |
| 76 | F | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -74.1 | -42.2 | 177.4 | 171.4 | -108.4 | 0 | 0 | 0 | 110.8 | D73 C74 C78 A79 C80 L152 E153 Y156 A174 L178 | D73-F76 HydrophobicContact CB-CB 4.47Å; D73-F76 WeakPolarHBondContact O-CB 3.36Å; D73-F76 PolarHBondContact O-N 2.81Å; C74-F76 VanDerWaalsContact C-N 3.3Å; C74-F76 PolarHBondContact O-N 2.68Å; F76-C78 VanDerWaalsContact C-N 3.31Å; F76-C78 PolarHBondContact O-N 2.79Å; F76-A79 WeakPolarHBondContact O-CA 3.36Å; F76-A79 WeakPolarHBondContact O-CB 3.42Å; F76-A79 PolarHBondContact O-N 2.77Å; F76-C80 VanDerWaalsContact CE1-SG 3.54Å; F76-C80 PolarHBondContact O-N 3.43Å; F76-C80 PolarHBondContact O-SG 2.68Å; F76-C80 VanDerWaalsContact O-SG 3.4Å; F76-L152 HydrophobicContact CZ-CD2 4.09Å; F76-L152 HydrophobicContact CZ-CG 3.95Å; F76-E153 HydrophobicContact CE1-CB 3.95Å; F76-E153 HydrophobicContact CE1-CG 4.31Å; F76-Y156 AromaticContact CD2-CD1 3.65Å; F76-Y156 HydrophobicContact CD2-CD1 3.65Å; F76-Y156 AromaticContact CD2-CE1 3.68Å; F76-Y156 HydrophobicContact CD2-CE1 3.68Å; F76-Y156 HydrophobicContact CD2-CG 4.08Å; F76-Y156 AromaticContact CE2-CD1 3.67Å; F76-Y156 HydrophobicContact CE2-CD1 3.67Å; F76-Y156 AromaticContact CE2-CD2 3.97Å; F76-Y156 HydrophobicContact CE2-CD2 3.97Å; F76-Y156 HydrophobicContact CE2-CE1 4.08Å; F76-Y156 HydrophobicContact CE2-CE2 4.37Å; F76-Y156 AromaticContact CE2-CG 3.61Å; F76-Y156 HydrophobicContact CE2-CG 3.61Å; F76-Y156 HydrophobicContact CG-CD1 4.22Å; F76-Y156 HydrophobicContact CG-CE1 4.35Å; F76-Y156 HydrophobicContact CZ-CD1 4.26Å; F76-Y156 HydrophobicContact CZ-CG 4.11Å; F76-A174 HydrophobicContact CB-CB 4.44Å; F76-A174 HydrophobicContact CD2-CB 4.11Å; F76-L178 HydrophobicContact CD2-CD1 4.49Å; F76-L178 HydrophobicContact CE2-CD1 4.08Å; F76-L178 HydrophobicContact CE2-CD2 4.31Å; F76-L178 HydrophobicContact CE2-CG 4.47Å |
| 77 | L | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.6 | -30.6 | 179.5 | -54.4 | -178.7 | 0 | 0 | 0 | 113.4 | A66 Q68 D73 C74 A79 C80 T81 S139 V149 P270 | A66-L77 HydrophobicContact CB-CB 4.23Å; A66-L77 HydrophobicContact CB-CD2 4.06Å; Q68-L77 VanDerWaalsContact CA-CD1 3.45Å; Q68-L77 HydrophobicContact CB-CD1 3.47Å; Q68-L77 VanDerWaalsContact CB-CD1 3.47Å; Q68-L77 HydrophobicContact CG-CD1 3.8Å; D73-L77 PolarHBondContact O-N 2.96Å; C74-L77 PolarHBondContact O-N 2.73Å; L77-A79 VanDerWaalsContact C-N 3.31Å; L77-C80 PolarHBondContact O-N 3.38Å; L77-T81 PolarHBondContact O-N 2.83Å; L77-T81 PolarHBondContact O-OG1 3.48Å; L77-S139 WeakPolarHBondContact CD1-OG 3.3Å; L77-S139 VanDerWaalsContact CD2-OG 3.23Å; L77-S139 WeakPolarHBondContact CD2-OG 3.42Å; L77-V149 HydrophobicContact CD2-CG1 3.92Å; L77-P270 HydrophobicContact CB-CB 4.22Å; L77-P270 HydrophobicContact CD1-CB 4.35Å |
| 78 | C | 94.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 3% | 0.027 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.5 | -42.4 | 168.3 | -76.4 | 0 | 0 | 0 | 0 | 111.6 | C74 F76 T81 F82 V171 T247 | C74-C78 PolarHBondContact O-N 2.73Å; C74-C78 PolarHBondContact O-SG 2.89Å; C74-C78 VanDerWaalsContact O-SG 3.4Å; F76-C78 VanDerWaalsContact C-N 3.31Å; F76-C78 PolarHBondContact O-N 2.79Å; C78-T81 WeakPolarHBondContact O-CB 3.32Å; C78-T81 PolarHBondContact O-N 3.05Å; C78-F82 PolarHBondContact O-N 2.97Å; C78-V171 HydrophobicContact CB-CG1 4.04Å; C78-V171 HydrophobicContact CB-CG2 4.13Å; C78-T247 WeakPolarHBondContact CA-OG1 3.48Å; C78-T247 PolarHBondContact SG-OG1 3.41Å |
| 79 | A | 95.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.2 | -37.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F76 L77 T81 F82 L83 A174 L175 L178 | F76-A79 WeakPolarHBondContact O-CA 3.36Å; F76-A79 WeakPolarHBondContact O-CB 3.42Å; F76-A79 PolarHBondContact O-N 2.77Å; L77-A79 VanDerWaalsContact C-N 3.31Å; A79-T81 VanDerWaalsContact C-N 3.26Å; A79-T81 PolarHBondContact O-N 3.08Å; A79-F82 WeakPolarHBondContact O-CB 3.36Å; A79-F82 PolarHBondContact O-N 3.4Å; A79-F82 VanDerWaalsContact O-N 3.1Å; A79-L83 PolarHBondContact O-N 2.85Å; A79-A174 HydrophobicContact CB-CB 3.54Å; A79-L175 HydrophobicContact CB-CD2 3.89Å; A79-L175 HydrophobicContact CB-CG 4.07Å; A79-L178 HydrophobicContact CB-CD1 3.87Å |
| 80 | C | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.2 | -36.8 | 172.1 | -65 | 0 | 0 | 0 | 0 | 112.3 | F76 L77 F82 L83 L84 W148 | F76-C80 VanDerWaalsContact CE1-SG 3.54Å; F76-C80 PolarHBondContact O-N 3.43Å; F76-C80 PolarHBondContact O-SG 2.68Å; F76-C80 VanDerWaalsContact O-SG 3.4Å; L77-C80 PolarHBondContact O-N 3.38Å; C80-F82 VanDerWaalsContact C-N 3.28Å; C80-F82 PolarHBondContact O-N 3.32Å; C80-L83 WeakPolarHBondContact O-CB 3.41Å; C80-L83 PolarHBondContact O-N 2.88Å; C80-L84 PolarHBondContact O-N 3.03Å; C80-L84 VanDerWaalsContact O-N 3.16Å; C80-W148 HydrophobicContact CB-CH2 3.86Å; C80-W148 HydrophobicContact CB-CZ3 4.36Å |
| 81 | T | 92.7 | Very high | 93 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 3% | 0.025 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.8 | -37.1 | 175.9 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | L77 C78 A79 T247 M249 | L77-T81 PolarHBondContact O-N 2.83Å; L77-T81 PolarHBondContact O-OG1 3.48Å; C78-T81 WeakPolarHBondContact O-CB 3.32Å; C78-T81 PolarHBondContact O-N 3.05Å; A79-T81 VanDerWaalsContact C-N 3.26Å; A79-T81 PolarHBondContact O-N 3.08Å; T81-T247 HydrophobicContact CG2-CG2 3.96Å; T81-M249 HydrophobicContact CG2-CE 3.95Å; T81-M249 HydrophobicContact CG2-SD 3.69Å |
| 82 | F | 91.8 | Very high | 93.3 | Very high | 16 Ų | 16 | 26.6 Ų | 26.6 | 7% | 0.07 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.8 | -40.2 | 173.1 | 178.4 | -107.2 | 0 | 0 | 0 | 112.4 | C78 A79 C80 L84 K85 N86 L89 L175 T179 E223 A225 | C78-F82 PolarHBondContact O-N 2.97Å; A79-F82 WeakPolarHBondContact O-CB 3.36Å; A79-F82 PolarHBondContact O-N 3.4Å; A79-F82 VanDerWaalsContact O-N 3.1Å; C80-F82 VanDerWaalsContact C-N 3.28Å; C80-F82 PolarHBondContact O-N 3.32Å; F82-L84 PolarHBondContact O-N 2.86Å; F82-K85 WeakPolarHBondContact O-CB 3.39Å; F82-K85 PolarHBondContact O-N 2.98Å; F82-N86 PolarHBondContact O-N 3.05Å; F82-L89 HydrophobicContact CE1-CD1 4.02Å; F82-L175 HydrophobicContact CB-CD2 4.15Å; F82-L175 HydrophobicContact CD1-CD2 4.07Å; F82-L175 HydrophobicContact CG-CD2 4.3Å; F82-T179 HydrophobicContact CD1-CG2 4.06Å; F82-T179 HydrophobicContact CE1-CG2 3.89Å; F82-E223 WeakPolarHBondContact CE2-O 3.37Å; F82-A225 HydrophobicContact CB-CB 4.03Å; F82-A225 HydrophobicContact CD1-CB 3.96Å; F82-A225 HydrophobicContact CD2-CB 3.4Å; F82-A225 VanDerWaalsContact CD2-CB 3.4Å; F82-A225 HydrophobicContact CE1-CB 4.26Å; F82-A225 HydrophobicContact CE2-CB 3.74Å; F82-A225 HydrophobicContact CG-CB 3.51Å; F82-A225 HydrophobicContact CZ-CB 4.15Å |
| 83 | L | 93.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56 | -40 | 177.8 | -172.1 | 64.1 | 0 | 0 | 0 | 111.9 | A79 C80 K85 N86 L89 L90 V93 F94 W148 L152 | A79-L83 PolarHBondContact O-N 2.85Å; C80-L83 WeakPolarHBondContact O-CB 3.41Å; C80-L83 PolarHBondContact O-N 2.88Å; L83-K85 PolarHBondContact O-N 2.86Å; L83-N86 PolarHBondContact O-N 2.73Å; L83-L89 VanDerWaalsContact CD1-C 3.48Å; L83-L89 HydrophobicContact CD1-CB 3.68Å; L83-L90 HydrophobicContact CD2-CD1 3.98Å; L83-L90 HydrophobicContact CG-CB 4.45Å; L83-L90 HydrophobicContact CG-CD1 3.78Å; L83-V93 HydrophobicContact CD1-CB 4.32Å; L83-V93 HydrophobicContact CD1-CG2 3.83Å; L83-V93 HydrophobicContact CD2-CB 4.02Å; L83-V93 HydrophobicContact CD2-CG1 3.94Å; L83-V93 HydrophobicContact CD2-CG2 4.1Å; L83-F94 HydrophobicContact CD2-CE2 4.21Å; L83-W148 HydrophobicContact CD2-CZ3 4.3Å; L83-L152 HydrophobicContact CD2-CD2 4.07Å |
| 84 | L | 91.7 | Very high | 94.1 | Very high | 36 Ų | 36 | 26.3 Ų | 26.3 | 19% | 0.188 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.5 | -28 | 174.7 | -76.2 | 177.8 | 0 | 0 | 0 | 114.4 | A64 C80 F82 N86 W148 | A64-L84 HydrophobicContact CB-CD1 4.03Å; A64-L84 HydrophobicContact CB-CD2 3.79Å; C80-L84 PolarHBondContact O-N 3.03Å; C80-L84 VanDerWaalsContact O-N 3.16Å; F82-L84 PolarHBondContact O-N 2.86Å; L84-N86 VanDerWaalsContact C-N 3.34Å; L84-W148 HydrophobicContact CD1-CH2 4.2Å; L84-W148 HydrophobicContact CD1-CZ2 3.6Å; L84-W148 HydrophobicContact CD2-CH2 3.89Å; L84-W148 HydrophobicContact CD2-CZ2 3.45Å; L84-W148 VanDerWaalsContact CD2-CZ2 3.45Å; L84-W148 HydrophobicContact CG-CH2 3.68Å; L84-W148 HydrophobicContact CG-CZ2 3.46Å; L84-W148 VanDerWaalsContact CG-CZ2 3.46Å |
| 85 | K | 89.6 | Confident | 94.2 | Very high | 110 Ų | 110 | 26.8 Ų | 26.8 | 48% | 0.478 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -80.2 | -16.4 | 179.2 | -67.8 | -175.3 | 170.5 | -170.6 | 0 | 112.5 | F82 L83 M249 | F82-K85 WeakPolarHBondContact O-CB 3.39Å; F82-K85 PolarHBondContact O-N 2.98Å; L83-K85 PolarHBondContact O-N 2.86Å; K85-M249 PolarHBondContact NZ-O 2.88Å |
| 86 | N | 92.3 | Very high | 94.1 | Very high | 26 Ų | 26 | 31.2 Ų | 31.2 | 14% | 0.139 | 16% | 0.159 | C | C | . | . | trans | -120.7 | 95.2 | -176.2 | -169 | -42.4 | 0 | 0 | 0 | 111.3 | F82 L83 L84 H88 L89 L90 I327 | F82-N86 PolarHBondContact O-N 3.05Å; L83-N86 PolarHBondContact O-N 2.73Å; L84-N86 VanDerWaalsContact C-N 3.34Å; N86-H88 VanDerWaalsContact C-N 3.26Å; N86-H88 PolarHBondContact O-N 3.36Å; N86-H88 WeakPolarHBondContact OD1-CB 3.32Å; N86-H88 PolarHBondContact OD1-N 3.31Å; N86-L89 HydrophobicContact CB-CB 4.19Å; N86-L89 HydrophobicContact CB-CD1 4.01Å; N86-L89 HydrophobicContact CB-CG 4.25Å; N86-L89 PolarHBondContact O-N 3.34Å; N86-L89 VanDerWaalsContact O-N 3.14Å; N86-L89 PolarHBondContact OD1-N 3.49Å; N86-L89 VanDerWaalsContact OD1-N 3.11Å; N86-L90 PolarHBondContact O-N 3.18Å; N86-I327 PolarHBondContact ND2-O 3.23Å | ||
| 87 | Q | 92 | Very high | 93.8 | Very high | 114 Ų | 114 | 33.8 Ų | 33.8 | 53% | 0.533 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.5 | -36.4 | -178.3 | -169.8 | 64.1 | 47.8 | 0 | 0 | 113.2 | L90 D91 | Q87-L90 PolarHBondContact O-N 3.02Å; Q87-D91 PolarHBondContact NE2-OD1 3.19Å; Q87-D91 WeakPolarHBondContact O-CB 3.47Å; Q87-D91 VanDerWaalsContact O-CG 3.24Å; Q87-D91 PolarHBondContact O-N 2.81Å |
| 88 | H | 93.6 | Very high | 93.7 | Very high | 61 Ų | 61 | 34.7 Ų | 34.7 | 28% | 0.282 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 178.5 | 171.4 | 79.1 | 0 | 0 | 0 | 111.4 | N86 K92 K329 | N86-H88 VanDerWaalsContact C-N 3.26Å; N86-H88 PolarHBondContact O-N 3.36Å; N86-H88 WeakPolarHBondContact OD1-CB 3.32Å; N86-H88 PolarHBondContact OD1-N 3.31Å; H88-K92 WeakPolarHBondContact O-CB 3.35Å; H88-K92 PolarHBondContact O-N 2.83Å; H88-K92 VanDerWaalsContact O-N 3.08Å; H88-K329 PolarHBondContact CE1-O 3.06Å; H88-K329 PolarHBondContact ND1-O 3.23Å |
| 89 | L | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.5 | -37.1 | 176.4 | -64 | 175.2 | 0 | 0 | 0 | 111.6 | F82 L83 N86 K92 V93 T179 I327 | F82-L89 HydrophobicContact CE1-CD1 4.02Å; L83-L89 VanDerWaalsContact CD1-C 3.48Å; L83-L89 HydrophobicContact CD1-CB 3.68Å; N86-L89 HydrophobicContact CB-CB 4.19Å; N86-L89 HydrophobicContact CB-CD1 4.01Å; N86-L89 HydrophobicContact CB-CG 4.25Å; N86-L89 PolarHBondContact O-N 3.34Å; N86-L89 VanDerWaalsContact O-N 3.14Å; N86-L89 PolarHBondContact OD1-N 3.49Å; N86-L89 VanDerWaalsContact OD1-N 3.11Å; L89-K92 WeakPolarHBondContact O-CB 3.37Å; L89-K92 PolarHBondContact O-N 2.78Å; L89-K92 VanDerWaalsContact O-N 3.16Å; L89-V93 WeakPolarHBondContact O-CG2 3.34Å; L89-V93 PolarHBondContact O-N 2.84Å; L89-T179 HydrophobicContact CD1-CG2 3.84Å; L89-I327 HydrophobicContact CD1-CB 4.18Å; L89-I327 HydrophobicContact CD1-CD1 4.28Å; L89-I327 HydrophobicContact CD2-CB 4.35Å; L89-I327 HydrophobicContact CD2-CD1 4.03Å; L89-I327 HydrophobicContact CD2-CG2 4.14Å |
| 90 | L | 95.2 | Very high | 93.1 | Very high | 12 Ų | 12 | 39.4 Ų | 39.4 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.8 | -48.6 | 175.3 | -170.4 | 68.6 | 0 | 0 | 0 | 110.9 | F57 L83 N86 Q87 K92 V93 F94 | F57-L90 HydrophobicContact CE1-CD1 3.94Å; F57-L90 HydrophobicContact CE1-CD2 4.07Å; F57-L90 HydrophobicContact CE1-CG 4.4Å; F57-L90 HydrophobicContact CZ-CD1 3.96Å; F57-L90 HydrophobicContact CZ-CD2 4.28Å; F57-L90 HydrophobicContact CZ-CG 4.27Å; L83-L90 HydrophobicContact CD2-CD1 3.98Å; L83-L90 HydrophobicContact CG-CB 4.45Å; L83-L90 HydrophobicContact CG-CD1 3.78Å; N86-L90 PolarHBondContact O-N 3.18Å; Q87-L90 PolarHBondContact O-N 3.02Å; L90-K92 PolarHBondContact O-N 2.84Å; L90-V93 PolarHBondContact O-N 2.81Å; L90-F94 HydrophobicContact CD1-CD2 3.79Å; L90-F94 HydrophobicContact CD1-CE2 4.05Å; L90-F94 HydrophobicContact CG-CD2 4.45Å; L90-F94 WeakPolarHBondContact O-CA 3.2Å; L90-F94 VanDerWaalsContact O-CB 3.3Å; L90-F94 WeakPolarHBondContact O-CB 3.35Å; L90-F94 PolarHBondContact O-N 2.83Å |
| 91 | D | 95.3 | Very high | 93 | Very high | 70 Ų | 70 | 40.5 Ų | 40.5 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.6 | -26.5 | 176.8 | -67.5 | -19.4 | 0 | 0 | 0 | 112.4 | Q87 F94 P96 | Q87-D91 PolarHBondContact NE2-OD1 3.19Å; Q87-D91 WeakPolarHBondContact O-CB 3.47Å; Q87-D91 VanDerWaalsContact O-CG 3.24Å; Q87-D91 PolarHBondContact O-N 2.81Å; D91-F94 CarbonylContact C-O 3.5Å; D91-F94 CarbonylContact O-C 3.6Å; D91-F94 VanDerWaalsContact O-C 3.24Å; D91-P96 HydrophobicContact CB-CG 4.35Å |
| 92 | K | 95.9 | Very high | 92.7 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 27% | 0.274 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -73.2 | -49.2 | 174.7 | -165.1 | 173.9 | -165.9 | 178.6 | 0 | 111.2 | H88 L89 L90 F94 L113 W120 | H88-K92 WeakPolarHBondContact O-CB 3.35Å; H88-K92 PolarHBondContact O-N 2.83Å; H88-K92 VanDerWaalsContact O-N 3.08Å; L89-K92 WeakPolarHBondContact O-CB 3.37Å; L89-K92 PolarHBondContact O-N 2.78Å; L89-K92 VanDerWaalsContact O-N 3.16Å; L90-K92 PolarHBondContact O-N 2.84Å; K92-F94 VanDerWaalsContact C-N 3.34Å; K92-L113 WeakPolarHBondContact O-CB 3.26Å; K92-L113 WeakPolarHBondContact O-CD1 3.4Å; K92-W120 HydrophobicContact CD-CD2 4.33Å; K92-W120 HydrophobicContact CD-CH2 3.83Å; K92-W120 HydrophobicContact CD-CZ2 3.54Å; K92-W120 HydrophobicContact CD-CZ3 4.35Å; K92-W120 VanDerWaalsContact CE-CZ2 3.42Å; K92-W120 VanDerWaalsContact CE-NE1 3.28Å; K92-W120 HydrophobicContact CG-CD2 4.48Å; K92-W120 HydrophobicContact CG-CE3 4.44Å; K92-W120 HydrophobicContact CG-CH2 4.26Å; K92-W120 HydrophobicContact CG-CZ2 4.34Å; K92-W120 HydrophobicContact CG-CZ3 4.32Å; K92-W120 VanDerWaalsContact NZ-NE1 3.18Å |
| 93 | V | 97.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.7 | -35.8 | 177.9 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | L83 L89 L90 P95 F112 L113 W120 L152 L178 | L83-V93 HydrophobicContact CD1-CB 4.32Å; L83-V93 HydrophobicContact CD1-CG2 3.83Å; L83-V93 HydrophobicContact CD2-CB 4.02Å; L83-V93 HydrophobicContact CD2-CG1 3.94Å; L83-V93 HydrophobicContact CD2-CG2 4.1Å; L89-V93 WeakPolarHBondContact O-CG2 3.34Å; L89-V93 PolarHBondContact O-N 2.84Å; L90-V93 PolarHBondContact O-N 2.81Å; V93-P95 VanDerWaalsContact O-CD 3.32Å; V93-P95 WeakPolarHBondContact O-CD 3.3Å; V93-F112 CarbonylContact O-C 3.57Å; V93-F112 VanDerWaalsContact O-CA 3.25Å; V93-F112 WeakPolarHBondContact O-CA 3.33Å; V93-L113 WeakPolarHBondContact CA-O 3.29Å; V93-L113 PolarHBondContact O-N 2.76Å; V93-W120 HydrophobicContact CG2-CZ3 4.17Å; V93-L152 HydrophobicContact CG1-CD1 3.53Å; V93-L152 HydrophobicContact CG1-CD2 4.45Å; V93-L178 HydrophobicContact CG1-CD2 4.41Å; V93-L178 VanDerWaalsContact CG2-O 3.31Å; V93-L178 WeakPolarHBondContact CG2-O 3.24Å |
| 94 | F | 96.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 4% | 0.039 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -112.6 | 88.4 | 175.6 | -70 | -99.5 | 0 | 0 | 0 | 110.3 | L56 F57 L83 L90 D91 K92 F112 W148 L152 | L56-F94 HydrophobicContact CD2-CD1 4.25Å; F57-F94 AromaticContact CE2-CD1 3.95Å; F57-F94 HydrophobicContact CE2-CD1 3.95Å; F57-F94 HydrophobicContact CE2-CE1 4.3Å; F57-F94 HydrophobicContact CE2-CG 4.19Å; F57-F94 HydrophobicContact CZ-CB 4.47Å; F57-F94 AromaticContact CZ-CD1 3.79Å; F57-F94 HydrophobicContact CZ-CD1 3.79Å; F57-F94 AromaticContact CZ-CD2 3.97Å; F57-F94 HydrophobicContact CZ-CD2 3.97Å; F57-F94 AromaticContact CZ-CE1 3.89Å; F57-F94 HydrophobicContact CZ-CE1 3.89Å; F57-F94 HydrophobicContact CZ-CE2 4.12Å; F57-F94 AromaticContact CZ-CG 3.82Å; F57-F94 HydrophobicContact CZ-CG 3.82Å; F57-F94 HydrophobicContact CZ-CZ 4.09Å; L83-F94 HydrophobicContact CD2-CE2 4.21Å; L90-F94 HydrophobicContact CD1-CD2 3.79Å; L90-F94 HydrophobicContact CD1-CE2 4.05Å; L90-F94 HydrophobicContact CG-CD2 4.45Å; L90-F94 WeakPolarHBondContact O-CA 3.2Å; L90-F94 VanDerWaalsContact O-CB 3.3Å; L90-F94 WeakPolarHBondContact O-CB 3.35Å; L90-F94 PolarHBondContact O-N 2.83Å; D91-F94 CarbonylContact C-O 3.5Å; D91-F94 CarbonylContact O-C 3.6Å; D91-F94 VanDerWaalsContact O-C 3.24Å; K92-F94 VanDerWaalsContact C-N 3.34Å; F94-F112 HydrophobicContact CD1-CD1 4.26Å; F94-F112 AromaticContact CD1-CE1 3.86Å; F94-F112 HydrophobicContact CD1-CE1 3.86Å; F94-F112 AromaticContact CE1-CD1 3.96Å; F94-F112 HydrophobicContact CE1-CD1 3.96Å; F94-F112 AromaticContact CE1-CE1 3.25Å; F94-F112 HydrophobicContact CE1-CE1 3.25Å; F94-F112 HydrophobicContact CE1-CZ 4.11Å; F94-F112 HydrophobicContact CE2-CE1 4.45Å; F94-F112 HydrophobicContact CZ-CD1 4.06Å; F94-F112 AromaticContact CZ-CE1 3.56Å; F94-F112 HydrophobicContact CZ-CE1 3.56Å; F94-W148 HydrophobicContact CE1-CB 3.93Å; F94-W148 AromaticContact CE2-CE3 3.68Å; F94-W148 HydrophobicContact CE2-CE3 3.68Å; F94-W148 HydrophobicContact CE2-CZ3 4.17Å; F94-W148 HydrophobicContact CZ-CB 3.98Å; F94-W148 HydrophobicContact CZ-CD2 4.38Å; F94-W148 AromaticContact CZ-CE3 3.53Å; F94-W148 HydrophobicContact CZ-CE3 3.53Å; F94-W148 HydrophobicContact CZ-CZ3 4.37Å; F94-L152 HydrophobicContact CE2-CD1 4.23Å; F94-L152 HydrophobicContact CE2-CD2 4.07Å; F94-L152 HydrophobicContact CE2-CG 4.49Å; F94-L152 HydrophobicContact CZ-CB 3.91Å; F94-L152 HydrophobicContact CZ-CD1 4.26Å; F94-L152 HydrophobicContact CZ-CD2 4.26Å; F94-L152 HydrophobicContact CZ-CG 4.36Å |
| 95 | P | 94.9 | Very high | 92.3 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 16% | 0.156 | 32% | 0.322 | C | S | . | . | trans | -49.8 | 129 | 178.2 | -29.6 | 35.5 | 0 | 0 | 0 | 111.9 | V93 Q98 L113 | V93-P95 VanDerWaalsContact O-CD 3.32Å; V93-P95 WeakPolarHBondContact O-CD 3.3Å; P95-Q98 WeakPolarHBondContact O-CG 3.07Å; P95-L113 HydrophobicContact CG-CD1 4.35Å; P95-L113 HydrophobicContact CG-CG 4.02Å | ||
| 96 | P | 91.5 | Very high | 92.6 | Very high | 103 Ų | 103 | 52.2 Ų | 52.2 | 67% | 0.669 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 151.6 | -179.4 | -27.5 | 34.9 | 0 | 0 | 0 | 112.8 | D91 | D91-P96 HydrophobicContact CB-CG 4.35Š|
| 97 | G | 89.1 | Confident | 92.7 | Very high | 54 Ų | 54 | 56.3 Ų | 56.3 | 56% | 0.557 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 12.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 98 | Q | 91.7 | Very high | 92.8 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 138.9 | 168.6 | -55 | -143.6 | 54.4 | 0 | 0 | 110.7 | L56 P95 F110 R111 | L56-Q98 HydrophobicContact CD2-CB 4.34Å; P95-Q98 WeakPolarHBondContact O-CG 3.07Å; Q98-F110 HydrophobicContact CB-CD1 4.45Å; Q98-F110 VanDerWaalsContact OE1-CA 3.29Å; Q98-R111 PolarHBondContact NE2-O 2.95Å; Q98-R111 PolarHBondContact OE1-O 2.89Å |
| 99 | P | 88.3 | Confident | 92.9 | Very high | 20 Ų | 20 | 49.3 Ų | 49.3 | 13% | 0.13 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 140.4 | -178 | 28.9 | -34.2 | 0 | 0 | 0 | 111 | R105 | P99-R105 HydrophobicContact CB-CB 4.16Š|
| 100 | Q | 90.1 | Very high | 93 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 40% | 0.397 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 151.6 | 168 | -63 | -61.1 | -46.1 | 0 | 0 | 109.9 | S103 | Q100-S103 WeakPolarHBondContact O-CB 3.46Å; Q100-S103 PolarHBondContact O-N 2.82Å; Q100-S103 VanDerWaalsContact O-N 3.1Å |
| 101 | W | 93.1 | Very high | 93.1 | Very high | 23 Ų | 23 | 53.7 Ų | 53.7 | 9% | 0.087 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 140.4 | 169.8 | -66.3 | -83.7 | 0 | 0 | 0 | 110.8 | P47 Q48 P54 L56 S103 Y106 F110 D127 F147 L151 | P47-W101 HydrophobicContact CB-CD2 4.37Å; P47-W101 HydrophobicContact CB-CZ2 3.92Å; P47-W101 HydrophobicContact CG-CH2 4.4Å; P47-W101 HydrophobicContact CG-CZ2 3.52Å; Q48-W101 VanDerWaalsContact OE1-CD1 3.29Å; P54-W101 HydrophobicContact CB-CB 4.41Å; P54-W101 HydrophobicContact CB-CD2 3.83Å; P54-W101 HydrophobicContact CB-CE3 4Å; P54-W101 HydrophobicContact CB-CG 4.02Å; P54-W101 HydrophobicContact CG-CB 3.64Å; P54-W101 HydrophobicContact CG-CD2 3.95Å; P54-W101 HydrophobicContact CG-CE3 4.46Å; P54-W101 HydrophobicContact CG-CG 3.57Å; L56-W101 HydrophobicContact CB-CZ3 4.07Å; L56-W101 HydrophobicContact CD1-CH2 4.17Å; L56-W101 HydrophobicContact CD1-CZ3 4.44Å; W101-S103 VanDerWaalsContact C-N 3.25Å; W101-S103 PolarHBondContact O-N 2.77Å; W101-Y106 AromaticContact CD1-CD2 3.98Å; W101-Y106 AromaticContact CD1-CE2 3.35Å; W101-Y106 AromaticContact CD1-CZ 3.68Å; W101-Y106 HydrophobicContact CG-CD2 4.47Å; W101-Y106 HydrophobicContact CG-CE2 4.21Å; W101-Y106 AromaticContact NE1-CE2 3.43Å; W101-Y106 AromaticContact NE1-CZ 3.86Å; W101-F110 HydrophobicContact CD2-CZ 4.45Å; W101-F110 AromaticContact CE2-CZ 3.83Å; W101-F110 AromaticContact CH2-CE1 4Å; W101-F110 HydrophobicContact CH2-CE1 4Å; W101-F110 HydrophobicContact CH2-CE2 4.21Å; W101-F110 AromaticContact CH2-CZ 3.53Å; W101-F110 HydrophobicContact CH2-CZ 3.53Å; W101-F110 HydrophobicContact CZ2-CE1 4.24Å; W101-F110 AromaticContact CZ2-CE2 3.66Å; W101-F110 HydrophobicContact CZ2-CE2 3.66Å; W101-F110 AromaticContact CZ2-CZ 3.34Å; W101-F110 HydrophobicContact CZ2-CZ 3.34Å; W101-F110 HydrophobicContact CZ3-CE1 4.44Å; W101-F110 HydrophobicContact CZ3-CZ 4.13Å; W101-D127 HydrophobicContact CZ2-CB 4.37Å; W101-D127 PolarHBondContact NE1-OD2 3.13Å; W101-F147 HydrophobicContact CH2-CB 4.02Å; W101-L151 HydrophobicContact CH2-CD1 3.76Å; W101-L151 HydrophobicContact CZ2-CD1 4.04Å |
| 102 | G | 87.1 | Confident | 93.3 | Very high | 81 Ų | 81 | 50.4 Ų | 50.4 | 84% | 0.835 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -8.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 103 | S | 89.9 | Confident | 93.4 | Very high | 44 Ų | 44 | 49.4 Ų | 49.4 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -74.5 | 147.3 | 172 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | Q100 W101 R105 Y106 | Q100-S103 WeakPolarHBondContact O-CB 3.46Å; Q100-S103 PolarHBondContact O-N 2.82Å; Q100-S103 VanDerWaalsContact O-N 3.1Å; W101-S103 VanDerWaalsContact C-N 3.25Å; W101-S103 PolarHBondContact O-N 2.77Å; S103-R105 PolarHBondContact O-N 2.78Å; S103-R105 VanDerWaalsContact O-N 3.12Å; S103-R105 PolarHBondContact OG-N 3.28Å; S103-Y106 VanDerWaalsContact O-CB 3.24Å; S103-Y106 WeakPolarHBondContact O-CB 3.35Å; S103-Y106 PolarHBondContact O-N 3.13Å |
| 104 | S | 88.6 | Confident | 93.4 | Very high | 107 Ų | 107 | 49.4 Ų | 49.4 | 75% | 0.748 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -19.3 | 171.2 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | R107 | S104-R107 PolarHBondContact O-NH1 2.75Å; S104-R107 PolarHBondContact O-NH2 2.79Å |
| 105 | R | 90.6 | Very high | 93.4 | Very high | 161 Ų | 161 | 49.4 Ų | 49.4 | 61% | 0.608 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -7.6 | 175.5 | -61 | -166.6 | -61.6 | 178 | 2.4 | 113.8 | P99 S103 R107 | P99-R105 HydrophobicContact CB-CB 4.16Å; S103-R105 PolarHBondContact O-N 2.78Å; S103-R105 VanDerWaalsContact O-N 3.12Å; S103-R105 PolarHBondContact OG-N 3.28Å; R105-R107 PolarHBondContact O-N 2.98Å |
| 106 | Y | 94.6 | Very high | 93.1 | Very high | 20 Ų | 20 | 49.7 Ų | 49.7 | 8% | 0.078 | 28% | 0.282 | C | S | . | . | trans | -66 | 127.3 | 179.8 | 173.3 | -99.5 | 0 | 0 | 0 | 110.9 | L14 Q48 W101 S103 G108 F110 D127 | L14-Y106 HydrophobicContact CD1-CE1 4.22Å; L14-Y106 HydrophobicContact CD2-CD1 4Å; L14-Y106 HydrophobicContact CD2-CE1 3.51Å; Q48-Y106 VanDerWaalsContact NE2-CZ 3.3Å; Q48-Y106 PolarHBondContact NE2-OH 3.39Å; Q48-Y106 PolarHBondContact OE1-OH 3.14Å; W101-Y106 AromaticContact CD1-CD2 3.98Å; W101-Y106 AromaticContact CD1-CE2 3.35Å; W101-Y106 AromaticContact CD1-CZ 3.68Å; W101-Y106 HydrophobicContact CG-CD2 4.47Å; W101-Y106 HydrophobicContact CG-CE2 4.21Å; W101-Y106 AromaticContact NE1-CE2 3.43Å; W101-Y106 AromaticContact NE1-CZ 3.86Å; S103-Y106 VanDerWaalsContact O-CB 3.24Å; S103-Y106 WeakPolarHBondContact O-CB 3.35Å; S103-Y106 PolarHBondContact O-N 3.13Å; Y106-G108 VanDerWaalsContact CZ-CA 3.47Å; Y106-F110 HydrophobicContact CE2-CE2 4.31Å; Y106-F110 HydrophobicContact CE2-CZ 4.49Å; Y106-D127 VanDerWaalsContact CE2-OD2 3.25Å; Y106-D127 WeakPolarHBondContact CE2-OD2 3.07Å; Y106-D127 VanDerWaalsContact CZ-OD2 3.3Å; Y106-D127 VanDerWaalsContact OH-CG 3.31Å; Y106-D127 PolarHBondContact OH-OD1 3.25Å; Y106-D127 PolarHBondContact OH-OD2 3.07Å | ||
| 107 | R | 94.3 | Very high | 92.7 | Very high | 112 Ų | 112 | 48.4 Ų | 48.4 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | trans | -131.6 | 14.5 | 176.9 | -64.5 | -65.6 | 179.7 | -79.5 | -2.4 | 112.2 | F15 S104 R105 S109 | F15-R107 WeakPolarHBondContact CB-O 3.23Å; F15-R107 PolarHBondContact N-O 2.91Å; S104-R107 PolarHBondContact O-NH1 2.75Å; S104-R107 PolarHBondContact O-NH2 2.79Å; R105-R107 PolarHBondContact O-N 2.98Å; R107-S109 VanDerWaalsContact C-N 3.26Å; R107-S109 PolarHBondContact O-N 2.81Å | ||
| 108 | G | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 64 | 28.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R46 Y106 D126 D127 | R46-G108 PolarHBondContact NH1-O 2.78Å; Y106-G108 VanDerWaalsContact CZ-CA 3.47Å; G108-D126 WeakPolarHBondContact O-CA 3.25Å; G108-D126 WeakPolarHBondContact O-CB 3.27Å; G108-D127 PolarHBondContact O-N 3.39Å |
| 109 | S | 95.6 | Very high | 92.7 | Very high | 28 Ų | 28 | 51.2 Ų | 51.2 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.4 | -177.1 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | R107 T124 | R107-S109 VanDerWaalsContact C-N 3.26Å; R107-S109 PolarHBondContact O-N 2.81Å; S109-T124 VanDerWaalsContact OG-CG2 3.3Å; S109-T124 WeakPolarHBondContact OG-CG2 3.39Å |
| 110 | F | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 142.6 | -179.8 | -68.2 | -93.6 | 0 | 0 | 0 | 110 | L56 Q98 W101 Y106 F112 T124 V125 D127 L151 | L56-F110 HydrophobicContact CD1-CD1 4.13Å; L56-F110 HydrophobicContact CD1-CE1 4.02Å; Q98-F110 HydrophobicContact CB-CD1 4.45Å; Q98-F110 VanDerWaalsContact OE1-CA 3.29Å; W101-F110 HydrophobicContact CD2-CZ 4.45Å; W101-F110 AromaticContact CE2-CZ 3.83Å; W101-F110 AromaticContact CH2-CE1 4Å; W101-F110 HydrophobicContact CH2-CE1 4Å; W101-F110 HydrophobicContact CH2-CE2 4.21Å; W101-F110 AromaticContact CH2-CZ 3.53Å; W101-F110 HydrophobicContact CH2-CZ 3.53Å; W101-F110 HydrophobicContact CZ2-CE1 4.24Å; W101-F110 AromaticContact CZ2-CE2 3.66Å; W101-F110 HydrophobicContact CZ2-CE2 3.66Å; W101-F110 AromaticContact CZ2-CZ 3.34Å; W101-F110 HydrophobicContact CZ2-CZ 3.34Å; W101-F110 HydrophobicContact CZ3-CE1 4.44Å; W101-F110 HydrophobicContact CZ3-CZ 4.13Å; Y106-F110 HydrophobicContact CE2-CE2 4.31Å; Y106-F110 HydrophobicContact CE2-CZ 4.49Å; F110-F112 HydrophobicContact CB-CE2 3.72Å; F110-F112 HydrophobicContact CB-CZ 4.12Å; F110-T124 WeakPolarHBondContact O-CA 3.42Å; F110-V125 PolarHBondContact N-O 3.05Å; F110-V125 PolarHBondContact O-N 3.2Å; F110-D127 HydrophobicContact CD2-CB 3.84Å; F110-D127 HydrophobicContact CE2-CB 3.63Å; F110-L151 HydrophobicContact CD1-CD1 4.25Å; F110-L151 HydrophobicContact CD2-CD1 4.12Å; F110-L151 HydrophobicContact CE1-CD1 4.41Å; F110-L151 HydrophobicContact CE2-CD1 4.29Å; F110-L151 HydrophobicContact CG-CD1 4.1Å; F110-L151 HydrophobicContact CZ-CD1 4.43Å |
| 111 | R | 97.6 | Very high | 93.2 | Very high | 105 Ų | 105 | 52.2 Ų | 52.2 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 143.9 | -177.1 | -61 | -165.1 | -61 | -80.2 | -5.6 | 110.9 | Q98 E122 V123 T124 | Q98-R111 PolarHBondContact NE2-O 2.95Å; Q98-R111 PolarHBondContact OE1-O 2.89Å; R111-E122 IonicContact NE-OE2 3.95Å; R111-V123 CarbonylContact C-O 3.52Å; R111-V123 WeakPolarHBondContact CA-O 3.29Å; R111-T124 HydrophobicContact CG-CG2 4.29Å |
| 112 | F | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144 | -178.9 | -59.6 | -93.4 | 0 | 0 | 0 | 109.3 | V93 F94 F110 E122 V123 V125 L151 L152 A155 | V93-F112 CarbonylContact O-C 3.57Å; V93-F112 VanDerWaalsContact O-CA 3.25Å; V93-F112 WeakPolarHBondContact O-CA 3.33Å; F94-F112 HydrophobicContact CD1-CD1 4.26Å; F94-F112 AromaticContact CD1-CE1 3.86Å; F94-F112 HydrophobicContact CD1-CE1 3.86Å; F94-F112 AromaticContact CE1-CD1 3.96Å; F94-F112 HydrophobicContact CE1-CD1 3.96Å; F94-F112 AromaticContact CE1-CE1 3.25Å; F94-F112 HydrophobicContact CE1-CE1 3.25Å; F94-F112 HydrophobicContact CE1-CZ 4.11Å; F94-F112 HydrophobicContact CE2-CE1 4.45Å; F94-F112 HydrophobicContact CZ-CD1 4.06Å; F94-F112 AromaticContact CZ-CE1 3.56Å; F94-F112 HydrophobicContact CZ-CE1 3.56Å; F110-F112 HydrophobicContact CB-CE2 3.72Å; F110-F112 HydrophobicContact CB-CZ 4.12Å; F112-E122 CarbonylContact O-C 3.5Å; F112-E122 WeakPolarHBondContact O-CA 3.46Å; F112-V123 PolarHBondContact N-O 3.47Å; F112-V123 PolarHBondContact O-N 2.72Å; F112-V125 HydrophobicContact CD2-CG2 4.15Å; F112-V125 HydrophobicContact CE2-CG2 3.61Å; F112-L151 HydrophobicContact CE1-CB 4.45Å; F112-L151 HydrophobicContact CE2-CB 4.38Å; F112-L151 HydrophobicContact CZ-CB 3.62Å; F112-L152 HydrophobicContact CD1-CB 4.33Å; F112-L152 HydrophobicContact CD1-CD1 3.45Å; F112-L152 VanDerWaalsContact CD1-CD1 3.45Å; F112-L152 HydrophobicContact CD1-CG 4.49Å; F112-L152 HydrophobicContact CE1-CB 3.96Å; F112-L152 HydrophobicContact CE1-CD1 3.97Å; F112-L152 HydrophobicContact CG-CD1 4.27Å; F112-A155 HydrophobicContact CB-CB 4.11Å; F112-A155 HydrophobicContact CD1-CB 4.44Å; F112-A155 HydrophobicContact CD2-CB 3.49Å; F112-A155 VanDerWaalsContact CD2-CB 3.49Å; F112-A155 HydrophobicContact CE2-CB 4.06Å; F112-A155 HydrophobicContact CG-CB 3.75Å |
| 113 | L | 98.3 | Very high | 94 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 22% | 0.22 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 117.4 | 166.7 | -57.7 | -177.8 | 0 | 0 | 0 | 108.9 | K92 V93 P95 W120 T121 E122 | K92-L113 WeakPolarHBondContact O-CB 3.26Å; K92-L113 WeakPolarHBondContact O-CD1 3.4Å; V93-L113 WeakPolarHBondContact CA-O 3.29Å; V93-L113 PolarHBondContact O-N 2.76Å; P95-L113 HydrophobicContact CG-CD1 4.35Å; P95-L113 HydrophobicContact CG-CG 4.02Å; L113-W120 HydrophobicContact CB-CE3 3.87Å; L113-W120 WeakPolarHBondContact O-CZ3 3.28Å; L113-T121 WeakPolarHBondContact CA-O 3.3Å; L113-E122 HydrophobicContact CD2-CB 3.73Å; L113-E122 HydrophobicContact CD2-CG 4.06Å |
| 114 | I | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.6 | 177.1 | -61.3 | 161.9 | 0 | 0 | 0 | 107.8 | Q116 T121 V123 A155 Y156 L159 D177 | I114-Q116 PolarHBondContact O-N 2.89Å; I114-T121 PolarHBondContact N-O 2.66Å; I114-T121 WeakPolarHBondContact O-CB 3.35Å; I114-T121 PolarHBondContact O-N 3.42Å; I114-V123 HydrophobicContact CD1-CG2 4.17Å; I114-A155 HydrophobicContact CD1-CB 4.29Å; I114-Y156 HydrophobicContact CD1-CD2 4.18Å; I114-Y156 HydrophobicContact CG2-CD2 4.21Å; I114-Y156 HydrophobicContact CG2-CE2 4.27Å; I114-L159 HydrophobicContact CB-CD2 3.97Å; I114-L159 HydrophobicContact CD1-CD2 4.15Å; I114-L159 HydrophobicContact CG2-CD2 3.56Å; I114-D177 HydrophobicContact CG2-CB 4.09Å |
| 115 | W | 96.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 127.3 | 179.4 | -171.8 | 93.4 | 0 | 0 | 0 | 110.1 | G118 H119 W120 V176 D177 G180 L388 L480 R482 | W115-G118 VanDerWaalsContact CH2-N 3.33Å; W115-H119 WeakPolarHBondContact CA-O 3.39Å; W115-W120 HydrophobicContact CB-CD2 4.18Å; W115-W120 HydrophobicContact CB-CE3 4.1Å; W115-W120 HydrophobicContact CB-CH2 4.2Å; W115-W120 HydrophobicContact CB-CZ2 4.23Å; W115-W120 HydrophobicContact CB-CZ3 4.12Å; W115-W120 AromaticContact CD1-CE2 3.85Å; W115-W120 AromaticContact CD1-NE1 3.72Å; W115-V176 HydrophobicContact CE3-CG1 3.71Å; W115-V176 HydrophobicContact CH2-CG1 4.19Å; W115-V176 HydrophobicContact CZ3-CG1 3.45Å; W115-V176 VanDerWaalsContact CZ3-CG1 3.45Å; W115-D177 WeakPolarHBondContact CA-O 3.47Å; W115-D177 VanDerWaalsContact CB-O 3.31Å; W115-D177 WeakPolarHBondContact CB-O 3.33Å; W115-D177 PolarHBondContact N-O 3Å; W115-D177 WeakPolarHBondContact O-CA 3.23Å; W115-G180 VanDerWaalsContact CG-CA 3.44Å; W115-L388 HydrophobicContact CH2-CD1 3.84Å; W115-L388 HydrophobicContact CZ3-CD1 3.84Å; W115-L480 HydrophobicContact CH2-CD2 4.21Å; W115-L480 HydrophobicContact CZ2-CD2 4.24Å; W115-R482 VanDerWaalsContact CZ2-NH1 3.33Å |
| 116 | Q | 89.8 | Confident | 95.1 | Very high | 31 Ų | 31 | 40 Ų | 40 | 15% | 0.145 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 121.4 | 176.3 | -69.6 | -63.3 | -55.4 | 0 | 0 | 109.5 | I114 G118 H119 L159 D177 | I114-Q116 PolarHBondContact O-N 2.89Å; Q116-G118 PolarHBondContact O-N 2.97Å; Q116-H119 PolarHBondContact N-O 3.44Å; Q116-H119 PolarHBondContact O-N 2.83Å; Q116-H119 VanDerWaalsContact O-O 3.11Å; Q116-L159 HydrophobicContact CG-CD1 4.21Å; Q116-L159 HydrophobicContact CG-CD2 3.69Å; Q116-L159 HydrophobicContact CG-CG 4.33Å; Q116-D177 PolarHBondContact NE2-OD2 2.84Å |
| 117 | Q | 83 | Confident | 95.2 | Very high | 76 Ų | 76 | 39 Ų | 39 | 36% | 0.355 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 39.4 | 164.4 | -54.7 | 170.4 | 18.8 | 0 | 0 | 113.9 | H119 H390 | Q117-H119 PolarHBondContact O-ND1 2.97Å; Q117-H390 PolarHBondContact OE1-CD2 2.87Å; Q117-H390 PolarHBondContact OE1-NE2 2.64Å |
| 118 | G | 87.7 | Confident | 95.4 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 8% | 0.082 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.4 | -7.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | W115 Q116 Q347 | W115-G118 VanDerWaalsContact CH2-N 3.33Å; Q116-G118 PolarHBondContact O-N 2.97Å; G118-Q347 PolarHBondContact O-NE2 2.84Å; G118-Q347 PolarHBondContact O-OE1 3.24Å |
| 119 | H | 91.8 | Very high | 95.5 | Very high | 123 Ų | 123 | 35 Ų | 35 | 57% | 0.569 | 17% | 0.167 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 146.7 | -171.9 | -49.5 | 88.5 | 0 | 0 | 0 | 111.8 | W115 Q116 Q117 T121 | W115-H119 WeakPolarHBondContact CA-O 3.39Å; Q116-H119 PolarHBondContact N-O 3.44Å; Q116-H119 PolarHBondContact O-N 2.83Å; Q116-H119 VanDerWaalsContact O-O 3.11Å; Q117-H119 PolarHBondContact O-ND1 2.97Å; H119-T121 PolarHBondContact O-N 3.3Å |
| 120 | W | 95.1 | Very high | 95.6 | Very high | 72 Ų | 72 | 33.8 Ų | 33.8 | 27% | 0.273 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 119.6 | 171.1 | -69.6 | 90.3 | 0 | 0 | 0 | 109.1 | K92 V93 L113 W115 T179 | K92-W120 HydrophobicContact CD-CD2 4.33Å; K92-W120 HydrophobicContact CD-CH2 3.83Å; K92-W120 HydrophobicContact CD-CZ2 3.54Å; K92-W120 HydrophobicContact CD-CZ3 4.35Å; K92-W120 VanDerWaalsContact CE-CZ2 3.42Å; K92-W120 VanDerWaalsContact CE-NE1 3.28Å; K92-W120 HydrophobicContact CG-CD2 4.48Å; K92-W120 HydrophobicContact CG-CE3 4.44Å; K92-W120 HydrophobicContact CG-CH2 4.26Å; K92-W120 HydrophobicContact CG-CZ2 4.34Å; K92-W120 HydrophobicContact CG-CZ3 4.32Å; K92-W120 VanDerWaalsContact NZ-NE1 3.18Å; V93-W120 HydrophobicContact CG2-CZ3 4.17Å; L113-W120 HydrophobicContact CB-CE3 3.87Å; L113-W120 WeakPolarHBondContact O-CZ3 3.28Å; W115-W120 HydrophobicContact CB-CD2 4.18Å; W115-W120 HydrophobicContact CB-CE3 4.1Å; W115-W120 HydrophobicContact CB-CH2 4.2Å; W115-W120 HydrophobicContact CB-CZ2 4.23Å; W115-W120 HydrophobicContact CB-CZ3 4.12Å; W115-W120 AromaticContact CD1-CE2 3.85Å; W115-W120 AromaticContact CD1-NE1 3.72Å; W120-T179 WeakPolarHBondContact CZ2-O 3.25Å |
| 121 | T | 95.9 | Very high | 95.5 | Very high | 54 Ų | 54 | 33.8 Ų | 33.8 | 33% | 0.331 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.8 | -179 | -57.2 | 0 | 0 | 0 | 0 | 108.8 | L113 I114 H119 | L113-T121 WeakPolarHBondContact CA-O 3.3Å; I114-T121 PolarHBondContact N-O 2.66Å; I114-T121 WeakPolarHBondContact O-CB 3.35Å; I114-T121 PolarHBondContact O-N 3.42Å; H119-T121 PolarHBondContact O-N 3.3Å |
| 122 | E | 97.4 | Very high | 95.2 | Very high | 115 Ų | 115 | 30.7 Ų | 30.7 | 54% | 0.537 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 126.3 | 173 | -171.4 | 175.9 | 93.7 | 0 | 0 | 110.3 | R111 F112 L113 | R111-E122 IonicContact NE-OE2 3.95Å; F112-E122 CarbonylContact O-C 3.5Å; F112-E122 WeakPolarHBondContact O-CA 3.46Å; L113-E122 HydrophobicContact CD2-CB 3.73Å; L113-E122 HydrophobicContact CD2-CG 4.06Å |
| 123 | V | 97.8 | Very high | 94.7 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 6% | 0.061 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.6 | 174.1 | -174.4 | 0 | 0 | 0 | 0 | 107.8 | R111 F112 I114 V125 A155 K158 L159 | R111-V123 CarbonylContact C-O 3.52Å; R111-V123 WeakPolarHBondContact CA-O 3.29Å; F112-V123 PolarHBondContact N-O 3.47Å; F112-V123 PolarHBondContact O-N 2.72Å; I114-V123 HydrophobicContact CD1-CG2 4.17Å; V123-V125 HydrophobicContact CG1-CG1 4.3Å; V123-A155 HydrophobicContact CB-CB 4.38Å; V123-A155 HydrophobicContact CG1-CB 3.99Å; V123-K158 HydrophobicContact CG1-CB 4.47Å; V123-K158 HydrophobicContact CG1-CD 3.94Å; V123-K158 HydrophobicContact CG1-CG 4.31Å; V123-L159 HydrophobicContact CG2-CD1 4.16Å |
| 124 | T | 97.5 | Very high | 94 | Very high | 34 Ų | 34 | 38.3 Ų | 38.3 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132 | 173.4 | -60 | 0 | 0 | 0 | 0 | 108.9 | F15 S109 F110 R111 K158 | F15-T124 HydrophobicContact CE1-CG2 3.93Å; F15-T124 HydrophobicContact CZ-CG2 4.08Å; S109-T124 VanDerWaalsContact OG-CG2 3.3Å; S109-T124 WeakPolarHBondContact OG-CG2 3.39Å; F110-T124 WeakPolarHBondContact O-CA 3.42Å; R111-T124 HydrophobicContact CG-CG2 4.29Å; T124-K158 PolarHBondContact O-NZ 2.85Å |
| 125 | V | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 151.8 | 174.4 | -65.4 | 0 | 0 | 0 | 0 | 110.6 | D17 F110 F112 V123 K154 A155 K158 | D17-V125 WeakPolarHBondContact OD2-CA 3.3Å; F110-V125 PolarHBondContact N-O 3.05Å; F110-V125 PolarHBondContact O-N 3.2Å; F112-V125 HydrophobicContact CD2-CG2 4.15Å; F112-V125 HydrophobicContact CE2-CG2 3.61Å; V123-V125 HydrophobicContact CG1-CG1 4.3Å; V125-K154 HydrophobicContact CB-CD 4.26Å; V125-K154 HydrophobicContact CG1-CG 4.34Å; V125-A155 HydrophobicContact CG1-CB 4.08Å; V125-A155 HydrophobicContact CG2-CB 4.38Å; V125-K158 HydrophobicContact CG1-CB 4.36Å; V125-K158 HydrophobicContact CG1-CD 3.79Å |
| 126 | D | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 163.6 | 161.4 | 73.3 | 58 | 0 | 0 | 0 | 111.4 | F15 D17 G108 R128 K154 | F15-D126 HydrophobicContact CD1-CB 3.64Å; F15-D126 HydrophobicContact CE1-CB 4.14Å; F15-D126 WeakPolarHBondContact O-CB 3.33Å; D17-D126 HydrophobicContact CB-CB 4.29Å; D17-D126 VanDerWaalsContact CB-OD2 3.26Å; D17-D126 WeakPolarHBondContact CB-OD2 3.3Å; D17-D126 PolarHBondContact N-OD2 3.49Å; G108-D126 WeakPolarHBondContact O-CA 3.25Å; G108-D126 WeakPolarHBondContact O-CB 3.27Å; D126-R128 WeakPolarHBondContact OD1-CB 3.44Å; D126-R128 WeakPolarHBondContact OD1-CG 3.22Å; D126-R128 PolarHBondContact OD1-N 2.77Å; D126-R128 IonicContact OD1-NE 2.65Å; D126-R128 PolarHBondContact OD1-NE 2.67Å; D126-R128 IonicContact OD2-CZ 2.8Å; D126-R128 VanDerWaalsContact OD2-CZ 3.32Å; D126-R128 IonicContact OD2-NE 2.88Å; D126-R128 PolarHBondContact OD2-NE 3.17Å; D126-R128 VanDerWaalsContact OD2-NE 3.15Å; D126-R128 IonicContact OD2-NH2 3.32Å; D126-R128 PolarHBondContact OD2-NH2 3.41Å; D126-K154 PolarHBondContact O-NZ 3.46Å; D126-K154 IonicContact OD1-NZ 2.72Å; D126-K154 PolarHBondContact OD1-NZ 2.99Å; D126-K154 IonicContact OD2-NZ 3.66Å |
| 127 | D | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -90.5 | 15.2 | -178.4 | 68.8 | -7.3 | 0 | 0 | 0 | 115.4 | R46 P47 W101 Y106 G108 F110 L129 L151 | R46-D127 VanDerWaalsContact CD-OD1 3.31Å; R46-D127 WeakPolarHBondContact CD-OD1 3.49Å; R46-D127 WeakPolarHBondContact CG-OD1 3.29Å; R46-D127 IonicContact CZ-OD1 3.61Å; R46-D127 IonicContact NE-OD1 3Å; R46-D127 IonicContact NH1-OD1 3.22Å; R46-D127 PolarHBondContact NH1-OD1 3.03Å; P47-D127 WeakPolarHBondContact CD-O 3.19Å; P47-D127 HydrophobicContact CG-CB 4.48Å; W101-D127 HydrophobicContact CZ2-CB 4.37Å; W101-D127 PolarHBondContact NE1-OD2 3.13Å; Y106-D127 VanDerWaalsContact CE2-OD2 3.25Å; Y106-D127 WeakPolarHBondContact CE2-OD2 3.07Å; Y106-D127 VanDerWaalsContact CZ-OD2 3.3Å; Y106-D127 VanDerWaalsContact OH-CG 3.31Å; Y106-D127 PolarHBondContact OH-OD1 3.25Å; Y106-D127 PolarHBondContact OH-OD2 3.07Å; G108-D127 PolarHBondContact O-N 3.39Å; F110-D127 HydrophobicContact CD2-CB 3.84Å; F110-D127 HydrophobicContact CE2-CB 3.63Å; D127-L129 PolarHBondContact O-N 3.03Å; D127-L151 HydrophobicContact CB-CD2 3.81Å |
| 128 | R | 97.5 | Very high | 94.4 | Very high | 25 Ų | 25 | 38.3 Ų | 38.3 | 9% | 0.094 | 20% | 0.203 | C | C | . | . | trans | -72 | 124.9 | 170.3 | -61.1 | 173.4 | -71.1 | -168.6 | 2.5 | 109.1 | E16 I22 W44 R45 R46 D126 K154 | E16-R128 IonicContact OE1-NH1 2.74Å; E16-R128 IonicContact OE2-NH1 3.78Å; I22-R128 HydrophobicContact CG2-CB 4.08Å; W44-R128 HydrophobicContact CB-CB 4.3Å; W44-R128 HydrophobicContact CE3-CB 4.19Å; W44-R128 WeakPolarHBondContact CZ3-O 3.19Å; R45-R128 CarbonylContact O-C 3.56Å; R45-R128 WeakPolarHBondContact O-CA 3.39Å; R46-R128 HydrophobicContact CG-CG 3.73Å; D126-R128 WeakPolarHBondContact OD1-CB 3.44Å; D126-R128 WeakPolarHBondContact OD1-CG 3.22Å; D126-R128 PolarHBondContact OD1-N 2.77Å; D126-R128 IonicContact OD1-NE 2.65Å; D126-R128 PolarHBondContact OD1-NE 2.67Å; D126-R128 IonicContact OD2-CZ 2.8Å; D126-R128 VanDerWaalsContact OD2-CZ 3.32Å; D126-R128 IonicContact OD2-NE 2.88Å; D126-R128 PolarHBondContact OD2-NE 3.17Å; D126-R128 VanDerWaalsContact OD2-NE 3.15Å; D126-R128 IonicContact OD2-NH2 3.32Å; D126-R128 PolarHBondContact OD2-NH2 3.41Å; R128-K154 WeakPolarHBondContact O-CE 3.18Å; R128-K154 PolarHBondContact O-NZ 3.33Å | ||
| 129 | L | 98.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 145.4 | -176 | -67.7 | 168.6 | 0 | 0 | 0 | 111.1 | W44 R45 P47 D127 C131 L136 F147 A150 L151 K154 | W44-L129 WeakPolarHBondContact CA-O 3.28Å; R45-L129 PolarHBondContact N-O 2.82Å; R45-L129 PolarHBondContact O-N 2.97Å; P47-L129 HydrophobicContact CG-CD1 4.36Å; D127-L129 PolarHBondContact O-N 3.03Å; L129-C131 PolarHBondContact O-N 3.42Å; L129-L136 HydrophobicContact CB-CD2 3.61Å; L129-L136 HydrophobicContact CD1-CD2 3.76Å; L129-L136 HydrophobicContact CG-CD2 4.29Å; L129-F147 HydrophobicContact CD1-CD1 3.72Å; L129-F147 HydrophobicContact CD1-CE1 4.37Å; L129-A150 HydrophobicContact CD1-CB 3.79Å; L129-A150 HydrophobicContact CD2-CB 3.99Å; L129-L151 HydrophobicContact CD1-CD2 4.41Å; L129-L151 HydrophobicContact CD2-CD2 4.1Å; L129-L151 HydrophobicContact CG-CD2 4.37Å; L129-K154 HydrophobicContact CD2-CB 4.41Å; L129-K154 HydrophobicContact CD2-CD 4.31Å |
| 130 | P | 96.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 125.2 | 175.1 | -26.2 | 38.1 | 0 | 0 | 0 | 112.9 | L27 I42 T43 W44 C137 F138 Y163 | L27-P130 HydrophobicContact CD2-CB 4Å; L27-P130 HydrophobicContact CD2-CG 3.69Å; I42-P130 HydrophobicContact CG2-CB 3.73Å; T43-P130 CarbonylContact O-C 3.41Å; W44-P130 HydrophobicContact CD2-CG 4.47Å; W44-P130 HydrophobicContact CE3-CG 4.14Å; W44-P130 HydrophobicContact CH2-CG 3.93Å; W44-P130 HydrophobicContact CZ2-CG 4.24Å; W44-P130 HydrophobicContact CZ3-CG 3.86Å; P130-C137 HydrophobicContact CB-CB 4.3Å; P130-C137 PolarHBondContact O-N 2.92Å; P130-F138 HydrophobicContact CB-CD2 3.92Å; P130-F138 HydrophobicContact CB-CE2 3.73Å; P130-F138 HydrophobicContact CG-CD2 3.85Å; P130-F138 HydrophobicContact CG-CE2 3.67Å; P130-Y163 HydrophobicContact CG-CD2 4.36Å; P130-Y163 HydrophobicContact CG-CE2 3.71Å |
| 131 | C | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 140.7 | -176 | -67.8 | 0 | 0 | 0 | 0 | 113.2 | T43 R45 L129 C135 C137 | T43-C131 PolarHBondContact N-O 2.89Å; T43-C131 PolarHBondContact O-N 2.79Å; T43-C131 PolarHBondContact OG1-O 3.2Å; R45-C131 HydrophobicContact CG-CB 4.34Å; L129-C131 PolarHBondContact O-N 3.42Å; C131-C135 CarbonylContact C-O 3.45Å; C131-C135 WeakPolarHBondContact CA-O 3.41Å; C131-C135 WeakPolarHBondContact CB-O 3.06Å; C131-C137 VanDerWaalsContact CA-SG 3.52Å |
| 132 | M | 92.5 | Very high | 94.5 | Very high | 39 Ų | 39 | 34 Ų | 34 | 19% | 0.192 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.3 | 165.5 | -76.1 | -175.3 | -52.9 | 0 | 0 | 108 | L38 E41 I42 L70 S134 C135 C137 | L38-M132 HydrophobicContact CD1-CE 4.43Å; L38-M132 HydrophobicContact CD2-CE 4.21Å; L38-M132 HydrophobicContact CD2-SD 4.01Å; E41-M132 HydrophobicContact CB-CG 4.49Å; E41-M132 HydrophobicContact CB-SD 4.06Å; I42-M132 HydrophobicContact CG1-CG 4.23Å; I42-M132 HydrophobicContact CG1-SD 4.47Å; L70-M132 HydrophobicContact CD1-CE 3.16Å; M132-S134 PolarHBondContact O-N 3Å; M132-S134 VanDerWaalsContact O-N 3.12Å; M132-C135 PolarHBondContact N-O 2.83Å; M132-C135 WeakPolarHBondContact O-CB 3.36Å; M132-C135 PolarHBondContact O-N 2.88Å; M132-C137 PolarHBondContact N-SG 3.47Å |
| 133 | D | 86.9 | Confident | 94.3 | Very high | 158 Ų | 158 | 29.2 Ų | 29.2 | 85% | 0.845 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 40 | -175.8 | -60.7 | -37.6 | 0 | 0 | 0 | 113.7 | C135 | D133-C135 PolarHBondContact O-N 2.93Š|
| 134 | S | 84.1 | Confident | 94 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 32% | 0.315 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 10.8 | -176.4 | -37.8 | 0 | 0 | 0 | 0 | 115.5 | R45 M132 | R45-S134 PolarHBondContact NH1-OG 2.91Å; R45-S134 PolarHBondContact NH2-OG 2.97Å; M132-S134 PolarHBondContact O-N 3Å; M132-S134 VanDerWaalsContact O-N 3.12Å |
| 135 | C | 90.7 | Very high | 93.9 | Very high | 77 Ų | 77 | 34.3 Ų | 34.3 | 52% | 0.52 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 142.3 | 171.8 | -64.9 | 0 | 0 | 0 | 0 | 110.5 | C131 M132 D133 C137 | C131-C135 CarbonylContact C-O 3.45Å; C131-C135 WeakPolarHBondContact CA-O 3.41Å; C131-C135 WeakPolarHBondContact CB-O 3.06Å; M132-C135 PolarHBondContact N-O 2.83Å; M132-C135 WeakPolarHBondContact O-CB 3.36Å; M132-C135 PolarHBondContact O-N 2.88Å; D133-C135 PolarHBondContact O-N 2.93Å; C135-C137 PolarHBondContact O-N 3.4Å |
| 136 | L | 95.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 131.1 | 174.5 | -67.7 | 173.3 | 0 | 0 | 0 | 111 | I50 L129 R140 F147 A150 | I50-L136 HydrophobicContact CD1-CD2 3.89Å; L129-L136 HydrophobicContact CB-CD2 3.61Å; L129-L136 HydrophobicContact CD1-CD2 3.76Å; L129-L136 HydrophobicContact CG-CD2 4.29Å; L136-R140 HydrophobicContact CD1-CB 3.95Å; L136-F147 HydrophobicContact CD1-CD1 4.26Å; L136-F147 HydrophobicContact CD1-CE1 4.14Å; L136-A150 HydrophobicContact CD1-CB 4.15Å |
| 137 | C | 93.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -74.8 | -39.8 | 177.8 | -62.3 | 0 | 0 | 0 | 0 | 112 | G69 L70 P130 C131 M132 C135 | G69-C137 WeakPolarHBondContact CA-O 3.34Å; L70-C137 WeakPolarHBondContact CG-O 3.2Å; L70-C137 PolarHBondContact N-O 3.05Å; P130-C137 HydrophobicContact CB-CB 4.3Å; P130-C137 PolarHBondContact O-N 2.92Å; C131-C137 VanDerWaalsContact CA-SG 3.52Å; M132-C137 PolarHBondContact N-SG 3.47Å; C135-C137 PolarHBondContact O-N 3.4Å |
| 138 | F | 95.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -105.2 | -147.8 | -172.7 | -53.2 | -45.1 | 0 | 0 | 0 | 110.3 | L27 I35 G69 L71 P130 E153 Y163 | L27-F138 HydrophobicContact CD2-CE2 3.79Å; L27-F138 HydrophobicContact CD2-CZ 4.1Å; I35-F138 HydrophobicContact CG2-CE1 4.5Å; G69-F138 WeakPolarHBondContact CA-O 3.37Å; L71-F138 HydrophobicContact CB-CD1 3.69Å; L71-F138 HydrophobicContact CB-CE1 4.19Å; L71-F138 HydrophobicContact CB-CG 4.36Å; P130-F138 HydrophobicContact CB-CD2 3.92Å; P130-F138 HydrophobicContact CB-CE2 3.73Å; P130-F138 HydrophobicContact CG-CD2 3.85Å; P130-F138 HydrophobicContact CG-CE2 3.67Å; F138-E153 WeakPolarHBondContact CB-OE2 3.39Å; F138-Y163 HydrophobicContact CB-CE1 4.45Å; F138-Y163 AromaticContact CD2-CD1 3.33Å; F138-Y163 HydrophobicContact CD2-CD1 3.33Å; F138-Y163 HydrophobicContact CD2-CD2 4.26Å; F138-Y163 AromaticContact CD2-CE1 3.33Å; F138-Y163 HydrophobicContact CD2-CE1 3.33Å; F138-Y163 HydrophobicContact CD2-CE2 4.27Å; F138-Y163 AromaticContact CD2-CG 3.8Å; F138-Y163 HydrophobicContact CD2-CG 3.8Å; F138-Y163 AromaticContact CD2-CZ 3.81Å; F138-Y163 AromaticContact CE2-CD1 3.46Å; F138-Y163 HydrophobicContact CE2-CD1 3.46Å; F138-Y163 VanDerWaalsContact CE2-CD1 3.46Å; F138-Y163 AromaticContact CE2-CD2 3.75Å; F138-Y163 HydrophobicContact CE2-CD2 3.75Å; F138-Y163 AromaticContact CE2-CE1 3.84Å; F138-Y163 HydrophobicContact CE2-CE1 3.84Å; F138-Y163 HydrophobicContact CE2-CE2 4.1Å; F138-Y163 AromaticContact CE2-CG 3.39Å; F138-Y163 HydrophobicContact CE2-CG 3.39Å; F138-Y163 HydrophobicContact CG-CD1 4.11Å; F138-Y163 HydrophobicContact CG-CE1 4.19Å; F138-Y163 HydrophobicContact CZ-CD1 4.34Å; F138-Y163 HydrophobicContact CZ-CG 4.14Å |
| 139 | S | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -63.6 | 143.7 | -169.8 | -66.1 | 0 | 0 | 0 | 0 | 113.3 | K67 L77 A150 E153 | K67-S139 WeakPolarHBondContact O-CA 3.34Å; L77-S139 WeakPolarHBondContact CD1-OG 3.3Å; L77-S139 VanDerWaalsContact CD2-OG 3.23Å; L77-S139 WeakPolarHBondContact CD2-OG 3.42Å; S139-A150 WeakPolarHBondContact O-CB 3.45Å; S139-E153 VanDerWaalsContact CB-CD 3.5Å; S139-E153 WeakPolarHBondContact CB-OE1 3.31Å; S139-E153 PolarHBondContact N-OE1 3.02Å; S139-E153 VanDerWaalsContact N-OE1 3.11Å; S139-E153 PolarHBondContact N-OE2 3.38Å; S139-E153 VanDerWaalsContact N-OE2 3.08Å; S139-E153 PolarHBondContact OG-OE1 3.38Å | ||
| 140 | R | 94.4 | Very high | 93.7 | Very high | 126 Ų | 126 | 33.4 Ų | 33.4 | 48% | 0.475 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 162.6 | 179.2 | 63.9 | -172.2 | 178.3 | -173.6 | -0 | 111.1 | A66 K67 L136 | A66-R140 CarbonylContact C-O 3.58Å; K67-R140 HydrophobicContact CB-CG 3.99Å; K67-R140 PolarHBondContact N-O 2.84Å; K67-R140 PolarHBondContact O-N 3.24Å; L136-R140 HydrophobicContact CD1-CB 3.95Å |
| 141 | C | 93.5 | Very high | 93.8 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 167.2 | 172 | -57.6 | 0 | 0 | 0 | 0 | 111 | H65 S143 A146 W148 | H65-C141 WeakPolarHBondContact O-CA 3.43Å; C141-S143 VanDerWaalsContact C-N 3.25Å; C141-S143 WeakPolarHBondContact CB-O 3.25Å; C141-A146 HydrophobicContact CB-CB 3.88Å; C141-A146 PolarHBondContact SG-O 3.05Å; C141-W148 PolarHBondContact SG-NE1 3.42Å |
| 142 | H | 90.1 | Very high | 93.9 | Very high | 35 Ų | 35 | 33.2 Ų | 33.2 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -62.9 | -37.5 | 167.2 | -73.7 | 54.2 | 0 | 0 | 0 | 111 | L63 H65 K67 R268 E304 | L63-H142 HydrophobicContact CD2-CB 4.33Å; L63-H142 PolarHBondContact O-N 2.61Å; H65-H142 PolarHBondContact O-N 3.18Å; H65-H142 VanDerWaalsContact O-N 3.07Å; H65-H142 PolarHBondContact O-ND1 3.33Å; K67-H142 WeakPolarHBondContact CE-CD2 3.21Å; K67-H142 WeakPolarHBondContact CE-CE1 3.36Å; K67-H142 VanDerWaalsContact CE-CG 3.49Å; K67-H142 WeakPolarHBondContact CE-NE2 3.49Å; K67-H142 WeakPolarHBondContact CG-CE1 3.49Å; H142-R268 PolarHBondContact CE1-NH2 3.14Å; H142-R268 PolarHBondContact NE2-NH2 3.15Å; H142-E304 IonicContact CD2-OE2 3.53Å |
| 143 | S | 92.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -72.5 | 123.7 | 166.5 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | L63 C141 S145 A146 | L63-S143 PolarHBondContact O-N 2.87Å; C141-S143 VanDerWaalsContact C-N 3.25Å; C141-S143 WeakPolarHBondContact CB-O 3.25Å; S143-S145 PolarHBondContact O-N 3.07Å; S143-S145 PolarHBondContact OG-N 2.93Å; S143-S145 PolarHBondContact OG-OG 3.47Å; S143-S145 VanDerWaalsContact OG-OG 3.11Å; S143-A146 PolarHBondContact O-N 2.87Å |
| 144 | P | 92.1 | Very high | 94.8 | Very high | 114 Ų | 114 | 23.9 Ų | 23.9 | 74% | 0.74 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -7 | 177.5 | 30.6 | -36.1 | 0 | 0 | 0 | 113.4 | ||
| 145 | S | 94.8 | Very high | 95.5 | Very high | 38 Ų | 38 | 21.8 Ų | 21.8 | 27% | 0.266 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 0.8 | 178.3 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | S53 P54 S55 S143 F147 | S53-S145 WeakPolarHBondContact O-CB 3.39Å; P54-S145 WeakPolarHBondContact CA-O 3.4Å; S55-S145 PolarHBondContact N-O 2.99Å; S143-S145 PolarHBondContact O-N 3.07Å; S143-S145 PolarHBondContact OG-N 2.93Å; S143-S145 PolarHBondContact OG-OG 3.47Å; S143-S145 VanDerWaalsContact OG-OG 3.11Å; S145-F147 VanDerWaalsContact O-CD2 3.3Å; S145-F147 WeakPolarHBondContact O-CD2 3.33Å; S145-F147 VanDerWaalsContact O-CE2 3.31Å; S145-F147 WeakPolarHBondContact O-CE2 3.48Å |
| 146 | A | 95.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 3% | 0.025 | 10% | 0.097 | C | C | . | . | B | Isolated β-bridge | trans | -104 | 131.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S55 P58 C141 S143 | S55-A146 WeakPolarHBondContact O-CA 3.33Å; P58-A146 HydrophobicContact CB-CB 4.06Å; P58-A146 HydrophobicContact CG-CB 4.03Å; C141-A146 HydrophobicContact CB-CB 3.88Å; C141-A146 PolarHBondContact SG-O 3.05Å; S143-A146 PolarHBondContact O-N 2.87Å |
| 147 | F | 97.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.009 | 9% | 0.089 | C | C | . | . | trans | -120.5 | 3.4 | -168.2 | -66.7 | -90.1 | 0 | 0 | 0 | 115.3 | P47 I50 P54 S55 L56 W101 L129 L136 S145 V149 A150 L151 | P47-F147 HydrophobicContact CB-CD1 4.11Å; P47-F147 HydrophobicContact CB-CD2 3.87Å; P47-F147 HydrophobicContact CB-CE1 3.99Å; P47-F147 HydrophobicContact CB-CE2 3.77Å; P47-F147 HydrophobicContact CB-CG 4.05Å; P47-F147 HydrophobicContact CB-CZ 3.82Å; P47-F147 HydrophobicContact CG-CB 4.46Å; P47-F147 HydrophobicContact CG-CD1 3.84Å; P47-F147 HydrophobicContact CG-CD2 4.25Å; P47-F147 HydrophobicContact CG-CE1 4.09Å; P47-F147 HydrophobicContact CG-CG 3.92Å; P47-F147 HydrophobicContact CG-CZ 4.42Å; I50-F147 HydrophobicContact CB-CE1 4.44Å; I50-F147 HydrophobicContact CB-CZ 4.3Å; I50-F147 HydrophobicContact CD1-CE1 4.03Å; I50-F147 HydrophobicContact CG2-CE1 4.29Å; I50-F147 HydrophobicContact CG2-CZ 4.2Å; P54-F147 HydrophobicContact CB-CD2 3.9Å; P54-F147 HydrophobicContact CB-CE2 3.57Å; S55-F147 PolarHBondContact O-N 2.93Å; L56-F147 PolarHBondContact O-N 3.06Å; W101-F147 HydrophobicContact CH2-CB 4.02Å; L129-F147 HydrophobicContact CD1-CD1 3.72Å; L129-F147 HydrophobicContact CD1-CE1 4.37Å; L136-F147 HydrophobicContact CD1-CD1 4.26Å; L136-F147 HydrophobicContact CD1-CE1 4.14Å; S145-F147 VanDerWaalsContact O-CD2 3.3Å; S145-F147 WeakPolarHBondContact O-CD2 3.33Å; S145-F147 VanDerWaalsContact O-CE2 3.31Å; S145-F147 WeakPolarHBondContact O-CE2 3.48Å; F147-V149 VanDerWaalsContact C-N 3.34Å; F147-V149 PolarHBondContact O-N 3.02Å; F147-A150 PolarHBondContact O-N 3.31Å; F147-L151 HydrophobicContact CB-CD1 4.25Å; F147-L151 HydrophobicContact CB-CG 4.5Å; F147-L151 WeakPolarHBondContact O-CG 3.32Å; F147-L151 PolarHBondContact O-N 3.34Å | ||
| 148 | W | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.9 | -42.6 | -177 | 77.1 | -81.4 | 0 | 0 | 0 | 113.6 | L56 F57 A64 C80 L83 L84 F94 C141 L152 | L56-W148 HydrophobicContact CD1-CB 4.25Å; L56-W148 HydrophobicContact CG-CB 4.29Å; L56-W148 VanDerWaalsContact O-CB 3.25Å; L56-W148 WeakPolarHBondContact O-CB 3.35Å; L56-W148 PolarHBondContact O-N 2.77Å; F57-W148 HydrophobicContact CD1-CB 3.88Å; F57-W148 AromaticContact CD1-CD1 3.65Å; F57-W148 HydrophobicContact CD1-CD2 4.1Å; F57-W148 AromaticContact CD1-CG 3.57Å; F57-W148 HydrophobicContact CD1-CG 3.57Å; F57-W148 HydrophobicContact CE1-CB 3.51Å; F57-W148 AromaticContact CE1-CD1 3.83Å; F57-W148 AromaticContact CE1-CD2 3.48Å; F57-W148 HydrophobicContact CE1-CD2 3.48Å; F57-W148 VanDerWaalsContact CE1-CD2 3.48Å; F57-W148 AromaticContact CE1-CE3 3.9Å; F57-W148 HydrophobicContact CE1-CE3 3.9Å; F57-W148 AromaticContact CE1-CG 3.29Å; F57-W148 HydrophobicContact CE1-CG 3.29Å; F57-W148 HydrophobicContact CE2-CB 4.19Å; F57-W148 HydrophobicContact CG-CB 4.37Å; F57-W148 HydrophobicContact CG-CG 4.45Å; F57-W148 HydrophobicContact CZ-CB 3.68Å; F57-W148 HydrophobicContact CZ-CD2 4.24Å; F57-W148 HydrophobicContact CZ-CE3 4.37Å; F57-W148 AromaticContact CZ-CG 3.97Å; F57-W148 HydrophobicContact CZ-CG 3.97Å; A64-W148 WeakPolarHBondContact O-CZ2 3.35Å; A64-W148 PolarHBondContact O-NE1 3.33Å; C80-W148 HydrophobicContact CB-CH2 3.86Å; C80-W148 HydrophobicContact CB-CZ3 4.36Å; L83-W148 HydrophobicContact CD2-CZ3 4.3Å; L84-W148 HydrophobicContact CD1-CH2 4.2Å; L84-W148 HydrophobicContact CD1-CZ2 3.6Å; L84-W148 HydrophobicContact CD2-CH2 3.89Å; L84-W148 HydrophobicContact CD2-CZ2 3.45Å; L84-W148 VanDerWaalsContact CD2-CZ2 3.45Å; L84-W148 HydrophobicContact CG-CH2 3.68Å; L84-W148 HydrophobicContact CG-CZ2 3.46Å; L84-W148 VanDerWaalsContact CG-CZ2 3.46Å; F94-W148 HydrophobicContact CE1-CB 3.93Å; F94-W148 AromaticContact CE2-CE3 3.68Å; F94-W148 HydrophobicContact CE2-CE3 3.68Å; F94-W148 HydrophobicContact CE2-CZ3 4.17Å; F94-W148 HydrophobicContact CZ-CB 3.98Å; F94-W148 HydrophobicContact CZ-CD2 4.38Å; F94-W148 AromaticContact CZ-CE3 3.53Å; F94-W148 HydrophobicContact CZ-CE3 3.53Å; F94-W148 HydrophobicContact CZ-CZ3 4.37Å; C141-W148 PolarHBondContact SG-NE1 3.42Å; W148-L152 HydrophobicContact CE3-CD2 4.42Å; W148-L152 HydrophobicContact CZ3-CD2 4.01Å; W148-L152 VanDerWaalsContact O-CB 3.3Å; W148-L152 WeakPolarHBondContact O-CB 3.26Å; W148-L152 PolarHBondContact O-N 3.32Å |
| 149 | V | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.9 | -48.6 | 179.7 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | A66 L77 F147 L151 L152 E153 | A66-V149 HydrophobicContact CB-CG1 3.88Å; A66-V149 HydrophobicContact CB-CG2 3.96Å; L77-V149 HydrophobicContact CD2-CG1 3.92Å; F147-V149 VanDerWaalsContact C-N 3.34Å; F147-V149 PolarHBondContact O-N 3.02Å; V149-L151 VanDerWaalsContact C-N 3.3Å; V149-L151 PolarHBondContact O-N 3.23Å; V149-L152 PolarHBondContact O-N 2.99Å; V149-E153 VanDerWaalsContact O-CB 3.29Å; V149-E153 WeakPolarHBondContact O-CB 3.37Å; V149-E153 PolarHBondContact O-N 3.34Å |
| 150 | A | 97.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L129 L136 S139 F147 K154 | L129-A150 HydrophobicContact CD1-CB 3.79Å; L129-A150 HydrophobicContact CD2-CB 3.99Å; L136-A150 HydrophobicContact CD1-CB 4.15Å; S139-A150 WeakPolarHBondContact O-CB 3.45Å; F147-A150 PolarHBondContact O-N 3.31Å; A150-K154 WeakPolarHBondContact O-CB 3.34Å; A150-K154 PolarHBondContact O-N 3.37Å |
| 151 | L | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -72.7 | -36.9 | 177.3 | -65.4 | 168.5 | 0 | 0 | 0 | 112.4 | L56 W101 F110 F112 D127 L129 F147 V149 K154 A155 | L56-L151 HydrophobicContact CD1-CD1 3.78Å; W101-L151 HydrophobicContact CH2-CD1 3.76Å; W101-L151 HydrophobicContact CZ2-CD1 4.04Å; F110-L151 HydrophobicContact CD1-CD1 4.25Å; F110-L151 HydrophobicContact CD2-CD1 4.12Å; F110-L151 HydrophobicContact CE1-CD1 4.41Å; F110-L151 HydrophobicContact CE2-CD1 4.29Å; F110-L151 HydrophobicContact CG-CD1 4.1Å; F110-L151 HydrophobicContact CZ-CD1 4.43Å; F112-L151 HydrophobicContact CE1-CB 4.45Å; F112-L151 HydrophobicContact CE2-CB 4.38Å; F112-L151 HydrophobicContact CZ-CB 3.62Å; D127-L151 HydrophobicContact CB-CD2 3.81Å; L129-L151 HydrophobicContact CD1-CD2 4.41Å; L129-L151 HydrophobicContact CD2-CD2 4.1Å; L129-L151 HydrophobicContact CG-CD2 4.37Å; F147-L151 HydrophobicContact CB-CD1 4.25Å; F147-L151 HydrophobicContact CB-CG 4.5Å; F147-L151 WeakPolarHBondContact O-CG 3.32Å; F147-L151 PolarHBondContact O-N 3.34Å; V149-L151 VanDerWaalsContact C-N 3.3Å; V149-L151 PolarHBondContact O-N 3.23Å; L151-K154 WeakPolarHBondContact O-CB 3.44Å; L151-K154 PolarHBondContact O-N 2.93Å; L151-A155 PolarHBondContact O-N 3.08Å |
| 152 | L | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.4 | -42.4 | 174.8 | -175.6 | 67.4 | 0 | 0 | 0 | 111.5 | F76 L83 V93 F94 F112 W148 V149 K154 A155 Y156 L178 | F76-L152 HydrophobicContact CZ-CD2 4.09Å; F76-L152 HydrophobicContact CZ-CG 3.95Å; L83-L152 HydrophobicContact CD2-CD2 4.07Å; V93-L152 HydrophobicContact CG1-CD1 3.53Å; V93-L152 HydrophobicContact CG1-CD2 4.45Å; F94-L152 HydrophobicContact CE2-CD1 4.23Å; F94-L152 HydrophobicContact CE2-CD2 4.07Å; F94-L152 HydrophobicContact CE2-CG 4.49Å; F94-L152 HydrophobicContact CZ-CB 3.91Å; F94-L152 HydrophobicContact CZ-CD1 4.26Å; F94-L152 HydrophobicContact CZ-CD2 4.26Å; F94-L152 HydrophobicContact CZ-CG 4.36Å; F112-L152 HydrophobicContact CD1-CB 4.33Å; F112-L152 HydrophobicContact CD1-CD1 3.45Å; F112-L152 VanDerWaalsContact CD1-CD1 3.45Å; F112-L152 HydrophobicContact CD1-CG 4.49Å; F112-L152 HydrophobicContact CE1-CB 3.96Å; F112-L152 HydrophobicContact CE1-CD1 3.97Å; F112-L152 HydrophobicContact CG-CD1 4.27Å; W148-L152 HydrophobicContact CE3-CD2 4.42Å; W148-L152 HydrophobicContact CZ3-CD2 4.01Å; W148-L152 VanDerWaalsContact O-CB 3.3Å; W148-L152 WeakPolarHBondContact O-CB 3.26Å; W148-L152 PolarHBondContact O-N 3.32Å; V149-L152 PolarHBondContact O-N 2.99Å; L152-K154 VanDerWaalsContact C-N 3.3Å; L152-K154 PolarHBondContact O-N 3.28Å; L152-A155 PolarHBondContact O-N 2.83Å; L152-Y156 WeakPolarHBondContact O-CB 3.33Å; L152-Y156 PolarHBondContact O-N 3.45Å; L152-L178 HydrophobicContact CD1-CD2 4.44Å; L152-L178 HydrophobicContact CD2-CD2 4.26Å |
| 153 | E | 98.6 | Very high | 96 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.4 | -43.2 | 173 | -174.1 | -167.8 | -126.1 | 0 | 0 | 110.4 | F76 F138 S139 V149 Y156 A157 Y163 L166 | F76-E153 HydrophobicContact CE1-CB 3.95Å; F76-E153 HydrophobicContact CE1-CG 4.31Å; F138-E153 WeakPolarHBondContact CB-OE2 3.39Å; S139-E153 VanDerWaalsContact CB-CD 3.5Å; S139-E153 WeakPolarHBondContact CB-OE1 3.31Å; S139-E153 PolarHBondContact N-OE1 3.02Å; S139-E153 VanDerWaalsContact N-OE1 3.11Å; S139-E153 PolarHBondContact N-OE2 3.38Å; S139-E153 VanDerWaalsContact N-OE2 3.08Å; S139-E153 PolarHBondContact OG-OE1 3.38Å; V149-E153 VanDerWaalsContact O-CB 3.29Å; V149-E153 WeakPolarHBondContact O-CB 3.37Å; V149-E153 PolarHBondContact O-N 3.34Å; E153-Y156 PolarHBondContact O-N 3.12Å; E153-A157 WeakPolarHBondContact O-CB 3.32Å; E153-A157 PolarHBondContact O-N 3.43Å; E153-Y163 HydrophobicContact CG-CD1 4.43Å; E153-Y163 HydrophobicContact CG-CE1 3.95Å; E153-L166 HydrophobicContact CG-CD1 4.31Å |
| 154 | K | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.2 | -47.5 | 172.9 | -171.2 | 178.8 | 173.9 | 179.6 | 0 | 112.7 | F20 V125 D126 R128 L129 A150 L151 L152 Y156 A157 K158 Y163 | F20-K154 HydrophobicContact CD1-CG 4.3Å; F20-K154 HydrophobicContact CE1-CG 4.05Å; V125-K154 HydrophobicContact CB-CD 4.26Å; V125-K154 HydrophobicContact CG1-CG 4.34Å; D126-K154 PolarHBondContact O-NZ 3.46Å; D126-K154 IonicContact OD1-NZ 2.72Å; D126-K154 PolarHBondContact OD1-NZ 2.99Å; D126-K154 IonicContact OD2-NZ 3.66Å; R128-K154 WeakPolarHBondContact O-CE 3.18Å; R128-K154 PolarHBondContact O-NZ 3.33Å; L129-K154 HydrophobicContact CD2-CB 4.41Å; L129-K154 HydrophobicContact CD2-CD 4.31Å; A150-K154 WeakPolarHBondContact O-CB 3.34Å; A150-K154 PolarHBondContact O-N 3.37Å; L151-K154 WeakPolarHBondContact O-CB 3.44Å; L151-K154 PolarHBondContact O-N 2.93Å; L152-K154 VanDerWaalsContact C-N 3.3Å; L152-K154 PolarHBondContact O-N 3.28Å; K154-Y156 VanDerWaalsContact C-N 3.27Å; K154-Y156 PolarHBondContact O-N 3.33Å; K154-A157 PolarHBondContact O-N 3.2Å; K154-K158 WeakPolarHBondContact O-CB 3.3Å; K154-K158 PolarHBondContact O-N 2.87Å; K154-Y163 WeakPolarHBondContact CA-OH 2.97Å; K154-Y163 WeakPolarHBondContact CB-OH 3.32Å; K154-Y163 HydrophobicContact CG-CE2 4.42Å; K154-Y163 WeakPolarHBondContact CG-OH 3.14Å |
| 155 | A | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.3 | -38.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F112 I114 V123 V125 L151 L152 L159 | F112-A155 HydrophobicContact CB-CB 4.11Å; F112-A155 HydrophobicContact CD1-CB 4.44Å; F112-A155 HydrophobicContact CD2-CB 3.49Å; F112-A155 VanDerWaalsContact CD2-CB 3.49Å; F112-A155 HydrophobicContact CE2-CB 4.06Å; F112-A155 HydrophobicContact CG-CB 3.75Å; I114-A155 HydrophobicContact CD1-CB 4.29Å; V123-A155 HydrophobicContact CB-CB 4.38Å; V123-A155 HydrophobicContact CG1-CB 3.99Å; V125-A155 HydrophobicContact CG1-CB 4.08Å; V125-A155 HydrophobicContact CG2-CB 4.38Å; L151-A155 PolarHBondContact O-N 3.08Å; L152-A155 PolarHBondContact O-N 2.83Å; A155-L159 PolarHBondContact O-N 2.97Å; A155-L159 VanDerWaalsContact O-N 3.08Å |
| 156 | Y | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -68.3 | -43.4 | 175.2 | -160.5 | -113.8 | 0 | 0 | 0 | 111.5 | W75 F76 I114 L152 E153 K154 K158 L159 H160 L166 D177 | W75-Y156 AromaticContact CH2-CE1 3.55Å; W75-Y156 HydrophobicContact CH2-CE1 3.55Å; W75-Y156 AromaticContact CH2-CZ 3.9Å; W75-Y156 VanDerWaalsContact CH2-OH 3.31Å; W75-Y156 WeakPolarHBondContact CH2-OH 3.42Å; W75-Y156 HydrophobicContact CZ2-CE1 4.01Å; W75-Y156 HydrophobicContact CZ3-CE1 4.24Å; W75-Y156 WeakPolarHBondContact CZ3-OH 3.48Å; F76-Y156 AromaticContact CD2-CD1 3.65Å; F76-Y156 HydrophobicContact CD2-CD1 3.65Å; F76-Y156 AromaticContact CD2-CE1 3.68Å; F76-Y156 HydrophobicContact CD2-CE1 3.68Å; F76-Y156 HydrophobicContact CD2-CG 4.08Å; F76-Y156 AromaticContact CE2-CD1 3.67Å; F76-Y156 HydrophobicContact CE2-CD1 3.67Å; F76-Y156 AromaticContact CE2-CD2 3.97Å; F76-Y156 HydrophobicContact CE2-CD2 3.97Å; F76-Y156 HydrophobicContact CE2-CE1 4.08Å; F76-Y156 HydrophobicContact CE2-CE2 4.37Å; F76-Y156 AromaticContact CE2-CG 3.61Å; F76-Y156 HydrophobicContact CE2-CG 3.61Å; F76-Y156 HydrophobicContact CG-CD1 4.22Å; F76-Y156 HydrophobicContact CG-CE1 4.35Å; F76-Y156 HydrophobicContact CZ-CD1 4.26Å; F76-Y156 HydrophobicContact CZ-CG 4.11Å; I114-Y156 HydrophobicContact CD1-CD2 4.18Å; I114-Y156 HydrophobicContact CG2-CD2 4.21Å; I114-Y156 HydrophobicContact CG2-CE2 4.27Å; L152-Y156 WeakPolarHBondContact O-CB 3.33Å; L152-Y156 PolarHBondContact O-N 3.45Å; E153-Y156 PolarHBondContact O-N 3.12Å; K154-Y156 VanDerWaalsContact C-N 3.27Å; K154-Y156 PolarHBondContact O-N 3.33Å; Y156-K158 PolarHBondContact O-N 2.66Å; Y156-L159 WeakPolarHBondContact O-CB 3.38Å; Y156-L159 PolarHBondContact O-N 2.94Å; Y156-L159 VanDerWaalsContact O-N 3.16Å; Y156-H160 AromaticContact CD1-CD2 3.82Å; Y156-H160 AromaticContact CE1-CD2 3.65Å; Y156-H160 AromaticContact CE1-NE2 3.56Å; Y156-H160 AromaticContact CE2-CD2 3.92Å; Y156-H160 AromaticContact CE2-NE2 3.44Å; Y156-H160 WeakPolarHBondContact CE2-NE2 3.5Å; Y156-H160 AromaticContact CZ-CD2 3.71Å; Y156-H160 AromaticContact CZ-NE2 3.16Å; Y156-H160 PolarHBondContact O-CD2 3.14Å; Y156-H160 PolarHBondContact O-N 2.77Å; Y156-H160 PolarHBondContact OH-NE2 3.21Å; Y156-L166 HydrophobicContact CD1-CD1 3.99Å; Y156-L166 HydrophobicContact CD1-CD2 3.43Å; Y156-L166 VanDerWaalsContact CD1-CD2 3.43Å; Y156-L166 HydrophobicContact CD1-CG 4.34Å; Y156-L166 HydrophobicContact CE1-CD2 3.76Å; Y156-L166 HydrophobicContact CG-CD2 4.42Å; Y156-D177 HydrophobicContact CE2-CB 4.03Å; Y156-D177 PolarHBondContact OH-OD2 3.42Å |
| 157 | A | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F20 E153 K154 L159 H160 G161 S162 Y163 L166 | F20-A157 HydrophobicContact CZ-CB 4.02Å; E153-A157 WeakPolarHBondContact O-CB 3.32Å; E153-A157 PolarHBondContact O-N 3.43Å; K154-A157 PolarHBondContact O-N 3.2Å; A157-L159 VanDerWaalsContact C-N 3.32Å; A157-L159 PolarHBondContact O-N 3.42Å; A157-H160 CarbonylContact O-C 3.59Å; A157-H160 PolarHBondContact O-N 3.05Å; A157-G161 CarbonylContact O-C 3.57Å; A157-G161 PolarHBondContact O-N 3.32Å; A157-S162 PolarHBondContact O-N 3.05Å; A157-S162 VanDerWaalsContact O-N 3.14Å; A157-Y163 HydrophobicContact CB-CD1 3.86Å; A157-Y163 HydrophobicContact CB-CD2 4.04Å; A157-Y163 HydrophobicContact CB-CE1 4.12Å; A157-Y163 HydrophobicContact CB-CE2 4.29Å; A157-Y163 HydrophobicContact CB-CG 3.84Å; A157-L166 HydrophobicContact CB-CD1 3.83Å; A157-L166 HydrophobicContact CB-CG 4.32Å |
| 158 | K | 97.1 | Very high | 94.7 | Very high | 42 Ų | 42 | 19.1 Ų | 19.1 | 18% | 0.183 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.5 | -45.1 | 173.9 | 174.6 | 173.3 | -178 | 171 | 0 | 112.1 | D17 F20 V123 T124 V125 K154 Y156 H160 G161 | D17-K158 IonicContact OD1-NZ 3.05Å; D17-K158 PolarHBondContact OD1-NZ 2.86Å; D17-K158 WeakPolarHBondContact OD2-CD 3.39Å; D17-K158 IonicContact OD2-NZ 2.77Å; D17-K158 PolarHBondContact OD2-NZ 3.18Å; F20-K158 HydrophobicContact CB-CB 4.15Å; F20-K158 HydrophobicContact CB-CD 3.71Å; F20-K158 HydrophobicContact CB-CG 3.83Å; F20-K158 HydrophobicContact CD1-CB 4.24Å; F20-K158 HydrophobicContact CD2-CB 3.7Å; F20-K158 HydrophobicContact CD2-CG 3.95Å; F20-K158 VanDerWaalsContact CE2-CA 3.49Å; F20-K158 HydrophobicContact CE2-CB 4.09Å; F20-K158 HydrophobicContact CG-CB 3.77Å; F20-K158 HydrophobicContact CG-CD 4.28Å; F20-K158 HydrophobicContact CG-CG 3.97Å; F20-K158 HydrophobicContact CZ-CB 4.49Å; V123-K158 HydrophobicContact CG1-CB 4.47Å; V123-K158 HydrophobicContact CG1-CD 3.94Å; V123-K158 HydrophobicContact CG1-CG 4.31Å; T124-K158 PolarHBondContact O-NZ 2.85Å; V125-K158 HydrophobicContact CG1-CB 4.36Å; V125-K158 HydrophobicContact CG1-CD 3.79Å; K154-K158 WeakPolarHBondContact O-CB 3.3Å; K154-K158 PolarHBondContact O-N 2.87Å; Y156-K158 PolarHBondContact O-N 2.66Å; K158-H160 VanDerWaalsContact C-N 3.29Å; K158-H160 PolarHBondContact O-N 2.65Å; K158-G161 PolarHBondContact O-N 3.1Å |
| 159 | L | 94.3 | Very high | 94.3 | Very high | 49 Ų | 49 | 20.2 Ų | 20.2 | 26% | 0.257 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -64 | -35.2 | 179.5 | -172.2 | 65 | 0 | 0 | 0 | 112.4 | I114 Q116 V123 A155 Y156 A157 | I114-L159 HydrophobicContact CB-CD2 3.97Å; I114-L159 HydrophobicContact CD1-CD2 4.15Å; I114-L159 HydrophobicContact CG2-CD2 3.56Å; Q116-L159 HydrophobicContact CG-CD1 4.21Å; Q116-L159 HydrophobicContact CG-CD2 3.69Å; Q116-L159 HydrophobicContact CG-CG 4.33Å; V123-L159 HydrophobicContact CG2-CD1 4.16Å; A155-L159 PolarHBondContact O-N 2.97Å; A155-L159 VanDerWaalsContact O-N 3.08Å; Y156-L159 WeakPolarHBondContact O-CB 3.38Å; Y156-L159 PolarHBondContact O-N 2.94Å; Y156-L159 VanDerWaalsContact O-N 3.16Å; A157-L159 VanDerWaalsContact C-N 3.32Å; A157-L159 PolarHBondContact O-N 3.42Å |
| 160 | H | 90.8 | Very high | 93.9 | Very high | 48 Ų | 48 | 24.1 Ų | 24.1 | 22% | 0.222 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -90 | -10.7 | 179.3 | -73.9 | -78.2 | 0 | 0 | 0 | 114.1 | Y156 A157 K158 Q165 L166 | Y156-H160 AromaticContact CD1-CD2 3.82Å; Y156-H160 AromaticContact CE1-CD2 3.65Å; Y156-H160 AromaticContact CE1-NE2 3.56Å; Y156-H160 AromaticContact CE2-CD2 3.92Å; Y156-H160 AromaticContact CE2-NE2 3.44Å; Y156-H160 WeakPolarHBondContact CE2-NE2 3.5Å; Y156-H160 AromaticContact CZ-CD2 3.71Å; Y156-H160 AromaticContact CZ-NE2 3.16Å; Y156-H160 PolarHBondContact O-CD2 3.14Å; Y156-H160 PolarHBondContact O-N 2.77Å; Y156-H160 PolarHBondContact OH-NE2 3.21Å; A157-H160 CarbonylContact O-C 3.59Å; A157-H160 PolarHBondContact O-N 3.05Å; K158-H160 VanDerWaalsContact C-N 3.29Å; K158-H160 PolarHBondContact O-N 2.65Å; H160-Q165 HydrophobicContact CB-CB 4.24Å; H160-L166 HydrophobicContact CB-CD2 3.84Å |
| 161 | G | 92.8 | Very high | 93.6 | Very high | 44 Ų | 44 | 24.4 Ų | 24.4 | 45% | 0.454 | 14% | 0.142 | S | C | . | . | S | Bend | trans | 112 | -33.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A157 K158 | A157-G161 CarbonylContact O-C 3.57Å; A157-G161 PolarHBondContact O-N 3.32Å; K158-G161 PolarHBondContact O-N 3.1Å |
| 162 | S | 94.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -160.7 | 168.4 | 174.7 | 69.9 | 0 | 0 | 0 | 0 | 110.7 | S26 A157 E164 Q165 | S26-S162 CarbonylContact O-C 3.52Å; S26-S162 VanDerWaalsContact O-CA 3.28Å; S26-S162 WeakPolarHBondContact O-CA 3.31Å; S26-S162 WeakPolarHBondContact O-CB 3.27Å; A157-S162 PolarHBondContact O-N 3.05Å; A157-S162 VanDerWaalsContact O-N 3.14Å; S162-E164 VanDerWaalsContact C-N 3.34Å; S162-Q165 PolarHBondContact O-N 3.37Å; S162-Q165 WeakPolarHBondContact OG-CG 3.33Å; S162-Q165 PolarHBondContact OG-N 3.12Å |
| 163 | Y | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -61.8 | -40.6 | 172.7 | -82.3 | -85.6 | 0 | 0 | 0 | 112.2 | F20 S26 L27 W44 L71 P130 F138 E153 K154 A157 Q165 L166 | F20-Y163 HydrophobicContact CE1-CD2 4.35Å; F20-Y163 HydrophobicContact CE1-CE2 4.02Å; F20-Y163 HydrophobicContact CZ-CD2 4.16Å; F20-Y163 HydrophobicContact CZ-CE2 4.27Å; S26-Y163 WeakPolarHBondContact O-CD2 3.19Å; S26-Y163 PolarHBondContact O-N 3.37Å; L27-Y163 HydrophobicContact CD2-CD2 4.01Å; W44-Y163 HydrophobicContact CH2-CE2 4.11Å; L71-Y163 WeakPolarHBondContact CD1-O 3.33Å; L71-Y163 HydrophobicContact CD2-CD1 4.05Å; P130-Y163 HydrophobicContact CG-CD2 4.36Å; P130-Y163 HydrophobicContact CG-CE2 3.71Å; F138-Y163 HydrophobicContact CB-CE1 4.45Å; F138-Y163 AromaticContact CD2-CD1 3.33Å; F138-Y163 HydrophobicContact CD2-CD1 3.33Å; F138-Y163 HydrophobicContact CD2-CD2 4.26Å; F138-Y163 AromaticContact CD2-CE1 3.33Å; F138-Y163 HydrophobicContact CD2-CE1 3.33Å; F138-Y163 HydrophobicContact CD2-CE2 4.27Å; F138-Y163 AromaticContact CD2-CG 3.8Å; F138-Y163 HydrophobicContact CD2-CG 3.8Å; F138-Y163 AromaticContact CD2-CZ 3.81Å; F138-Y163 AromaticContact CE2-CD1 3.46Å; F138-Y163 HydrophobicContact CE2-CD1 3.46Å; F138-Y163 VanDerWaalsContact CE2-CD1 3.46Å; F138-Y163 AromaticContact CE2-CD2 3.75Å; F138-Y163 HydrophobicContact CE2-CD2 3.75Å; F138-Y163 AromaticContact CE2-CE1 3.84Å; F138-Y163 HydrophobicContact CE2-CE1 3.84Å; F138-Y163 HydrophobicContact CE2-CE2 4.1Å; F138-Y163 AromaticContact CE2-CG 3.39Å; F138-Y163 HydrophobicContact CE2-CG 3.39Å; F138-Y163 HydrophobicContact CG-CD1 4.11Å; F138-Y163 HydrophobicContact CG-CE1 4.19Å; F138-Y163 HydrophobicContact CZ-CD1 4.34Å; F138-Y163 HydrophobicContact CZ-CG 4.14Å; E153-Y163 HydrophobicContact CG-CD1 4.43Å; E153-Y163 HydrophobicContact CG-CE1 3.95Å; K154-Y163 WeakPolarHBondContact CA-OH 2.97Å; K154-Y163 WeakPolarHBondContact CB-OH 3.32Å; K154-Y163 HydrophobicContact CG-CE2 4.42Å; K154-Y163 WeakPolarHBondContact CG-OH 3.14Å; A157-Y163 HydrophobicContact CB-CD1 3.86Å; A157-Y163 HydrophobicContact CB-CD2 4.04Å; A157-Y163 HydrophobicContact CB-CE1 4.12Å; A157-Y163 HydrophobicContact CB-CE2 4.29Å; A157-Y163 HydrophobicContact CB-CG 3.84Å; Y163-Q165 PolarHBondContact O-N 3.22Å; Y163-L166 WeakPolarHBondContact O-CB 3.31Å; Y163-L166 PolarHBondContact O-N 3.5Å |
| 164 | E | 92.2 | Very high | 93 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 2% | 0.023 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -56.2 | -33.9 | 177.6 | -175.8 | 167.5 | -133.4 | 0 | 0 | 113.1 | L27 S29 D30 S31 S32 T33 I35 S162 L166 W167 | L27-E164 WeakPolarHBondContact O-CB 3.34Å; L27-E164 PolarHBondContact O-N 3.03Å; S29-E164 WeakPolarHBondContact CA-OE2 3.34Å; S29-E164 PolarHBondContact N-OE2 3.36Å; S29-E164 PolarHBondContact OG-OE2 3.33Å; D30-E164 PolarHBondContact N-OE2 2.96Å; D30-E164 VanDerWaalsContact N-OE2 3.09Å; S31-E164 WeakPolarHBondContact CA-OE1 3.26Å; S31-E164 PolarHBondContact N-OE1 3.32Å; S31-E164 PolarHBondContact N-OE2 3.23Å; S32-E164 PolarHBondContact N-OE1 2.97Å; S32-E164 VanDerWaalsContact N-OE1 3.09Å; T33-E164 WeakPolarHBondContact CB-OE1 3.4Å; T33-E164 HydrophobicContact CG2-CG 3.64Å; T33-E164 PolarHBondContact N-OE1 3.12Å; T33-E164 VanDerWaalsContact N-OE1 3.12Å; T33-E164 WeakPolarHBondContact OG1-CG 3.43Å; T33-E164 PolarHBondContact OG1-OE1 3.14Å; I35-E164 HydrophobicContact CD1-CB 3.91Å; I35-E164 HydrophobicContact CD1-CG 4.42Å; S162-E164 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 3.23Å; E164-L166 VanDerWaalsContact O-N 3.13Å; E164-W167 WeakPolarHBondContact O-CB 3.26Å; E164-W167 PolarHBondContact O-N 2.87Å |
| 165 | Q | 89.8 | Confident | 93 | Very high | 44 Ų | 44 | 26.7 Ų | 26.7 | 21% | 0.206 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -67.6 | -12 | 179 | -67.5 | -75.6 | 16.1 | 0 | 0 | 113.9 | H160 S162 Y163 W167 | H160-Q165 HydrophobicContact CB-CB 4.24Å; S162-Q165 PolarHBondContact O-N 3.37Å; S162-Q165 WeakPolarHBondContact OG-CG 3.33Å; S162-Q165 PolarHBondContact OG-N 3.12Å; Y163-Q165 PolarHBondContact O-N 3.22Å; Q165-W167 VanDerWaalsContact C-N 3.35Å |
| 166 | L | 91.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -86.3 | -6.4 | 174 | -53.7 | -172.5 | 0 | 0 | 0 | 113 | L71 D73 W75 E153 Y156 A157 H160 Y163 E164 A168 | L71-L166 HydrophobicContact CD2-CB 4.05Å; L71-L166 HydrophobicContact CD2-CD1 4.26Å; D73-L166 HydrophobicContact CB-CB 4.41Å; W75-L166 PolarHBondContact NE1-O 2.96Å; E153-L166 HydrophobicContact CG-CD1 4.31Å; Y156-L166 HydrophobicContact CD1-CD1 3.99Å; Y156-L166 HydrophobicContact CD1-CD2 3.43Å; Y156-L166 VanDerWaalsContact CD1-CD2 3.43Å; Y156-L166 HydrophobicContact CD1-CG 4.34Å; Y156-L166 HydrophobicContact CE1-CD2 3.76Å; Y156-L166 HydrophobicContact CG-CD2 4.42Å; A157-L166 HydrophobicContact CB-CD1 3.83Å; A157-L166 HydrophobicContact CB-CG 4.32Å; H160-L166 HydrophobicContact CB-CD2 3.84Å; Y163-L166 WeakPolarHBondContact O-CB 3.31Å; Y163-L166 PolarHBondContact O-N 3.5Å; E164-L166 PolarHBondContact O-N 3.23Å; E164-L166 VanDerWaalsContact O-N 3.13Å; L166-A168 PolarHBondContact O-N 3.02Å |
| 167 | W | 88.6 | Confident | 92.8 | Very high | 89 Ų | 89 | 27 Ų | 27 | 34% | 0.337 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 127.1 | 178.8 | -172 | -83.4 | 0 | 0 | 0 | 111.3 | T33 P34 I35 L71 E164 Q165 | T33-W167 HydrophobicContact CG2-CB 3.69Å; T33-W167 HydrophobicContact CG2-CD2 3.96Å; T33-W167 HydrophobicContact CG2-CG 3.52Å; P34-W167 HydrophobicContact CB-CH2 4.12Å; P34-W167 VanDerWaalsContact CD-CZ2 3.47Å; P34-W167 HydrophobicContact CG-CH2 3.69Å; P34-W167 HydrophobicContact CG-CZ2 3.74Å; P34-W167 HydrophobicContact CG-CZ3 4.47Å; I35-W167 HydrophobicContact CG2-CE3 4.24Å; I35-W167 HydrophobicContact CG2-CZ3 3.92Å; L71-W167 HydrophobicContact CD1-CE3 4.15Å; E164-W167 WeakPolarHBondContact O-CB 3.26Å; E164-W167 PolarHBondContact O-N 2.87Å; Q165-W167 VanDerWaalsContact C-N 3.35Å |
| 168 | A | 83.1 | Confident | 92.8 | Very high | 73 Ų | 73 | 27 Ų | 27 | 60% | 0.603 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 56 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | G72 L166 | G72-A168 PolarHBondContact O-N 2.91Å; L166-A168 PolarHBondContact O-N 3.02Å |
| 169 | G | 86.2 | Confident | 92.8 | Very high | 23 Ų | 23 | 25.4 Ų | 25.4 | 24% | 0.237 | 15% | 0.151 | C | C | . | . | trans | -91.7 | -165 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | W75 | W75-G169 VanDerWaalsContact CG-C 3.43Å; W75-G169 VanDerWaalsContact NE1-N 3.13Å | ||
| 170 | Q | 88.6 | Confident | 92.8 | Very high | 81 Ų | 81 | 23.8 Ų | 23.8 | 38% | 0.379 | 15% | 0.147 | S | C | . | . | trans | -122.1 | 132.5 | -177.2 | -63.6 | -62 | -53.4 | 0 | 0 | 111.4 | S172 E173 A174 | Q170-S172 PolarHBondContact O-N 2.78Å; Q170-S172 VanDerWaalsContact O-N 3.13Å; Q170-E173 HydrophobicContact CB-CG 4.09Å; Q170-E173 WeakPolarHBondContact O-CB 3.48Å; Q170-E173 PolarHBondContact O-N 3.43Å; Q170-A174 PolarHBondContact O-N 2.84Å | ||
| 171 | V | 93.3 | Very high | 92.9 | Very high | 9 Ų | 9 | 21.6 Ų | 21.6 | 6% | 0.055 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.6 | -37.3 | -176.6 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | W75 C78 E173 A174 L175 A245 T322 | W75-V171 HydrophobicContact CB-CG2 4Å; C78-V171 HydrophobicContact CB-CG1 4.04Å; C78-V171 HydrophobicContact CB-CG2 4.13Å; V171-E173 VanDerWaalsContact C-N 3.25Å; V171-E173 PolarHBondContact O-N 3.41Å; V171-A174 PolarHBondContact O-N 2.83Å; V171-L175 HydrophobicContact CG1-CD1 3.86Å; V171-L175 HydrophobicContact CG1-CG 4.07Å; V171-L175 WeakPolarHBondContact O-CB 3.3Å; V171-L175 WeakPolarHBondContact O-CG 3.25Å; V171-L175 PolarHBondContact O-N 3.18Å; V171-A245 HydrophobicContact CG2-CB 3.6Å; V171-T322 HydrophobicContact CB-CG2 4.32Å; V171-T322 HydrophobicContact CG1-CG2 4.31Å |
| 172 | S | 93.5 | Very high | 93.1 | Very high | 25 Ų | 25 | 19.6 Ų | 19.6 | 18% | 0.175 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59 | -35.9 | 177.9 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | Q170 V176 | Q170-S172 PolarHBondContact O-N 2.78Å; Q170-S172 VanDerWaalsContact O-N 3.13Å; S172-V176 VanDerWaalsContact O-CG2 3.3Å; S172-V176 WeakPolarHBondContact O-CG2 3.27Å; S172-V176 PolarHBondContact O-N 2.65Å |
| 173 | E | 93.5 | Very high | 93 | Very high | 20 Ų | 20 | 19.7 Ų | 19.7 | 9% | 0.093 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.5 | -46.8 | 178.1 | -60.8 | -170.1 | 176 | 0 | 0 | 111.7 | W75 Q170 V171 L175 V176 D177 Y415 R451 | W75-E173 HydrophobicContact CZ3-CB 4.09Å; Q170-E173 HydrophobicContact CB-CG 4.09Å; Q170-E173 WeakPolarHBondContact O-CB 3.48Å; Q170-E173 PolarHBondContact O-N 3.43Å; V171-E173 VanDerWaalsContact C-N 3.25Å; V171-E173 PolarHBondContact O-N 3.41Å; E173-L175 VanDerWaalsContact C-N 3.33Å; E173-L175 PolarHBondContact O-N 3.49Å; E173-V176 PolarHBondContact O-N 2.86Å; E173-D177 WeakPolarHBondContact O-CB 3.49Å; E173-D177 PolarHBondContact O-N 2.92Å; E173-Y415 WeakPolarHBondContact OE1-CE2 3.4Å; E173-Y415 PolarHBondContact OE1-OH 2.81Å; E173-Y415 PolarHBondContact OE2-OH 3.23Å; E173-R451 HydrophobicContact CG-CB 4.16Å |
| 174 | A | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.3 | -38.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | W75 F76 A79 Q170 V171 D177 L178 | W75-A174 HydrophobicContact CE3-CB 3.55Å; W75-A174 HydrophobicContact CZ3-CB 3.57Å; F76-A174 HydrophobicContact CB-CB 4.44Å; F76-A174 HydrophobicContact CD2-CB 4.11Å; A79-A174 HydrophobicContact CB-CB 3.54Å; Q170-A174 PolarHBondContact O-N 2.84Å; V171-A174 PolarHBondContact O-N 2.83Å; A174-D177 PolarHBondContact O-N 2.86Å; A174-L178 WeakPolarHBondContact O-CB 3.41Å; A174-L178 WeakPolarHBondContact O-CG 3.44Å; A174-L178 PolarHBondContact O-N 2.75Å |
| 175 | L | 96.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 173.5 | -75.8 | 173.2 | 0 | 0 | 0 | 110.9 | A79 F82 V171 E173 D177 T179 A183 A225 T322 | A79-L175 HydrophobicContact CB-CD2 3.89Å; A79-L175 HydrophobicContact CB-CG 4.07Å; F82-L175 HydrophobicContact CB-CD2 4.15Å; F82-L175 HydrophobicContact CD1-CD2 4.07Å; F82-L175 HydrophobicContact CG-CD2 4.3Å; V171-L175 HydrophobicContact CG1-CD1 3.86Å; V171-L175 HydrophobicContact CG1-CG 4.07Å; V171-L175 WeakPolarHBondContact O-CB 3.3Å; V171-L175 WeakPolarHBondContact O-CG 3.25Å; V171-L175 PolarHBondContact O-N 3.18Å; E173-L175 VanDerWaalsContact C-N 3.33Å; E173-L175 PolarHBondContact O-N 3.49Å; L175-D177 VanDerWaalsContact C-N 3.35Å; L175-D177 PolarHBondContact O-N 3.46Å; L175-T179 VanDerWaalsContact O-CB 3.22Å; L175-T179 WeakPolarHBondContact O-CB 3.44Å; L175-T179 WeakPolarHBondContact O-CG2 3.47Å; L175-T179 PolarHBondContact O-N 2.87Å; L175-T179 PolarHBondContact O-OG1 3.33Å; L175-A183 HydrophobicContact CB-CB 4.24Å; L175-A183 HydrophobicContact CD1-CB 4.37Å; L175-A225 HydrophobicContact CD1-CB 4Å; L175-A225 HydrophobicContact CD2-CB 3.63Å; L175-T322 HydrophobicContact CD1-CG2 3.9Å |
| 176 | V | 96.5 | Very high | 92.2 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.03 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 177.4 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | W115 S172 E173 T179 G180 A183 L388 | W115-V176 HydrophobicContact CE3-CG1 3.71Å; W115-V176 HydrophobicContact CH2-CG1 4.19Å; W115-V176 HydrophobicContact CZ3-CG1 3.45Å; W115-V176 VanDerWaalsContact CZ3-CG1 3.45Å; S172-V176 VanDerWaalsContact O-CG2 3.3Å; S172-V176 WeakPolarHBondContact O-CG2 3.27Å; S172-V176 PolarHBondContact O-N 2.65Å; E173-V176 PolarHBondContact O-N 2.86Å; V176-T179 PolarHBondContact O-N 2.88Å; V176-G180 VanDerWaalsContact O-CA 3.27Å; V176-G180 WeakPolarHBondContact O-CA 3.48Å; V176-G180 PolarHBondContact O-N 2.85Å; V176-A183 HydrophobicContact CG2-CB 4.13Å; V176-L388 HydrophobicContact CG1-CD1 3.98Å |
| 177 | D | 97.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.2 | -32 | -177.7 | -71.8 | -0.4 | 0 | 0 | 0 | 113.1 | I114 W115 Q116 Y156 E173 A174 L175 R451 | I114-D177 HydrophobicContact CG2-CB 4.09Å; W115-D177 WeakPolarHBondContact CA-O 3.47Å; W115-D177 VanDerWaalsContact CB-O 3.31Å; W115-D177 WeakPolarHBondContact CB-O 3.33Å; W115-D177 PolarHBondContact N-O 3Å; W115-D177 WeakPolarHBondContact O-CA 3.23Å; Q116-D177 PolarHBondContact NE2-OD2 2.84Å; Y156-D177 HydrophobicContact CE2-CB 4.03Å; Y156-D177 PolarHBondContact OH-OD2 3.42Å; E173-D177 WeakPolarHBondContact O-CB 3.49Å; E173-D177 PolarHBondContact O-N 2.92Å; A174-D177 PolarHBondContact O-N 2.86Å; L175-D177 VanDerWaalsContact C-N 3.35Å; L175-D177 PolarHBondContact O-N 3.46Å; D177-R451 VanDerWaalsContact CG-NH1 3.31Å; D177-R451 IonicContact OD1-CZ 3.25Å; D177-R451 VanDerWaalsContact OD1-CZ 3.23Å; D177-R451 IonicContact OD1-NH1 3.97Å; D177-R451 PolarHBondContact OD1-NH1 2.68Å; D177-R451 IonicContact OD1-NH2 3.55Å; D177-R451 PolarHBondContact OD1-NH2 3.02Å; D177-R451 IonicContact OD2-NH1 2.73Å; D177-R451 PolarHBondContact OD2-NH1 2.79Å; D177-R451 IonicContact OD2-NH2 2.71Å |
| 178 | L | 97.2 | Very high | 91 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -88 | -15.8 | 178.1 | -65.2 | -178.4 | 0 | 0 | 0 | 113.8 | F76 A79 V93 L152 A174 | F76-L178 HydrophobicContact CD2-CD1 4.49Å; F76-L178 HydrophobicContact CE2-CD1 4.08Å; F76-L178 HydrophobicContact CE2-CD2 4.31Å; F76-L178 HydrophobicContact CE2-CG 4.47Å; A79-L178 HydrophobicContact CB-CD1 3.87Å; V93-L178 HydrophobicContact CG1-CD2 4.41Å; V93-L178 VanDerWaalsContact CG2-O 3.31Å; V93-L178 WeakPolarHBondContact CG2-O 3.24Å; L152-L178 HydrophobicContact CD1-CD2 4.44Å; L152-L178 HydrophobicContact CD2-CD2 4.26Å; A174-L178 WeakPolarHBondContact O-CB 3.41Å; A174-L178 WeakPolarHBondContact O-CG 3.44Å; A174-L178 PolarHBondContact O-N 2.75Å |
| 179 | T | 96 | Very high | 90.2 | Very high | 9 Ų | 9 | 19.2 Ų | 19.2 | 6% | 0.055 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -116.6 | -25.6 | -174.8 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | F82 L89 W120 L175 V176 G181 I327 | F82-T179 HydrophobicContact CD1-CG2 4.06Å; F82-T179 HydrophobicContact CE1-CG2 3.89Å; L89-T179 HydrophobicContact CD1-CG2 3.84Å; W120-T179 WeakPolarHBondContact CZ2-O 3.25Å; L175-T179 VanDerWaalsContact O-CB 3.22Å; L175-T179 WeakPolarHBondContact O-CB 3.44Å; L175-T179 WeakPolarHBondContact O-CG2 3.47Å; L175-T179 PolarHBondContact O-N 2.87Å; L175-T179 PolarHBondContact O-OG1 3.33Å; V176-T179 PolarHBondContact O-N 2.88Å; T179-G181 PolarHBondContact O-N 3.08Å; T179-G181 PolarHBondContact OG1-N 2.78Å; T179-I327 WeakPolarHBondContact O-CD1 3.33Å |
| 180 | G | 94.1 | Very high | 88.5 | Confident | 15 Ų | 15 | 24.9 Ų | 24.9 | 16% | 0.155 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 66.8 | 4.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | W115 V176 R482 | W115-G180 VanDerWaalsContact CG-CA 3.44Å; V176-G180 VanDerWaalsContact O-CA 3.27Å; V176-G180 WeakPolarHBondContact O-CA 3.48Å; V176-G180 PolarHBondContact O-N 2.85Å; G180-R482 PolarHBondContact O-NH1 2.97Å |
| 181 | G | 94.5 | Very high | 86.2 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -84.3 | -149.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | T179 R482 | T179-G181 PolarHBondContact O-N 3.08Å; T179-G181 PolarHBondContact OG1-N 2.78Å; G181-R482 VanDerWaalsContact O-CZ 3.31Å; G181-R482 PolarHBondContact O-NH1 2.94Å; G181-R482 PolarHBondContact O-NH2 2.72Å |
| 182 | V | 95.3 | Very high | 83.6 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | trans | -125 | 143.3 | -178.3 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | Y325 L333 L384 V454 F484 | V182-Y325 HydrophobicContact CB-CD2 4.02Å; V182-Y325 HydrophobicContact CB-CG 4.21Å; V182-Y325 HydrophobicContact CG1-CD2 4.03Å; V182-Y325 HydrophobicContact CG1-CE2 4.07Å; V182-Y325 WeakPolarHBondContact O-CB 3.3Å; V182-Y325 WeakPolarHBondContact O-CD2 3.46Å; V182-Y325 PolarHBondContact O-N 3.38Å; V182-L333 HydrophobicContact CB-CD2 4.16Å; V182-L333 HydrophobicContact CG2-CD2 3.76Å; V182-L384 HydrophobicContact CG1-CD2 4.36Å; V182-L384 HydrophobicContact CG2-CD2 3.99Å; V182-V454 HydrophobicContact CG1-CB 4.46Å; V182-V454 HydrophobicContact CG1-CG1 4.13Å; V182-V454 HydrophobicContact CG1-CG2 3.45Å; V182-V454 VanDerWaalsContact CG1-CG2 3.45Å; V182-F484 HydrophobicContact CG2-CD2 4.16Å; V182-F484 HydrophobicContact CG2-CE2 3.58Å; V182-F484 HydrophobicContact CG2-CZ 4.14Å | ||
| 183 | A | 94.1 | Very high | 80.8 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 145.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L175 V176 T322 V323 | L175-A183 HydrophobicContact CB-CB 4.24Å; L175-A183 HydrophobicContact CD1-CB 4.37Å; V176-A183 HydrophobicContact CG2-CB 4.13Å; A183-T322 HydrophobicContact CB-CG2 4.41Å; A183-V323 CarbonylContact C-O 3.24Å; A183-V323 VanDerWaalsContact CA-O 3.25Å; A183-V323 WeakPolarHBondContact CA-O 3.33Å |
| 184 | E | 89.1 | Confident | 78.1 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 148.6 | 178.3 | -73.4 | -178.2 | -149.5 | 0 | 0 | 110.9 | W186 T322 V323 Y325 Y337 V454 | E184-W186 PolarHBondContact OE2-NE1 2.8Å; E184-T322 CarbonylContact O-C 3.37Å; E184-T322 WeakPolarHBondContact O-CA 3.12Å; E184-V323 PolarHBondContact N-O 3.14Å; E184-V323 PolarHBondContact O-N 3.01Å; E184-Y325 HydrophobicContact CG-CE2 3.97Å; E184-Y325 WeakPolarHBondContact OE1-CE2 3.37Å; E184-Y325 VanDerWaalsContact OE1-CZ 3.31Å; E184-Y325 PolarHBondContact OE1-OH 2.84Å; E184-Y337 PolarHBondContact OE2-OH 2.59Å; E184-V454 HydrophobicContact CG-CB 3.82Å; E184-V454 HydrophobicContact CG-CG1 4.34Å; E184-V454 HydrophobicContact CG-CG2 3.7Å; E184-V454 WeakPolarHBondContact OE1-CB 3.11Å; E184-V454 WeakPolarHBondContact OE1-CG1 3.23Å |
| 185 | R | 86.2 | Confident | 75.3 | Confident | 53 Ų | 53 | 47.2 Ų | 47.2 | 20% | 0.2 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129 | 173 | -170.7 | -172.4 | -173.8 | 117.3 | 10.8 | 110.5 | H231 D320 I321 | R185-H231 PolarHBondContact NH2-CE1 3.39Å; R185-H231 PolarHBondContact NH2-NE2 2.99Å; R185-H231 VanDerWaalsContact NH2-NE2 3.16Å; R185-D320 HydrophobicContact CG-CB 4.1Å; R185-D320 IonicContact CZ-OD2 3.91Å; R185-D320 IonicContact NE-OD1 3.23Å; R185-D320 PolarHBondContact NE-OD1 3.38Å; R185-D320 IonicContact NE-OD2 3.26Å; R185-D320 PolarHBondContact NE-OD2 2.88Å; R185-D320 IonicContact NH2-OD2 3.34Å; R185-D320 PolarHBondContact NH2-OD2 3.45Å; R185-I321 CarbonylContact C-O 2.97Å; R185-I321 VanDerWaalsContact CA-O 3.29Å; R185-I321 WeakPolarHBondContact CA-O 3.49Å |
| 186 | W | 84.3 | Confident | 72.4 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 4% | 0.038 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.9 | 178 | -58.9 | -6.9 | 0 | 0 | 0 | 109.8 | E184 L212 L217 D320 I321 V323 V336 Y337 | E184-W186 PolarHBondContact OE2-NE1 2.8Å; W186-L212 HydrophobicContact CE3-CD1 3.52Å; W186-L212 HydrophobicContact CZ3-CD1 3.86Å; W186-L217 HydrophobicContact CH2-CD1 4.2Å; W186-L217 HydrophobicContact CH2-CD2 3.6Å; W186-L217 HydrophobicContact CH2-CG 3.91Å; W186-L217 HydrophobicContact CZ2-CD2 4.48Å; W186-L217 HydrophobicContact CZ3-CD1 3.92Å; W186-L217 HydrophobicContact CZ3-CD2 4.16Å; W186-L217 HydrophobicContact CZ3-CG 3.97Å; W186-D320 CarbonylContact O-C 3.54Å; W186-D320 VanDerWaalsContact O-CA 3.3Å; W186-D320 WeakPolarHBondContact O-CA 3.48Å; W186-I321 PolarHBondContact N-O 2.85Å; W186-I321 PolarHBondContact O-N 3.33Å; W186-V323 HydrophobicContact CD2-CG2 3.78Å; W186-V323 HydrophobicContact CE3-CG2 3.9Å; W186-V323 HydrophobicContact CG-CG2 4.37Å; W186-V323 HydrophobicContact CH2-CG2 4.19Å; W186-V323 HydrophobicContact CZ2-CG2 4.06Å; W186-V323 HydrophobicContact CZ3-CG2 4.1Å; W186-V336 HydrophobicContact CZ2-CG2 4.36Å; W186-Y337 HydrophobicContact CZ2-CE1 4.21Å |
| 187 | S | 79.9 | Confident | 69.7 | Low | 9 Ų | 9 | 59.3 Ų | 59.3 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 137.8 | -177.9 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | R189 | S187-R189 PolarHBondContact OG-O 3.28Å |
| 188 | L | 75.4 | Confident | 66.6 | Low | 16 Ų | 16 | 70.3 Ų | 70.3 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | trans | -97 | -28.5 | 176.7 | -62.8 | 173.9 | 0 | 0 | 0 | 113.2 | L212 F314 F318 D319 I321 | L188-L212 HydrophobicContact CD2-CB 3.45Å; L188-L212 VanDerWaalsContact CD2-CB 3.45Å; L188-L212 HydrophobicContact CD2-CD2 3.41Å; L188-L212 VanDerWaalsContact CD2-CD2 3.41Å; L188-L212 HydrophobicContact CD2-CG 3.96Å; L188-F314 HydrophobicContact CD1-CE1 4.42Å; L188-F318 WeakPolarHBondContact CB-O 3.37Å; L188-F318 HydrophobicContact CD1-CB 3.5Å; L188-F318 WeakPolarHBondContact CD1-O 3.23Å; L188-D319 WeakPolarHBondContact CB-O 3.48Å; L188-D319 PolarHBondContact N-O 3.22Å; L188-I321 HydrophobicContact CD1-CD1 4.01Å; L188-I321 HydrophobicContact CD1-CG1 3.84Å; L188-I321 HydrophobicContact CD2-CD1 3.61Å; L188-I321 HydrophobicContact CD2-CG1 4.1Å; L188-I321 HydrophobicContact CG-CD1 4.18Å; L188-I321 HydrophobicContact CG-CG1 4.14Å | ||
| 189 | R | 66.4 | Low | 63.4 | Low | 94 Ų | 94 | 79.2 Ų | 79.2 | 36% | 0.355 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -85.4 | 138.4 | -179.7 | -64.8 | -171.6 | 176 | 170.1 | -2.9 | 112 | S187 D319 | S187-R189 PolarHBondContact OG-O 3.28Å; R189-D319 WeakPolarHBondContact CD-OD1 3.21Å; R189-D319 VanDerWaalsContact CZ-CG 3.46Å; R189-D319 IonicContact CZ-OD1 3.64Å; R189-D319 IonicContact CZ-OD2 2.82Å; R189-D319 IonicContact NE-OD1 3.64Å; R189-D319 PolarHBondContact NE-OD1 3.41Å; R189-D319 IonicContact NH1-OD1 3.88Å; R189-D319 PolarHBondContact NH1-OD1 3Å; R189-D319 IonicContact NH1-OD2 3.91Å; R189-D319 IonicContact NH2-OD1 2.7Å; R189-D319 IonicContact NH2-OD2 3.26Å |
| 190 | E | 51.5 | Low | 60.4 | Low | 142 Ų | 142 | 82 Ų | 82 | 66% | 0.664 | 41% | 0.406 | S | S | * | . | trans | -74.5 | 125.3 | 171.4 | -68.7 | -178.8 | 168 | 0 | 0 | 109.1 | K211 | E190-K211 IonicContact OE1-NZ 3.4Å; E190-K211 PolarHBondContact OE1-NZ 3.05Å | ||
| 191 | F | 39.5 | Very low | 57.7 | Low | 163 Ų | 163 | 87.2 Ų | 87.2 | 72% | 0.715 | 43% | 0.434 | S | S | * | . | trans | -90.4 | 110 | 167.5 | -76.6 | -86.3 | 0 | 0 | 0 | 107.9 | ||||
| 192 | G | 39.9 | Very low | 54.8 | Low | 48 Ų | 48 | 95.2 Ų | 95.2 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 115.8 | 121.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 193 | S | 33 | Very low | 51.7 | Low | 83 Ų | 83 | 102 Ų | 102 | 58% | 0.58 | 51% | 0.512 | S | S | * | . | trans | -71.9 | 143.1 | 169.1 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | K195 E196 | S193-K195 PolarHBondContact O-N 3.24Å; S193-E196 PolarHBondContact O-N 3.4Å; S193-E196 VanDerWaalsContact O-N 3.12Å | ||
| 194 | D | 38.4 | Very low | 49 | Very low | 118 Ų | 118 | 106.4 Ų | 106.4 | 63% | 0.631 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.9 | -7.9 | 177.7 | -57.9 | -15.3 | 0 | 0 | 0 | 117.4 | ||
| 195 | K | 35.7 | Very low | 46.5 | Very low | 191 Ų | 191 | 112.8 Ų | 112.8 | 83% | 0.83 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -22.4 | 175.5 | -74.4 | -171.5 | 176.3 | -179.5 | 0 | 114.3 | S193 | S193-K195 PolarHBondContact O-N 3.24Š|
| 196 | E | 35.8 | Very low | 44.1 | Very low | 143 Ų | 143 | 118.5 Ų | 118.5 | 67% | 0.668 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -89.3 | -10.1 | 175.3 | -72.8 | 176.2 | 162.8 | 0 | 0 | 112.7 | S193 R198 | S193-E196 PolarHBondContact O-N 3.4Å; S193-E196 VanDerWaalsContact O-N 3.12Å; E196-R198 VanDerWaalsContact C-N 3.25Å; E196-R198 PolarHBondContact O-N 3.37Å |
| 197 | E | 39.5 | Very low | 41.9 | Very low | 122 Ų | 122 | 123 Ų | 123 | 57% | 0.57 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -17.9 | -178.8 | -75.6 | -164.2 | 132.6 | 0 | 0 | 114.5 | ||
| 198 | R | 31.8 | Very low | 39.8 | Very low | 230 Ų | 230 | 132 Ų | 132 | 87% | 0.868 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -10.4 | -174 | -72.7 | -173.6 | 175.6 | -161.5 | -1.2 | 115.4 | E196 | E196-R198 VanDerWaalsContact C-N 3.25Å; E196-R198 PolarHBondContact O-N 3.37Å |
| 199 | E | 31.8 | Very low | 38.5 | Very low | 188 Ų | 188 | 136.9 Ų | 136.9 | 88% | 0.879 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -7.3 | 179.3 | -68.7 | -171 | 163.6 | 0 | 0 | 114.1 | V201 | E199-V201 PolarHBondContact O-N 2.82Š|
| 200 | A | 31.7 | Very low | 37.8 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 56% | 0.562 | 68% | 0.684 | S | S | * | * | trans | -96.2 | 43 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 201 | V | 37.2 | Very low | 38.3 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -94.9 | -1.1 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 113.1 | E199 | E199-V201 PolarHBondContact O-N 2.82Š|
| 202 | L | 33.9 | Very low | 39.4 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 89% | 0.89 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -141.6 | 50 | -175.2 | -69.2 | 169.2 | 0 | 0 | 0 | 113.7 | ||
| 203 | D | 29.8 | Very low | 40.9 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 65% | 0.647 | S | S | * | * | trans | -160.2 | 147.9 | 145.4 | -146.2 | -14.4 | 0 | 0 | 0 | 111.7 | ||||
| 204 | S | 38.3 | Very low | 43 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 67% | 0.671 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -58.5 | 149 | 179.4 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 205 | D | 37.2 | Very low | 45 | Very low | 154 Ų | 154 | 125 Ų | 125 | 82% | 0.824 | 61% | 0.611 | S | S | * | * | trans | 80 | 28.6 | 149.8 | -117.3 | 17.2 | 0 | 0 | 0 | 120.4 | V207 | D205-V207 PolarHBondContact O-N 3.42Š| ||
| 206 | Q | 34.6 | Very low | 47 | Very low | 174 Ų | 174 | 119.6 Ų | 119.6 | 81% | 0.813 | 59% | 0.591 | S | S | * | * | trans | -87.6 | 103 | 167.4 | -70.1 | -166.8 | 14.5 | 0 | 0 | 113.8 | R208 | Q206-R208 PolarHBondContact O-N 3.08Š| ||
| 207 | V | 38.2 | Very low | 49.3 | Very low | 104 Ų | 104 | 112.8 Ų | 112.8 | 63% | 0.63 | 56% | 0.559 | S | S | * | * | trans | 15.2 | 96.2 | 147.7 | -168.3 | 0 | 0 | 0 | 0 | 116.6 | D205 | D205-V207 PolarHBondContact O-N 3.42Š| ||
| 208 | R | 36.8 | Very low | 51.4 | Low | 197 Ų | 197 | 110.2 Ų | 110.2 | 74% | 0.743 | 55% | 0.554 | S | S | * | * | trans | -118.2 | 104.8 | 152.2 | -74.2 | -175.6 | 174.6 | -174.7 | -4.1 | 108.8 | Q206 | Q206-R208 PolarHBondContact O-N 3.08Š| ||
| 209 | R | 47.2 | Very low | 53.9 | Low | 119 Ų | 119 | 102.3 Ų | 102.3 | 45% | 0.449 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 139 | 158.8 | -75.3 | -175.3 | 176.4 | 160.6 | -3 | 107 | K211 | R209-K211 PolarHBondContact O-N 2.76Å; R209-K211 VanDerWaalsContact O-N 3.17Å |
| 210 | K | 52.6 | Low | 56.5 | Low | 80 Ų | 80 | 93.4 Ų | 93.4 | 35% | 0.348 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 122.9 | 178.4 | -75.5 | -179.4 | -179.6 | 178.6 | 0 | 109.1 | Y337 | K210-Y337 VanDerWaalsContact NZ-CZ 3.34Å; K210-Y337 PolarHBondContact NZ-OH 2.89Å |
| 211 | K | 61.7 | Low | 59.1 | Low | 150 Ų | 150 | 92.5 Ų | 92.5 | 65% | 0.652 | 48% | 0.475 | S | S | * | . | B | Isolated β-bridge | trans | -59.9 | 133.6 | 170.3 | -176.1 | 165.8 | -176.4 | 154.5 | 0 | 108.1 | E190 R209 D213 | E190-K211 IonicContact OE1-NZ 3.4Å; E190-K211 PolarHBondContact OE1-NZ 3.05Å; R209-K211 PolarHBondContact O-N 2.76Å; R209-K211 VanDerWaalsContact O-N 3.17Å; K211-D213 PolarHBondContact O-N 3.2Å |
| 212 | L | 62.6 | Low | 61.4 | Low | 21 Ų | 21 | 93.5 Ų | 93.5 | 11% | 0.11 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 125.5 | 170.4 | 177.8 | 75.4 | 0 | 0 | 0 | 108.5 | W186 L188 L214 F314 I321 | W186-L212 HydrophobicContact CE3-CD1 3.52Å; W186-L212 HydrophobicContact CZ3-CD1 3.86Å; L188-L212 HydrophobicContact CD2-CB 3.45Å; L188-L212 VanDerWaalsContact CD2-CB 3.45Å; L188-L212 HydrophobicContact CD2-CD2 3.41Å; L188-L212 VanDerWaalsContact CD2-CD2 3.41Å; L188-L212 HydrophobicContact CD2-CG 3.96Å; L212-L214 HydrophobicContact CD1-CD2 3.97Å; L212-L214 HydrophobicContact CD1-CG 4.35Å; L212-L214 HydrophobicContact CD2-CD1 4.32Å; L212-L214 HydrophobicContact CD2-CD2 3.96Å; L212-L214 HydrophobicContact CD2-CG 3.75Å; L212-L214 HydrophobicContact CG-CD2 4.3Å; L212-L214 HydrophobicContact CG-CG 4.16Å; L212-F314 HydrophobicContact CD2-CD1 4.48Å; L212-F314 HydrophobicContact CD2-CE1 4.04Å; L212-I321 HydrophobicContact CD1-CD1 3.71Å; L212-I321 HydrophobicContact CD2-CD1 3.4Å; L212-I321 VanDerWaalsContact CD2-CD1 3.4Å; L212-I321 HydrophobicContact CG-CD1 4.06Å |
| 213 | D | 70.6 | Confident | 64 | Low | 63 Ų | 63 | 89.1 Ų | 89.1 | 34% | 0.337 | 45% | 0.446 | S | S | . | . | trans | -126.8 | 102.4 | 160.3 | 178 | 6 | 0 | 0 | 0 | 106.8 | K211 N215 L216 | K211-D213 PolarHBondContact O-N 3.2Å; D213-N215 PolarHBondContact O-N 2.78Å; D213-N215 VanDerWaalsContact O-N 3.08Å; D213-N215 WeakPolarHBondContact OD1-CB 3.47Å; D213-N215 VanDerWaalsContact OD1-CG 3.26Å; D213-N215 PolarHBondContact OD1-N 3.27Å; D213-N215 PolarHBondContact OD1-ND2 2.87Å; D213-L216 HydrophobicContact CB-CD1 3.9Å; D213-L216 HydrophobicContact CB-CG 3.86Å; D213-L216 VanDerWaalsContact O-CB 3.27Å; D213-L216 WeakPolarHBondContact O-CB 3.36Å; D213-L216 PolarHBondContact O-N 2.93Å | ||
| 214 | L | 77.8 | Confident | 66.9 | Low | 2 Ų | 2 | 82.7 Ų | 82.7 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -58.3 | -20.6 | 178.4 | -71.8 | 172.5 | 0 | 0 | 0 | 111.7 | L212 L216 L217 L265 | L212-L214 HydrophobicContact CD1-CD2 3.97Å; L212-L214 HydrophobicContact CD1-CG 4.35Å; L212-L214 HydrophobicContact CD2-CD1 4.32Å; L212-L214 HydrophobicContact CD2-CD2 3.96Å; L212-L214 HydrophobicContact CD2-CG 3.75Å; L212-L214 HydrophobicContact CG-CD2 4.3Å; L212-L214 HydrophobicContact CG-CG 4.16Å; L214-L216 PolarHBondContact O-N 2.89Å; L214-L217 HydrophobicContact CD2-CD1 4.44Å; L214-L217 PolarHBondContact O-N 2.83Å; L214-L217 VanDerWaalsContact O-N 3.12Å; L214-L265 HydrophobicContact CD1-CD2 3.98Å |
| 215 | N | 79.5 | Confident | 69.5 | Low | 84 Ų | 84 | 78.4 Ų | 78.4 | 45% | 0.449 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -66.8 | -27.3 | 175 | -54.6 | -53.7 | 0 | 0 | 0 | 112.3 | D213 L217 C218 R263 | D213-N215 PolarHBondContact O-N 2.78Å; D213-N215 VanDerWaalsContact O-N 3.08Å; D213-N215 WeakPolarHBondContact OD1-CB 3.47Å; D213-N215 VanDerWaalsContact OD1-CG 3.26Å; D213-N215 PolarHBondContact OD1-N 3.27Å; D213-N215 PolarHBondContact OD1-ND2 2.87Å; N215-L217 PolarHBondContact O-N 2.74Å; N215-C218 WeakPolarHBondContact O-CB 3.44Å; N215-C218 PolarHBondContact O-N 2.95Å; N215-R263 PolarHBondContact OD1-NH1 2.72Å; N215-R263 PolarHBondContact OD1-NH2 3.27Å |
| 216 | L | 78.6 | Confident | 72.2 | Confident | 77 Ų | 77 | 71.5 Ų | 71.5 | 40% | 0.403 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -63.6 | -29.2 | 174 | -61.8 | 174.7 | 0 | 0 | 0 | 111.6 | D213 L214 | D213-L216 HydrophobicContact CB-CD1 3.9Å; D213-L216 HydrophobicContact CB-CG 3.86Å; D213-L216 VanDerWaalsContact O-CB 3.27Å; D213-L216 WeakPolarHBondContact O-CB 3.36Å; D213-L216 PolarHBondContact O-N 2.93Å; L214-L216 PolarHBondContact O-N 2.89Å |
| 217 | L | 84.9 | Confident | 75 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -89.8 | -2.2 | -179.2 | -62 | 178.5 | 0 | 0 | 0 | 113.4 | W186 L214 N215 C219 V220 K221 L226 W251 V323 V336 | W186-L217 HydrophobicContact CH2-CD1 4.2Å; W186-L217 HydrophobicContact CH2-CD2 3.6Å; W186-L217 HydrophobicContact CH2-CG 3.91Å; W186-L217 HydrophobicContact CZ2-CD2 4.48Å; W186-L217 HydrophobicContact CZ3-CD1 3.92Å; W186-L217 HydrophobicContact CZ3-CD2 4.16Å; W186-L217 HydrophobicContact CZ3-CG 3.97Å; L214-L217 HydrophobicContact CD2-CD1 4.44Å; L214-L217 PolarHBondContact O-N 2.83Å; L214-L217 VanDerWaalsContact O-N 3.12Å; N215-L217 PolarHBondContact O-N 2.74Å; L217-C219 PolarHBondContact O-N 3.09Å; L217-C219 VanDerWaalsContact O-N 3.13Å; L217-V220 HydrophobicContact CB-CG2 4.42Å; L217-V220 HydrophobicContact CD2-CG2 4.13Å; L217-V220 CarbonylContact O-C 3.58Å; L217-V220 WeakPolarHBondContact O-CG2 3.31Å; L217-V220 PolarHBondContact O-N 2.91Å; L217-K221 WeakPolarHBondContact O-CA 3.29Å; L217-K221 PolarHBondContact O-N 2.68Å; L217-L226 HydrophobicContact CD1-CD1 4.09Å; L217-L226 HydrophobicContact CD1-CD2 3.76Å; L217-L226 HydrophobicContact CD1-CG 4.44Å; L217-W251 HydrophobicContact CB-CZ2 4.15Å; L217-V323 HydrophobicContact CD1-CG1 4.38Å; L217-V323 HydrophobicContact CD1-CG2 4.34Å; L217-V323 HydrophobicContact CD2-CG1 4.01Å; L217-V336 HydrophobicContact CD2-CB 3.81Å; L217-V336 HydrophobicContact CD2-CG2 4.45Å |
| 218 | C | 81.9 | Confident | 77.5 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 46% | 0.459 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -55.5 | -35 | -177.5 | -80.5 | 0 | 0 | 0 | 0 | 113.1 | N215 V220 | N215-C218 WeakPolarHBondContact O-CB 3.44Å; N215-C218 PolarHBondContact O-N 2.95Å; C218-V220 PolarHBondContact O-N 3.47Å |
| 219 | C | 84.6 | Confident | 79.9 | Confident | 63 Ų | 63 | 49.9 Ų | 49.9 | 43% | 0.426 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -68.8 | -20.1 | 179.1 | 63.1 | 0 | 0 | 0 | 0 | 114 | L217 G339 | L217-C219 PolarHBondContact O-N 3.09Å; L217-C219 VanDerWaalsContact O-N 3.13Å; C219-G339 PolarHBondContact SG-N 3.06Å |
| 220 | V | 86.9 | Confident | 81.3 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -126.2 | 15 | -176.9 | -66.9 | 0 | 0 | 0 | 0 | 112.9 | L217 C218 E222 E223 C224 P326 S335 V336 | L217-V220 HydrophobicContact CB-CG2 4.42Å; L217-V220 HydrophobicContact CD2-CG2 4.13Å; L217-V220 CarbonylContact O-C 3.58Å; L217-V220 WeakPolarHBondContact O-CG2 3.31Å; L217-V220 PolarHBondContact O-N 2.91Å; C218-V220 PolarHBondContact O-N 3.47Å; V220-E222 VanDerWaalsContact C-N 3.3Å; V220-E222 PolarHBondContact O-N 2.81Å; V220-E222 VanDerWaalsContact O-N 3.16Å; V220-E223 PolarHBondContact O-N 2.87Å; V220-C224 HydrophobicContact CB-CB 4.32Å; V220-C224 HydrophobicContact CG2-CB 3.98Å; V220-C224 PolarHBondContact O-N 2.86Å; V220-C224 PolarHBondContact O-SG 2.76Å; V220-P326 HydrophobicContact CB-CG 3.76Å; V220-P326 HydrophobicContact CG1-CG 3.87Å; V220-P326 HydrophobicContact CG2-CG 4.48Å; V220-S335 WeakPolarHBondContact CG1-O 3.44Å; V220-V336 HydrophobicContact CG2-CB 4.24Å; V220-V336 HydrophobicContact CG2-CG1 4.42Å |
| 221 | K | 86.1 | Confident | 81.7 | Confident | 48 Ų | 48 | 44.1 Ų | 44.1 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -44 | -167.8 | 162.5 | 176.2 | 177.3 | -168.6 | 0 | 114.7 | L217 E223 W251 | L217-K221 WeakPolarHBondContact O-CA 3.29Å; L217-K221 PolarHBondContact O-N 2.68Å; K221-E223 VanDerWaalsContact C-N 3.33Å; K221-W251 VanDerWaalsContact CA-CH2 3.46Å; K221-W251 HydrophobicContact CB-CH2 3.76Å; K221-W251 HydrophobicContact CB-CZ2 3.49Å; K221-W251 VanDerWaalsContact CB-CZ2 3.49Å; K221-W251 HydrophobicContact CD-CD2 4.29Å; K221-W251 HydrophobicContact CD-CZ2 3.98Å; K221-W251 WeakPolarHBondContact CE-O 3.3Å; K221-W251 HydrophobicContact CG-CD2 4.13Å; K221-W251 HydrophobicContact CG-CE3 4.28Å; K221-W251 HydrophobicContact CG-CH2 3.58Å; K221-W251 HydrophobicContact CG-CZ2 3.38Å; K221-W251 HydrophobicContact CG-CZ3 3.99Å; K221-W251 PolarHBondContact NZ-O 2.93Å; K221-W251 WeakPolarHBondContact O-CH2 3.41Å; K221-W251 WeakPolarHBondContact O-CZ3 3.39Å |
| 222 | E | 86 | Confident | 81.2 | Confident | 146 Ų | 146 | 40 Ų | 40 | 68% | 0.682 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -10.4 | -177.3 | -57.9 | -59.2 | 148.3 | 0 | 0 | 112.7 | V220 | V220-E222 VanDerWaalsContact C-N 3.3Å; V220-E222 PolarHBondContact O-N 2.81Å; V220-E222 VanDerWaalsContact O-N 3.16Å |
| 223 | E | 88.6 | Confident | 80.4 | Confident | 77 Ų | 77 | 41.1 Ų | 41.1 | 36% | 0.36 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -23.4 | -170.9 | -52.3 | -172.5 | -112.9 | 0 | 0 | 113.7 | F82 V220 K221 P326 K334 | F82-E223 WeakPolarHBondContact CE2-O 3.37Å; V220-E223 PolarHBondContact O-N 2.87Å; K221-E223 VanDerWaalsContact C-N 3.33Å; E223-P326 HydrophobicContact CB-CB 3.69Å; E223-P326 HydrophobicContact CB-CG 3.96Å; E223-K334 IonicContact OE1-NZ 3.73Å; E223-K334 PolarHBondContact OE1-NZ 3.29Å; E223-K334 IonicContact OE2-NZ 3.78Å; E223-K334 PolarHBondContact OE2-NZ 3.44Å |
| 224 | C | 90.6 | Very high | 78.9 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 8% | 0.081 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -81.6 | 152.4 | -178.9 | 69.5 | 0 | 0 | 0 | 0 | 112 | V220 P326 | V220-C224 HydrophobicContact CB-CB 4.32Å; V220-C224 HydrophobicContact CG2-CB 3.98Å; V220-C224 PolarHBondContact O-N 2.86Å; V220-C224 PolarHBondContact O-SG 2.76Å; C224-P326 HydrophobicContact CB-CG 3.96Å |
| 225 | A | 93.1 | Very high | 77.1 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 130.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | F82 L175 V323 G324 | F82-A225 HydrophobicContact CB-CB 4.03Å; F82-A225 HydrophobicContact CD1-CB 3.96Å; F82-A225 HydrophobicContact CD2-CB 3.4Å; F82-A225 VanDerWaalsContact CD2-CB 3.4Å; F82-A225 HydrophobicContact CE1-CB 4.26Å; F82-A225 HydrophobicContact CE2-CB 3.74Å; F82-A225 HydrophobicContact CG-CB 3.51Å; F82-A225 HydrophobicContact CZ-CB 4.15Å; L175-A225 HydrophobicContact CD1-CB 4Å; L175-A225 HydrophobicContact CD2-CB 3.63Å; A225-V323 CarbonylContact O-C 3.59Å; A225-V323 WeakPolarHBondContact O-CA 3.49Å; A225-G324 PolarHBondContact N-O 3.24Å; A225-G324 PolarHBondContact O-N 2.79Å |
| 226 | L | 93.5 | Very high | 75.1 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 131.2 | 175.4 | -73.8 | -178.8 | 0 | 0 | 0 | 111.4 | L217 V248 W251 I321 T322 V323 | L217-L226 HydrophobicContact CD1-CD1 4.09Å; L217-L226 HydrophobicContact CD1-CD2 3.76Å; L217-L226 HydrophobicContact CD1-CG 4.44Å; L226-V248 HydrophobicContact CB-CB 3.69Å; L226-V248 HydrophobicContact CB-CG1 4.47Å; L226-V248 HydrophobicContact CB-CG2 4.01Å; L226-V248 HydrophobicContact CD1-CG1 4.47Å; L226-V248 PolarHBondContact O-N 3.13Å; L226-W251 HydrophobicContact CD1-CE3 4Å; L226-W251 HydrophobicContact CD1-CH2 3.45Å; L226-W251 VanDerWaalsContact CD1-CH2 3.45Å; L226-W251 HydrophobicContact CD1-CZ2 4.34Å; L226-W251 HydrophobicContact CD1-CZ3 3.29Å; L226-W251 HydrophobicContact CG-CZ3 4.43Å; L226-I321 HydrophobicContact CD2-CG2 3.86Å; L226-T322 WeakPolarHBondContact CA-O 3.43Å; L226-V323 HydrophobicContact CD2-CB 4.12Å; L226-V323 HydrophobicContact CD2-CG1 3.99Å; L226-V323 HydrophobicContact CD2-CG2 3.66Å |
| 227 | S | 93.4 | Very high | 73.2 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 145.1 | 173.5 | 175.2 | 0 | 0 | 0 | 0 | 110.1 | L246 I321 T322 | S227-L246 CarbonylContact C-O 3.59Å; S227-L246 WeakPolarHBondContact CA-O 3.44Å; S227-L246 VanDerWaalsContact CB-O 3.27Å; S227-L246 WeakPolarHBondContact CB-O 3.33Å; S227-L246 PolarHBondContact OG-O 2.77Å; S227-I321 CarbonylContact O-C 3.5Å; S227-I321 WeakPolarHBondContact O-CA 3.32Å; S227-T322 PolarHBondContact N-O 2.89Å; S227-T322 PolarHBondContact O-N 2.79Å |
| 228 | C | 90.9 | Very high | 71 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 155.8 | 173.9 | 58.2 | 0 | 0 | 0 | 0 | 110.7 | L246 F314 F318 D320 I321 | C228-L246 PolarHBondContact N-O 2.85Å; C228-L246 PolarHBondContact O-N 3Å; C228-F314 HydrophobicContact CB-CE2 3.84Å; C228-F314 HydrophobicContact CB-CZ 3.97Å; C228-F318 HydrophobicContact CB-CB 4.17Å; C228-F318 HydrophobicContact CB-CD1 3.84Å; C228-F318 HydrophobicContact CB-CD2 4.46Å; C228-F318 HydrophobicContact CB-CE1 4.43Å; C228-F318 HydrophobicContact CB-CG 3.88Å; C228-D320 WeakPolarHBondContact CA-O 3.4Å; C228-I321 HydrophobicContact CB-CG1 4.34Å |
| 229 | S | 86.5 | Confident | 68.9 | Low | 18 Ų | 18 | 52.3 Ų | 52.3 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 152.2 | 177 | 59.9 | 0 | 0 | 0 | 0 | 111.5 | H244 D319 D320 | S229-H244 WeakPolarHBondContact CA-O 3.37Å; S229-D319 PolarHBondContact O-N 2.79Å; S229-D320 PolarHBondContact N-O 2.81Å; S229-D320 VanDerWaalsContact N-O 3.07Å; S229-D320 PolarHBondContact O-N 3.47Å |
| 230 | T | 76.5 | Confident | 66.9 | Low | 17 Ų | 17 | 56 Ų | 56 | 10% | 0.104 | 34% | 0.342 | C | S | . | . | trans | -108.1 | 135.8 | 173.9 | 56.9 | 0 | 0 | 0 | 0 | 109.5 | H243 F318 D319 | T230-H243 WeakPolarHBondContact O-CA 3.21Å; T230-H243 PolarHBondContact O-N 2.79Å; T230-F318 HydrophobicContact CG2-CD1 3.56Å; T230-F318 HydrophobicContact CG2-CE1 3.85Å; T230-F318 HydrophobicContact CG2-CG 4.48Å; T230-D319 WeakPolarHBondContact CA-OD2 3.46Å | ||
| 231 | H | 61.2 | Low | 65.1 | Low | 61 Ų | 61 | 57.3 Ų | 57.3 | 28% | 0.282 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -93.4 | -15 | 172.3 | -67.5 | -59.3 | 0 | 0 | 0 | 112.8 | R185 H243 D319 D320 | R185-H231 PolarHBondContact NH2-CE1 3.39Å; R185-H231 PolarHBondContact NH2-NE2 2.99Å; R185-H231 VanDerWaalsContact NH2-NE2 3.16Å; H231-H243 AromaticContact ND1-CE1 3.53Å; H231-H243 AromaticContact ND1-ND1 3.24Å; H231-H243 PolarHBondContact ND1-ND1 3.29Å; H231-D319 HydrophobicContact CB-CB 4.44Å; H231-D319 WeakPolarHBondContact CD2-CB 3.49Å; H231-D319 IonicContact CD2-OD1 2.74Å; H231-D319 PolarHBondContact N-OD2 2.87Å; H231-D320 IonicContact CD2-OD2 3.38Å; H231-D320 IonicContact CE1-OD2 2.72Å; H231-D320 IonicContact NE2-OD2 3.67Å; H231-D320 PolarHBondContact NE2-OD2 3.3Å |
| 232 | S | 52.2 | Low | 63.7 | Low | 63 Ų | 63 | 59.4 Ų | 59.4 | 44% | 0.441 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -158.1 | 149.1 | 178.6 | -49.4 | 0 | 0 | 0 | 0 | 110.3 | P234 | S232-P234 WeakPolarHBondContact O-CD 3.24Š|
| 233 | T | 45.8 | Very low | 62.7 | Low | 46 Ų | 46 | 56.7 Ų | 56.7 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | trans | -80.4 | 125.5 | 176.5 | 0.9 | 0 | 0 | 0 | 0 | 111.2 | G235 L237 D241 | T233-G235 PolarHBondContact O-N 3.09Å; T233-L237 HydrophobicContact CG2-CB 3.76Å; T233-D241 HydrophobicContact CG2-CB 4.42Å | ||
| 234 | P | 37.7 | Very low | 62.4 | Low | 69 Ų | 69 | 53.6 Ų | 53.6 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -76.9 | 105.1 | 158.7 | -12.4 | 31.3 | 0 | 0 | 0 | 108.2 | S232 | S232-P234 WeakPolarHBondContact O-CD 3.24Š|
| 235 | G | 39.9 | Very low | 62.3 | Low | 65 Ų | 65 | 53.2 Ų | 53.2 | 67% | 0.67 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 73.9 | 91 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | T233 L237 | T233-G235 PolarHBondContact O-N 3.09Å; G235-L237 PolarHBondContact O-N 2.68Å |
| 236 | G | 37.6 | Very low | 62.3 | Low | 87 Ų | 87 | 53.4 Ų | 53.4 | 90% | 0.897 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 81.7 | 1.9 | 144.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 237 | L | 38.5 | Very low | 62.3 | Low | 84 Ų | 84 | 53.4 Ų | 53.4 | 44% | 0.44 | 33% | 0.331 | S | S | . | . | trans | -87.5 | 140.8 | 164.6 | -92.7 | 88.1 | 0 | 0 | 0 | 110.6 | T233 G235 D241 | T233-L237 HydrophobicContact CG2-CB 3.76Å; G235-L237 PolarHBondContact O-N 2.68Å; L237-D241 HydrophobicContact CB-CB 4.48Å; L237-D241 WeakPolarHBondContact CB-OD2 3.32Å; L237-D241 WeakPolarHBondContact CD2-OD2 3.36Å | ||
| 238 | G | 39.6 | Very low | 62.3 | Low | 46 Ų | 46 | 53.6 Ų | 53.6 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | trans | -64.4 | 169.8 | -165 | 0 | 0 | 0 | 0 | 0 | 115.2 | L240 D241 | G238-L240 PolarHBondContact O-N 3.14Å; G238-D241 PolarHBondContact O-N 3.12Å; G238-D241 VanDerWaalsContact O-N 3.07Å | ||
| 239 | E | 38.1 | Very low | 62.4 | Low | 177 Ų | 177 | 54.3 Ų | 54.3 | 83% | 0.827 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -53.7 | -18.7 | -177 | -69.8 | -177.1 | 151 | 0 | 0 | 114.9 | D241 | E239-D241 VanDerWaalsContact C-N 3.31Å; E239-D241 PolarHBondContact O-N 2.6Å |
| 240 | L | 42.1 | Very low | 62.6 | Low | 141 Ų | 141 | 54.5 Ų | 54.5 | 74% | 0.738 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -73.7 | -13.8 | 178.2 | -116.8 | 81.6 | 0 | 0 | 0 | 114.9 | G238 | G238-L240 PolarHBondContact O-N 3.14Š|
| 241 | D | 49.8 | Very low | 63.4 | Low | 29 Ų | 29 | 54.2 Ų | 54.2 | 16% | 0.155 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -98.6 | 6 | -173.7 | -62.4 | -44.5 | 0 | 0 | 0 | 113.6 | T233 L237 G238 E239 W271 | T233-D241 HydrophobicContact CG2-CB 4.42Å; L237-D241 HydrophobicContact CB-CB 4.48Å; L237-D241 WeakPolarHBondContact CB-OD2 3.32Å; L237-D241 WeakPolarHBondContact CD2-OD2 3.36Å; G238-D241 PolarHBondContact O-N 3.12Å; G238-D241 VanDerWaalsContact O-N 3.07Å; E239-D241 VanDerWaalsContact C-N 3.31Å; E239-D241 PolarHBondContact O-N 2.6Å; D241-W271 WeakPolarHBondContact OD1-CH2 3.43Å; D241-W271 WeakPolarHBondContact OD1-CZ3 3.47Å |
| 242 | Q | 56.2 | Low | 64.9 | Low | 92 Ų | 92 | 53.2 Ų | 53.2 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 138.3 | 176.4 | -60.5 | 179.1 | 12.7 | 0 | 0 | 110.7 | H244 | Q242-H244 VanDerWaalsContact C-N 3.28Å; Q242-H244 PolarHBondContact O-N 3.44Å |
| 243 | H | 65.2 | Low | 66.8 | Low | 90 Ų | 90 | 54.3 Ų | 54.3 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 31.7 | 178.4 | -52.8 | -67.2 | 0 | 0 | 0 | 114.6 | T230 H231 K411 | T230-H243 WeakPolarHBondContact O-CA 3.21Å; T230-H243 PolarHBondContact O-N 2.79Å; H231-H243 AromaticContact ND1-CE1 3.53Å; H231-H243 AromaticContact ND1-ND1 3.24Å; H231-H243 PolarHBondContact ND1-ND1 3.29Å; H243-K411 PolarHBondContact NE2-NZ 2.72Å |
| 244 | H | 83 | Confident | 69.1 | Low | 11 Ų | 11 | 52.8 Ų | 52.8 | 5% | 0.051 | 32% | 0.319 | C | S | . | . | trans | -86 | 137.9 | 175.6 | -169 | 50.9 | 0 | 0 | 0 | 111.7 | C74 S229 Q242 N269 W271 | C74-H244 WeakPolarHBondContact CB-CE1 3.39Å; C74-H244 WeakPolarHBondContact CB-ND1 3.37Å; C74-H244 PolarHBondContact SG-ND1 2.86Å; S229-H244 WeakPolarHBondContact CA-O 3.37Å; Q242-H244 VanDerWaalsContact C-N 3.28Å; Q242-H244 PolarHBondContact O-N 3.44Å; H244-N269 PolarHBondContact NE2-OD1 2.86Å; H244-W271 HydrophobicContact CB-CH2 4.43Å; H244-W271 AromaticContact CD2-CH2 3.93Å; H244-W271 AromaticContact CE1-CD2 3.84Å; H244-W271 AromaticContact CE1-CE2 3.4Å; H244-W271 AromaticContact CE1-CZ2 3.64Å; H244-W271 AromaticContact CE1-NE1 3.58Å; H244-W271 AromaticContact CG-CH2 3.96Å; H244-W271 AromaticContact CG-CZ2 3.91Å; H244-W271 AromaticContact ND1-CE2 3.89Å; H244-W271 AromaticContact ND1-CZ2 3.66Å; H244-W271 AromaticContact NE2-CD2 3.67Å; H244-W271 AromaticContact NE2-CE2 3.68Å; H244-W271 AromaticContact NE2-CE3 3.9Å; H244-W271 AromaticContact NE2-CZ2 3.91Å | ||
| 245 | A | 88.3 | Confident | 71.8 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 133.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | C74 V171 P270 | C74-A245 HydrophobicContact CB-CB 4.42Å; C74-A245 PolarHBondContact SG-N 2.77Å; V171-A245 HydrophobicContact CG2-CB 3.6Å; A245-P270 WeakPolarHBondContact O-CD 3.11Å; A245-P270 WeakPolarHBondContact O-CG 3.47Å |
| 246 | L | 92.1 | Very high | 74.4 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 155.6 | 174.2 | -52.7 | 94.3 | 0 | 0 | 0 | 110.3 | S227 C228 I267 R268 N269 F307 F318 | S227-L246 CarbonylContact C-O 3.59Å; S227-L246 WeakPolarHBondContact CA-O 3.44Å; S227-L246 VanDerWaalsContact CB-O 3.27Å; S227-L246 WeakPolarHBondContact CB-O 3.33Å; S227-L246 PolarHBondContact OG-O 2.77Å; C228-L246 PolarHBondContact N-O 2.85Å; C228-L246 PolarHBondContact O-N 3Å; L246-I267 HydrophobicContact CB-CG2 3.6Å; L246-I267 HydrophobicContact CD2-CG2 3.75Å; L246-I267 HydrophobicContact CG-CG2 4.31Å; L246-R268 WeakPolarHBondContact CB-O 3.47Å; L246-N269 HydrophobicContact CD2-CB 4.12Å; L246-F307 HydrophobicContact CD2-CE1 4Å; L246-F307 HydrophobicContact CD2-CZ 3.78Å; L246-F318 HydrophobicContact CD1-CE1 3.75Å |
| 247 | T | 93.3 | Very high | 77 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 132.3 | 178.9 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | C78 T81 M249 I267 R268 | C78-T247 WeakPolarHBondContact CA-OG1 3.48Å; C78-T247 PolarHBondContact SG-OG1 3.41Å; T81-T247 HydrophobicContact CG2-CG2 3.96Å; T247-M249 HydrophobicContact CG2-SD 3.65Å; T247-M249 PolarHBondContact O-N 3.38Å; T247-I267 CarbonylContact O-C 3.59Å; T247-I267 WeakPolarHBondContact O-CA 3.29Å; T247-R268 PolarHBondContact N-O 3.47Å; T247-R268 PolarHBondContact O-N 3.5Å |
| 248 | V | 93.9 | Very high | 79.5 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 111.8 | 168.2 | -174.8 | 0 | 0 | 0 | 0 | 107.4 | L226 W251 L265 I267 F314 | L226-V248 HydrophobicContact CB-CB 3.69Å; L226-V248 HydrophobicContact CB-CG1 4.47Å; L226-V248 HydrophobicContact CB-CG2 4.01Å; L226-V248 HydrophobicContact CD1-CG1 4.47Å; L226-V248 PolarHBondContact O-N 3.13Å; V248-W251 HydrophobicContact CG1-CE3 4.25Å; V248-L265 HydrophobicContact CG1-CD2 4.3Å; V248-I267 HydrophobicContact CB-CD1 4.1Å; V248-I267 HydrophobicContact CG1-CD1 4.09Å; V248-I267 HydrophobicContact CG2-CD1 3.73Å; V248-F314 HydrophobicContact CG2-CE2 4.37Å; V248-F314 HydrophobicContact CG2-CZ 4.16Å |
| 249 | M | 92.2 | Very high | 81.9 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -40.5 | -174.2 | -64.5 | -57 | -71.5 | 0 | 0 | 112.4 | T81 K85 T247 R266 R268 | T81-M249 HydrophobicContact CG2-CE 3.95Å; T81-M249 HydrophobicContact CG2-SD 3.69Å; K85-M249 PolarHBondContact NZ-O 2.88Å; T247-M249 HydrophobicContact CG2-SD 3.65Å; T247-M249 PolarHBondContact O-N 3.38Å; M249-R266 HydrophobicContact CB-CB 4.44Å; M249-R266 HydrophobicContact CB-CG 4.41Å; M249-R266 PolarHBondContact N-O 2.81Å; M249-R268 HydrophobicContact CG-CB 3.53Å; M249-R268 HydrophobicContact SD-CB 3.87Å |
| 250 | E | 91.7 | Very high | 84.6 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 161.9 | 174.8 | 80.6 | -166.2 | 119.4 | 0 | 0 | 110.1 | L265 R266 R301 W308 | E250-L265 WeakPolarHBondContact O-CA 3.31Å; E250-R266 HydrophobicContact CG-CB 3.81Å; E250-R266 PolarHBondContact O-N 2.8Å; E250-R266 IonicContact OE1-CZ 3.58Å; E250-R266 IonicContact OE1-NE 3.74Å; E250-R266 PolarHBondContact OE1-NE 3.07Å; E250-R266 IonicContact OE1-NH2 3.56Å; E250-R266 PolarHBondContact OE1-NH2 2.87Å; E250-R301 IonicContact OE2-NH1 3.83Å; E250-R301 PolarHBondContact OE2-NH1 3.49Å; E250-R301 VanDerWaalsContact OE2-NH1 3.1Å; E250-W308 VanDerWaalsContact CD-CH2 3.43Å; E250-W308 HydrophobicContact CG-CH2 3.57Å; E250-W308 HydrophobicContact CG-CZ2 4.35Å; E250-W308 HydrophobicContact CG-CZ3 4.08Å; E250-W308 WeakPolarHBondContact OE1-CH2 3.37Å; E250-W308 WeakPolarHBondContact OE1-CZ2 3.43Å |
| 251 | W | 92.7 | Very high | 87 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 4% | 0.038 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 147.8 | 165.3 | 65.5 | 101.6 | 0 | 0 | 0 | 110.5 | L217 K221 L226 V248 L264 L265 | L217-W251 HydrophobicContact CB-CZ2 4.15Å; K221-W251 VanDerWaalsContact CA-CH2 3.46Å; K221-W251 HydrophobicContact CB-CH2 3.76Å; K221-W251 HydrophobicContact CB-CZ2 3.49Å; K221-W251 VanDerWaalsContact CB-CZ2 3.49Å; K221-W251 HydrophobicContact CD-CD2 4.29Å; K221-W251 HydrophobicContact CD-CZ2 3.98Å; K221-W251 WeakPolarHBondContact CE-O 3.3Å; K221-W251 HydrophobicContact CG-CD2 4.13Å; K221-W251 HydrophobicContact CG-CE3 4.28Å; K221-W251 HydrophobicContact CG-CH2 3.58Å; K221-W251 HydrophobicContact CG-CZ2 3.38Å; K221-W251 HydrophobicContact CG-CZ3 3.99Å; K221-W251 PolarHBondContact NZ-O 2.93Å; K221-W251 WeakPolarHBondContact O-CH2 3.41Å; K221-W251 WeakPolarHBondContact O-CZ3 3.39Å; L226-W251 HydrophobicContact CD1-CE3 4Å; L226-W251 HydrophobicContact CD1-CH2 3.45Å; L226-W251 VanDerWaalsContact CD1-CH2 3.45Å; L226-W251 HydrophobicContact CD1-CZ2 4.34Å; L226-W251 HydrophobicContact CD1-CZ3 3.29Å; L226-W251 HydrophobicContact CG-CZ3 4.43Å; V248-W251 HydrophobicContact CG1-CE3 4.25Å; W251-L264 CarbonylContact C-O 3.5Å; W251-L264 WeakPolarHBondContact CA-O 3.46Å; W251-L265 HydrophobicContact CB-CB 4.49Å; W251-L265 HydrophobicContact CB-CD2 4.39Å; W251-L265 HydrophobicContact CB-CG 3.87Å |
| 252 | L | 92.8 | Very high | 89.1 | Confident | 40 Ų | 40 | 52 Ų | 52 | 21% | 0.209 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 140.6 | -173.3 | -62.2 | 165.3 | 0 | 0 | 0 | 110.5 | V254 R263 L264 L298 W308 | L252-V254 HydrophobicContact CB-CG2 4.18Å; L252-R263 CarbonylContact O-C 3.54Å; L252-R263 WeakPolarHBondContact O-CA 3.21Å; L252-L264 PolarHBondContact N-O 3.41Å; L252-L264 PolarHBondContact O-N 3.34Å; L252-L298 HydrophobicContact CD1-CD2 3.86Å; L252-W308 HydrophobicContact CD1-CH2 4.02Å |
| 253 | D | 92.6 | Very high | 90.8 | Very high | 86 Ų | 86 | 48.7 Ų | 48.7 | 46% | 0.46 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 121.5 | 167.6 | -65.1 | -38.3 | 0 | 0 | 0 | 108.8 | R263 | D253-R263 VanDerWaalsContact OD1-CB 3.29Å; D253-R263 WeakPolarHBondContact OD1-CB 3.11Å; D253-R263 IonicContact OD1-CZ 2.67Å; D253-R263 IonicContact OD1-NE 3.22Å; D253-R263 PolarHBondContact OD1-NE 2.82Å; D253-R263 IonicContact OD1-NH2 2.64Å; D253-R263 PolarHBondContact OD1-NH2 2.87Å; D253-R263 IonicContact OD2-CZ 3.91Å; D253-R263 IonicContact OD2-NE 3.15Å; D253-R263 IonicContact OD2-NH2 2.66Å; D253-R263 PolarHBondContact OD2-NH2 2.9Å |
| 254 | V | 94 | Very high | 92.2 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134.2 | -174 | -168.8 | 0 | 0 | 0 | 0 | 109.6 | L252 E261 V262 L264 L290 L298 | L252-V254 HydrophobicContact CB-CG2 4.18Å; V254-E261 CarbonylContact O-C 3.49Å; V254-E261 WeakPolarHBondContact O-CA 3.36Å; V254-V262 HydrophobicContact CB-CG1 4.46Å; V254-V262 PolarHBondContact N-O 3.16Å; V254-V262 PolarHBondContact O-N 3.31Å; V254-L264 HydrophobicContact CG2-CD1 4.14Å; V254-L264 HydrophobicContact CG2-CG 4.43Å; V254-L290 HydrophobicContact CB-CD2 4.35Å; V254-L290 HydrophobicContact CG1-CD1 4.01Å; V254-L290 HydrophobicContact CG1-CD2 3.74Å; V254-L290 HydrophobicContact CG1-CG 4.47Å; V254-L298 HydrophobicContact CG2-CD1 4.1Å |
| 255 | R | 94.4 | Very high | 92.8 | Very high | 172 Ų | 172 | 43.9 Ų | 43.9 | 65% | 0.649 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 126 | 176.9 | -174.7 | 170.7 | -73.4 | -177.1 | -2.6 | 110.7 | ||
| 256 | K | 93.7 | Very high | 93 | Very high | 60 Ų | 60 | 45.7 Ų | 45.7 | 26% | 0.261 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -75.2 | 160.1 | 171.4 | -59.5 | -171.4 | -167.6 | -179.1 | 0 | 111.1 | S258 G259 S260 V262 F289 L290 | K256-S258 WeakPolarHBondContact CB-OG 3.23Å; K256-S258 PolarHBondContact O-N 3.46Å; K256-G259 PolarHBondContact O-N 3.35Å; K256-S260 VanDerWaalsContact CB-O 3.28Å; K256-S260 WeakPolarHBondContact CB-O 3.21Å; K256-S260 WeakPolarHBondContact CG-O 3.48Å; K256-S260 PolarHBondContact N-O 3.24Å; K256-V262 HydrophobicContact CD-CG1 4.39Å; K256-V262 VanDerWaalsContact CE-CB 3.4Å; K256-V262 HydrophobicContact CG-CB 4.42Å; K256-V262 HydrophobicContact CG-CG1 3.85Å; K256-F289 CarbonylContact C-O 3.6Å; K256-F289 WeakPolarHBondContact CA-O 3.21Å; K256-F289 WeakPolarHBondContact CB-O 3.41Å; K256-F289 HydrophobicContact CD-CB 4.23Å; K256-F289 HydrophobicContact CG-CB 4.47Å; K256-L290 HydrophobicContact CG-CD2 4.34Å |
| 257 | V | 93.1 | Very high | 93 | Very high | 110 Ų | 110 | 45.2 Ų | 45.2 | 67% | 0.667 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.9 | 171.9 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | G259 F289 | V257-G259 PolarHBondContact O-N 3.45Å; V257-F289 PolarHBondContact N-O 3.25Å |
| 258 | S | 91.5 | Very high | 92.9 | Very high | 93 Ų | 93 | 45 Ų | 45 | 65% | 0.65 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -7.7 | 174.1 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | K256 S260 | K256-S258 WeakPolarHBondContact CB-OG 3.23Å; K256-S258 PolarHBondContact O-N 3.46Å; S258-S260 VanDerWaalsContact C-N 3.33Å; S258-S260 PolarHBondContact O-N 3.36Å; S258-S260 PolarHBondContact OG-OG 3.12Å |
| 259 | G | 90.3 | Very high | 92.7 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 88.9 | -16.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | K256 V257 | K256-G259 PolarHBondContact O-N 3.35Å; V257-G259 PolarHBondContact O-N 3.45Å |
| 260 | S | 92.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 44.2 Ų | 44.2 | 40% | 0.399 | 24% | 0.238 | S | C | . | . | trans | -74.6 | 154.1 | 172.7 | 59.3 | 0 | 0 | 0 | 0 | 111.9 | K256 S258 | K256-S260 VanDerWaalsContact CB-O 3.28Å; K256-S260 WeakPolarHBondContact CB-O 3.21Å; K256-S260 WeakPolarHBondContact CG-O 3.48Å; K256-S260 PolarHBondContact N-O 3.24Å; S258-S260 VanDerWaalsContact C-N 3.33Å; S258-S260 PolarHBondContact O-N 3.36Å; S258-S260 PolarHBondContact OG-OG 3.12Å | ||
| 261 | E | 93.4 | Very high | 91.9 | Very high | 125 Ų | 125 | 45.2 Ų | 45.2 | 58% | 0.584 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 154.6 | 174.4 | -68.6 | 179 | 159.6 | 0 | 0 | 112.3 | V254 | V254-E261 CarbonylContact O-C 3.49Å; V254-E261 WeakPolarHBondContact O-CA 3.36Å |
| 262 | V | 93.3 | Very high | 90.9 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 10% | 0.097 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 133.6 | 170 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | V254 K256 L264 W280 L290 D310 | V254-V262 HydrophobicContact CB-CG1 4.46Å; V254-V262 PolarHBondContact N-O 3.16Å; V254-V262 PolarHBondContact O-N 3.31Å; K256-V262 HydrophobicContact CD-CG1 4.39Å; K256-V262 VanDerWaalsContact CE-CB 3.4Å; K256-V262 HydrophobicContact CG-CB 4.42Å; K256-V262 HydrophobicContact CG-CG1 3.85Å; V262-L264 HydrophobicContact CG1-CD2 4.39Å; V262-L264 HydrophobicContact CG1-CG 4.39Å; V262-L264 HydrophobicContact CG2-CD2 3.85Å; V262-L264 HydrophobicContact CG2-CG 4.47Å; V262-W280 HydrophobicContact CG1-CH2 4.13Å; V262-W280 HydrophobicContact CG1-CZ2 4.22Å; V262-W280 HydrophobicContact CG2-CZ2 4.16Å; V262-L290 HydrophobicContact CG1-CD2 4.24Å; V262-D310 HydrophobicContact CG2-CB 3.8Å |
| 263 | R | 93.1 | Very high | 90 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 119.5 | 171.2 | -176.4 | 163 | -69.6 | 167 | -4.3 | 110 | N215 L252 D253 L265 D310 E311 | N215-R263 PolarHBondContact OD1-NH1 2.72Å; N215-R263 PolarHBondContact OD1-NH2 3.27Å; L252-R263 CarbonylContact O-C 3.54Å; L252-R263 WeakPolarHBondContact O-CA 3.21Å; D253-R263 VanDerWaalsContact OD1-CB 3.29Å; D253-R263 WeakPolarHBondContact OD1-CB 3.11Å; D253-R263 IonicContact OD1-CZ 2.67Å; D253-R263 IonicContact OD1-NE 3.22Å; D253-R263 PolarHBondContact OD1-NE 2.82Å; D253-R263 IonicContact OD1-NH2 2.64Å; D253-R263 PolarHBondContact OD1-NH2 2.87Å; D253-R263 IonicContact OD2-CZ 3.91Å; D253-R263 IonicContact OD2-NE 3.15Å; D253-R263 IonicContact OD2-NH2 2.66Å; D253-R263 PolarHBondContact OD2-NH2 2.9Å; R263-L265 HydrophobicContact CG-CD1 4.34Å; R263-D310 CarbonylContact O-C 3.46Å; R263-D310 VanDerWaalsContact O-CA 3.27Å; R263-D310 WeakPolarHBondContact O-CA 3.41Å; R263-E311 HydrophobicContact CB-CB 3.98Å; R263-E311 HydrophobicContact CG-CB 4.23Å; R263-E311 IonicContact NH1-OE1 3.1Å; R263-E311 PolarHBondContact NH1-OE1 3.32Å; R263-E311 IonicContact NH1-OE2 2.84Å; R263-E311 PolarHBondContact O-N 2.77Å |
| 264 | L | 94.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 138.7 | 177 | -61 | -177 | 0 | 0 | 0 | 110.5 | W251 L252 V254 V262 W280 L290 L298 W308 L309 D310 | W251-L264 CarbonylContact C-O 3.5Å; W251-L264 WeakPolarHBondContact CA-O 3.46Å; L252-L264 PolarHBondContact N-O 3.41Å; L252-L264 PolarHBondContact O-N 3.34Å; V254-L264 HydrophobicContact CG2-CD1 4.14Å; V254-L264 HydrophobicContact CG2-CG 4.43Å; V262-L264 HydrophobicContact CG1-CD2 4.39Å; V262-L264 HydrophobicContact CG1-CG 4.39Å; V262-L264 HydrophobicContact CG2-CD2 3.85Å; V262-L264 HydrophobicContact CG2-CG 4.47Å; L264-W280 HydrophobicContact CD1-CD2 4.36Å; L264-W280 HydrophobicContact CD1-CE3 3.81Å; L264-W280 HydrophobicContact CD1-CH2 4.13Å; L264-W280 HydrophobicContact CD1-CZ3 3.68Å; L264-W280 HydrophobicContact CD2-CD2 3.5Å; L264-W280 VanDerWaalsContact CD2-CD2 3.5Å; L264-W280 HydrophobicContact CD2-CE3 3.82Å; L264-W280 HydrophobicContact CD2-CG 4.03Å; L264-W280 HydrophobicContact CD2-CH2 3.93Å; L264-W280 HydrophobicContact CD2-CZ2 3.63Å; L264-W280 HydrophobicContact CD2-CZ3 4.03Å; L264-W280 HydrophobicContact CG-CZ3 4.5Å; L264-L290 HydrophobicContact CD1-CD1 4.15Å; L264-L298 HydrophobicContact CD1-CD1 4.09Å; L264-W308 HydrophobicContact CB-CE3 3.75Å; L264-W308 HydrophobicContact CB-CZ3 3.92Å; L264-L309 CarbonylContact C-O 3.41Å; L264-L309 WeakPolarHBondContact CA-O 3.38Å; L264-D310 HydrophobicContact CD2-CB 4.05Å |
| 265 | L | 93.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.9 | 176.9 | -62.4 | 90.4 | 0 | 0 | 0 | 109.4 | L214 V248 E250 W251 R263 I267 W308 L309 E311 F314 | L214-L265 HydrophobicContact CD1-CD2 3.98Å; V248-L265 HydrophobicContact CG1-CD2 4.3Å; E250-L265 WeakPolarHBondContact O-CA 3.31Å; W251-L265 HydrophobicContact CB-CB 4.49Å; W251-L265 HydrophobicContact CB-CD2 4.39Å; W251-L265 HydrophobicContact CB-CG 3.87Å; R263-L265 HydrophobicContact CG-CD1 4.34Å; L265-I267 HydrophobicContact CB-CD1 4.17Å; L265-W308 VanDerWaalsContact C-CE3 3.48Å; L265-W308 WeakPolarHBondContact O-CA 3.36Å; L265-L309 HydrophobicContact CB-CD1 4.14Å; L265-L309 HydrophobicContact CD1-CD1 4.23Å; L265-L309 PolarHBondContact N-O 3.45Å; L265-L309 PolarHBondContact O-N 3.45Å; L265-L309 VanDerWaalsContact O-N 3.08Å; L265-E311 HydrophobicContact CD1-CB 4.08Å; L265-F314 HydrophobicContact CD1-CB 4.26Å; L265-F314 HydrophobicContact CD1-CG 4.43Å; L265-F314 HydrophobicContact CD2-CD1 3.79Å; L265-F314 HydrophobicContact CD2-CD2 4.08Å; L265-F314 HydrophobicContact CD2-CE1 3.78Å; L265-F314 HydrophobicContact CD2-CE2 4.14Å; L265-F314 HydrophobicContact CD2-CG 3.92Å; L265-F314 HydrophobicContact CD2-CZ 3.99Å |
| 266 | R | 93.6 | Very high | 86.9 | Confident | 42 Ų | 42 | 44.2 Ų | 44.2 | 16% | 0.158 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 119.2 | 169.4 | -171.5 | 170 | 51.7 | 138.2 | -13.8 | 109.2 | M249 E250 R301 E306 F307 W308 | M249-R266 HydrophobicContact CB-CB 4.44Å; M249-R266 HydrophobicContact CB-CG 4.41Å; M249-R266 PolarHBondContact N-O 2.81Å; E250-R266 HydrophobicContact CG-CB 3.81Å; E250-R266 PolarHBondContact O-N 2.8Å; E250-R266 IonicContact OE1-CZ 3.58Å; E250-R266 IonicContact OE1-NE 3.74Å; E250-R266 PolarHBondContact OE1-NE 3.07Å; E250-R266 IonicContact OE1-NH2 3.56Å; E250-R266 PolarHBondContact OE1-NH2 2.87Å; R266-R301 PolarHBondContact NH1-O 3.01Å; R266-R301 VanDerWaalsContact NH1-O 3.09Å; R266-E306 WeakPolarHBondContact CD-OE2 3.31Å; R266-E306 HydrophobicContact CG-CB 4.42Å; R266-E306 IonicContact CZ-OE2 2.66Å; R266-E306 IonicContact NE-OE2 3.67Å; R266-E306 IonicContact NH1-OE1 2.7Å; R266-E306 IonicContact NH1-OE2 3.1Å; R266-E306 PolarHBondContact NH1-OE2 2.98Å; R266-F307 CarbonylContact C-O 3.54Å; R266-F307 WeakPolarHBondContact CA-O 3.34Å; R266-W308 HydrophobicContact CB-CD2 3.88Å; R266-W308 HydrophobicContact CB-CE3 3.88Å; R266-W308 HydrophobicContact CB-CH2 3.9Å; R266-W308 HydrophobicContact CB-CZ2 3.87Å; R266-W308 HydrophobicContact CB-CZ3 3.9Å; R266-W308 HydrophobicContact CG-CD2 4.33Å; R266-W308 HydrophobicContact CG-CZ2 4.29Å |
| 267 | I | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 143.6 | -179.1 | -53 | -56.2 | 0 | 0 | 0 | 109.5 | L246 T247 V248 L265 E306 F307 L309 F314 | L246-I267 HydrophobicContact CB-CG2 3.6Å; L246-I267 HydrophobicContact CD2-CG2 3.75Å; L246-I267 HydrophobicContact CG-CG2 4.31Å; T247-I267 CarbonylContact O-C 3.59Å; T247-I267 WeakPolarHBondContact O-CA 3.29Å; V248-I267 HydrophobicContact CB-CD1 4.1Å; V248-I267 HydrophobicContact CG1-CD1 4.09Å; V248-I267 HydrophobicContact CG2-CD1 3.73Å; L265-I267 HydrophobicContact CB-CD1 4.17Å; I267-E306 CarbonylContact O-C 3.13Å; I267-E306 WeakPolarHBondContact O-CA 3.44Å; I267-F307 HydrophobicContact CB-CD2 4.29Å; I267-F307 HydrophobicContact CB-CE1 4.26Å; I267-F307 HydrophobicContact CB-CE2 3.89Å; I267-F307 HydrophobicContact CB-CZ 3.87Å; I267-F307 HydrophobicContact CG1-CE2 4.32Å; I267-F307 HydrophobicContact CG2-CE1 4.16Å; I267-F307 HydrophobicContact CG2-CE2 4.21Å; I267-F307 HydrophobicContact CG2-CZ 3.74Å; I267-F307 PolarHBondContact N-O 3.07Å; I267-F307 PolarHBondContact O-N 3.24Å; I267-L309 HydrophobicContact CG1-CD2 3.71Å; I267-L309 HydrophobicContact CG1-CG 4.2Å; I267-F314 HydrophobicContact CD1-CD2 4.42Å; I267-F314 HydrophobicContact CD1-CE2 3.99Å |
| 268 | R | 90.9 | Very high | 85.4 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.011 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.5 | 176.4 | -178.1 | 175.7 | -172.8 | 91.3 | 17.4 | 110.8 | H142 L246 T247 M249 E306 | H142-R268 PolarHBondContact CE1-NH2 3.14Å; H142-R268 PolarHBondContact NE2-NH2 3.15Å; L246-R268 WeakPolarHBondContact CB-O 3.47Å; T247-R268 PolarHBondContact N-O 3.47Å; T247-R268 PolarHBondContact O-N 3.5Å; M249-R268 HydrophobicContact CG-CB 3.53Å; M249-R268 HydrophobicContact SD-CB 3.87Å; R268-E306 HydrophobicContact CB-CG 3.93Å; R268-E306 HydrophobicContact CG-CG 3.93Å; R268-E306 IonicContact CZ-OE1 3.32Å; R268-E306 IonicContact NH1-OE1 2.67Å; R268-E306 PolarHBondContact NH1-OE1 2.96Å |
| 269 | N | 89.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -90.2 | 119.5 | 171.1 | -173.6 | -21 | 0 | 0 | 0 | 110.5 | H244 L246 W271 G272 C275 G305 F307 | H244-N269 PolarHBondContact NE2-OD1 2.86Å; L246-N269 HydrophobicContact CD2-CB 4.12Å; N269-W271 VanDerWaalsContact ND2-CE3 3.26Å; N269-W271 PolarHBondContact O-N 3.44Å; N269-W271 VanDerWaalsContact O-N 3.1Å; N269-W271 WeakPolarHBondContact OD1-CB 3.34Å; N269-W271 PolarHBondContact OD1-N 3.17Å; N269-G272 PolarHBondContact O-N 3.04Å; N269-C275 PolarHBondContact ND2-SG 3.14Å; N269-G305 PolarHBondContact N-O 2.95Å; N269-F307 HydrophobicContact CB-CE1 4.46Å | ||
| 270 | P | 85.4 | Confident | 85.1 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20.6 | 176.8 | -26.6 | 35.4 | 0 | 0 | 0 | 115.6 | K67 Q68 C74 L77 A245 G272 | K67-P270 CarbonylContact C-O 3.4Å; K67-P270 WeakPolarHBondContact CA-O 3.33Å; Q68-P270 HydrophobicContact CB-CB 4.48Å; Q68-P270 PolarHBondContact N-O 3.32Å; C74-P270 HydrophobicContact CB-CB 4.48Å; C74-P270 HydrophobicContact CB-CG 4.34Å; L77-P270 HydrophobicContact CB-CB 4.22Å; L77-P270 HydrophobicContact CD1-CB 4.35Å; A245-P270 WeakPolarHBondContact O-CD 3.11Å; A245-P270 WeakPolarHBondContact O-CG 3.47Å; P270-G272 PolarHBondContact O-N 3.16Å |
| 271 | W | 82.3 | Confident | 84.7 | Confident | 45 Ų | 45 | 35 Ų | 35 | 17% | 0.17 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.8 | 173.7 | -66 | -34.3 | 0 | 0 | 0 | 113.9 | Q68 D241 H244 N269 R273 | Q68-W271 VanDerWaalsContact OE1-CD1 3.23Å; Q68-W271 VanDerWaalsContact OE1-NE1 3.14Å; D241-W271 WeakPolarHBondContact OD1-CH2 3.43Å; D241-W271 WeakPolarHBondContact OD1-CZ3 3.47Å; H244-W271 HydrophobicContact CB-CH2 4.43Å; H244-W271 AromaticContact CD2-CH2 3.93Å; H244-W271 AromaticContact CE1-CD2 3.84Å; H244-W271 AromaticContact CE1-CE2 3.4Å; H244-W271 AromaticContact CE1-CZ2 3.64Å; H244-W271 AromaticContact CE1-NE1 3.58Å; H244-W271 AromaticContact CG-CH2 3.96Å; H244-W271 AromaticContact CG-CZ2 3.91Å; H244-W271 AromaticContact ND1-CE2 3.89Å; H244-W271 AromaticContact ND1-CZ2 3.66Å; H244-W271 AromaticContact NE2-CD2 3.67Å; H244-W271 AromaticContact NE2-CE2 3.68Å; H244-W271 AromaticContact NE2-CE3 3.9Å; H244-W271 AromaticContact NE2-CZ2 3.91Å; N269-W271 VanDerWaalsContact ND2-CE3 3.26Å; N269-W271 PolarHBondContact O-N 3.44Å; N269-W271 VanDerWaalsContact O-N 3.1Å; N269-W271 WeakPolarHBondContact OD1-CB 3.34Å; N269-W271 PolarHBondContact OD1-N 3.17Å; W271-R273 HydrophobicContact CB-CG 3.96Å; W271-R273 PolarHBondContact O-N 3.4Å |
| 272 | G | 71.6 | Confident | 84.1 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 7% | 0.072 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 71.4 | 19.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N269 P270 E304 | N269-G272 PolarHBondContact O-N 3.04Å; P270-G272 PolarHBondContact O-N 3.16Å; G272-E304 WeakPolarHBondContact O-CG 3.21Å |
| 273 | R | 73.9 | Confident | 83.5 | Confident | 132 Ų | 132 | 42.3 Ų | 42.3 | 50% | 0.498 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -126.4 | 138.9 | 173 | 64.5 | -173.4 | 179.7 | -145.7 | -1.4 | 110.4 | W271 C275 | W271-R273 HydrophobicContact CB-CG 3.96Å; W271-R273 PolarHBondContact O-N 3.4Å; R273-C275 PolarHBondContact O-N 3.21Å |
| 274 | C | 68.4 | Low | 83.2 | Confident | 70 Ų | 70 | 41.9 Ų | 41.9 | 47% | 0.473 | 23% | 0.234 | S | C | . | . | trans | -77.6 | 115.9 | 169.8 | -178 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 275 | C | 70 | Confident | 83 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 29% | 0.291 | 27% | 0.265 | S | S | . | . | trans | -109.3 | 14.7 | 176.4 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | N269 R273 | N269-C275 PolarHBondContact ND2-SG 3.14Å; R273-C275 PolarHBondContact O-N 3.21Å | ||
| 276 | W | 76.6 | Confident | 82.8 | Confident | 50 Ų | 50 | 47.8 Ų | 47.8 | 19% | 0.189 | 27% | 0.265 | C | S | . | . | trans | -104 | 131.4 | -174.2 | -155.5 | -95.6 | 0 | 0 | 0 | 111.4 | T281 F307 E313 Q317 F318 | W276-T281 WeakPolarHBondContact O-CG2 3.14Å; W276-F307 HydrophobicContact CB-CB 4.26Å; W276-F307 HydrophobicContact CB-CD1 4.03Å; W276-F307 HydrophobicContact CB-CD2 3.42Å; W276-F307 VanDerWaalsContact CB-CD2 3.42Å; W276-F307 HydrophobicContact CB-CE1 4.19Å; W276-F307 HydrophobicContact CB-CE2 3.57Å; W276-F307 HydrophobicContact CB-CG 3.65Å; W276-F307 HydrophobicContact CB-CZ 3.97Å; W276-F307 AromaticContact CD1-CD2 3.87Å; W276-F307 HydrophobicContact CD2-CD2 4.11Å; W276-F307 AromaticContact CD2-CE2 3.56Å; W276-F307 HydrophobicContact CD2-CE2 3.56Å; W276-F307 HydrophobicContact CD2-CZ 4.16Å; W276-F307 AromaticContact CE3-CE2 3.82Å; W276-F307 HydrophobicContact CE3-CE2 3.82Å; W276-F307 AromaticContact CE3-CZ 3.99Å; W276-F307 HydrophobicContact CE3-CZ 3.99Å; W276-F307 AromaticContact CG-CD2 3.47Å; W276-F307 HydrophobicContact CG-CD2 3.47Å; W276-F307 VanDerWaalsContact CG-CD2 3.47Å; W276-F307 AromaticContact CG-CE2 3.42Å; W276-F307 HydrophobicContact CG-CE2 3.42Å; W276-F307 VanDerWaalsContact CG-CE2 3.42Å; W276-F307 HydrophobicContact CG-CG 4.21Å; W276-F307 HydrophobicContact CG-CZ 4.16Å; W276-E313 HydrophobicContact CZ2-CG 4.28Å; W276-E313 PolarHBondContact NE1-OE1 2.99Å; W276-Q317 HydrophobicContact CH2-CB 3.63Å; W276-Q317 HydrophobicContact CH2-CG 3.63Å; W276-Q317 HydrophobicContact CZ2-CB 4.07Å; W276-Q317 HydrophobicContact CZ2-CG 3.64Å; W276-F318 HydrophobicContact CZ3-CZ 4.28Å | ||
| 277 | A | 75.9 | Confident | 82.8 | Confident | 94 Ų | 94 | 46 Ų | 46 | 78% | 0.777 | 26% | 0.258 | S | S | * | . | trans | -114.7 | 112.4 | 171 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 278 | G | 80.1 | Confident | 82.9 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -164.8 | 171.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W280 T281 | G278-W280 PolarHBondContact O-N 2.84Å; G278-W280 VanDerWaalsContact O-N 3.15Å; G278-T281 VanDerWaalsContact N-CG2 3.28Å; G278-T281 WeakPolarHBondContact O-CB 3.48Å; G278-T281 WeakPolarHBondContact O-CG2 3.48Å; G278-T281 PolarHBondContact O-N 3.33Å; G278-T281 PolarHBondContact O-OG1 3.34Å |
| 279 | A | 86.1 | Confident | 83 | Confident | 35 Ų | 35 | 54.9 Ų | 54.9 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G284 I285 G286 | A279-G284 CarbonylContact O-C 3.51Å; A279-G284 WeakPolarHBondContact O-CA 3.28Å; A279-I285 HydrophobicContact CB-CG1 4.46Å; A279-I285 PolarHBondContact O-N 2.81Å; A279-G286 VanDerWaalsContact O-CA 3.24Å; A279-G286 WeakPolarHBondContact O-CA 3.43Å; A279-G286 PolarHBondContact O-N 2.92Å |
| 280 | W | 88.3 | Confident | 83.2 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.015 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 15.6 | -176.1 | -56.7 | 97.2 | 0 | 0 | 0 | 113.3 | V262 L264 G278 G286 W287 L290 W308 D310 | V262-W280 HydrophobicContact CG1-CH2 4.13Å; V262-W280 HydrophobicContact CG1-CZ2 4.22Å; V262-W280 HydrophobicContact CG2-CZ2 4.16Å; L264-W280 HydrophobicContact CD1-CD2 4.36Å; L264-W280 HydrophobicContact CD1-CE3 3.81Å; L264-W280 HydrophobicContact CD1-CH2 4.13Å; L264-W280 HydrophobicContact CD1-CZ3 3.68Å; L264-W280 HydrophobicContact CD2-CD2 3.5Å; L264-W280 VanDerWaalsContact CD2-CD2 3.5Å; L264-W280 HydrophobicContact CD2-CE3 3.82Å; L264-W280 HydrophobicContact CD2-CG 4.03Å; L264-W280 HydrophobicContact CD2-CH2 3.93Å; L264-W280 HydrophobicContact CD2-CZ2 3.63Å; L264-W280 HydrophobicContact CD2-CZ3 4.03Å; L264-W280 HydrophobicContact CG-CZ3 4.5Å; G278-W280 PolarHBondContact O-N 2.84Å; G278-W280 VanDerWaalsContact O-N 3.15Å; W280-G286 WeakPolarHBondContact CH2-O 3.43Å; W280-G286 VanDerWaalsContact CZ3-C 3.45Å; W280-G286 VanDerWaalsContact CZ3-O 3.31Å; W280-G286 WeakPolarHBondContact CZ3-O 3.28Å; W280-W287 HydrophobicContact CE3-CD2 4.03Å; W280-W287 AromaticContact CE3-CE3 3.9Å; W280-W287 HydrophobicContact CE3-CE3 3.9Å; W280-W287 HydrophobicContact CE3-CH2 4.43Å; W280-W287 HydrophobicContact CE3-CZ3 4.09Å; W280-W287 HydrophobicContact CZ3-CD2 4.44Å; W280-W287 HydrophobicContact CZ3-CE3 4.03Å; W280-W287 HydrophobicContact CZ3-CZ3 4.38Å; W280-W287 WeakPolarHBondContact O-CZ2 3.43Å; W280-W287 PolarHBondContact O-NE1 3.29Å; W280-L290 HydrophobicContact CH2-CD1 4.16Å; W280-L290 HydrophobicContact CH2-CD2 4.11Å; W280-L290 HydrophobicContact CH2-CG 3.94Å; W280-L290 HydrophobicContact CZ3-CD1 3.63Å; W280-L290 HydrophobicContact CZ3-CD2 4.42Å; W280-L290 HydrophobicContact CZ3-CG 3.81Å; W280-W308 HydrophobicContact CB-CB 3.76Å; W280-W308 WeakPolarHBondContact CB-O 3.13Å; W280-D310 PolarHBondContact NE1-OD2 2.7Å |
| 281 | T | 84.7 | Confident | 83.6 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -70 | 167.2 | 168.4 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | W276 G278 S283 G284 W287 | W276-T281 WeakPolarHBondContact O-CG2 3.14Å; G278-T281 VanDerWaalsContact N-CG2 3.28Å; G278-T281 WeakPolarHBondContact O-CB 3.48Å; G278-T281 WeakPolarHBondContact O-CG2 3.48Å; G278-T281 PolarHBondContact O-N 3.33Å; G278-T281 PolarHBondContact O-OG1 3.34Å; T281-S283 PolarHBondContact O-N 2.98Å; T281-G284 PolarHBondContact O-N 3.01Å; T281-W287 VanDerWaalsContact O-CD1 3.27Å; T281-W287 PolarHBondContact O-NE1 3.13Å |
| 282 | W | 80.6 | Confident | 84.2 | Confident | 183 Ų | 183 | 61.5 Ų | 61.5 | 69% | 0.693 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | -44.4 | -174.5 | -174.9 | -98 | 0 | 0 | 0 | 114.1 | R299 | W282-R299 HydrophobicContact CE3-CB 4.42Å; W282-R299 HydrophobicContact CZ3-CB 4.04Å; W282-R299 PolarHBondContact O-NE 3.32Å |
| 283 | S | 81.8 | Confident | 85.2 | Confident | 111 Ų | 111 | 66.3 Ų | 66.3 | 78% | 0.776 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 12.9 | 177.9 | 58.4 | 0 | 0 | 0 | 0 | 114.3 | T281 | T281-S283 PolarHBondContact O-N 2.98Š|
| 284 | G | 86.3 | Confident | 86.2 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 12% | 0.124 | 37% | 0.367 | C | S | . | . | trans | -73.6 | 152.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | A279 T281 G286 | A279-G284 CarbonylContact O-C 3.51Å; A279-G284 WeakPolarHBondContact O-CA 3.28Å; T281-G284 PolarHBondContact O-N 3.01Å; G284-G286 VanDerWaalsContact C-N 3.28Å; G284-G286 PolarHBondContact O-N 3.3Å | ||
| 285 | I | 90.8 | Very high | 87.4 | Confident | 125 Ų | 125 | 58.4 Ų | 58.4 | 64% | 0.641 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -71.4 | -21 | -178.4 | 59.2 | 166.8 | 0 | 0 | 0 | 113.6 | A279 W287 S288 | A279-I285 HydrophobicContact CB-CG1 4.46Å; A279-I285 PolarHBondContact O-N 2.81Å; I285-W287 PolarHBondContact O-N 3.13Å; I285-S288 WeakPolarHBondContact O-CB 3.48Å; I285-S288 PolarHBondContact O-N 3.19Å; I285-S288 PolarHBondContact O-OG 3.35Å |
| 286 | G | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -56.1 | -37.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A279 W280 G284 S288 F289 | A279-G286 VanDerWaalsContact O-CA 3.24Å; A279-G286 WeakPolarHBondContact O-CA 3.43Å; A279-G286 PolarHBondContact O-N 2.92Å; W280-G286 WeakPolarHBondContact CH2-O 3.43Å; W280-G286 VanDerWaalsContact CZ3-C 3.45Å; W280-G286 VanDerWaalsContact CZ3-O 3.31Å; W280-G286 WeakPolarHBondContact CZ3-O 3.28Å; G284-G286 VanDerWaalsContact C-N 3.28Å; G284-G286 PolarHBondContact O-N 3.3Å; G286-S288 VanDerWaalsContact C-N 3.25Å; G286-S288 PolarHBondContact O-N 3.36Å; G286-F289 WeakPolarHBondContact O-CB 3.29Å; G286-F289 VanDerWaalsContact O-CD2 3.25Å; G286-F289 WeakPolarHBondContact O-CD2 3.44Å; G286-F289 PolarHBondContact O-N 3.45Å |
| 287 | W | 93.8 | Very high | 89.3 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 2% | 0.019 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -63.5 | -25.4 | 178.6 | -60.6 | 112.8 | 0 | 0 | 0 | 114.9 | W280 T281 I285 F289 L290 A295 L298 R299 W308 | W280-W287 HydrophobicContact CE3-CD2 4.03Å; W280-W287 AromaticContact CE3-CE3 3.9Å; W280-W287 HydrophobicContact CE3-CE3 3.9Å; W280-W287 HydrophobicContact CE3-CH2 4.43Å; W280-W287 HydrophobicContact CE3-CZ3 4.09Å; W280-W287 HydrophobicContact CZ3-CD2 4.44Å; W280-W287 HydrophobicContact CZ3-CE3 4.03Å; W280-W287 HydrophobicContact CZ3-CZ3 4.38Å; W280-W287 WeakPolarHBondContact O-CZ2 3.43Å; W280-W287 PolarHBondContact O-NE1 3.29Å; T281-W287 VanDerWaalsContact O-CD1 3.27Å; T281-W287 PolarHBondContact O-NE1 3.13Å; I285-W287 PolarHBondContact O-N 3.13Å; W287-F289 PolarHBondContact O-N 2.9Å; W287-L290 HydrophobicContact CE3-CD1 4.19Å; W287-L290 HydrophobicContact CZ3-CD1 4.38Å; W287-L290 PolarHBondContact O-N 3Å; W287-A295 HydrophobicContact CB-CB 4.44Å; W287-A295 HydrophobicContact CE3-CB 4.27Å; W287-L298 HydrophobicContact CH2-CB 3.97Å; W287-L298 HydrophobicContact CZ3-CB 3.6Å; W287-L298 HydrophobicContact CZ3-CD1 4.17Å; W287-R299 VanDerWaalsContact CD1-NE 3.3Å; W287-R299 HydrophobicContact CD2-CG 3.86Å; W287-R299 HydrophobicContact CE3-CG 4.16Å; W287-R299 HydrophobicContact CG-CG 4.45Å; W287-R299 VanDerWaalsContact CG-NE 3.32Å; W287-R299 HydrophobicContact CH2-CG 4.13Å; W287-R299 HydrophobicContact CZ2-CG 3.8Å; W287-R299 HydrophobicContact CZ3-CG 4.3Å; W287-W308 HydrophobicContact CH2-CB 4.11Å; W287-W308 AromaticContact CH2-CD1 3.63Å; W287-W308 HydrophobicContact CH2-CD2 4.31Å; W287-W308 AromaticContact CH2-CG 3.77Å; W287-W308 HydrophobicContact CH2-CG 3.77Å; W287-W308 HydrophobicContact CZ2-CB 4.09Å; W287-W308 AromaticContact CZ2-CD1 3.8Å; W287-W308 HydrophobicContact CZ2-CG 4.07Å |
| 288 | S | 92.6 | Very high | 90.2 | Very high | 89 Ų | 89 | 57.3 Ų | 57.3 | 62% | 0.622 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -71.1 | -13.1 | 175.4 | 68.3 | 0 | 0 | 0 | 0 | 113.2 | I285 G286 L290 | I285-S288 WeakPolarHBondContact O-CB 3.48Å; I285-S288 PolarHBondContact O-N 3.19Å; I285-S288 PolarHBondContact O-OG 3.35Å; G286-S288 VanDerWaalsContact C-N 3.25Å; G286-S288 PolarHBondContact O-N 3.36Å; S288-L290 VanDerWaalsContact C-N 3.29Å |
| 289 | F | 93.1 | Very high | 90.7 | Very high | 99 Ų | 99 | 59.6 Ų | 59.6 | 43% | 0.434 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -82.6 | -6.9 | 174.6 | -53.7 | -49.5 | 0 | 0 | 0 | 113 | K256 V257 G286 W287 | K256-F289 CarbonylContact C-O 3.6Å; K256-F289 WeakPolarHBondContact CA-O 3.21Å; K256-F289 WeakPolarHBondContact CB-O 3.41Å; K256-F289 HydrophobicContact CD-CB 4.23Å; K256-F289 HydrophobicContact CG-CB 4.47Å; V257-F289 PolarHBondContact N-O 3.25Å; G286-F289 WeakPolarHBondContact O-CB 3.29Å; G286-F289 VanDerWaalsContact O-CD2 3.25Å; G286-F289 WeakPolarHBondContact O-CD2 3.44Å; G286-F289 PolarHBondContact O-N 3.45Å; W287-F289 PolarHBondContact O-N 2.9Å |
| 290 | L | 94.6 | Very high | 90.9 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -105 | 160.8 | 178.4 | -59.4 | -172.6 | 0 | 0 | 0 | 111.3 | V254 K256 V262 L264 W280 W287 S288 A295 L298 | V254-L290 HydrophobicContact CB-CD2 4.35Å; V254-L290 HydrophobicContact CG1-CD1 4.01Å; V254-L290 HydrophobicContact CG1-CD2 3.74Å; V254-L290 HydrophobicContact CG1-CG 4.47Å; K256-L290 HydrophobicContact CG-CD2 4.34Å; V262-L290 HydrophobicContact CG1-CD2 4.24Å; L264-L290 HydrophobicContact CD1-CD1 4.15Å; W280-L290 HydrophobicContact CH2-CD1 4.16Å; W280-L290 HydrophobicContact CH2-CD2 4.11Å; W280-L290 HydrophobicContact CH2-CG 3.94Å; W280-L290 HydrophobicContact CZ3-CD1 3.63Å; W280-L290 HydrophobicContact CZ3-CD2 4.42Å; W280-L290 HydrophobicContact CZ3-CG 3.81Å; W287-L290 HydrophobicContact CE3-CD1 4.19Å; W287-L290 HydrophobicContact CZ3-CD1 4.38Å; W287-L290 PolarHBondContact O-N 3Å; S288-L290 VanDerWaalsContact C-N 3.29Å; L290-A295 HydrophobicContact CB-CB 4.17Å; L290-L298 HydrophobicContact CD1-CD1 3.99Å |
| 291 | D | 94.3 | Very high | 91 | Very high | 84 Ų | 84 | 66 Ų | 66 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | trans | -55.5 | 136 | 166.7 | 174.8 | -92 | 0 | 0 | 0 | 110.3 | V293 C294 A295 | D291-V293 VanDerWaalsContact C-N 3.26Å; D291-V293 PolarHBondContact O-N 3.26Å; D291-V293 WeakPolarHBondContact OD1-CA 3.46Å; D291-V293 VanDerWaalsContact OD1-CB 3.26Å; D291-V293 WeakPolarHBondContact OD1-CB 3.23Å; D291-V293 PolarHBondContact OD1-N 2.74Å; D291-C294 HydrophobicContact CB-CB 4.21Å; D291-C294 PolarHBondContact O-N 2.65Å; D291-C294 VanDerWaalsContact O-N 3.17Å; D291-C294 PolarHBondContact OD1-N 2.79Å; D291-A295 WeakPolarHBondContact O-CB 3.31Å; D291-A295 PolarHBondContact O-N 2.93Å | ||
| 292 | P | 93.5 | Very high | 91.2 | Very high | 101 Ų | 101 | 66.9 Ų | 66.9 | 66% | 0.656 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -57.1 | -33.6 | -175.7 | -27.7 | 35.5 | 0 | 0 | 0 | 114.9 | A296 | P292-A296 WeakPolarHBondContact O-CB 3.38Å; P292-A296 PolarHBondContact O-N 3.34Å |
| 293 | V | 94.5 | Very high | 91.4 | Very high | 108 Ų | 108 | 60.4 Ų | 60.4 | 66% | 0.655 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -70.6 | -47.8 | 178.9 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | D291 A295 A296 E297 | D291-V293 VanDerWaalsContact C-N 3.26Å; D291-V293 PolarHBondContact O-N 3.26Å; D291-V293 WeakPolarHBondContact OD1-CA 3.46Å; D291-V293 VanDerWaalsContact OD1-CB 3.26Å; D291-V293 WeakPolarHBondContact OD1-CB 3.23Å; D291-V293 PolarHBondContact OD1-N 2.74Å; V293-A295 VanDerWaalsContact C-N 3.35Å; V293-A295 PolarHBondContact O-N 2.8Å; V293-A296 PolarHBondContact O-N 2.88Å; V293-E297 PolarHBondContact O-N 2.48Å |
| 294 | C | 93.6 | Very high | 91.4 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 24% | 0.243 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 176 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | D291 A296 E297 L298 | D291-C294 HydrophobicContact CB-CB 4.21Å; D291-C294 PolarHBondContact O-N 2.65Å; D291-C294 VanDerWaalsContact O-N 3.17Å; D291-C294 PolarHBondContact OD1-N 2.79Å; C294-A296 PolarHBondContact O-N 3.06Å; C294-E297 PolarHBondContact O-N 2.81Å; C294-L298 WeakPolarHBondContact O-CG 3.15Å; C294-L298 PolarHBondContact O-N 2.8Å |
| 295 | A | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | W287 L290 D291 V293 R299 | W287-A295 HydrophobicContact CB-CB 4.44Å; W287-A295 HydrophobicContact CE3-CB 4.27Å; L290-A295 HydrophobicContact CB-CB 4.17Å; D291-A295 WeakPolarHBondContact O-CB 3.31Å; D291-A295 PolarHBondContact O-N 2.93Å; V293-A295 VanDerWaalsContact C-N 3.35Å; V293-A295 PolarHBondContact O-N 2.8Å; A295-R299 WeakPolarHBondContact O-CB 3.29Å; A295-R299 VanDerWaalsContact O-CG 3.26Å; A295-R299 WeakPolarHBondContact O-CG 3.17Å; A295-R299 PolarHBondContact O-N 2.92Å; A295-R299 VanDerWaalsContact O-N 3.15Å |
| 296 | A | 93.3 | Very high | 91.2 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 46% | 0.463 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P292 V293 C294 A300 | P292-A296 WeakPolarHBondContact O-CB 3.38Å; P292-A296 PolarHBondContact O-N 3.34Å; V293-A296 PolarHBondContact O-N 2.88Å; C294-A296 PolarHBondContact O-N 3.06Å; A296-A300 WeakPolarHBondContact O-CB 3.35Å; A296-A300 PolarHBondContact O-N 2.96Å |
| 297 | E | 94.3 | Very high | 91.2 | Very high | 103 Ų | 103 | 54.6 Ų | 54.6 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.2 | -50.6 | 178 | -170.8 | -170.8 | 159 | 0 | 0 | 112 | V293 C294 R299 A300 R301 | V293-E297 PolarHBondContact O-N 2.48Å; C294-E297 PolarHBondContact O-N 2.81Å; E297-R299 VanDerWaalsContact C-N 3.34Å; E297-R299 PolarHBondContact O-N 3.37Å; E297-A300 PolarHBondContact O-N 3.19Å; E297-R301 WeakPolarHBondContact O-CG 3.36Å; E297-R301 PolarHBondContact O-N 3.09Å; E297-R301 IonicContact OE1-CZ 2.88Å; E297-R301 IonicContact OE1-NE 2.7Å; E297-R301 IonicContact OE1-NH2 3.65Å; E297-R301 PolarHBondContact OE1-NH2 3.11Å |
| 298 | L | 93.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.8 | -37.8 | -179.4 | -68.1 | 177.6 | 0 | 0 | 0 | 112.2 | L252 V254 L264 W287 L290 C294 R301 W308 | L252-L298 HydrophobicContact CD1-CD2 3.86Å; V254-L298 HydrophobicContact CG2-CD1 4.1Å; L264-L298 HydrophobicContact CD1-CD1 4.09Å; W287-L298 HydrophobicContact CH2-CB 3.97Å; W287-L298 HydrophobicContact CZ3-CB 3.6Å; W287-L298 HydrophobicContact CZ3-CD1 4.17Å; L290-L298 HydrophobicContact CD1-CD1 3.99Å; C294-L298 WeakPolarHBondContact O-CG 3.15Å; C294-L298 PolarHBondContact O-N 2.8Å; L298-R301 PolarHBondContact O-N 3.21Å; L298-W308 HydrophobicContact CB-CZ2 4.45Å; L298-W308 HydrophobicContact CD2-CH2 4.03Å; L298-W308 HydrophobicContact CD2-CZ2 4.11Å; L298-W308 PolarHBondContact O-NE1 3Å |
| 299 | R | 91.1 | Very high | 91.2 | Very high | 67 Ų | 67 | 50.2 Ų | 50.2 | 25% | 0.253 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 173.1 | -77.9 | -174.1 | -173.6 | 115.2 | -20 | 111.8 | W282 W287 A295 E297 R301 T302 | W282-R299 HydrophobicContact CE3-CB 4.42Å; W282-R299 HydrophobicContact CZ3-CB 4.04Å; W282-R299 PolarHBondContact O-NE 3.32Å; W287-R299 VanDerWaalsContact CD1-NE 3.3Å; W287-R299 HydrophobicContact CD2-CG 3.86Å; W287-R299 HydrophobicContact CE3-CG 4.16Å; W287-R299 HydrophobicContact CG-CG 4.45Å; W287-R299 VanDerWaalsContact CG-NE 3.32Å; W287-R299 HydrophobicContact CH2-CG 4.13Å; W287-R299 HydrophobicContact CZ2-CG 3.8Å; W287-R299 HydrophobicContact CZ3-CG 4.3Å; A295-R299 WeakPolarHBondContact O-CB 3.29Å; A295-R299 VanDerWaalsContact O-CG 3.26Å; A295-R299 WeakPolarHBondContact O-CG 3.17Å; A295-R299 PolarHBondContact O-N 2.92Å; A295-R299 VanDerWaalsContact O-N 3.15Å; E297-R299 VanDerWaalsContact C-N 3.34Å; E297-R299 PolarHBondContact O-N 3.37Å; R299-R301 PolarHBondContact O-N 3.03Å; R299-T302 VanDerWaalsContact O-CB 3.27Å; R299-T302 WeakPolarHBondContact O-CB 3.45Å; R299-T302 PolarHBondContact O-N 3.03Å; R299-T302 PolarHBondContact O-OG1 3.37Å |
| 300 | A | 91.5 | Very high | 91.2 | Very high | 82 Ų | 82 | 47.1 Ų | 47.1 | 68% | 0.678 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.8 | -21.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A296 E297 T302 | A296-A300 WeakPolarHBondContact O-CB 3.35Å; A296-A300 PolarHBondContact O-N 2.96Å; E297-A300 PolarHBondContact O-N 3.19Å; A300-T302 VanDerWaalsContact C-N 3.28Å |
| 301 | R | 90.1 | Very high | 91 | Very high | 93 Ų | 93 | 49.9 Ų | 49.9 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -15.6 | 174 | -63.3 | 175.9 | -172.2 | -162 | 4.1 | 113.7 | E250 R266 E297 L298 R299 A303 | E250-R301 IonicContact OE2-NH1 3.83Å; E250-R301 PolarHBondContact OE2-NH1 3.49Å; E250-R301 VanDerWaalsContact OE2-NH1 3.1Å; R266-R301 PolarHBondContact NH1-O 3.01Å; R266-R301 VanDerWaalsContact NH1-O 3.09Å; E297-R301 WeakPolarHBondContact O-CG 3.36Å; E297-R301 PolarHBondContact O-N 3.09Å; E297-R301 IonicContact OE1-CZ 2.88Å; E297-R301 IonicContact OE1-NE 2.7Å; E297-R301 IonicContact OE1-NH2 3.65Å; E297-R301 PolarHBondContact OE1-NH2 3.11Å; L298-R301 PolarHBondContact O-N 3.21Å; R299-R301 PolarHBondContact O-N 3.03Å; R301-A303 PolarHBondContact O-N 2.82Å |
| 302 | T | 88.3 | Confident | 90.6 | Very high | 41 Ų | 41 | 49.4 Ų | 49.4 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | trans | -75.4 | 117.8 | -174 | -45.3 | 0 | 0 | 0 | 0 | 110.3 | R299 A300 E306 W308 | R299-T302 VanDerWaalsContact O-CB 3.27Å; R299-T302 WeakPolarHBondContact O-CB 3.45Å; R299-T302 PolarHBondContact O-N 3.03Å; R299-T302 PolarHBondContact O-OG1 3.37Å; A300-T302 VanDerWaalsContact C-N 3.28Å; T302-E306 HydrophobicContact CG2-CB 4.05Å; T302-E306 VanDerWaalsContact CG2-O 3.24Å; T302-E306 WeakPolarHBondContact CG2-O 3.19Å; T302-W308 PolarHBondContact OG1-NE1 3.4Å | ||
| 303 | A | 85 | Confident | 90.4 | Very high | 47 Ų | 47 | 46.2 Ų | 46.2 | 39% | 0.388 | 27% | 0.269 | S | S | . | . | trans | -94.4 | 176.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | R301 G305 E306 | R301-A303 PolarHBondContact O-N 2.82Å; A303-G305 PolarHBondContact O-N 3.35Å; A303-E306 HydrophobicContact CB-CG 4.24Å; A303-E306 WeakPolarHBondContact CB-OE2 3.4Å; A303-E306 PolarHBondContact N-OE2 3Å; A303-E306 WeakPolarHBondContact O-CB 3.45Å; A303-E306 PolarHBondContact O-N 2.79Å | ||
| 304 | E | 81.8 | Confident | 90.1 | Very high | 111 Ų | 111 | 41.1 Ų | 41.1 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 128.3 | 174.3 | -164 | -167.6 | 160.4 | 0 | 0 | 110.9 | K67 H142 G272 E306 | K67-E304 IonicContact NZ-OE1 3.85Å; K67-E304 PolarHBondContact NZ-OE1 3.15Å; K67-E304 IonicContact NZ-OE2 3.92Å; K67-E304 PolarHBondContact NZ-OE2 2.92Å; H142-E304 IonicContact CD2-OE2 3.53Å; G272-E304 WeakPolarHBondContact O-CG 3.21Å; E304-E306 VanDerWaalsContact C-N 3.29Å; E304-E306 PolarHBondContact O-N 2.78Å |
| 305 | G | 82.9 | Confident | 89.7 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N269 A303 | N269-G305 PolarHBondContact N-O 2.95Å; A303-G305 PolarHBondContact O-N 3.35Å |
| 306 | E | 90 | Very high | 89.2 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 152.7 | 176.9 | -59.6 | -177.1 | 166.8 | 0 | 0 | 112.3 | R266 I267 R268 T302 A303 E304 | R266-E306 WeakPolarHBondContact CD-OE2 3.31Å; R266-E306 HydrophobicContact CG-CB 4.42Å; R266-E306 IonicContact CZ-OE2 2.66Å; R266-E306 IonicContact NE-OE2 3.67Å; R266-E306 IonicContact NH1-OE1 2.7Å; R266-E306 IonicContact NH1-OE2 3.1Å; R266-E306 PolarHBondContact NH1-OE2 2.98Å; I267-E306 CarbonylContact O-C 3.13Å; I267-E306 WeakPolarHBondContact O-CA 3.44Å; R268-E306 HydrophobicContact CB-CG 3.93Å; R268-E306 HydrophobicContact CG-CG 3.93Å; R268-E306 IonicContact CZ-OE1 3.32Å; R268-E306 IonicContact NH1-OE1 2.67Å; R268-E306 PolarHBondContact NH1-OE1 2.96Å; T302-E306 HydrophobicContact CG2-CB 4.05Å; T302-E306 VanDerWaalsContact CG2-O 3.24Å; T302-E306 WeakPolarHBondContact CG2-O 3.19Å; A303-E306 HydrophobicContact CB-CG 4.24Å; A303-E306 WeakPolarHBondContact CB-OE2 3.4Å; A303-E306 PolarHBondContact N-OE2 3Å; A303-E306 WeakPolarHBondContact O-CB 3.45Å; A303-E306 PolarHBondContact O-N 2.79Å; E304-E306 VanDerWaalsContact C-N 3.29Å; E304-E306 PolarHBondContact O-N 2.78Å |
| 307 | F | 91.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 158.2 | 176.6 | 54.6 | -84 | 0 | 0 | 0 | 111.1 | L246 R266 I267 N269 W276 L309 | L246-F307 HydrophobicContact CD2-CE1 4Å; L246-F307 HydrophobicContact CD2-CZ 3.78Å; R266-F307 CarbonylContact C-O 3.54Å; R266-F307 WeakPolarHBondContact CA-O 3.34Å; I267-F307 HydrophobicContact CB-CD2 4.29Å; I267-F307 HydrophobicContact CB-CE1 4.26Å; I267-F307 HydrophobicContact CB-CE2 3.89Å; I267-F307 HydrophobicContact CB-CZ 3.87Å; I267-F307 HydrophobicContact CG1-CE2 4.32Å; I267-F307 HydrophobicContact CG2-CE1 4.16Å; I267-F307 HydrophobicContact CG2-CE2 4.21Å; I267-F307 HydrophobicContact CG2-CZ 3.74Å; I267-F307 PolarHBondContact N-O 3.07Å; I267-F307 PolarHBondContact O-N 3.24Å; N269-F307 HydrophobicContact CB-CE1 4.46Å; W276-F307 HydrophobicContact CB-CB 4.26Å; W276-F307 HydrophobicContact CB-CD1 4.03Å; W276-F307 HydrophobicContact CB-CD2 3.42Å; W276-F307 VanDerWaalsContact CB-CD2 3.42Å; W276-F307 HydrophobicContact CB-CE1 4.19Å; W276-F307 HydrophobicContact CB-CE2 3.57Å; W276-F307 HydrophobicContact CB-CG 3.65Å; W276-F307 HydrophobicContact CB-CZ 3.97Å; W276-F307 AromaticContact CD1-CD2 3.87Å; W276-F307 HydrophobicContact CD2-CD2 4.11Å; W276-F307 AromaticContact CD2-CE2 3.56Å; W276-F307 HydrophobicContact CD2-CE2 3.56Å; W276-F307 HydrophobicContact CD2-CZ 4.16Å; W276-F307 AromaticContact CE3-CE2 3.82Å; W276-F307 HydrophobicContact CE3-CE2 3.82Å; W276-F307 AromaticContact CE3-CZ 3.99Å; W276-F307 HydrophobicContact CE3-CZ 3.99Å; W276-F307 AromaticContact CG-CD2 3.47Å; W276-F307 HydrophobicContact CG-CD2 3.47Å; W276-F307 VanDerWaalsContact CG-CD2 3.47Å; W276-F307 AromaticContact CG-CE2 3.42Å; W276-F307 HydrophobicContact CG-CE2 3.42Å; W276-F307 VanDerWaalsContact CG-CE2 3.42Å; W276-F307 HydrophobicContact CG-CG 4.21Å; W276-F307 HydrophobicContact CG-CZ 4.16Å; F307-L309 HydrophobicContact CD2-CD2 4.07Å; F307-L309 HydrophobicContact CE2-CD2 3.68Å |
| 308 | W | 93.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 153.3 | 173.2 | -67.7 | 89.7 | 0 | 0 | 0 | 110.6 | E250 L252 L264 L265 R266 W280 W287 L298 T302 | E250-W308 VanDerWaalsContact CD-CH2 3.43Å; E250-W308 HydrophobicContact CG-CH2 3.57Å; E250-W308 HydrophobicContact CG-CZ2 4.35Å; E250-W308 HydrophobicContact CG-CZ3 4.08Å; E250-W308 WeakPolarHBondContact OE1-CH2 3.37Å; E250-W308 WeakPolarHBondContact OE1-CZ2 3.43Å; L252-W308 HydrophobicContact CD1-CH2 4.02Å; L264-W308 HydrophobicContact CB-CE3 3.75Å; L264-W308 HydrophobicContact CB-CZ3 3.92Å; L265-W308 VanDerWaalsContact C-CE3 3.48Å; L265-W308 WeakPolarHBondContact O-CA 3.36Å; R266-W308 HydrophobicContact CB-CD2 3.88Å; R266-W308 HydrophobicContact CB-CE3 3.88Å; R266-W308 HydrophobicContact CB-CH2 3.9Å; R266-W308 HydrophobicContact CB-CZ2 3.87Å; R266-W308 HydrophobicContact CB-CZ3 3.9Å; R266-W308 HydrophobicContact CG-CD2 4.33Å; R266-W308 HydrophobicContact CG-CZ2 4.29Å; W280-W308 HydrophobicContact CB-CB 3.76Å; W280-W308 WeakPolarHBondContact CB-O 3.13Å; W287-W308 HydrophobicContact CH2-CB 4.11Å; W287-W308 AromaticContact CH2-CD1 3.63Å; W287-W308 HydrophobicContact CH2-CD2 4.31Å; W287-W308 AromaticContact CH2-CG 3.77Å; W287-W308 HydrophobicContact CH2-CG 3.77Å; W287-W308 HydrophobicContact CZ2-CB 4.09Å; W287-W308 AromaticContact CZ2-CD1 3.8Å; W287-W308 HydrophobicContact CZ2-CG 4.07Å; L298-W308 HydrophobicContact CB-CZ2 4.45Å; L298-W308 HydrophobicContact CD2-CH2 4.03Å; L298-W308 HydrophobicContact CD2-CZ2 4.11Å; L298-W308 PolarHBondContact O-NE1 3Å; T302-W308 PolarHBondContact OG1-NE1 3.4Å |
| 309 | L | 92.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 162.1 | 171.6 | 56.4 | 89.9 | 0 | 0 | 0 | 109.2 | L264 L265 I267 F307 E313 F314 F318 | L264-L309 CarbonylContact C-O 3.41Å; L264-L309 WeakPolarHBondContact CA-O 3.38Å; L265-L309 HydrophobicContact CB-CD1 4.14Å; L265-L309 HydrophobicContact CD1-CD1 4.23Å; L265-L309 PolarHBondContact N-O 3.45Å; L265-L309 PolarHBondContact O-N 3.45Å; L265-L309 VanDerWaalsContact O-N 3.08Å; I267-L309 HydrophobicContact CG1-CD2 3.71Å; I267-L309 HydrophobicContact CG1-CG 4.2Å; F307-L309 HydrophobicContact CD2-CD2 4.07Å; F307-L309 HydrophobicContact CE2-CD2 3.68Å; L309-E313 HydrophobicContact CB-CB 4.42Å; L309-E313 HydrophobicContact CB-CG 4.33Å; L309-F314 HydrophobicContact CD1-CB 3.31Å; L309-F314 HydrophobicContact CD1-CD2 3.72Å; L309-F314 HydrophobicContact CD1-CG 3.9Å; L309-F318 HydrophobicContact CD2-CE2 3.89Å; L309-F318 HydrophobicContact CD2-CZ 4.43Å |
| 310 | D | 92.6 | Very high | 87.5 | Confident | 35 Ų | 35 | 37.4 Ų | 37.4 | 19% | 0.187 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 162.4 | 173.9 | 60.3 | 57.1 | 0 | 0 | 0 | 112.7 | V262 R263 L264 W280 A312 E313 F314 | V262-D310 HydrophobicContact CG2-CB 3.8Å; R263-D310 CarbonylContact O-C 3.46Å; R263-D310 VanDerWaalsContact O-CA 3.27Å; R263-D310 WeakPolarHBondContact O-CA 3.41Å; L264-D310 HydrophobicContact CD2-CB 4.05Å; W280-D310 PolarHBondContact NE1-OD2 2.7Å; D310-A312 PolarHBondContact O-N 2.67Å; D310-A312 WeakPolarHBondContact OD1-CB 3.39Å; D310-A312 PolarHBondContact OD1-N 3.15Å; D310-E313 PolarHBondContact O-N 3.22Å; D310-E313 WeakPolarHBondContact OD1-CB 3.29Å; D310-E313 PolarHBondContact OD1-N 2.91Å; D310-F314 WeakPolarHBondContact O-CB 3.08Å; D310-F314 PolarHBondContact O-N 2.67Å |
| 311 | E | 89.5 | Confident | 87.4 | Confident | 62 Ų | 62 | 33.5 Ų | 33.5 | 29% | 0.29 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.7 | -29.7 | -177.4 | -177.3 | 174.5 | -137.7 | 0 | 0 | 113.5 | R263 L265 F314 T315 | R263-E311 HydrophobicContact CB-CB 3.98Å; R263-E311 HydrophobicContact CG-CB 4.23Å; R263-E311 IonicContact NH1-OE1 3.1Å; R263-E311 PolarHBondContact NH1-OE1 3.32Å; R263-E311 IonicContact NH1-OE2 2.84Å; R263-E311 PolarHBondContact O-N 2.77Å; L265-E311 HydrophobicContact CD1-CB 4.08Å; E311-F314 WeakPolarHBondContact O-CB 3.22Å; E311-T315 WeakPolarHBondContact O-CB 3.38Å; E311-T315 PolarHBondContact O-N 2.73Å; E311-T315 PolarHBondContact O-OG1 3.31Å |
| 312 | A | 87.8 | Confident | 87.4 | Confident | 74 Ų | 74 | 29.3 Ų | 29.3 | 61% | 0.612 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -71.2 | -47.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | D310 F314 T315 S316 | D310-A312 PolarHBondContact O-N 2.67Å; D310-A312 WeakPolarHBondContact OD1-CB 3.39Å; D310-A312 PolarHBondContact OD1-N 3.15Å; A312-F314 VanDerWaalsContact C-N 3.32Å; A312-F314 PolarHBondContact O-N 2.95Å; A312-T315 PolarHBondContact O-N 2.82Å; A312-S316 WeakPolarHBondContact O-CB 3.22Å; A312-S316 PolarHBondContact O-N 3.08Å; A312-S316 VanDerWaalsContact O-N 3.12Å; A312-S316 PolarHBondContact O-OG 3.43Å |
| 313 | E | 87.3 | Confident | 87.7 | Confident | 34 Ų | 34 | 27.3 Ų | 27.3 | 16% | 0.159 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.3 | -46.4 | 172.3 | -171.9 | 172.4 | -167.5 | 0 | 0 | 110.3 | W276 L309 D310 T315 S316 Q317 | W276-E313 HydrophobicContact CZ2-CG 4.28Å; W276-E313 PolarHBondContact NE1-OE1 2.99Å; L309-E313 HydrophobicContact CB-CB 4.42Å; L309-E313 HydrophobicContact CB-CG 4.33Å; D310-E313 PolarHBondContact O-N 3.22Å; D310-E313 WeakPolarHBondContact OD1-CB 3.29Å; D310-E313 PolarHBondContact OD1-N 2.91Å; E313-T315 PolarHBondContact O-N 2.85Å; E313-S316 PolarHBondContact O-N 2.94Å; E313-S316 PolarHBondContact O-OG 2.83Å; E313-Q317 HydrophobicContact CG-CG 4.24Å; E313-Q317 WeakPolarHBondContact O-CB 3.5Å; E313-Q317 WeakPolarHBondContact O-CG 3.46Å; E313-Q317 PolarHBondContact O-N 2.82Å; E313-Q317 VanDerWaalsContact O-N 3.09Å |
| 314 | F | 88.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -53.3 | -54.1 | 178 | -170.4 | -121.2 | 0 | 0 | 0 | 112.6 | L188 L212 C228 V248 L265 I267 L309 D310 E311 A312 S316 Q317 F318 I321 | L188-F314 HydrophobicContact CD1-CE1 4.42Å; L212-F314 HydrophobicContact CD2-CD1 4.48Å; L212-F314 HydrophobicContact CD2-CE1 4.04Å; C228-F314 HydrophobicContact CB-CE2 3.84Å; C228-F314 HydrophobicContact CB-CZ 3.97Å; V248-F314 HydrophobicContact CG2-CE2 4.37Å; V248-F314 HydrophobicContact CG2-CZ 4.16Å; L265-F314 HydrophobicContact CD1-CB 4.26Å; L265-F314 HydrophobicContact CD1-CG 4.43Å; L265-F314 HydrophobicContact CD2-CD1 3.79Å; L265-F314 HydrophobicContact CD2-CD2 4.08Å; L265-F314 HydrophobicContact CD2-CE1 3.78Å; L265-F314 HydrophobicContact CD2-CE2 4.14Å; L265-F314 HydrophobicContact CD2-CG 3.92Å; L265-F314 HydrophobicContact CD2-CZ 3.99Å; I267-F314 HydrophobicContact CD1-CD2 4.42Å; I267-F314 HydrophobicContact CD1-CE2 3.99Å; L309-F314 HydrophobicContact CD1-CB 3.31Å; L309-F314 HydrophobicContact CD1-CD2 3.72Å; L309-F314 HydrophobicContact CD1-CG 3.9Å; D310-F314 WeakPolarHBondContact O-CB 3.08Å; D310-F314 PolarHBondContact O-N 2.67Å; E311-F314 WeakPolarHBondContact O-CB 3.22Å; A312-F314 VanDerWaalsContact C-N 3.32Å; A312-F314 PolarHBondContact O-N 2.95Å; F314-S316 VanDerWaalsContact C-N 3.25Å; F314-S316 PolarHBondContact O-N 2.84Å; F314-Q317 PolarHBondContact O-N 2.8Å; F314-F318 AromaticContact CD2-CD2 3.23Å; F314-F318 HydrophobicContact CD2-CD2 3.23Å; F314-F318 AromaticContact CD2-CE2 3.51Å; F314-F318 HydrophobicContact CD2-CE2 3.51Å; F314-F318 HydrophobicContact CD2-CG 4.27Å; F314-F318 AromaticContact CE2-CD2 3.51Å; F314-F318 HydrophobicContact CE2-CD2 3.51Å; F314-F318 AromaticContact CE2-CE2 3.89Å; F314-F318 HydrophobicContact CE2-CE2 3.89Å; F314-F318 HydrophobicContact CE2-CG 4.18Å; F314-F318 HydrophobicContact CG-CD2 4.06Å; F314-F318 VanDerWaalsContact O-CD2 3.3Å; F314-F318 WeakPolarHBondContact O-CD2 3.26Å; F314-F318 PolarHBondContact O-N 3.28Å; F314-F318 VanDerWaalsContact O-N 3.07Å; F314-I321 HydrophobicContact CE1-CD1 3.35Å; F314-I321 HydrophobicContact CE1-CG1 4.27Å; F314-I321 HydrophobicContact CZ-CD1 3.54Å; F314-I321 HydrophobicContact CZ-CG1 4.04Å |
| 315 | T | 85.4 | Confident | 88.7 | Confident | 57 Ų | 57 | 20.1 Ų | 20.1 | 35% | 0.35 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -67.5 | -29.6 | -175.4 | -52.2 | 0 | 0 | 0 | 0 | 111.7 | E311 A312 E313 | E311-T315 WeakPolarHBondContact O-CB 3.38Å; E311-T315 PolarHBondContact O-N 2.73Å; E311-T315 PolarHBondContact O-OG1 3.31Å; A312-T315 PolarHBondContact O-N 2.82Å; E313-T315 PolarHBondContact O-N 2.85Å |
| 316 | S | 83.9 | Confident | 89.3 | Confident | 65 Ų | 65 | 20 Ų | 20 | 46% | 0.455 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -75.4 | -30.3 | 177.7 | 74 | 0 | 0 | 0 | 0 | 113.6 | A312 E313 F314 | A312-S316 WeakPolarHBondContact O-CB 3.22Å; A312-S316 PolarHBondContact O-N 3.08Å; A312-S316 VanDerWaalsContact O-N 3.12Å; A312-S316 PolarHBondContact O-OG 3.43Å; E313-S316 PolarHBondContact O-N 2.94Å; E313-S316 PolarHBondContact O-OG 2.83Å; F314-S316 VanDerWaalsContact C-N 3.25Å; F314-S316 PolarHBondContact O-N 2.84Å |
| 317 | Q | 82.5 | Confident | 89.5 | Confident | 48 Ų | 48 | 20.1 Ų | 20.1 | 22% | 0.224 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -99.6 | -35.9 | -168 | -63.9 | -67.2 | -43.3 | 0 | 0 | 113.3 | W276 E313 F314 | W276-Q317 HydrophobicContact CH2-CB 3.63Å; W276-Q317 HydrophobicContact CH2-CG 3.63Å; W276-Q317 HydrophobicContact CZ2-CB 4.07Å; W276-Q317 HydrophobicContact CZ2-CG 3.64Å; E313-Q317 HydrophobicContact CG-CG 4.24Å; E313-Q317 WeakPolarHBondContact O-CB 3.5Å; E313-Q317 WeakPolarHBondContact O-CG 3.46Å; E313-Q317 PolarHBondContact O-N 2.82Å; E313-Q317 VanDerWaalsContact O-N 3.09Å; F314-Q317 PolarHBondContact O-N 2.8Å |
| 318 | F | 85.8 | Confident | 89.3 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | trans | -95.1 | 148.3 | -178.9 | -60.7 | -74.8 | 0 | 0 | 0 | 111.3 | L188 C228 T230 L246 W276 L309 F314 | L188-F318 WeakPolarHBondContact CB-O 3.37Å; L188-F318 HydrophobicContact CD1-CB 3.5Å; L188-F318 WeakPolarHBondContact CD1-O 3.23Å; C228-F318 HydrophobicContact CB-CB 4.17Å; C228-F318 HydrophobicContact CB-CD1 3.84Å; C228-F318 HydrophobicContact CB-CD2 4.46Å; C228-F318 HydrophobicContact CB-CE1 4.43Å; C228-F318 HydrophobicContact CB-CG 3.88Å; T230-F318 HydrophobicContact CG2-CD1 3.56Å; T230-F318 HydrophobicContact CG2-CE1 3.85Å; T230-F318 HydrophobicContact CG2-CG 4.48Å; L246-F318 HydrophobicContact CD1-CE1 3.75Å; W276-F318 HydrophobicContact CZ3-CZ 4.28Å; L309-F318 HydrophobicContact CD2-CE2 3.89Å; L309-F318 HydrophobicContact CD2-CZ 4.43Å; F314-F318 AromaticContact CD2-CD2 3.23Å; F314-F318 HydrophobicContact CD2-CD2 3.23Å; F314-F318 AromaticContact CD2-CE2 3.51Å; F314-F318 HydrophobicContact CD2-CE2 3.51Å; F314-F318 HydrophobicContact CD2-CG 4.27Å; F314-F318 AromaticContact CE2-CD2 3.51Å; F314-F318 HydrophobicContact CE2-CD2 3.51Å; F314-F318 AromaticContact CE2-CE2 3.89Å; F314-F318 HydrophobicContact CE2-CE2 3.89Å; F314-F318 HydrophobicContact CE2-CG 4.18Å; F314-F318 HydrophobicContact CG-CD2 4.06Å; F314-F318 VanDerWaalsContact O-CD2 3.3Å; F314-F318 WeakPolarHBondContact O-CD2 3.26Å; F314-F318 PolarHBondContact O-N 3.28Å; F314-F318 VanDerWaalsContact O-N 3.07Å | ||
| 319 | D | 82.1 | Confident | 89 | Confident | 13 Ų | 13 | 29.4 Ų | 29.4 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | trans | -94.5 | -40.6 | -177.8 | -73.5 | -90.9 | 0 | 0 | 0 | 112.5 | L188 R189 S229 T230 H231 | L188-D319 WeakPolarHBondContact CB-O 3.48Å; L188-D319 PolarHBondContact N-O 3.22Å; R189-D319 WeakPolarHBondContact CD-OD1 3.21Å; R189-D319 VanDerWaalsContact CZ-CG 3.46Å; R189-D319 IonicContact CZ-OD1 3.64Å; R189-D319 IonicContact CZ-OD2 2.82Å; R189-D319 IonicContact NE-OD1 3.64Å; R189-D319 PolarHBondContact NE-OD1 3.41Å; R189-D319 IonicContact NH1-OD1 3.88Å; R189-D319 PolarHBondContact NH1-OD1 3Å; R189-D319 IonicContact NH1-OD2 3.91Å; R189-D319 IonicContact NH2-OD1 2.7Å; R189-D319 IonicContact NH2-OD2 3.26Å; S229-D319 PolarHBondContact O-N 2.79Å; T230-D319 WeakPolarHBondContact CA-OD2 3.46Å; H231-D319 HydrophobicContact CB-CB 4.44Å; H231-D319 WeakPolarHBondContact CD2-CB 3.49Å; H231-D319 IonicContact CD2-OD1 2.74Å; H231-D319 PolarHBondContact N-OD2 2.87Å | ||
| 320 | D | 84.8 | Confident | 88.6 | Confident | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 154.7 | -173.9 | -68.7 | -73.5 | 0 | 0 | 0 | 112 | R185 W186 C228 S229 H231 | R185-D320 HydrophobicContact CG-CB 4.1Å; R185-D320 IonicContact CZ-OD2 3.91Å; R185-D320 IonicContact NE-OD1 3.23Å; R185-D320 PolarHBondContact NE-OD1 3.38Å; R185-D320 IonicContact NE-OD2 3.26Å; R185-D320 PolarHBondContact NE-OD2 2.88Å; R185-D320 IonicContact NH2-OD2 3.34Å; R185-D320 PolarHBondContact NH2-OD2 3.45Å; W186-D320 CarbonylContact O-C 3.54Å; W186-D320 VanDerWaalsContact O-CA 3.3Å; W186-D320 WeakPolarHBondContact O-CA 3.48Å; C228-D320 WeakPolarHBondContact CA-O 3.4Å; S229-D320 PolarHBondContact N-O 2.81Å; S229-D320 VanDerWaalsContact N-O 3.07Å; S229-D320 PolarHBondContact O-N 3.47Å; H231-D320 IonicContact CD2-OD2 3.38Å; H231-D320 IonicContact CE1-OD2 2.72Å; H231-D320 IonicContact NE2-OD2 3.67Å; H231-D320 PolarHBondContact NE2-OD2 3.3Å |
| 321 | I | 89.3 | Confident | 88.4 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.9 | 172 | -69.9 | 175.3 | 0 | 0 | 0 | 109.7 | R185 W186 L188 L212 L226 S227 C228 F314 V323 | R185-I321 CarbonylContact C-O 2.97Å; R185-I321 VanDerWaalsContact CA-O 3.29Å; R185-I321 WeakPolarHBondContact CA-O 3.49Å; W186-I321 PolarHBondContact N-O 2.85Å; W186-I321 PolarHBondContact O-N 3.33Å; L188-I321 HydrophobicContact CD1-CD1 4.01Å; L188-I321 HydrophobicContact CD1-CG1 3.84Å; L188-I321 HydrophobicContact CD2-CD1 3.61Å; L188-I321 HydrophobicContact CD2-CG1 4.1Å; L188-I321 HydrophobicContact CG-CD1 4.18Å; L188-I321 HydrophobicContact CG-CG1 4.14Å; L212-I321 HydrophobicContact CD1-CD1 3.71Å; L212-I321 HydrophobicContact CD2-CD1 3.4Å; L212-I321 VanDerWaalsContact CD2-CD1 3.4Å; L212-I321 HydrophobicContact CG-CD1 4.06Å; L226-I321 HydrophobicContact CD2-CG2 3.86Å; S227-I321 CarbonylContact O-C 3.5Å; S227-I321 WeakPolarHBondContact O-CA 3.32Å; C228-I321 HydrophobicContact CB-CG1 4.34Å; F314-I321 HydrophobicContact CE1-CD1 3.35Å; F314-I321 HydrophobicContact CE1-CG1 4.27Å; F314-I321 HydrophobicContact CZ-CD1 3.54Å; F314-I321 HydrophobicContact CZ-CG1 4.04Å; I321-V323 HydrophobicContact CG2-CG2 3.92Å |
| 322 | T | 92.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.025 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 125.8 | 166.3 | -59.1 | 0 | 0 | 0 | 0 | 109.3 | V171 L175 A183 E184 L226 S227 | V171-T322 HydrophobicContact CB-CG2 4.32Å; V171-T322 HydrophobicContact CG1-CG2 4.31Å; L175-T322 HydrophobicContact CD1-CG2 3.9Å; A183-T322 HydrophobicContact CB-CG2 4.41Å; E184-T322 CarbonylContact O-C 3.37Å; E184-T322 WeakPolarHBondContact O-CA 3.12Å; L226-T322 WeakPolarHBondContact CA-O 3.43Å; S227-T322 PolarHBondContact N-O 2.89Å; S227-T322 PolarHBondContact O-N 2.79Å |
| 323 | V | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 115.8 | 176.1 | -169.3 | 0 | 0 | 0 | 0 | 109.3 | A183 E184 W186 L217 A225 L226 I321 V336 | A183-V323 CarbonylContact C-O 3.24Å; A183-V323 VanDerWaalsContact CA-O 3.25Å; A183-V323 WeakPolarHBondContact CA-O 3.33Å; E184-V323 PolarHBondContact N-O 3.14Å; E184-V323 PolarHBondContact O-N 3.01Å; W186-V323 HydrophobicContact CD2-CG2 3.78Å; W186-V323 HydrophobicContact CE3-CG2 3.9Å; W186-V323 HydrophobicContact CG-CG2 4.37Å; W186-V323 HydrophobicContact CH2-CG2 4.19Å; W186-V323 HydrophobicContact CZ2-CG2 4.06Å; W186-V323 HydrophobicContact CZ3-CG2 4.1Å; L217-V323 HydrophobicContact CD1-CG1 4.38Å; L217-V323 HydrophobicContact CD1-CG2 4.34Å; L217-V323 HydrophobicContact CD2-CG1 4.01Å; A225-V323 CarbonylContact O-C 3.59Å; A225-V323 WeakPolarHBondContact O-CA 3.49Å; L226-V323 HydrophobicContact CD2-CB 4.12Å; L226-V323 HydrophobicContact CD2-CG1 3.99Å; L226-V323 HydrophobicContact CD2-CG2 3.66Å; I321-V323 HydrophobicContact CG2-CG2 3.92Å; V323-V336 HydrophobicContact CG1-CG1 4.01Å |
| 324 | G | 94.6 | Very high | 89.2 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 130.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | A225 | A225-G324 PolarHBondContact N-O 3.24Å; A225-G324 PolarHBondContact O-N 2.79Å |
| 325 | Y | 94.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 135.1 | 178.4 | -81.1 | -118.1 | 0 | 0 | 0 | 110.5 | V182 E184 L333 K334 V336 Y337 L384 | V182-Y325 HydrophobicContact CB-CD2 4.02Å; V182-Y325 HydrophobicContact CB-CG 4.21Å; V182-Y325 HydrophobicContact CG1-CD2 4.03Å; V182-Y325 HydrophobicContact CG1-CE2 4.07Å; V182-Y325 WeakPolarHBondContact O-CB 3.3Å; V182-Y325 WeakPolarHBondContact O-CD2 3.46Å; V182-Y325 PolarHBondContact O-N 3.38Å; E184-Y325 HydrophobicContact CG-CE2 3.97Å; E184-Y325 WeakPolarHBondContact OE1-CE2 3.37Å; E184-Y325 VanDerWaalsContact OE1-CZ 3.31Å; E184-Y325 PolarHBondContact OE1-OH 2.84Å; Y325-L333 VanDerWaalsContact CB-CD1 3.48Å; Y325-L333 HydrophobicContact CD1-CD2 4.02Å; Y325-L333 HydrophobicContact CD1-CG 4.19Å; Y325-L333 HydrophobicContact CG-CD1 4.45Å; Y325-L333 HydrophobicContact CG-CD2 4.33Å; Y325-L333 HydrophobicContact CG-CG 4.43Å; Y325-K334 VanDerWaalsContact CD1-O 3.26Å; Y325-K334 WeakPolarHBondContact CD1-O 3.19Å; Y325-V336 HydrophobicContact CD1-CG1 3.82Å; Y325-V336 HydrophobicContact CD1-CG2 4.44Å; Y325-V336 HydrophobicContact CD2-CG1 3.86Å; Y325-V336 HydrophobicContact CD2-CG2 4.5Å; Y325-V336 HydrophobicContact CE1-CB 4.33Å; Y325-V336 HydrophobicContact CE1-CG1 4.03Å; Y325-V336 HydrophobicContact CE1-CG2 3.79Å; Y325-V336 HydrophobicContact CE2-CG1 4.1Å; Y325-V336 HydrophobicContact CE2-CG2 3.89Å; Y325-V336 HydrophobicContact CG-CG1 3.71Å; Y325-V336 VanDerWaalsContact CZ-CG2 3.49Å; Y325-Y337 WeakPolarHBondContact OH-CE2 3.49Å; Y325-L384 HydrophobicContact CD1-CD1 3.93Å; Y325-L384 HydrophobicContact CE1-CD1 3.14Å; Y325-L384 HydrophobicContact CE2-CD1 4.31Å; Y325-L384 VanDerWaalsContact OH-CD1 3.3Å; Y325-L384 WeakPolarHBondContact OH-CD1 3.47Å |
| 326 | P | 94.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 145.7 | 176.8 | -15.1 | 22.8 | 0 | 0 | 0 | 112.3 | V220 E223 C224 K334 | V220-P326 HydrophobicContact CB-CG 3.76Å; V220-P326 HydrophobicContact CG1-CG 3.87Å; V220-P326 HydrophobicContact CG2-CG 4.48Å; E223-P326 HydrophobicContact CB-CB 3.69Å; E223-P326 HydrophobicContact CB-CG 3.96Å; C224-P326 HydrophobicContact CB-CG 3.96Å; P326-K334 HydrophobicContact CB-CB 4.15Å; P326-K334 HydrophobicContact CB-CD 4.44Å; P326-K334 HydrophobicContact CG-CB 4.29Å; P326-K334 PolarHBondContact O-N 3.34Å |
| 327 | I | 94 | Very high | 89.6 | Confident | 11 Ų | 11 | 26.9 Ų | 26.9 | 6% | 0.056 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -118 | 121.5 | 170.7 | -59.5 | -177.6 | 0 | 0 | 0 | 108.4 | N86 L89 T179 L332 L333 | N86-I327 PolarHBondContact ND2-O 3.23Å; L89-I327 HydrophobicContact CD1-CB 4.18Å; L89-I327 HydrophobicContact CD1-CD1 4.28Å; L89-I327 HydrophobicContact CD2-CB 4.35Å; L89-I327 HydrophobicContact CD2-CD1 4.03Å; L89-I327 HydrophobicContact CD2-CG2 4.14Å; T179-I327 WeakPolarHBondContact O-CD1 3.33Å; I327-L332 WeakPolarHBondContact CA-O 3.49Å; I327-L333 HydrophobicContact CG1-CD1 3.93Å |
| 328 | G | 88.3 | Confident | 89.9 | Confident | 7 Ų | 7 | 27.9 Ų | 27.9 | 7% | 0.072 | 15% | 0.147 | C | C | . | . | trans | -65.7 | 168.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D330 G331 L332 | G328-D330 WeakPolarHBondContact CA-OD1 3.48Å; G328-D330 PolarHBondContact O-N 3.14Å; G328-G331 PolarHBondContact O-N 2.97Å; G328-L332 PolarHBondContact N-O 3.41Å | ||
| 329 | K | 86.1 | Confident | 90.1 | Very high | 192 Ų | 192 | 29 Ų | 29 | 84% | 0.835 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19.3 | 177.4 | -63.7 | -178 | -179.5 | 179.5 | 0 | 113.3 | H88 G331 | H88-K329 PolarHBondContact CE1-O 3.06Å; H88-K329 PolarHBondContact ND1-O 3.23Å; K329-G331 VanDerWaalsContact C-N 3.26Å |
| 330 | D | 85.3 | Confident | 90.5 | Very high | 94 Ų | 94 | 31.2 Ų | 31.2 | 50% | 0.503 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -1.5 | 172.6 | 53 | 6.7 | 0 | 0 | 0 | 113 | G328 L332 L341 | G328-D330 WeakPolarHBondContact CA-OD1 3.48Å; G328-D330 PolarHBondContact O-N 3.14Å; D330-L332 VanDerWaalsContact C-N 3.27Å; D330-L332 HydrophobicContact CB-CG 4.43Å; D330-L332 PolarHBondContact O-N 3.11Å; D330-L332 WeakPolarHBondContact OD1-CB 3.49Å; D330-L332 PolarHBondContact OD1-N 3.01Å; D330-L332 VanDerWaalsContact OD1-N 3.12Å; D330-L341 WeakPolarHBondContact OD2-CD2 3.5Å |
| 331 | G | 87.8 | Confident | 91 | Very high | 32 Ų | 32 | 33.4 Ų | 33.4 | 33% | 0.33 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 77.7 | 9.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | G328 K329 | G328-G331 PolarHBondContact O-N 2.97Å; K329-G331 VanDerWaalsContact C-N 3.26Å |
| 332 | L | 92.3 | Very high | 91.2 | Very high | 47 Ų | 47 | 33.4 Ų | 33.4 | 25% | 0.246 | 18% | 0.184 | C | C | . | . | trans | -91.1 | 145 | 179.8 | -63.4 | 176.5 | 0 | 0 | 0 | 111.5 | I327 G328 D330 L341 T343 | I327-L332 WeakPolarHBondContact CA-O 3.49Å; G328-L332 PolarHBondContact N-O 3.41Å; D330-L332 VanDerWaalsContact C-N 3.27Å; D330-L332 HydrophobicContact CB-CG 4.43Å; D330-L332 PolarHBondContact O-N 3.11Å; D330-L332 WeakPolarHBondContact OD1-CB 3.49Å; D330-L332 PolarHBondContact OD1-N 3.01Å; D330-L332 VanDerWaalsContact OD1-N 3.12Å; L332-L341 HydrophobicContact CB-CD1 3.73Å; L332-L341 HydrophobicContact CB-CD2 4.44Å; L332-L341 HydrophobicContact CB-CG 4.06Å; L332-L341 HydrophobicContact CD1-CD2 3.9Å; L332-L341 HydrophobicContact CD1-CG 4.24Å; L332-T343 HydrophobicContact CD1-CG2 4.37Å | ||
| 333 | L | 95.1 | Very high | 91.4 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 139.9 | 179.3 | -159.6 | 70.8 | 0 | 0 | 0 | 110.3 | V182 Y325 I327 L342 F484 | V182-L333 HydrophobicContact CB-CD2 4.16Å; V182-L333 HydrophobicContact CG2-CD2 3.76Å; Y325-L333 VanDerWaalsContact CB-CD1 3.48Å; Y325-L333 HydrophobicContact CD1-CD2 4.02Å; Y325-L333 HydrophobicContact CD1-CG 4.19Å; Y325-L333 HydrophobicContact CG-CD1 4.45Å; Y325-L333 HydrophobicContact CG-CD2 4.33Å; Y325-L333 HydrophobicContact CG-CG 4.43Å; I327-L333 HydrophobicContact CG1-CD1 3.93Å; L333-L342 HydrophobicContact CD2-CD1 4.24Å; L333-L342 WeakPolarHBondContact O-CB 3.27Å; L333-L342 PolarHBondContact O-N 3.23Å; L333-F484 HydrophobicContact CB-CD1 4.11Å; L333-F484 HydrophobicContact CD2-CB 4.32Å; L333-F484 HydrophobicContact CD2-CD1 3.99Å; L333-F484 HydrophobicContact CD2-CD2 4.09Å; L333-F484 HydrophobicContact CD2-CE1 4.28Å; L333-F484 HydrophobicContact CD2-CE2 4.36Å; L333-F484 HydrophobicContact CD2-CG 3.88Å; L333-F484 HydrophobicContact CD2-CZ 4.45Å |
| 334 | K | 94.3 | Very high | 91.4 | Very high | 44 Ų | 44 | 39.3 Ų | 39.3 | 19% | 0.191 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 139.8 | 168.8 | -68 | -179.7 | 175 | 175.4 | 0 | 110.7 | E223 Y325 P326 V336 T340 L341 | E223-K334 IonicContact OE1-NZ 3.73Å; E223-K334 PolarHBondContact OE1-NZ 3.29Å; E223-K334 IonicContact OE2-NZ 3.78Å; E223-K334 PolarHBondContact OE2-NZ 3.44Å; Y325-K334 VanDerWaalsContact CD1-O 3.26Å; Y325-K334 WeakPolarHBondContact CD1-O 3.19Å; P326-K334 HydrophobicContact CB-CB 4.15Å; P326-K334 HydrophobicContact CB-CD 4.44Å; P326-K334 HydrophobicContact CG-CB 4.29Å; P326-K334 PolarHBondContact O-N 3.34Å; K334-V336 PolarHBondContact O-N 3.03Å; K334-T340 CarbonylContact C-O 3.55Å; K334-T340 WeakPolarHBondContact CA-O 3.44Å; K334-L341 HydrophobicContact CG-CD1 3.59Å |
| 335 | S | 91.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -65.9 | 130.4 | 174 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | V220 Y337 T338 G339 T340 E382 | V220-S335 WeakPolarHBondContact CG1-O 3.44Å; S335-Y337 PolarHBondContact O-N 2.91Å; S335-Y337 PolarHBondContact OG-N 3.27Å; S335-Y337 VanDerWaalsContact OG-N 3.07Å; S335-T338 WeakPolarHBondContact CB-OG1 3.39Å; S335-T338 PolarHBondContact OG-N 3.49Å; S335-G339 VanDerWaalsContact O-CA 3.22Å; S335-G339 WeakPolarHBondContact O-CA 3.35Å; S335-G339 PolarHBondContact O-N 2.83Å; S335-T340 PolarHBondContact N-O 2.79Å; S335-E382 WeakPolarHBondContact CB-OE2 3.34Å; S335-E382 PolarHBondContact OG-OE1 3.31Å; S335-E382 PolarHBondContact OG-OE2 3.47Å | ||
| 336 | V | 90.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -13.4 | 171.7 | -60.1 | 0 | 0 | 0 | 0 | 113 | W186 L217 V220 V323 Y325 K334 | W186-V336 HydrophobicContact CZ2-CG2 4.36Å; L217-V336 HydrophobicContact CD2-CB 3.81Å; L217-V336 HydrophobicContact CD2-CG2 4.45Å; V220-V336 HydrophobicContact CG2-CB 4.24Å; V220-V336 HydrophobicContact CG2-CG1 4.42Å; V323-V336 HydrophobicContact CG1-CG1 4.01Å; Y325-V336 HydrophobicContact CD1-CG1 3.82Å; Y325-V336 HydrophobicContact CD1-CG2 4.44Å; Y325-V336 HydrophobicContact CD2-CG1 3.86Å; Y325-V336 HydrophobicContact CD2-CG2 4.5Å; Y325-V336 HydrophobicContact CE1-CB 4.33Å; Y325-V336 HydrophobicContact CE1-CG1 4.03Å; Y325-V336 HydrophobicContact CE1-CG2 3.79Å; Y325-V336 HydrophobicContact CE2-CG1 4.1Å; Y325-V336 HydrophobicContact CE2-CG2 3.89Å; Y325-V336 HydrophobicContact CG-CG1 3.71Å; Y325-V336 VanDerWaalsContact CZ-CG2 3.49Å; K334-V336 PolarHBondContact O-N 3.03Å |
| 337 | Y | 85.1 | Confident | 91.1 | Very high | 51 Ų | 51 | 49.1 Ų | 49.1 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -38.1 | -177.6 | -58.2 | -71.8 | 0 | 0 | 0 | 112.6 | E184 W186 K210 Y325 S335 C456 | E184-Y337 PolarHBondContact OE2-OH 2.59Å; W186-Y337 HydrophobicContact CZ2-CE1 4.21Å; K210-Y337 VanDerWaalsContact NZ-CZ 3.34Å; K210-Y337 PolarHBondContact NZ-OH 2.89Å; Y325-Y337 WeakPolarHBondContact OH-CE2 3.49Å; S335-Y337 PolarHBondContact O-N 2.91Å; S335-Y337 PolarHBondContact OG-N 3.27Å; S335-Y337 VanDerWaalsContact OG-N 3.07Å; Y337-C456 HydrophobicContact CD2-CB 4.04Å; Y337-C456 HydrophobicContact CE2-CB 3.65Å |
| 338 | T | 88.2 | Confident | 90.9 | Very high | 69 Ų | 69 | 51 Ų | 51 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -13.2 | -173.6 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | S335 T340 E382 | S335-T338 WeakPolarHBondContact CB-OG1 3.39Å; S335-T338 PolarHBondContact OG-N 3.49Å; T338-T340 WeakPolarHBondContact CB-OG1 3.31Å; T338-T340 PolarHBondContact O-N 3.03Å; T338-T340 WeakPolarHBondContact OG1-CB 3.48Å; T338-T340 PolarHBondContact OG1-N 3.03Å; T338-T340 VanDerWaalsContact OG1-N 3.11Å; T338-T340 PolarHBondContact OG1-OG1 2.79Å; T338-E382 WeakPolarHBondContact CG2-OE2 3.16Å; T338-E382 PolarHBondContact OG1-OE2 3.35Å |
| 339 | G | 89.4 | Confident | 91 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | trans | 70.9 | 0.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | C219 S335 | C219-G339 PolarHBondContact SG-N 3.06Å; S335-G339 VanDerWaalsContact O-CA 3.22Å; S335-G339 WeakPolarHBondContact O-CA 3.35Å; S335-G339 PolarHBondContact O-N 2.83Å | ||
| 340 | T | 91.3 | Very high | 91.3 | Very high | 61 Ų | 61 | 47 Ų | 47 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | trans | -70.7 | 138.1 | -176.6 | -54.1 | 0 | 0 | 0 | 0 | 110.7 | K334 S335 T338 | K334-T340 CarbonylContact C-O 3.55Å; K334-T340 WeakPolarHBondContact CA-O 3.44Å; S335-T340 PolarHBondContact N-O 2.79Å; T338-T340 WeakPolarHBondContact CB-OG1 3.31Å; T338-T340 PolarHBondContact O-N 3.03Å; T338-T340 WeakPolarHBondContact OG1-CB 3.48Å; T338-T340 PolarHBondContact OG1-N 3.03Å; T338-T340 VanDerWaalsContact OG1-N 3.11Å; T338-T340 PolarHBondContact OG1-OG1 2.79Å | ||
| 341 | L | 94.2 | Very high | 91.6 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 128.2 | 172.7 | -165.3 | 68.7 | 0 | 0 | 0 | 110.3 | D330 L332 K334 T343 | D330-L341 WeakPolarHBondContact OD2-CD2 3.5Å; L332-L341 HydrophobicContact CB-CD1 3.73Å; L332-L341 HydrophobicContact CB-CD2 4.44Å; L332-L341 HydrophobicContact CB-CG 4.06Å; L332-L341 HydrophobicContact CD1-CD2 3.9Å; L332-L341 HydrophobicContact CD1-CG 4.24Å; K334-L341 HydrophobicContact CG-CD1 3.59Å; L341-T343 HydrophobicContact CD2-CG2 4.12Å; L341-T343 HydrophobicContact CG-CG2 4.28Å; L341-T343 PolarHBondContact O-N 3.12Å |
| 342 | L | 95.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 88 | 178.3 | -54.3 | -179.6 | 0 | 0 | 0 | 108.8 | L333 H344 L384 F484 S485 | L333-L342 HydrophobicContact CD2-CD1 4.24Å; L333-L342 WeakPolarHBondContact O-CB 3.27Å; L333-L342 PolarHBondContact O-N 3.23Å; L342-H344 VanDerWaalsContact C-N 3.31Å; L342-H344 PolarHBondContact O-N 2.78Å; L342-L384 HydrophobicContact CD1-CB 4.19Å; L342-F484 HydrophobicContact CB-CB 4.01Å; L342-F484 HydrophobicContact CD1-CB 3.61Å; L342-F484 HydrophobicContact CG-CB 4.45Å; L342-S485 CarbonylContact C-O 3.59Å; L342-S485 VanDerWaalsContact C-O 3.24Å; L342-S485 WeakPolarHBondContact CA-O 3.43Å |
| 343 | T | 94.8 | Very high | 91.6 | Very high | 65 Ų | 65 | 48.8 Ų | 48.8 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | trans | -74 | -16.7 | -171.1 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | L332 L341 S485 | L332-T343 HydrophobicContact CD1-CG2 4.37Å; L341-T343 HydrophobicContact CD2-CG2 4.12Å; L341-T343 HydrophobicContact CG-CG2 4.28Å; L341-T343 PolarHBondContact O-N 3.12Å; T343-S485 PolarHBondContact N-O 3.35Å | ||
| 344 | H | 92.4 | Very high | 91.1 | Very high | 63 Ų | 63 | 55.7 Ų | 55.7 | 29% | 0.292 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.9 | 178.7 | -63.2 | -79.8 | 0 | 0 | 0 | 110.6 | L342 F484 S485 S487 | L342-H344 VanDerWaalsContact C-N 3.31Å; L342-H344 PolarHBondContact O-N 2.78Å; H344-F484 CarbonylContact O-C 3.21Å; H344-F484 VanDerWaalsContact O-CA 3.28Å; H344-F484 WeakPolarHBondContact O-CA 3.28Å; H344-S485 PolarHBondContact N-O 3.36Å; H344-S485 PolarHBondContact O-N 2.99Å; H344-S487 PolarHBondContact CD2-O 3.46Å |
| 345 | S | 93.2 | Very high | 90.2 | Very high | 72 Ų | 72 | 55.9 Ų | 55.9 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 140.8 | 176.3 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | V483 | S345-V483 CarbonylContact C-O 3.49Å; S345-V483 VanDerWaalsContact CA-O 3.23Å; S345-V483 WeakPolarHBondContact CA-O 3.37Å |
| 346 | H | 91.6 | Very high | 89.7 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 148.4 | 175.6 | -56.4 | -68.9 | 0 | 0 | 0 | 110.2 | R482 V483 T489 L491 | H346-R482 CarbonylContact O-C 3.55Å; H346-R482 VanDerWaalsContact O-CA 3.31Å; H346-R482 WeakPolarHBondContact O-CA 3.38Å; H346-V483 HydrophobicContact CB-CB 4.41Å; H346-V483 PolarHBondContact N-O 3.22Å; H346-V483 PolarHBondContact O-N 3.36Å; H346-T489 PolarHBondContact CD2-OG1 3.4Å; H346-T489 PolarHBondContact NE2-O 3Å; H346-T489 PolarHBondContact NE2-OG1 2.89Å; H346-L491 HydrophobicContact CB-CB 3.73Å; H346-L491 HydrophobicContact CB-CD2 3.95Å |
| 347 | Q | 93.1 | Very high | 89.4 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 142.1 | 171.6 | 67.5 | -179.2 | 15.4 | 0 | 0 | 111.7 | G118 L480 I481 R482 | G118-Q347 PolarHBondContact O-NE2 2.84Å; G118-Q347 PolarHBondContact O-OE1 3.24Å; Q347-L480 HydrophobicContact CB-CD1 4.1Å; Q347-L480 HydrophobicContact CB-CD2 4.49Å; Q347-L480 HydrophobicContact CB-CG 4.37Å; Q347-L480 HydrophobicContact CG-CD1 4.47Å; Q347-I481 CarbonylContact C-O 3.56Å; Q347-I481 WeakPolarHBondContact CA-O 3.01Å; Q347-R482 HydrophobicContact CB-CG 4.16Å |
| 348 | L | 90.6 | Very high | 89.5 | Confident | 52 Ų | 52 | 56.5 Ų | 56.5 | 27% | 0.272 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 126.9 | 176.5 | -70 | 179.6 | 0 | 0 | 0 | 110.9 | F373 I481 L491 A493 | L348-F373 HydrophobicContact CB-CD1 4.45Å; L348-F373 HydrophobicContact CB-CE1 4.16Å; L348-F373 HydrophobicContact CD1-CD1 3.87Å; L348-F373 HydrophobicContact CD1-CE1 4.25Å; L348-I481 PolarHBondContact N-O 3.04Å; L348-I481 PolarHBondContact O-N 2.96Å; L348-L491 HydrophobicContact CB-CD2 4.26Å; L348-L491 HydrophobicContact CD1-CD2 3.89Å; L348-L491 HydrophobicContact CD1-CG 3.67Å; L348-L491 HydrophobicContact CG-CD2 3.83Å; L348-L491 HydrophobicContact CG-CG 4.16Å; L348-A493 HydrophobicContact CD1-CB 4.38Å |
| 349 | A | 90.3 | Very high | 89.2 | Confident | 78 Ų | 78 | 53.2 Ų | 53.2 | 65% | 0.645 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 142.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F479 L480 | A349-F479 WeakPolarHBondContact CA-O 3.12Å; A349-L480 HydrophobicContact CB-CD1 4.14Å |
| 350 | S | 91.4 | Very high | 89 | Confident | 35 Ų | 35 | 52 Ų | 52 | 25% | 0.245 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | -173.1 | 175.4 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | F479 | S350-F479 VanDerWaalsContact CB-CZ 3.46Å; S350-F479 PolarHBondContact N-O 3.11Å; S350-F479 PolarHBondContact O-N 3.3Å; S350-F479 VanDerWaalsContact O-O 3.09Å |
| 351 | R | 92.2 | Very high | 88.8 | Confident | 146 Ų | 146 | 49.6 Ų | 49.6 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 144 | -176.3 | 57.4 | -177.3 | 83.2 | 151 | 4.1 | 112 | I353 S357 A477 R478 | R351-I353 HydrophobicContact CB-CG1 4.43Å; R351-I353 HydrophobicContact CG-CD1 3.85Å; R351-I353 HydrophobicContact CG-CG1 3.66Å; R351-S357 PolarHBondContact O-OG 2.93Å; R351-A477 CarbonylContact C-O 3.44Å; R351-A477 WeakPolarHBondContact CA-O 3.34Å; R351-R478 HydrophobicContact CB-CG 4.32Å |
| 352 | W | 91.8 | Very high | 88.3 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.011 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 121.6 | 162.1 | -60.8 | -75 | 0 | 0 | 0 | 108.4 | S357 A358 L387 Q389 I418 P468 T470 A475 E476 A477 F479 | W352-S357 WeakPolarHBondContact CA-OG 3.3Å; W352-A358 HydrophobicContact CB-CB 4Å; W352-L387 HydrophobicContact CH2-CD1 4.27Å; W352-L387 HydrophobicContact CH2-CD2 4.15Å; W352-L387 HydrophobicContact CH2-CG 4.46Å; W352-L387 HydrophobicContact CZ2-CD1 4.48Å; W352-L387 HydrophobicContact CZ2-CD2 4.17Å; W352-Q389 HydrophobicContact CZ3-CB 4.36Å; W352-I418 HydrophobicContact CH2-CB 4.16Å; W352-I418 HydrophobicContact CH2-CG2 3.41Å; W352-I418 VanDerWaalsContact CH2-CG2 3.41Å; W352-I418 HydrophobicContact CZ2-CG2 4.21Å; W352-I418 HydrophobicContact CZ3-CG2 3.77Å; W352-P468 HydrophobicContact CZ2-CB 3.92Å; W352-P468 PolarHBondContact NE1-O 3.32Å; W352-T470 HydrophobicContact CD2-CG2 3.73Å; W352-T470 HydrophobicContact CE3-CG2 3.8Å; W352-T470 HydrophobicContact CG-CG2 4.1Å; W352-T470 HydrophobicContact CH2-CG2 4.48Å; W352-T470 HydrophobicContact CZ2-CG2 4.41Å; W352-T470 HydrophobicContact CZ3-CG2 4.19Å; W352-A475 WeakPolarHBondContact CB-O 3.5Å; W352-E476 WeakPolarHBondContact O-CA 3.48Å; W352-A477 HydrophobicContact CE3-CB 3.83Å; W352-A477 HydrophobicContact CZ3-CB 4.08Å; W352-A477 PolarHBondContact N-O 2.88Å; W352-A477 PolarHBondContact O-N 3.29Å; W352-F479 AromaticContact CD2-CD1 3.63Å; W352-F479 HydrophobicContact CD2-CD1 3.63Å; W352-F479 AromaticContact CD2-CE1 3.7Å; W352-F479 HydrophobicContact CD2-CE1 3.7Å; W352-F479 AromaticContact CE2-CD1 3.78Å; W352-F479 AromaticContact CE2-CE1 3.64Å; W352-F479 AromaticContact CE3-CD1 3.47Å; W352-F479 HydrophobicContact CE3-CD1 3.47Å; W352-F479 VanDerWaalsContact CE3-CD1 3.47Å; W352-F479 HydrophobicContact CE3-CE1 4.06Å; W352-F479 HydrophobicContact CE3-CG 4.37Å; W352-F479 HydrophobicContact CG-CD1 4.44Å; W352-F479 HydrophobicContact CG-CE1 4.16Å; W352-F479 HydrophobicContact CH2-CB 3.99Å; W352-F479 AromaticContact CH2-CD1 3.69Å; W352-F479 HydrophobicContact CH2-CD1 3.69Å; W352-F479 HydrophobicContact CH2-CE1 4.32Å; W352-F479 AromaticContact CH2-CG 3.91Å; W352-F479 HydrophobicContact CH2-CG 3.91Å; W352-F479 AromaticContact CZ2-CD1 3.84Å; W352-F479 HydrophobicContact CZ2-CD1 3.84Å; W352-F479 AromaticContact CZ2-CE1 4Å; W352-F479 HydrophobicContact CZ2-CE1 4Å; W352-F479 HydrophobicContact CZ2-CG 4.29Å; W352-F479 HydrophobicContact CZ3-CB 3.83Å; W352-F479 AromaticContact CZ3-CD1 3.51Å; W352-F479 HydrophobicContact CZ3-CD1 3.51Å; W352-F479 HydrophobicContact CZ3-CE1 4.36Å; W352-F479 AromaticContact CZ3-CG 3.96Å; W352-F479 HydrophobicContact CZ3-CG 3.96Å; W352-F479 AromaticContact NE1-CE1 3.98Å |
| 353 | I | 88.2 | Confident | 87.5 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 32% | 0.323 | 31% | 0.312 | S | S | . | . | trans | -116.9 | 129.4 | -177.8 | -51.9 | 174.6 | 0 | 0 | 0 | 108.1 | R351 G355 H356 S357 A358 | R351-I353 HydrophobicContact CB-CG1 4.43Å; R351-I353 HydrophobicContact CG-CD1 3.85Å; R351-I353 HydrophobicContact CG-CG1 3.66Å; I353-G355 PolarHBondContact O-N 2.5Å; I353-H356 HydrophobicContact CB-CB 4.27Å; I353-H356 HydrophobicContact CG2-CB 4.38Å; I353-H356 PolarHBondContact O-N 3.3Å; I353-H356 VanDerWaalsContact O-N 3.13Å; I353-S357 PolarHBondContact N-OG 2.93Å; I353-S357 PolarHBondContact O-N 3.13Å; I353-A358 WeakPolarHBondContact O-CB 3.38Å; I353-A358 PolarHBondContact O-N 2.86Å | ||
| 354 | K | 84 | Confident | 86.7 | Confident | 150 Ų | 150 | 56.3 Ų | 56.3 | 65% | 0.652 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 133.2 | -179.5 | -175.2 | 173.8 | 179.5 | 178.4 | 0 | 110.8 | H356 E476 | K354-H356 PolarHBondContact O-N 2.91Å; K354-E476 HydrophobicContact CB-CG 3.79Å; K354-E476 WeakPolarHBondContact CB-OE1 3.45Å; K354-E476 PolarHBondContact N-OE1 3.18Å |
| 355 | G | 77.2 | Confident | 86.1 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 50% | 0.495 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 1.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | I353 | I353-G355 PolarHBondContact O-N 2.5Š|
| 356 | H | 79.8 | Confident | 85.4 | Confident | 48 Ų | 48 | 57.6 Ų | 57.6 | 22% | 0.222 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -65.2 | 178.3 | -177.5 | -108.5 | 0 | 0 | 0 | 112.6 | I353 K354 S369 P499 | I353-H356 HydrophobicContact CB-CB 4.27Å; I353-H356 HydrophobicContact CG2-CB 4.38Å; I353-H356 PolarHBondContact O-N 3.3Å; I353-H356 VanDerWaalsContact O-N 3.13Å; K354-H356 PolarHBondContact O-N 2.91Å; H356-S369 WeakPolarHBondContact O-CB 3.33Å; H356-P499 VanDerWaalsContact CD2-CA 3.42Å; H356-P499 WeakPolarHBondContact CD2-CA 3.47Å; H356-P499 WeakPolarHBondContact CD2-CB 3.42Å; H356-P499 VanDerWaalsContact NE2-CA 3.3Å; H356-P499 WeakPolarHBondContact NE2-CA 3.37Å |
| 357 | S | 83.9 | Confident | 85 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -4.9 | -174.3 | 67.1 | 0 | 0 | 0 | 0 | 113.9 | R351 W352 I353 G359 S369 N370 P371 | R351-S357 PolarHBondContact O-OG 2.93Å; W352-S357 WeakPolarHBondContact CA-OG 3.3Å; I353-S357 PolarHBondContact N-OG 2.93Å; I353-S357 PolarHBondContact O-N 3.13Å; S357-G359 VanDerWaalsContact C-N 3.29Å; S357-G359 PolarHBondContact O-N 2.87Å; S357-S369 WeakPolarHBondContact CA-O 3.36Å; S357-N370 WeakPolarHBondContact O-CA 3.48Å; S357-N370 PolarHBondContact O-OD1 3.44Å; S357-P371 WeakPolarHBondContact O-CD 3.31Å |
| 358 | A | 87.8 | Confident | 84.5 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 5% | 0.05 | 31% | 0.309 | C | S | . | . | trans | -82.9 | 70.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | W352 I353 G360 G474 A475 | W352-A358 HydrophobicContact CB-CB 4Å; I353-A358 WeakPolarHBondContact O-CB 3.38Å; I353-A358 PolarHBondContact O-N 2.86Å; A358-G360 VanDerWaalsContact C-N 3.34Å; A358-G360 PolarHBondContact O-N 2.87Å; A358-G474 PolarHBondContact O-N 2.95Å; A358-A475 WeakPolarHBondContact CB-O 3.12Å | ||
| 359 | G | 81.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -76.7 | -13 | -171 | 0 | 0 | 0 | 0 | 0 | 116 | S357 S366 Y367 S369 N370 | S357-G359 VanDerWaalsContact C-N 3.29Å; S357-G359 PolarHBondContact O-N 2.87Å; G359-S366 WeakPolarHBondContact CA-O 3.22Å; G359-S366 CarbonylContact O-C 3.54Å; G359-S366 WeakPolarHBondContact O-CB 3.32Å; G359-S366 PolarHBondContact O-OG 2.9Å; G359-Y367 PolarHBondContact O-N 3.46Å; G359-S369 WeakPolarHBondContact CA-OG 3.3Å; G359-N370 PolarHBondContact N-OD1 2.73Å | ||
| 360 | G | 84.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | 76.7 | -169 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | A358 Y367 N370 S469 T470 | A358-G360 VanDerWaalsContact C-N 3.34Å; A358-G360 PolarHBondContact O-N 2.87Å; G360-Y367 VanDerWaalsContact O-CD2 3.27Å; G360-Y367 WeakPolarHBondContact O-CD2 3.47Å; G360-N370 PolarHBondContact O-ND2 2.72Å; G360-S469 WeakPolarHBondContact O-CB 3.41Å; G360-T470 CarbonylContact C-O 3.54Å; G360-T470 VanDerWaalsContact CA-O 3.31Å; G360-T470 WeakPolarHBondContact CA-O 3.48Å | ||
| 361 | S | 86.9 | Confident | 84.2 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -71.6 | 170.5 | -178.5 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | N363 T364 Y367 H447 T470 Y471 | S361-N363 PolarHBondContact O-N 3.33Å; S361-N363 VanDerWaalsContact O-N 3.08Å; S361-T364 VanDerWaalsContact O-CB 3.3Å; S361-T364 WeakPolarHBondContact O-CB 3.29Å; S361-T364 PolarHBondContact O-N 2.79Å; S361-T364 PolarHBondContact O-OG1 2.85Å; S361-Y367 WeakPolarHBondContact O-CB 3.22Å; S361-Y367 WeakPolarHBondContact O-CD2 3.41Å; S361-H447 VanDerWaalsContact CB-CE1 3.49Å; S361-H447 WeakPolarHBondContact CB-CE1 3.42Å; S361-T470 PolarHBondContact N-O 3.46Å; S361-Y471 WeakPolarHBondContact CB-O 3.44Å; S361-Y471 PolarHBondContact N-O 3.38Å |
| 362 | R | 84.1 | Confident | 84.1 | Confident | 76 Ų | 76 | 43.6 Ų | 43.6 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.6 | 178.3 | -71.8 | -179.8 | 63.9 | 119.7 | 6.7 | 114 | T364 Y367 H421 L436 K438 P440 | R362-T364 PolarHBondContact O-N 2.83Å; R362-Y367 VanDerWaalsContact CA-CD2 3.49Å; R362-Y367 HydrophobicContact CB-CD2 4.41Å; R362-Y367 HydrophobicContact CB-CE2 4.42Å; R362-Y367 HydrophobicContact CG-CD1 4.31Å; R362-Y367 HydrophobicContact CG-CD2 4.1Å; R362-Y367 HydrophobicContact CG-CE1 3.91Å; R362-Y367 HydrophobicContact CG-CE2 3.66Å; R362-Y367 HydrophobicContact CG-CG 4.41Å; R362-Y367 VanDerWaalsContact N-CD2 3.33Å; R362-H421 WeakPolarHBondContact CD-NE2 3.17Å; R362-L436 PolarHBondContact NH2-O 3.23Å; R362-L436 VanDerWaalsContact NH2-O 3.14Å; R362-K438 PolarHBondContact NH2-O 3.06Å; R362-K438 VanDerWaalsContact NH2-O 3.12Å; R362-P440 VanDerWaalsContact NH1-CG 3.35Å |
| 363 | N | 79.3 | Confident | 84.1 | Confident | 152 Ų | 152 | 43.6 Ų | 43.6 | 81% | 0.813 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -2.2 | -179.7 | -60.4 | -9.8 | 0 | 0 | 0 | 112.1 | S361 | S361-N363 PolarHBondContact O-N 3.33Å; S361-N363 VanDerWaalsContact O-N 3.08Å |
| 364 | T | 76.5 | Confident | 84.3 | Confident | 31 Ų | 31 | 41.2 Ų | 41.2 | 19% | 0.19 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -99.5 | 137.5 | 178.9 | -43.5 | 0 | 0 | 0 | 0 | 110.8 | S361 R362 S366 Y367 P473 | S361-T364 VanDerWaalsContact O-CB 3.3Å; S361-T364 WeakPolarHBondContact O-CB 3.29Å; S361-T364 PolarHBondContact O-N 2.79Å; S361-T364 PolarHBondContact O-OG1 2.85Å; R362-T364 PolarHBondContact O-N 2.83Å; T364-S366 VanDerWaalsContact CG2-OG 3.25Å; T364-S366 WeakPolarHBondContact CG2-OG 3.39Å; T364-S366 PolarHBondContact O-N 3.35Å; T364-Y367 VanDerWaalsContact O-CB 3.27Å; T364-Y367 WeakPolarHBondContact O-CB 3.35Å; T364-Y367 PolarHBondContact O-N 3.16Å; T364-P473 HydrophobicContact CG2-CB 3.93Å; T364-P473 HydrophobicContact CG2-CG 3.86Å |
| 365 | S | 79.4 | Confident | 84.7 | Confident | 122 Ų | 122 | 34 Ų | 34 | 85% | 0.853 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -57.6 | -30.8 | 176.6 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | Y367 | S365-Y367 VanDerWaalsContact C-N 3.3Å; S365-Y367 PolarHBondContact O-N 3.25Å |
| 366 | S | 80.1 | Confident | 85.4 | Confident | 40 Ų | 40 | 37.1 Ų | 37.1 | 28% | 0.28 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -80.2 | 2.7 | 176.9 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | G359 T364 S368 S369 | G359-S366 WeakPolarHBondContact CA-O 3.22Å; G359-S366 CarbonylContact O-C 3.54Å; G359-S366 WeakPolarHBondContact O-CB 3.32Å; G359-S366 PolarHBondContact O-OG 2.9Å; T364-S366 VanDerWaalsContact CG2-OG 3.25Å; T364-S366 WeakPolarHBondContact CG2-OG 3.39Å; T364-S366 PolarHBondContact O-N 3.35Å; S366-S368 PolarHBondContact O-N 2.64Å; S366-S368 VanDerWaalsContact O-N 3.07Å; S366-S369 WeakPolarHBondContact O-CB 3.46Å; S366-S369 PolarHBondContact O-N 2.84Å; S366-S369 PolarHBondContact O-OG 3.43Å |
| 367 | Y | 82.9 | Confident | 86 | Confident | 11 Ų | 11 | 35 Ų | 35 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -52.7 | -37.1 | -176.9 | -179.1 | -107 | 0 | 0 | 0 | 113.4 | G359 G360 S361 R362 T364 S365 S369 N370 H421 W423 L436 I467 | G359-Y367 PolarHBondContact O-N 3.46Å; G360-Y367 VanDerWaalsContact O-CD2 3.27Å; G360-Y367 WeakPolarHBondContact O-CD2 3.47Å; S361-Y367 WeakPolarHBondContact O-CB 3.22Å; S361-Y367 WeakPolarHBondContact O-CD2 3.41Å; R362-Y367 VanDerWaalsContact CA-CD2 3.49Å; R362-Y367 HydrophobicContact CB-CD2 4.41Å; R362-Y367 HydrophobicContact CB-CE2 4.42Å; R362-Y367 HydrophobicContact CG-CD1 4.31Å; R362-Y367 HydrophobicContact CG-CD2 4.1Å; R362-Y367 HydrophobicContact CG-CE1 3.91Å; R362-Y367 HydrophobicContact CG-CE2 3.66Å; R362-Y367 HydrophobicContact CG-CG 4.41Å; R362-Y367 VanDerWaalsContact N-CD2 3.33Å; T364-Y367 VanDerWaalsContact O-CB 3.27Å; T364-Y367 WeakPolarHBondContact O-CB 3.35Å; T364-Y367 PolarHBondContact O-N 3.16Å; S365-Y367 VanDerWaalsContact C-N 3.3Å; S365-Y367 PolarHBondContact O-N 3.25Å; Y367-S369 PolarHBondContact O-N 2.91Å; Y367-S369 VanDerWaalsContact O-N 3.15Å; Y367-N370 WeakPolarHBondContact CD2-ND2 3.12Å; Y367-N370 WeakPolarHBondContact O-CB 3.45Å; Y367-N370 PolarHBondContact O-N 3.07Å; Y367-N370 VanDerWaalsContact O-N 3.14Å; Y367-N370 PolarHBondContact O-ND2 2.66Å; Y367-H421 WeakPolarHBondContact OH-CB 3.25Å; Y367-H421 PolarHBondContact OH-ND1 2.77Å; Y367-W423 AromaticContact CE1-CH2 3.91Å; Y367-W423 HydrophobicContact CE1-CH2 3.91Å; Y367-W423 WeakPolarHBondContact OH-CH2 3.39Å; Y367-L436 HydrophobicContact CD1-CD1 4.27Å; Y367-L436 HydrophobicContact CE1-CD2 4.32Å; Y367-I467 HydrophobicContact CE1-CD1 4.32Å; Y367-I467 HydrophobicContact CE1-CG2 4.3Å; Y367-I467 HydrophobicContact CE2-CG2 4.35Å |
| 368 | S | 83.1 | Confident | 86.3 | Confident | 62 Ų | 62 | 37.1 Ų | 37.1 | 43% | 0.434 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -65.6 | -12 | 178.9 | 66.3 | 0 | 0 | 0 | 0 | 114 | S366 K372 | S366-S368 PolarHBondContact O-N 2.64Å; S366-S368 VanDerWaalsContact O-N 3.07Å; S368-K372 WeakPolarHBondContact O-CE 3.43Å; S368-K372 PolarHBondContact O-NZ 3.02Å |
| 369 | S | 82.8 | Confident | 86.5 | Confident | 47 Ų | 47 | 42.6 Ų | 42.6 | 33% | 0.329 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -84 | -15.3 | 174.8 | 70.2 | 0 | 0 | 0 | 0 | 113.8 | H356 S357 G359 S366 Y367 | H356-S369 WeakPolarHBondContact O-CB 3.33Å; S357-S369 WeakPolarHBondContact CA-O 3.36Å; G359-S369 WeakPolarHBondContact CA-OG 3.3Å; S366-S369 WeakPolarHBondContact O-CB 3.46Å; S366-S369 PolarHBondContact O-N 2.84Å; S366-S369 PolarHBondContact O-OG 3.43Å; Y367-S369 PolarHBondContact O-N 2.91Å; Y367-S369 VanDerWaalsContact O-N 3.15Å |
| 370 | N | 89.6 | Confident | 87.1 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.011 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -54.9 | 150.4 | 178.1 | -76.9 | -65.4 | 0 | 0 | 0 | 112.1 | S357 G359 G360 Y367 K372 I467 | S357-N370 WeakPolarHBondContact O-CA 3.48Å; S357-N370 PolarHBondContact O-OD1 3.44Å; G359-N370 PolarHBondContact N-OD1 2.73Å; G360-N370 PolarHBondContact O-ND2 2.72Å; Y367-N370 WeakPolarHBondContact CD2-ND2 3.12Å; Y367-N370 WeakPolarHBondContact O-CB 3.45Å; Y367-N370 PolarHBondContact O-N 3.07Å; Y367-N370 VanDerWaalsContact O-N 3.14Å; Y367-N370 PolarHBondContact O-ND2 2.66Å; N370-K372 PolarHBondContact O-NZ 2.99Å; N370-I467 HydrophobicContact CB-CG2 3.64Å |
| 371 | P | 92.6 | Very high | 87.5 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 10% | 0.097 | 26% | 0.263 | C | S | . | . | trans | -53.3 | 148 | 174.7 | -26.7 | 37.3 | 0 | 0 | 0 | 111.6 | S357 F373 P468 F479 | S357-P371 WeakPolarHBondContact O-CD 3.31Å; P371-F373 HydrophobicContact CB-CE2 3.73Å; P371-F373 HydrophobicContact CB-CZ 4.17Å; P371-P468 HydrophobicContact CB-CG 4.4Å; P371-P468 WeakPolarHBondContact O-CD 3.35Å; P371-F479 HydrophobicContact CB-CZ 3.96Å; P371-F479 HydrophobicContact CG-CE1 4.04Å; P371-F479 HydrophobicContact CG-CZ 3.88Å | ||
| 372 | K | 90.7 | Very high | 87.9 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 9% | 0.087 | 26% | 0.264 | C | S | . | . | trans | -128.8 | 140.9 | -177.9 | -81.9 | 155.8 | -162.2 | 51.9 | 0 | 109.9 | S368 N370 L432 L465 L466 I467 L494 | S368-K372 WeakPolarHBondContact O-CE 3.43Å; S368-K372 PolarHBondContact O-NZ 3.02Å; N370-K372 PolarHBondContact O-NZ 2.99Å; K372-L432 HydrophobicContact CD-CD1 4.34Å; K372-L432 HydrophobicContact CD-CD2 4.26Å; K372-L432 VanDerWaalsContact CE-CD2 3.44Å; K372-L465 HydrophobicContact CB-CD1 3.96Å; K372-L465 HydrophobicContact CG-CD1 4.11Å; K372-L465 HydrophobicContact CG-CD2 4.43Å; K372-L466 WeakPolarHBondContact CA-O 3.44Å; K372-I467 HydrophobicContact CG-CD1 4Å; K372-I467 HydrophobicContact CG-CG1 3.88Å; K372-L494 HydrophobicContact CB-CB 3.76Å; K372-L494 HydrophobicContact CB-CD2 3.83Å; K372-L494 HydrophobicContact CB-CG 4.44Å; K372-L494 HydrophobicContact CD-CD2 3.88Å; K372-L494 HydrophobicContact CG-CD2 4.46Å; K372-L494 WeakPolarHBondContact O-CB 3.42Å; K372-L494 PolarHBondContact O-N 2.7Å | ||
| 373 | F | 91.5 | Very high | 88.4 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.2 | 178.9 | -55 | -100 | 0 | 0 | 0 | 110.1 | L348 P371 L466 P468 F479 I481 L491 S492 A493 | L348-F373 HydrophobicContact CB-CD1 4.45Å; L348-F373 HydrophobicContact CB-CE1 4.16Å; L348-F373 HydrophobicContact CD1-CD1 3.87Å; L348-F373 HydrophobicContact CD1-CE1 4.25Å; P371-F373 HydrophobicContact CB-CE2 3.73Å; P371-F373 HydrophobicContact CB-CZ 4.17Å; F373-L466 HydrophobicContact CB-CB 4.21Å; F373-L466 PolarHBondContact N-O 3.12Å; F373-L466 PolarHBondContact O-N 2.86Å; F373-P468 HydrophobicContact CD2-CG 4.18Å; F373-P468 HydrophobicContact CE2-CG 3.69Å; F373-F479 AromaticContact CE2-CE2 3.97Å; F373-F479 HydrophobicContact CE2-CE2 3.97Å; F373-F479 HydrophobicContact CE2-CZ 4.07Å; F373-F479 AromaticContact CZ-CE2 3.9Å; F373-F479 HydrophobicContact CZ-CE2 3.9Å; F373-F479 HydrophobicContact CZ-CZ 4.09Å; F373-I481 HydrophobicContact CD2-CD1 3.52Å; F373-I481 HydrophobicContact CE2-CD1 3.69Å; F373-I481 HydrophobicContact CG-CD1 4.07Å; F373-I481 HydrophobicContact CZ-CD1 4.34Å; F373-L491 HydrophobicContact CB-CD1 4.11Å; F373-S492 CarbonylContact C-O 3.52Å; F373-S492 VanDerWaalsContact CA-O 3.3Å; F373-S492 WeakPolarHBondContact CA-O 3.45Å; F373-A493 HydrophobicContact CD1-CB 3.91Å; F373-A493 HydrophobicContact CE1-CB 3.89Å |
| 374 | W | 91.3 | Very high | 89.2 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 125.4 | 169.6 | -79.4 | 120.9 | 0 | 0 | 0 | 109.7 | V425 F430 L465 L491 S492 L651 | W374-V425 HydrophobicContact CH2-CB 4.08Å; W374-V425 HydrophobicContact CH2-CG1 4.01Å; W374-V425 HydrophobicContact CH2-CG2 3.68Å; W374-V425 HydrophobicContact CZ3-CB 3.94Å; W374-V425 HydrophobicContact CZ3-CG1 4.36Å; W374-V425 HydrophobicContact CZ3-CG2 3.51Å; W374-F430 AromaticContact CH2-CE1 3.49Å; W374-F430 HydrophobicContact CH2-CE1 3.49Å; W374-F430 VanDerWaalsContact CH2-CE1 3.49Å; W374-F430 AromaticContact CH2-CZ 3.62Å; W374-F430 HydrophobicContact CH2-CZ 3.62Å; W374-F430 AromaticContact CZ2-CE1 3.67Å; W374-F430 HydrophobicContact CZ2-CE1 3.67Å; W374-F430 AromaticContact CZ2-CZ 3.68Å; W374-F430 HydrophobicContact CZ2-CZ 3.68Å; W374-L465 HydrophobicContact CZ3-CB 4.2Å; W374-L491 CarbonylContact O-C 3.58Å; W374-L491 WeakPolarHBondContact O-CA 3.46Å; W374-S492 PolarHBondContact N-O 3.36Å; W374-S492 PolarHBondContact O-N 3.34Å; W374-L651 HydrophobicContact CH2-CD1 3.94Å; W374-L651 HydrophobicContact CZ2-CD1 4.42Å; W374-L651 HydrophobicContact CZ3-CD1 4.12Å |
| 375 | L | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 117.5 | 165.5 | 171.3 | 64.9 | 0 | 0 | 0 | 108.3 | V377 V383 V385 M422 L459 Y464 L466 V483 T489 S490 | L375-V377 HydrophobicContact CD2-CG2 4.42Å; L375-V377 HydrophobicContact CG-CG2 4.23Å; L375-V383 HydrophobicContact CD2-CG1 3.97Å; L375-V385 HydrophobicContact CD2-CG2 4.37Å; L375-M422 HydrophobicContact CD2-CE 4.44Å; L375-L459 HydrophobicContact CD2-CD1 4.19Å; L375-Y464 PolarHBondContact N-O 3.3Å; L375-Y464 PolarHBondContact O-N 3.21Å; L375-L466 HydrophobicContact CB-CD1 3.93Å; L375-L466 HydrophobicContact CB-CG 4.22Å; L375-L466 HydrophobicContact CD2-CD1 4.36Å; L375-V483 HydrophobicContact CD1-CG1 3.9Å; L375-V483 HydrophobicContact CD1-CG2 4.38Å; L375-T489 HydrophobicContact CD1-CG2 4.25Å; L375-S490 CarbonylContact C-O 3.5Å; L375-S490 WeakPolarHBondContact CA-O 3.41Å |
| 376 | R | 93 | Very high | 91.1 | Very high | 113 Ų | 113 | 29.3 Ų | 29.3 | 43% | 0.426 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 129.6 | 169.5 | -175.9 | -177.4 | 173.8 | -177.1 | -4.2 | 108.6 | G462 Y463 T489 S490 | R376-G462 WeakPolarHBondContact CA-O 3.29Å; R376-Y463 HydrophobicContact CB-CD1 4.14Å; R376-Y463 HydrophobicContact CB-CE1 4.02Å; R376-Y463 HydrophobicContact CG-CD1 4.25Å; R376-Y463 HydrophobicContact CG-CE1 3.86Å; R376-Y463 HydrophobicContact CG-CE2 4.37Å; R376-T489 CarbonylContact O-C 3.53Å; R376-T489 WeakPolarHBondContact O-CA 3.35Å; R376-T489 WeakPolarHBondContact O-CB 3.48Å; R376-S490 WeakPolarHBondContact CB-OG 3.3Å; R376-S490 PolarHBondContact N-O 2.92Å; R376-S490 PolarHBondContact O-N 3.22Å |
| 377 | V | 92.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.1 | 172.1 | -179.2 | 0 | 0 | 0 | 0 | 107.2 | L375 E379 V383 L459 P461 G462 Y464 T489 | L375-V377 HydrophobicContact CD2-CG2 4.42Å; L375-V377 HydrophobicContact CG-CG2 4.23Å; V377-E379 WeakPolarHBondContact CG1-O 3.37Å; V377-V383 HydrophobicContact CG2-CG2 4.18Å; V377-L459 HydrophobicContact CG1-CB 4.43Å; V377-L459 HydrophobicContact CG2-CB 4.16Å; V377-L459 HydrophobicContact CG2-CD1 4.02Å; V377-P461 WeakPolarHBondContact O-CA 3.41Å; V377-G462 PolarHBondContact N-O 3.37Å; V377-G462 PolarHBondContact O-N 3.49Å; V377-Y464 HydrophobicContact CB-CD2 4.48Å; V377-Y464 HydrophobicContact CB-CE2 4.17Å; V377-Y464 HydrophobicContact CG2-CD2 3.84Å; V377-Y464 HydrophobicContact CG2-CE2 3.84Å; V377-T489 HydrophobicContact CG2-CG2 4.2Å |
| 378 | C | 89.3 | Confident | 92.5 | Very high | 55 Ų | 55 | 26.9 Ų | 26.9 | 37% | 0.372 | 15% | 0.147 | S | C | . | . | trans | -83.6 | -37.5 | -176.8 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | P461 P488 | C378-P461 WeakPolarHBondContact O-CB 3.3Å; C378-P488 HydrophobicContact CB-CB 4.13Å; C378-P488 VanDerWaalsContact CB-O 3.29Å; C378-P488 WeakPolarHBondContact CB-O 3.08Å; C378-P488 PolarHBondContact N-O 3.5Å | ||
| 379 | E | 91.9 | Very high | 93 | Very high | 120 Ų | 120 | 24 Ų | 24 | 56% | 0.561 | 13% | 0.127 | S | C | * | . | S | Bend | trans | -137.3 | 152.5 | -175 | -68 | 176.6 | -172.6 | 0 | 0 | 109.9 | V377 G381 S487 | V377-E379 WeakPolarHBondContact CG1-O 3.37Å; E379-G381 PolarHBondContact O-N 2.84Å; E379-S487 WeakPolarHBondContact O-CB 3.25Å; E379-S487 PolarHBondContact O-OG 2.86Å |
| 380 | T | 94.9 | Very high | 93.2 | Very high | 81 Ų | 81 | 22.7 Ų | 22.7 | 50% | 0.497 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -57.4 | 125.4 | 177.3 | -48.7 | 0 | 0 | 0 | 0 | 109.5 | L459 E460 P461 | T380-L459 VanDerWaalsContact CA-O 3.32Å; T380-L459 WeakPolarHBondContact CA-O 3.48Å; T380-E460 WeakPolarHBondContact CG2-OE1 3.36Å; T380-E460 PolarHBondContact OG1-OE2 3.42Å; T380-P461 VanDerWaalsContact OG1-CD 3.29Å; T380-P461 WeakPolarHBondContact OG1-CD 3.48Å |
| 381 | G | 92.8 | Very high | 92.6 | Very high | 10 Ų | 10 | 26.9 Ų | 26.9 | 10% | 0.103 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 165.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E379 P458 L459 | E379-G381 PolarHBondContact O-N 2.84Å; G381-P458 WeakPolarHBondContact O-CA 3.39Å; G381-L459 PolarHBondContact N-O 3.4Å; G381-L459 VanDerWaalsContact N-O 3.12Å; G381-L459 PolarHBondContact O-N 2.87Å |
| 382 | E | 94.7 | Very high | 91.2 | Very high | 19 Ų | 19 | 31 Ų | 31 | 9% | 0.089 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 130.8 | 172.4 | -169.8 | 173.4 | -153 | 0 | 0 | 109.1 | S335 T338 C456 S485 S486 | S335-E382 WeakPolarHBondContact CB-OE2 3.34Å; S335-E382 PolarHBondContact OG-OE1 3.31Å; S335-E382 PolarHBondContact OG-OE2 3.47Å; T338-E382 WeakPolarHBondContact CG2-OE2 3.16Å; T338-E382 PolarHBondContact OG1-OE2 3.35Å; E382-C456 PolarHBondContact OE1-SG 3.28Å; E382-S485 WeakPolarHBondContact O-CA 3.37Å; E382-S485 WeakPolarHBondContact O-CB 3.39Å; E382-S485 PolarHBondContact O-OG 2.97Å; E382-S486 PolarHBondContact N-OG 3.43Å; E382-S486 PolarHBondContact O-N 3.17Å |
| 383 | V | 95.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.5 | 176.7 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | L375 V377 V385 C456 R457 L459 V483 S485 T489 | L375-V383 HydrophobicContact CD2-CG1 3.97Å; V377-V383 HydrophobicContact CG2-CG2 4.18Å; V383-V385 HydrophobicContact CG1-CG2 4.06Å; V383-C456 WeakPolarHBondContact O-CA 3.37Å; V383-R457 PolarHBondContact N-O 3.12Å; V383-R457 PolarHBondContact O-N 3.09Å; V383-L459 HydrophobicContact CB-CD1 3.83Å; V383-L459 HydrophobicContact CB-CG 4.13Å; V383-L459 HydrophobicContact CG1-CD1 4.25Å; V383-L459 HydrophobicContact CG2-CB 4.1Å; V383-L459 HydrophobicContact CG2-CD1 3.86Å; V383-L459 HydrophobicContact CG2-CG 4.07Å; V383-V483 HydrophobicContact CG1-CG1 3.84Å; V383-S485 WeakPolarHBondContact CG2-OG 3.42Å; V383-T489 HydrophobicContact CG2-CG2 4.39Å |
| 384 | L | 96.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124.2 | 171.9 | -175.9 | 153.2 | 0 | 0 | 0 | 108.9 | V182 Y325 L342 V454 L455 C456 V483 F484 | V182-L384 HydrophobicContact CG1-CD2 4.36Å; V182-L384 HydrophobicContact CG2-CD2 3.99Å; Y325-L384 HydrophobicContact CD1-CD1 3.93Å; Y325-L384 HydrophobicContact CE1-CD1 3.14Å; Y325-L384 HydrophobicContact CE2-CD1 4.31Å; Y325-L384 VanDerWaalsContact OH-CD1 3.3Å; Y325-L384 WeakPolarHBondContact OH-CD1 3.47Å; L342-L384 HydrophobicContact CD1-CB 4.19Å; L384-V454 HydrophobicContact CD1-CG1 3.91Å; L384-V454 HydrophobicContact CD2-CG1 3.79Å; L384-V454 HydrophobicContact CG-CG1 3.67Å; L384-L455 CarbonylContact C-O 3.48Å; L384-L455 WeakPolarHBondContact CA-O 3.44Å; L384-C456 HydrophobicContact CB-CB 4.44Å; L384-C456 HydrophobicContact CD1-CB 4.47Å; L384-C456 HydrophobicContact CG-CB 4.42Å; L384-V483 CarbonylContact O-C 3.48Å; L384-V483 WeakPolarHBondContact O-CA 3.39Å; L384-F484 HydrophobicContact CB-CB 4.36Å; L384-F484 HydrophobicContact CD2-CD2 3.63Å; L384-F484 HydrophobicContact CD2-CE2 4.32Å; L384-F484 HydrophobicContact CD2-CG 4.5Å; L384-F484 PolarHBondContact N-O 2.98Å; L384-F484 PolarHBondContact O-N 3.22Å |
| 385 | V | 97.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.2 | 174.4 | -168.4 | 0 | 0 | 0 | 0 | 108.6 | L375 V383 L420 M422 L455 L466 I481 R482 V483 | L375-V385 HydrophobicContact CD2-CG2 4.37Å; V383-V385 HydrophobicContact CG1-CG2 4.06Å; V385-L420 HydrophobicContact CB-CD2 3.84Å; V385-L420 HydrophobicContact CG1-CD2 3.46Å; V385-L420 VanDerWaalsContact CG1-CD2 3.46Å; V385-M422 HydrophobicContact CG2-CE 3.83Å; V385-L455 PolarHBondContact N-O 3.22Å; V385-L455 PolarHBondContact O-N 3.07Å; V385-L466 HydrophobicContact CG1-CD1 4.02Å; V385-L466 HydrophobicContact CG2-CD2 4.46Å; V385-I481 HydrophobicContact CG1-CG2 4.28Å; V385-R482 CarbonylContact C-O 3.43Å; V385-R482 VanDerWaalsContact CA-O 3.31Å; V385-R482 WeakPolarHBondContact CA-O 3.01Å; V385-V483 HydrophobicContact CG1-CG2 4.06Å; V385-V483 HydrophobicContact CG2-CG2 4.2Å |
| 386 | S | 96.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 141.9 | 172.9 | 100.6 | 0 | 0 | 0 | 0 | 111.2 | E452 V453 I481 R482 | S386-E452 WeakPolarHBondContact CB-OE1 3.08Å; S386-E452 PolarHBondContact OG-OE1 2.79Å; S386-V453 WeakPolarHBondContact CA-O 3.43Å; S386-I481 CarbonylContact O-C 3.57Å; S386-I481 WeakPolarHBondContact O-CA 3.33Å; S386-R482 PolarHBondContact N-O 2.87Å; S386-R482 PolarHBondContact O-N 3.21Å; S386-R482 PolarHBondContact OG-NE 3.2Å |
| 387 | L | 97.4 | Very high | 79.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 106.8 | 174.4 | 173.3 | 65.4 | 0 | 0 | 0 | 108.1 | W352 I418 L420 E452 V453 P468 F479 I481 | W352-L387 HydrophobicContact CH2-CD1 4.27Å; W352-L387 HydrophobicContact CH2-CD2 4.15Å; W352-L387 HydrophobicContact CH2-CG 4.46Å; W352-L387 HydrophobicContact CZ2-CD1 4.48Å; W352-L387 HydrophobicContact CZ2-CD2 4.17Å; L387-I418 HydrophobicContact CD2-CB 4.23Å; L387-I418 HydrophobicContact CD2-CD1 4.21Å; L387-I418 HydrophobicContact CG-CD1 4.13Å; L387-L420 HydrophobicContact CD2-CB 4.37Å; L387-E452 VanDerWaalsContact O-CA 3.31Å; L387-E452 WeakPolarHBondContact O-CA 3.22Å; L387-V453 HydrophobicContact CB-CG2 3.83Å; L387-V453 HydrophobicContact CD2-CG2 4.09Å; L387-V453 HydrophobicContact CG-CG2 4.34Å; L387-V453 PolarHBondContact N-O 3.34Å; L387-V453 PolarHBondContact O-N 3.07Å; L387-P468 HydrophobicContact CD1-CB 3.56Å; L387-P468 HydrophobicContact CD1-CG 4.45Å; L387-P468 HydrophobicContact CD2-CB 3.54Å; L387-P468 HydrophobicContact CG-CB 4.18Å; L387-F479 HydrophobicContact CD1-CB 4.02Å; L387-F479 HydrophobicContact CD1-CD2 3.33Å; L387-F479 HydrophobicContact CD1-CE2 3.93Å; L387-F479 HydrophobicContact CD1-CG 3.83Å; L387-I481 HydrophobicContact CD1-CG1 3.83Å |
| 388 | L | 95.8 | Very high | 76.8 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.4 | -177.1 | -175.7 | 145.8 | 0 | 0 | 0 | 110.4 | W115 V176 R451 E452 F479 L480 | W115-L388 HydrophobicContact CH2-CD1 3.84Å; W115-L388 HydrophobicContact CZ3-CD1 3.84Å; V176-L388 HydrophobicContact CG1-CD1 3.98Å; L388-R451 CarbonylContact C-O 3.5Å; L388-R451 WeakPolarHBondContact CA-O 3.38Å; L388-E452 HydrophobicContact CB-CB 4.37Å; L388-E452 HydrophobicContact CB-CG 4.44Å; L388-E452 HydrophobicContact CD1-CB 4.42Å; L388-E452 HydrophobicContact CG-CB 4.43Å; L388-F479 CarbonylContact O-C 3.24Å; L388-F479 WeakPolarHBondContact O-CA 3.45Å; L388-F479 WeakPolarHBondContact O-CB 3.22Å; L388-L480 HydrophobicContact CB-CB 4.45Å; L388-L480 PolarHBondContact N-O 3.1Å; L388-L480 PolarHBondContact O-N 3.23Å |
| 389 | Q | 93.9 | Very high | 74.5 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 156.2 | 174.7 | 66.1 | 179.4 | -49.1 | 0 | 0 | 112.2 | W352 Y415 Q416 I418 E450 R451 R478 | W352-Q389 HydrophobicContact CZ3-CB 4.36Å; Q389-Y415 HydrophobicContact CG-CD1 3.71Å; Q389-Y415 HydrophobicContact CG-CE1 4.32Å; Q389-Y415 HydrophobicContact CG-CG 4.42Å; Q389-Q416 PolarHBondContact NE2-O 3.06Å; Q389-Q416 PolarHBondContact OE1-O 2.8Å; Q389-I418 HydrophobicContact CB-CD1 4.16Å; Q389-I418 HydrophobicContact CG-CD1 3.94Å; Q389-E450 PolarHBondContact NE2-O 3.36Å; Q389-R451 WeakPolarHBondContact CG-O 3.49Å; Q389-R451 PolarHBondContact N-O 2.85Å; Q389-R478 WeakPolarHBondContact CA-O 3.27Å |
| 390 | H | 87.5 | Confident | 71.8 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 9% | 0.088 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 137.2 | 179 | -60.6 | 49.5 | 0 | 0 | 0 | 109.6 | Q117 K392 R478 | Q117-H390 PolarHBondContact OE1-CD2 2.87Å; Q117-H390 PolarHBondContact OE1-NE2 2.64Å; H390-K392 PolarHBondContact O-N 3.47Å; H390-R478 HydrophobicContact CB-CB 4.04Å; H390-R478 PolarHBondContact N-O 3.14Å; H390-R478 PolarHBondContact ND1-O 3.44Å |
| 391 | R | 75.4 | Confident | 68.9 | Low | 91 Ų | 91 | 76.8 Ų | 76.8 | 34% | 0.343 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 133.4 | 172.9 | -164.6 | 174.8 | 179.6 | -171.1 | 0.5 | 109.5 | R393 H414 Y415 | R391-R393 PolarHBondContact O-N 3.29Å; R391-H414 HydrophobicContact CG-CB 4.23Å; R391-H414 PolarHBondContact NH2-NE2 2.95Å; R391-Y415 HydrophobicContact CB-CE1 3.78Å; R391-Y415 HydrophobicContact CG-CE1 4.16Å |
| 392 | K | 64.2 | Low | 66 | Low | 102 Ų | 102 | 79.6 Ų | 79.6 | 44% | 0.443 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -70 | 123.6 | 168.8 | -77.8 | -177.5 | 177.8 | 172.2 | 0 | 108.5 | H390 R394 E476 | H390-K392 PolarHBondContact O-N 3.47Å; K392-R394 PolarHBondContact O-N 3.23Å; K392-E476 WeakPolarHBondContact CE-O 3.3Å; K392-E476 PolarHBondContact NZ-O 3.3Å |
| 393 | R | 50.9 | Low | 62.9 | Low | 235 Ų | 235 | 86 Ų | 86 | 89% | 0.887 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 132.9 | 170.9 | -109.8 | -177 | 175.2 | -179.8 | -2.3 | 108.6 | R391 N395 | R391-R393 PolarHBondContact O-N 3.29Å; R393-N395 PolarHBondContact O-N 2.93Å |
| 394 | R | 49.3 | Very low | 60 | Low | 111 Ų | 111 | 91.1 Ų | 91.1 | 42% | 0.419 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 117.8 | 171.3 | -76.2 | 178.2 | 174.1 | -175.2 | -8.1 | 107.8 | D30 K392 T396 | D30-R394 IonicContact OD1-NH1 3.74Å; D30-R394 IonicContact OD2-CZ 2.87Å; D30-R394 IonicContact OD2-NH1 2.68Å; D30-R394 PolarHBondContact OD2-NH1 3.19Å; D30-R394 IonicContact OD2-NH2 3.4Å; K392-R394 PolarHBondContact O-N 3.23Å; R394-T396 PolarHBondContact O-N 3.45Å |
| 395 | N | 36.8 | Very low | 56.9 | Low | 105 Ų | 105 | 100.2 Ų | 100.2 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | trans | -83 | 104.5 | 164 | -104.2 | 17.8 | 0 | 0 | 0 | 107 | R393 E397 K398 | R393-N395 PolarHBondContact O-N 2.93Å; N395-E397 PolarHBondContact O-N 2.77Å; N395-E397 VanDerWaalsContact O-N 3.14Å; N395-K398 PolarHBondContact O-N 2.79Å | ||
| 396 | T | 40.9 | Very low | 53.7 | Low | 125 Ų | 125 | 105.3 Ų | 105.3 | 77% | 0.767 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.7 | 178.7 | 2.5 | 0 | 0 | 0 | 0 | 113.1 | R394 | R394-T396 PolarHBondContact O-N 3.45Š|
| 397 | E | 36.2 | Very low | 50.7 | Low | 174 Ų | 174 | 109.7 Ų | 109.7 | 81% | 0.813 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -17.2 | -174.8 | -64.8 | -179.5 | 167.7 | 0 | 0 | 115.3 | N395 | N395-E397 PolarHBondContact O-N 2.77Å; N395-E397 VanDerWaalsContact O-N 3.14Å |
| 398 | K | 34.9 | Very low | 47.4 | Very low | 169 Ų | 169 | 114.7 Ų | 114.7 | 74% | 0.735 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -102.3 | -9.2 | -170.8 | -81.1 | -170.9 | 175.5 | -177 | 0 | 116.1 | N395 | N395-K398 PolarHBondContact O-N 2.79Š|
| 399 | Y | 40.5 | Very low | 44.3 | Very low | 162 Ų | 162 | 119.6 Ų | 119.6 | 64% | 0.635 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -104.6 | 0.6 | -174.4 | -85.6 | -84.6 | 0 | 0 | 0 | 115 | Q401 A402 | Y399-Q401 PolarHBondContact O-N 3.42Å; Y399-A402 HydrophobicContact CD1-CB 4.28Å |
| 400 | A | 35.1 | Very low | 41.7 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 79% | 0.793 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 5.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 401 | Q | 33.5 | Very low | 39.5 | Very low | 191 Ų | 191 | 129.3 Ų | 129.3 | 89% | 0.893 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | 14.1 | -176 | -70 | -163.6 | -19.1 | 0 | 0 | 115.3 | Y399 | Y399-Q401 PolarHBondContact O-N 3.42Š|
| 402 | A | 32.2 | Very low | 38 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 57% | 0.57 | 67% | 0.669 | S | S | * | * | trans | -100.3 | 129.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y399 | Y399-A402 HydrophobicContact CD1-CB 4.28Š| ||
| 403 | D | 30.2 | Very low | 37.5 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 82% | 0.824 | 67% | 0.672 | S | S | * | * | trans | -61.3 | 153.3 | -177.9 | -98.2 | -41.1 | 0 | 0 | 0 | 113.9 | E405 | D403-E405 PolarHBondContact O-N 2.95Š| ||
| 404 | P | 34 | Very low | 38.4 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -80.4 | 0.7 | -168 | -9.2 | 27.2 | 0 | 0 | 0 | 116.2 | D406 | P404-D406 PolarHBondContact O-N 2.94Š|
| 405 | E | 31.3 | Very low | 40.2 | Very low | 192 Ų | 192 | 117.5 Ų | 117.5 | 90% | 0.897 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -80.8 | -6.8 | -165 | -73.3 | -160.7 | 155.1 | 0 | 0 | 116.2 | D403 | D403-E405 PolarHBondContact O-N 2.95Š|
| 406 | D | 31.7 | Very low | 42.8 | Very low | 106 Ų | 106 | 114.1 Ų | 114.1 | 57% | 0.567 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -111.4 | 36.3 | -175.9 | -143.9 | 5.3 | 0 | 0 | 0 | 113.6 | P404 S408 N409 | P404-D406 PolarHBondContact O-N 2.94Å; D406-S408 PolarHBondContact O-N 3.38Å; D406-N409 PolarHBondContact O-N 2.96Å |
| 407 | S | 32.1 | Very low | 45.2 | Very low | 92 Ų | 92 | 108.4 Ų | 108.4 | 64% | 0.643 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -8 | -171.7 | 63 | 0 | 0 | 0 | 0 | 115.2 | T410 | S407-T410 PolarHBondContact O-OG1 2.85Š|
| 408 | S | 29.7 | Very low | 48 | Very low | 106 Ų | 106 | 100.1 Ų | 100.1 | 74% | 0.741 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -15.4 | 178.8 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | D406 | D406-S408 PolarHBondContact O-N 3.38Š|
| 409 | N | 30.6 | Very low | 50.8 | Low | 104 Ų | 104 | 92.1 Ų | 92.1 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -105.8 | 7.4 | -174.5 | -109.5 | -20.8 | 0 | 0 | 0 | 114.8 | D406 K411 | D406-N409 PolarHBondContact O-N 2.96Å; N409-K411 PolarHBondContact O-N 2.99Å |
| 410 | T | 37.5 | Very low | 53.5 | Low | 68 Ų | 68 | 84.4 Ų | 84.4 | 42% | 0.417 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -75.6 | -16.5 | -170.3 | 48.7 | 0 | 0 | 0 | 0 | 114.7 | S407 H412 | S407-T410 PolarHBondContact O-OG1 2.85Å; T410-H412 PolarHBondContact O-N 3.32Å |
| 411 | K | 41.5 | Very low | 56.3 | Low | 155 Ų | 155 | 80.6 Ų | 80.6 | 67% | 0.674 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -71.2 | -22.6 | -175.1 | -68.4 | -175 | 178.2 | -179.3 | 0 | 114.7 | H243 N409 | H243-K411 PolarHBondContact NE2-NZ 2.72Å; N409-K411 PolarHBondContact O-N 2.99Å |
| 412 | H | 45.1 | Very low | 59.2 | Low | 111 Ų | 111 | 71.6 Ų | 71.6 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -108.8 | 3.8 | -176 | -65.2 | -58.3 | 0 | 0 | 0 | 115.1 | T410 H414 Y449 | T410-H412 PolarHBondContact O-N 3.32Å; H412-H414 PolarHBondContact O-N 3.43Å; H412-Y449 HydrophobicContact CB-CD1 4.3Å; H412-Y449 HydrophobicContact CB-CD2 4.46Å; H412-Y449 HydrophobicContact CB-CG 4.12Å |
| 413 | Q | 52.7 | Low | 62.1 | Low | 106 Ų | 106 | 68.6 Ų | 68.6 | 50% | 0.495 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -5 | -172.6 | -76.2 | -179.2 | -9.5 | 0 | 0 | 115.2 | ||
| 414 | H | 70.9 | Confident | 65 | Low | 49 Ų | 49 | 65.5 Ų | 65.5 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -22.4 | -174.5 | -64.8 | -40.2 | 0 | 0 | 0 | 114.9 | R391 H412 | R391-H414 HydrophobicContact CG-CB 4.23Å; R391-H414 PolarHBondContact NH2-NE2 2.95Å; H412-H414 PolarHBondContact O-N 3.43Å |
| 415 | Y | 87.3 | Confident | 67.6 | Low | 25 Ų | 25 | 60.9 Ų | 60.9 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -128.8 | 151.6 | -174.9 | -67.9 | -54.9 | 0 | 0 | 0 | 110.9 | E173 Q389 R391 Y449 R451 | E173-Y415 WeakPolarHBondContact OE1-CE2 3.4Å; E173-Y415 PolarHBondContact OE1-OH 2.81Å; E173-Y415 PolarHBondContact OE2-OH 3.23Å; Q389-Y415 HydrophobicContact CG-CD1 3.71Å; Q389-Y415 HydrophobicContact CG-CE1 4.32Å; Q389-Y415 HydrophobicContact CG-CG 4.42Å; R391-Y415 HydrophobicContact CB-CE1 3.78Å; R391-Y415 HydrophobicContact CG-CE1 4.16Å; Y415-Y449 WeakPolarHBondContact CB-O 3.31Å; Y415-Y449 WeakPolarHBondContact O-CD1 3.5Å; Y415-R451 HydrophobicContact CE1-CB 3.98Å; Y415-R451 HydrophobicContact CE1-CG 3.88Å; Y415-R451 HydrophobicContact CE2-CB 3.93Å; Y415-R451 WeakPolarHBondContact OH-CD 3.38Å |
| 416 | Q | 90.9 | Very high | 69.9 | Low | 34 Ų | 34 | 59.4 Ų | 59.4 | 16% | 0.159 | 31% | 0.308 | C | S | . | . | trans | -81.7 | 148.4 | 169.2 | -58.8 | -55.6 | -52.4 | 0 | 0 | 108.7 | Q389 I418 T470 A475 A477 | Q389-Q416 PolarHBondContact NE2-O 3.06Å; Q389-Q416 PolarHBondContact OE1-O 2.8Å; Q416-I418 HydrophobicContact CB-CG2 4.23Å; Q416-I418 PolarHBondContact O-N 2.95Å; Q416-I418 VanDerWaalsContact O-N 3.14Å; Q416-T470 HydrophobicContact CB-CG2 3.85Å; Q416-T470 HydrophobicContact CG-CG2 4.29Å; Q416-A475 HydrophobicContact CG-CB 4.32Å; Q416-A475 VanDerWaalsContact OE1-CB 3.3Å; Q416-A477 HydrophobicContact CG-CB 4.09Å | ||
| 417 | A | 91.7 | Very high | 71.9 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 5% | 0.05 | 31% | 0.311 | C | S | . | . | trans | -67.9 | 113.9 | 168 | 0 | 0 | 0 | 0 | 0 | 108.5 | H447 S448 Y449 T470 Y471 | A417-H447 HydrophobicContact CB-CB 3.88Å; A417-S448 CarbonylContact C-O 3.55Å; A417-S448 VanDerWaalsContact CA-O 3.3Å; A417-S448 WeakPolarHBondContact CA-O 3.19Å; A417-Y449 HydrophobicContact CB-CD1 3.88Å; A417-Y449 HydrophobicContact CB-CD2 4.25Å; A417-Y449 HydrophobicContact CB-CE1 3.63Å; A417-Y449 HydrophobicContact CB-CE2 4.02Å; A417-Y449 HydrophobicContact CB-CG 4.18Å; A417-T470 CarbonylContact O-C 3.49Å; A417-T470 VanDerWaalsContact O-CA 3.25Å; A417-T470 WeakPolarHBondContact O-CA 3.16Å; A417-Y471 PolarHBondContact O-N 3.49Å | ||
| 418 | I | 94.9 | Very high | 73.3 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 149.3 | -173.5 | 58.8 | 168 | 0 | 0 | 0 | 112 | W352 L387 Q389 Q416 H447 S448 V453 S469 T470 | W352-I418 HydrophobicContact CH2-CB 4.16Å; W352-I418 HydrophobicContact CH2-CG2 3.41Å; W352-I418 VanDerWaalsContact CH2-CG2 3.41Å; W352-I418 HydrophobicContact CZ2-CG2 4.21Å; W352-I418 HydrophobicContact CZ3-CG2 3.77Å; L387-I418 HydrophobicContact CD2-CB 4.23Å; L387-I418 HydrophobicContact CD2-CD1 4.21Å; L387-I418 HydrophobicContact CG-CD1 4.13Å; Q389-I418 HydrophobicContact CB-CD1 4.16Å; Q389-I418 HydrophobicContact CG-CD1 3.94Å; Q416-I418 HydrophobicContact CB-CG2 4.23Å; Q416-I418 PolarHBondContact O-N 2.95Å; Q416-I418 VanDerWaalsContact O-N 3.14Å; I418-H447 VanDerWaalsContact O-CA 3.31Å; I418-H447 WeakPolarHBondContact O-CA 3.32Å; I418-S448 PolarHBondContact N-O 3.38Å; I418-S448 PolarHBondContact O-N 3.02Å; I418-V453 HydrophobicContact CD1-CG1 4.33Å; I418-V453 HydrophobicContact CD1-CG2 4.07Å; I418-V453 HydrophobicContact CG1-CG1 4.05Å; I418-V453 HydrophobicContact CG1-CG2 4.18Å; I418-S469 CarbonylContact C-O 3.54Å; I418-S469 WeakPolarHBondContact CA-O 3.49Å; I418-T470 HydrophobicContact CG2-CG2 4.33Å |
| 419 | A | 93.9 | Very high | 74.8 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 159 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T444 H447 P468 S469 | A419-T444 WeakPolarHBondContact CA-OG1 3.39Å; A419-T444 WeakPolarHBondContact CB-OG1 3.42Å; A419-H447 HydrophobicContact CB-CB 4.39Å; A419-H447 VanDerWaalsContact CB-CD2 3.44Å; A419-H447 WeakPolarHBondContact CB-CD2 3.3Å; A419-H447 WeakPolarHBondContact CB-NE2 3.31Å; A419-P468 WeakPolarHBondContact O-CA 2.94Å; A419-S469 PolarHBondContact N-O 3.16Å; A419-S469 PolarHBondContact O-N 3.08Å |
| 420 | L | 95.7 | Very high | 76.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.8 | 176.1 | -179.7 | 68 | 0 | 0 | 0 | 110.2 | V385 L387 S443 T444 L455 L466 P468 I481 | V385-L420 HydrophobicContact CB-CD2 3.84Å; V385-L420 HydrophobicContact CG1-CD2 3.46Å; V385-L420 VanDerWaalsContact CG1-CD2 3.46Å; L387-L420 HydrophobicContact CD2-CB 4.37Å; L420-S443 CarbonylContact O-C 3.59Å; L420-S443 WeakPolarHBondContact O-CA 3.42Å; L420-S443 WeakPolarHBondContact O-CB 3.1Å; L420-T444 HydrophobicContact CB-CG2 3.97Å; L420-T444 PolarHBondContact N-OG1 3.04Å; L420-T444 PolarHBondContact O-N 2.66Å; L420-T444 PolarHBondContact O-OG1 3.36Å; L420-L455 HydrophobicContact CD2-CB 4.22Å; L420-L455 HydrophobicContact CD2-CD2 4.35Å; L420-L466 HydrophobicContact CD1-CB 4.32Å; L420-P468 HydrophobicContact CD1-CB 4.18Å; L420-I481 HydrophobicContact CD1-CD1 4.26Å |
| 421 | H | 94.6 | Very high | 78.5 | Confident | 16 Ų | 16 | 62 Ų | 62 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.8 | 177 | -55.7 | 88.5 | 0 | 0 | 0 | 111.1 | R362 Y367 W423 P440 S443 L466 I467 | R362-H421 WeakPolarHBondContact CD-NE2 3.17Å; Y367-H421 WeakPolarHBondContact OH-CB 3.25Å; Y367-H421 PolarHBondContact OH-ND1 2.77Å; H421-W423 HydrophobicContact CB-CE3 4.24Å; H421-W423 HydrophobicContact CB-CH2 3.53Å; H421-W423 HydrophobicContact CB-CZ3 3.29Å; H421-P440 HydrophobicContact CB-CB 4.34Å; H421-S443 VanDerWaalsContact CD2-CB 3.49Å; H421-S443 WeakPolarHBondContact CD2-CB 3.24Å; H421-L466 WeakPolarHBondContact O-CA 3.5Å; H421-I467 PolarHBondContact N-O 2.75Å; H421-I467 VanDerWaalsContact N-O 3.08Å; H421-I467 PolarHBondContact O-N 3.4Å |
| 422 | M | 94.9 | Very high | 80.2 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.7 | -175.6 | -175.6 | -170.6 | -67.6 | 0 | 0 | 111 | L375 V385 P440 C441 A442 L455 L459 Y464 L465 L466 | L375-M422 HydrophobicContact CD2-CE 4.44Å; V385-M422 HydrophobicContact CG2-CE 3.83Å; M422-P440 CarbonylContact O-C 3.49Å; M422-P440 WeakPolarHBondContact O-CA 3.39Å; M422-P440 VanDerWaalsContact O-CB 3.24Å; M422-P440 WeakPolarHBondContact O-CB 3.39Å; M422-C441 PolarHBondContact O-N 3.05Å; M422-C441 PolarHBondContact O-SG 3.25Å; M422-A442 WeakPolarHBondContact CA-O 3.46Å; M422-A442 HydrophobicContact CB-CB 4.24Å; M422-A442 WeakPolarHBondContact CB-O 3.25Å; M422-A442 PolarHBondContact N-O 3.49Å; M422-A442 PolarHBondContact O-N 3.12Å; M422-A442 HydrophobicContact SD-CB 4.28Å; M422-L455 HydrophobicContact CB-CD2 4.12Å; M422-L455 HydrophobicContact CE-CD2 3.69Å; M422-L459 HydrophobicContact CE-CD1 4.13Å; M422-L459 HydrophobicContact SD-CD1 3.83Å; M422-L459 HydrophobicContact SD-CD2 4.04Å; M422-Y464 HydrophobicContact CG-CD1 3.99Å; M422-Y464 HydrophobicContact SD-CD1 3.81Å; M422-Y464 HydrophobicContact SD-CE1 4.47Å; M422-Y464 HydrophobicContact SD-CG 4.38Å; M422-L465 CarbonylContact C-O 3.51Å; M422-L465 VanDerWaalsContact CA-O 3.29Å; M422-L465 WeakPolarHBondContact CA-O 3.26Å; M422-L466 HydrophobicContact CB-CD2 3.92Å; M422-L466 HydrophobicContact CE-CD2 3.49Å; M422-L466 VanDerWaalsContact CE-CD2 3.49Å; M422-L466 HydrophobicContact CG-CD2 3.71Å; M422-L466 HydrophobicContact SD-CD2 4.36Å |
| 423 | W | 92.3 | Very high | 81.7 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 137.5 | 172.3 | -71.4 | -103.2 | 0 | 0 | 0 | 111 | Y367 H421 M435 L436 K438 P439 P440 Y464 L465 I467 | Y367-W423 AromaticContact CE1-CH2 3.91Å; Y367-W423 HydrophobicContact CE1-CH2 3.91Å; Y367-W423 WeakPolarHBondContact OH-CH2 3.39Å; H421-W423 HydrophobicContact CB-CE3 4.24Å; H421-W423 HydrophobicContact CB-CH2 3.53Å; H421-W423 HydrophobicContact CB-CZ3 3.29Å; W423-M435 HydrophobicContact CB-CG 4.2Å; W423-M435 HydrophobicContact CB-SD 4.06Å; W423-M435 HydrophobicContact CG-CG 4.12Å; W423-M435 PolarHBondContact NE1-O 3.36Å; W423-L436 HydrophobicContact CH2-CD2 3.96Å; W423-L436 HydrophobicContact CZ2-CD2 3.92Å; W423-L436 HydrophobicContact CZ3-CD2 4.26Å; W423-K438 PolarHBondContact NE1-O 2.81Å; W423-P439 PolarHBondContact NE1-O 3.33Å; W423-P440 HydrophobicContact CD2-CB 4.14Å; W423-P440 HydrophobicContact CE3-CB 4.46Å; W423-P440 HydrophobicContact CH2-CB 4.41Å; W423-P440 HydrophobicContact CZ2-CB 4.15Å; W423-Y464 CarbonylContact O-C 3.53Å; W423-Y464 WeakPolarHBondContact O-CA 3.44Å; W423-L465 PolarHBondContact N-O 3.29Å; W423-L465 PolarHBondContact O-N 2.79Å; W423-I467 HydrophobicContact CE3-CD1 4.5Å; W423-I467 HydrophobicContact CH2-CD1 4.44Å; W423-I467 HydrophobicContact CZ3-CB 4.16Å; W423-I467 HydrophobicContact CZ3-CD1 3.92Å; W423-I467 HydrophobicContact CZ3-CG1 4.01Å |
| 424 | K | 92.6 | Very high | 82.8 | Confident | 88 Ų | 88 | 58 Ų | 58 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 132 | 167.9 | -169.1 | 173.4 | -173.7 | 173.6 | 0 | 110 | C441 Y464 | K424-C441 PolarHBondContact N-SG 2.93Å; K424-C441 VanDerWaalsContact N-SG 3.38Å; K424-Y464 HydrophobicContact CB-CD1 4.05Å; K424-Y464 HydrophobicContact CB-CE1 3.74Å; K424-Y464 HydrophobicContact CD-CE1 4.17Å; K424-Y464 HydrophobicContact CG-CD1 4.37Å; K424-Y464 HydrophobicContact CG-CE1 3.84Å |
| 425 | V | 87.8 | Confident | 83.3 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 103.5 | -178.8 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | W374 F430 M435 Y463 L465 L651 | W374-V425 HydrophobicContact CH2-CB 4.08Å; W374-V425 HydrophobicContact CH2-CG1 4.01Å; W374-V425 HydrophobicContact CH2-CG2 3.68Å; W374-V425 HydrophobicContact CZ3-CB 3.94Å; W374-V425 HydrophobicContact CZ3-CG1 4.36Å; W374-V425 HydrophobicContact CZ3-CG2 3.51Å; V425-F430 HydrophobicContact CG1-CD1 3.42Å; V425-F430 VanDerWaalsContact CG1-CD1 3.42Å; V425-F430 HydrophobicContact CG1-CE1 3.71Å; V425-F430 HydrophobicContact CG1-CG 4.05Å; V425-M435 HydrophobicContact CG2-CE 4.47Å; V425-M435 HydrophobicContact CG2-SD 3.65Å; V425-Y463 PolarHBondContact N-O 2.99Å; V425-L465 HydrophobicContact CG2-CB 4.23Å; V425-L651 HydrophobicContact CB-CD1 4.42Å; V425-L651 HydrophobicContact CG1-CD1 3.94Å |
| 426 | E | 79.3 | Confident | 83.1 | Confident | 160 Ų | 160 | 56.1 Ų | 56.1 | 75% | 0.748 | 26% | 0.258 | S | S | * | . | trans | -80.2 | -29.6 | -174.4 | -62.3 | 174.9 | 169 | 0 | 0 | 113.3 | ||||
| 427 | K | 73.8 | Confident | 82.6 | Confident | 145 Ų | 145 | 61.2 Ų | 61.2 | 63% | 0.63 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -112.1 | 136.8 | -171.8 | -63.1 | -173.5 | -178.1 | -175.7 | 0 | 110.6 | R429 | K427-R429 VanDerWaalsContact CB-O 3.26Å; K427-R429 WeakPolarHBondContact CB-O 3.47Å; K427-R429 PolarHBondContact O-N 3.34Å; K427-R429 VanDerWaalsContact O-N 3.1Å |
| 428 | K | 61.7 | Low | 82.2 | Confident | 167 Ų | 167 | 66.9 Ų | 66.9 | 73% | 0.726 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -56.4 | -27 | 173.2 | -78 | -175 | 177.6 | 179 | 0 | 113.2 | K650 L651 | K428-K650 VanDerWaalsContact O-CA 3.31Å; K428-K650 WeakPolarHBondContact O-CA 3.47Å; K428-L651 HydrophobicContact CG-CB 4.49Å; K428-L651 HydrophobicContact CG-CD2 4.24Å; K428-L651 PolarHBondContact O-N 3.34Å |
| 429 | R | 60.7 | Low | 81.7 | Confident | 143 Ų | 143 | 71.9 Ų | 71.9 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.6 | 171.4 | -61.2 | -174.7 | -163.2 | -172.1 | 5.9 | 109.4 | K427 E649 K650 | K427-R429 VanDerWaalsContact CB-O 3.26Å; K427-R429 WeakPolarHBondContact CB-O 3.47Å; K427-R429 PolarHBondContact O-N 3.34Å; K427-R429 VanDerWaalsContact O-N 3.1Å; R429-E649 VanDerWaalsContact CA-O 3.31Å; R429-E649 WeakPolarHBondContact CA-O 3.33Å; R429-K650 HydrophobicContact CG-CG 3.91Å |
| 430 | F | 69.6 | Low | 81.5 | Confident | 33 Ų | 33 | 73.3 Ų | 73.3 | 15% | 0.145 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 163.7 | 177.7 | 66.8 | -84.6 | 0 | 0 | 0 | 110.1 | W374 V425 L432 M435 E649 | W374-F430 AromaticContact CH2-CE1 3.49Å; W374-F430 HydrophobicContact CH2-CE1 3.49Å; W374-F430 VanDerWaalsContact CH2-CE1 3.49Å; W374-F430 AromaticContact CH2-CZ 3.62Å; W374-F430 HydrophobicContact CH2-CZ 3.62Å; W374-F430 AromaticContact CZ2-CE1 3.67Å; W374-F430 HydrophobicContact CZ2-CE1 3.67Å; W374-F430 AromaticContact CZ2-CZ 3.68Å; W374-F430 HydrophobicContact CZ2-CZ 3.68Å; V425-F430 HydrophobicContact CG1-CD1 3.42Å; V425-F430 VanDerWaalsContact CG1-CD1 3.42Å; V425-F430 HydrophobicContact CG1-CE1 3.71Å; V425-F430 HydrophobicContact CG1-CG 4.05Å; F430-L432 HydrophobicContact CE2-CB 4.46Å; F430-L432 HydrophobicContact CE2-CD1 4.49Å; F430-M435 HydrophobicContact CD2-CB 4.41Å; F430-M435 HydrophobicContact CD2-CE 3.45Å; F430-M435 VanDerWaalsContact CD2-CE 3.45Å; F430-M435 HydrophobicContact CD2-SD 4.01Å; F430-M435 HydrophobicContact CE2-CE 3.09Å; F430-M435 HydrophobicContact CE2-SD 4.14Å; F430-M435 HydrophobicContact CZ-CE 3.92Å; F430-E649 VanDerWaalsContact CE2-OE2 3.26Å; F430-E649 WeakPolarHBondContact CE2-OE2 3.37Å; F430-E649 HydrophobicContact CZ-CB 4.45Å; F430-E649 WeakPolarHBondContact CZ-OE2 3.26Å |
| 431 | S | 77.2 | Confident | 81.3 | Confident | 44 Ų | 44 | 76.8 Ų | 76.8 | 31% | 0.308 | 38% | 0.375 | S | S | . | . | trans | -99.9 | 120.6 | 171.1 | 158.5 | 0 | 0 | 0 | 0 | 107.4 | S433 R434 M435 | S431-S433 PolarHBondContact O-N 2.93Å; S431-S433 PolarHBondContact OG-OG 2.86Å; S431-S433 VanDerWaalsContact OG-OG 3.07Å; S431-R434 PolarHBondContact O-N 3.38Å; S431-R434 PolarHBondContact OG-N 3.11Å; S431-M435 PolarHBondContact O-N 3.08Å | ||
| 432 | L | 77.6 | Confident | 81.1 | Confident | 23 Ų | 23 | 76.5 Ų | 76.5 | 12% | 0.12 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -55.9 | -50.9 | 179.2 | 179.3 | 66.5 | 0 | 0 | 0 | 110.9 | K372 F430 R434 M435 L436 L465 | K372-L432 HydrophobicContact CD-CD1 4.34Å; K372-L432 HydrophobicContact CD-CD2 4.26Å; K372-L432 VanDerWaalsContact CE-CD2 3.44Å; F430-L432 HydrophobicContact CE2-CB 4.46Å; F430-L432 HydrophobicContact CE2-CD1 4.49Å; L432-R434 VanDerWaalsContact C-N 3.34Å; L432-R434 PolarHBondContact O-N 2.6Å; L432-M435 HydrophobicContact CD1-CE 3.83Å; L432-M435 WeakPolarHBondContact O-CB 3.47Å; L432-M435 PolarHBondContact O-N 3.4Å; L432-L436 HydrophobicContact CD1-CD1 4.02Å; L432-L436 HydrophobicContact CD1-CD2 4.12Å; L432-L436 HydrophobicContact CD1-CG 3.96Å; L432-L436 HydrophobicContact CD2-CD1 4.45Å; L432-L436 HydrophobicContact CG-CD1 3.92Å; L432-L436 HydrophobicContact CG-CG 4.16Å; L432-L436 WeakPolarHBondContact O-CG 3.35Å; L432-L436 PolarHBondContact O-N 3.34Å; L432-L465 HydrophobicContact CD1-CD2 3.82Å |
| 433 | S | 74.7 | Confident | 80.8 | Confident | 78 Ų | 78 | 78.7 Ų | 78.7 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -55.7 | -46.2 | 179 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | S431 M435 L436 N437 | S431-S433 PolarHBondContact O-N 2.93Å; S431-S433 PolarHBondContact OG-OG 2.86Å; S431-S433 VanDerWaalsContact OG-OG 3.07Å; S433-M435 VanDerWaalsContact C-N 3.3Å; S433-M435 PolarHBondContact O-N 2.87Å; S433-L436 PolarHBondContact O-N 2.8Å; S433-N437 PolarHBondContact O-N 2.98Å; S433-N437 VanDerWaalsContact O-N 3.12Å; S433-N437 PolarHBondContact O-OD1 3.4Å |
| 434 | R | 75.9 | Confident | 80.6 | Confident | 185 Ų | 185 | 78.9 Ų | 78.9 | 70% | 0.698 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.6 | -35.3 | 177.2 | -171.6 | -179.5 | -66.3 | 172.2 | -2 | 112.7 | S431 L432 | S431-R434 PolarHBondContact O-N 3.38Å; S431-R434 PolarHBondContact OG-N 3.11Å; L432-R434 VanDerWaalsContact C-N 3.34Å; L432-R434 PolarHBondContact O-N 2.6Å |
| 435 | M | 82.4 | Confident | 79.8 | Confident | 17 Ų | 17 | 80.4 Ų | 80.4 | 8% | 0.084 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -72.8 | -42.4 | 178 | 178.8 | 173.8 | 55.7 | 0 | 0 | 111.9 | W423 V425 F430 S431 L432 S433 N437 K438 L465 | W423-M435 HydrophobicContact CB-CG 4.2Å; W423-M435 HydrophobicContact CB-SD 4.06Å; W423-M435 HydrophobicContact CG-CG 4.12Å; W423-M435 PolarHBondContact NE1-O 3.36Å; V425-M435 HydrophobicContact CG2-CE 4.47Å; V425-M435 HydrophobicContact CG2-SD 3.65Å; F430-M435 HydrophobicContact CD2-CB 4.41Å; F430-M435 HydrophobicContact CD2-CE 3.45Å; F430-M435 VanDerWaalsContact CD2-CE 3.45Å; F430-M435 HydrophobicContact CD2-SD 4.01Å; F430-M435 HydrophobicContact CE2-CE 3.09Å; F430-M435 HydrophobicContact CE2-SD 4.14Å; F430-M435 HydrophobicContact CZ-CE 3.92Å; S431-M435 PolarHBondContact O-N 3.08Å; L432-M435 HydrophobicContact CD1-CE 3.83Å; L432-M435 WeakPolarHBondContact O-CB 3.47Å; L432-M435 PolarHBondContact O-N 3.4Å; S433-M435 VanDerWaalsContact C-N 3.3Å; S433-M435 PolarHBondContact O-N 2.87Å; M435-N437 PolarHBondContact O-N 2.98Å; M435-K438 WeakPolarHBondContact O-CB 3.36Å; M435-K438 PolarHBondContact O-N 2.93Å; M435-L465 HydrophobicContact CE-CB 4.48Å; M435-L465 HydrophobicContact CE-CD2 3.38Å |
| 436 | L | 83.6 | Confident | 79.5 | Confident | 18 Ų | 18 | 82.8 Ų | 82.8 | 9% | 0.094 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.5 | -27.5 | 178.4 | -62 | -175.7 | 0 | 0 | 0 | 112.4 | R362 Y367 W423 L432 S433 K438 I467 | R362-L436 PolarHBondContact NH2-O 3.23Å; R362-L436 VanDerWaalsContact NH2-O 3.14Å; Y367-L436 HydrophobicContact CD1-CD1 4.27Å; Y367-L436 HydrophobicContact CE1-CD2 4.32Å; W423-L436 HydrophobicContact CH2-CD2 3.96Å; W423-L436 HydrophobicContact CZ2-CD2 3.92Å; W423-L436 HydrophobicContact CZ3-CD2 4.26Å; L432-L436 HydrophobicContact CD1-CD1 4.02Å; L432-L436 HydrophobicContact CD1-CD2 4.12Å; L432-L436 HydrophobicContact CD1-CG 3.96Å; L432-L436 HydrophobicContact CD2-CD1 4.45Å; L432-L436 HydrophobicContact CG-CD1 3.92Å; L432-L436 HydrophobicContact CG-CG 4.16Å; L432-L436 WeakPolarHBondContact O-CG 3.35Å; L432-L436 PolarHBondContact O-N 3.34Å; S433-L436 PolarHBondContact O-N 2.8Å; L436-K438 PolarHBondContact O-N 3.28Å; L436-I467 HydrophobicContact CD2-CD1 3.46Å; L436-I467 VanDerWaalsContact CD2-CD1 3.46Å |
| 437 | N | 80.6 | Confident | 79.9 | Confident | 141 Ų | 141 | 76.8 Ų | 76.8 | 75% | 0.754 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -17.1 | 171.6 | -69.3 | -6.4 | 0 | 0 | 0 | 113.3 | S433 M435 | S433-N437 PolarHBondContact O-N 2.98Å; S433-N437 VanDerWaalsContact O-N 3.12Å; S433-N437 PolarHBondContact O-OD1 3.4Å; M435-N437 PolarHBondContact O-N 2.98Å |
| 438 | K | 82.6 | Confident | 80.5 | Confident | 125 Ų | 125 | 70.9 Ų | 70.9 | 54% | 0.543 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -82.1 | 150.3 | 171.1 | -63.4 | -173.8 | 176.4 | -170.2 | 0 | 110.2 | R362 W423 M435 L436 | R362-K438 PolarHBondContact NH2-O 3.06Å; R362-K438 VanDerWaalsContact NH2-O 3.12Å; W423-K438 PolarHBondContact NE1-O 2.81Å; M435-K438 WeakPolarHBondContact O-CB 3.36Å; M435-K438 PolarHBondContact O-N 2.93Å; L436-K438 PolarHBondContact O-N 3.28Å |
| 439 | P | 84.1 | Confident | 81.7 | Confident | 105 Ų | 105 | 68 Ų | 68 | 68% | 0.682 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -58 | 147 | 169.3 | 25.6 | -33.7 | 0 | 0 | 0 | 110.1 | W423 | W423-P439 PolarHBondContact NE1-O 3.33Š|
| 440 | P | 89.8 | Confident | 83 | Confident | 31 Ų | 31 | 63.8 Ų | 63.8 | 20% | 0.201 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 148.9 | 176.1 | 32 | -24.8 | 0 | 0 | 0 | 108.7 | R362 H421 M422 W423 A442 | R362-P440 VanDerWaalsContact NH1-CG 3.35Å; H421-P440 HydrophobicContact CB-CB 4.34Å; M422-P440 CarbonylContact O-C 3.49Å; M422-P440 WeakPolarHBondContact O-CA 3.39Å; M422-P440 VanDerWaalsContact O-CB 3.24Å; M422-P440 WeakPolarHBondContact O-CB 3.39Å; W423-P440 HydrophobicContact CD2-CB 4.14Å; W423-P440 HydrophobicContact CE3-CB 4.46Å; W423-P440 HydrophobicContact CH2-CB 4.41Å; W423-P440 HydrophobicContact CZ2-CB 4.15Å; P440-A442 PolarHBondContact O-N 3.44Å |
| 441 | C | 91.1 | Very high | 84.1 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 50% | 0.5 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -72.2 | -22.4 | 173.3 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | M422 K424 | M422-C441 PolarHBondContact O-N 3.05Å; M422-C441 PolarHBondContact O-SG 3.25Å; K424-C441 PolarHBondContact N-SG 2.93Å; K424-C441 VanDerWaalsContact N-SG 3.38Å |
| 442 | A | 90 | Very high | 84.8 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 145.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | M422 P440 L455 R457 | M422-A442 WeakPolarHBondContact CA-O 3.46Å; M422-A442 HydrophobicContact CB-CB 4.24Å; M422-A442 WeakPolarHBondContact CB-O 3.25Å; M422-A442 PolarHBondContact N-O 3.49Å; M422-A442 PolarHBondContact O-N 3.12Å; M422-A442 HydrophobicContact SD-CB 4.28Å; P440-A442 PolarHBondContact O-N 3.44Å; A442-L455 HydrophobicContact CB-CD1 4.08Å; A442-L455 HydrophobicContact CB-CD2 3.94Å; A442-L455 HydrophobicContact CB-CG 4.39Å; A442-R457 HydrophobicContact CB-CG 3.88Å |
| 443 | S | 90.1 | Very high | 85.6 | Confident | 47 Ų | 47 | 61.3 Ų | 61.3 | 33% | 0.329 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 160.5 | 174 | 54.4 | 0 | 0 | 0 | 0 | 110.8 | L420 H421 L455 | L420-S443 CarbonylContact O-C 3.59Å; L420-S443 WeakPolarHBondContact O-CA 3.42Å; L420-S443 WeakPolarHBondContact O-CB 3.1Å; H421-S443 VanDerWaalsContact CD2-CB 3.49Å; H421-S443 WeakPolarHBondContact CD2-CB 3.24Å; S443-L455 WeakPolarHBondContact O-CD1 3.29Å |
| 444 | T | 87.5 | Confident | 86.5 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | trans | -63.1 | 152.7 | 163 | 54.9 | 0 | 0 | 0 | 0 | 109.4 | A419 L420 C446 V453 | A419-T444 WeakPolarHBondContact CA-OG1 3.39Å; A419-T444 WeakPolarHBondContact CB-OG1 3.42Å; L420-T444 HydrophobicContact CB-CG2 3.97Å; L420-T444 PolarHBondContact N-OG1 3.04Å; L420-T444 PolarHBondContact O-N 2.66Å; L420-T444 PolarHBondContact O-OG1 3.36Å; T444-C446 PolarHBondContact O-N 3.07Å; T444-V453 HydrophobicContact CG2-CB 3.95Å; T444-V453 HydrophobicContact CG2-CG2 3.9Å | ||
| 445 | H | 76.6 | Confident | 87.2 | Confident | 119 Ų | 119 | 50.4 Ų | 50.4 | 55% | 0.551 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -62.2 | -43.4 | -172.2 | -65.7 | -70.1 | 0 | 0 | 0 | 113.6 | ||
| 446 | C | 81.2 | Confident | 87.6 | Confident | 62 Ų | 62 | 50.4 Ų | 50.4 | 42% | 0.419 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -152.1 | 174.6 | 176.7 | 61.2 | 0 | 0 | 0 | 0 | 109.4 | T444 S448 | T444-C446 PolarHBondContact O-N 3.07Å; C446-S448 PolarHBondContact O-N 2.66Å |
| 447 | H | 88 | Confident | 87.9 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | trans | -72.3 | 116.9 | 164.5 | -67.6 | 77.3 | 0 | 0 | 0 | 109.2 | S361 A417 I418 A419 S469 T470 Y471 | S361-H447 VanDerWaalsContact CB-CE1 3.49Å; S361-H447 WeakPolarHBondContact CB-CE1 3.42Å; A417-H447 HydrophobicContact CB-CB 3.88Å; I418-H447 VanDerWaalsContact O-CA 3.31Å; I418-H447 WeakPolarHBondContact O-CA 3.32Å; A419-H447 HydrophobicContact CB-CB 4.39Å; A419-H447 VanDerWaalsContact CB-CD2 3.44Å; A419-H447 WeakPolarHBondContact CB-CD2 3.3Å; A419-H447 WeakPolarHBondContact CB-NE2 3.31Å; H447-S469 PolarHBondContact NE2-OG 2.86Å; H447-S469 VanDerWaalsContact NE2-OG 3.12Å; H447-T470 PolarHBondContact NE2-O 3.21Å; H447-Y471 HydrophobicContact CB-CD2 4.02Å; H447-Y471 HydrophobicContact CB-CG 4.32Å; H447-Y471 VanDerWaalsContact CD2-CA 3.44Å; H447-Y471 WeakPolarHBondContact CD2-CA 3.4Å; H447-Y471 PolarHBondContact CD2-N 3.2Å; H447-Y471 AromaticContact CG-CD2 3.87Å; H447-Y471 AromaticContact ND1-CD2 3.81Å | ||
| 448 | S | 85.6 | Confident | 88.5 | Confident | 20 Ų | 20 | 53.9 Ų | 53.9 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -110.8 | 144.7 | -179.1 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | A417 I418 C446 E450 | A417-S448 CarbonylContact C-O 3.55Å; A417-S448 VanDerWaalsContact CA-O 3.3Å; A417-S448 WeakPolarHBondContact CA-O 3.19Å; I418-S448 PolarHBondContact N-O 3.38Å; I418-S448 PolarHBondContact O-N 3.02Å; C446-S448 PolarHBondContact O-N 2.66Å; S448-E450 PolarHBondContact O-N 3.11Å; S448-E450 VanDerWaalsContact O-N 3.13Å; S448-E450 WeakPolarHBondContact OG-CG 3.09Å; S448-E450 PolarHBondContact OG-N 2.87Å; S448-E450 PolarHBondContact OG-OE1 2.81Å |
| 449 | Y | 88.1 | Confident | 89.1 | Confident | 106 Ų | 106 | 48.4 Ų | 48.4 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | trans | -78.1 | 21.7 | 173.5 | -68.1 | -78 | 0 | 0 | 0 | 112.9 | H412 Y415 A417 | H412-Y449 HydrophobicContact CB-CD1 4.3Å; H412-Y449 HydrophobicContact CB-CD2 4.46Å; H412-Y449 HydrophobicContact CB-CG 4.12Å; Y415-Y449 WeakPolarHBondContact CB-O 3.31Å; Y415-Y449 WeakPolarHBondContact O-CD1 3.5Å; A417-Y449 HydrophobicContact CB-CD1 3.88Å; A417-Y449 HydrophobicContact CB-CD2 4.25Å; A417-Y449 HydrophobicContact CB-CE1 3.63Å; A417-Y449 HydrophobicContact CB-CE2 4.02Å; A417-Y449 HydrophobicContact CB-CG 4.18Å | ||
| 450 | E | 87.3 | Confident | 89.6 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -79 | 149.5 | 176.6 | -76.1 | 167.7 | -122.5 | 0 | 0 | 111.5 | Q389 S448 E452 | Q389-E450 PolarHBondContact NE2-O 3.36Å; S448-E450 PolarHBondContact O-N 3.11Å; S448-E450 VanDerWaalsContact O-N 3.13Å; S448-E450 WeakPolarHBondContact OG-CG 3.09Å; S448-E450 PolarHBondContact OG-N 2.87Å; S448-E450 PolarHBondContact OG-OE1 2.81Å; E450-E452 PolarHBondContact O-N 3.3Å |
| 451 | R | 91.6 | Very high | 89.8 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 9% | 0.087 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -58.6 | -33.3 | 172.3 | -174.9 | -176.6 | 171.5 | -165.1 | -8.6 | 111.8 | E173 D177 L388 Q389 Y415 | E173-R451 HydrophobicContact CG-CB 4.16Å; D177-R451 VanDerWaalsContact CG-NH1 3.31Å; D177-R451 IonicContact OD1-CZ 3.25Å; D177-R451 VanDerWaalsContact OD1-CZ 3.23Å; D177-R451 IonicContact OD1-NH1 3.97Å; D177-R451 PolarHBondContact OD1-NH1 2.68Å; D177-R451 IonicContact OD1-NH2 3.55Å; D177-R451 PolarHBondContact OD1-NH2 3.02Å; D177-R451 IonicContact OD2-NH1 2.73Å; D177-R451 PolarHBondContact OD2-NH1 2.79Å; D177-R451 IonicContact OD2-NH2 2.71Å; L388-R451 CarbonylContact C-O 3.5Å; L388-R451 WeakPolarHBondContact CA-O 3.38Å; Q389-R451 WeakPolarHBondContact CG-O 3.49Å; Q389-R451 PolarHBondContact N-O 2.85Å; Y415-R451 HydrophobicContact CE1-CB 3.98Å; Y415-R451 HydrophobicContact CE1-CG 3.88Å; Y415-R451 HydrophobicContact CE2-CB 3.93Å; Y415-R451 WeakPolarHBondContact OH-CD 3.38Å |
| 452 | E | 93.4 | Very high | 89.7 | Confident | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.065 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 135.6 | -177.5 | 174.4 | 158.7 | -111.3 | 0 | 0 | 111.3 | S386 L387 L388 E450 V454 R482 | S386-E452 WeakPolarHBondContact CB-OE1 3.08Å; S386-E452 PolarHBondContact OG-OE1 2.79Å; L387-E452 VanDerWaalsContact O-CA 3.31Å; L387-E452 WeakPolarHBondContact O-CA 3.22Å; L388-E452 HydrophobicContact CB-CB 4.37Å; L388-E452 HydrophobicContact CB-CG 4.44Å; L388-E452 HydrophobicContact CD1-CB 4.42Å; L388-E452 HydrophobicContact CG-CB 4.43Å; E450-E452 PolarHBondContact O-N 3.3Å; E452-V454 HydrophobicContact CG-CG2 4.16Å; E452-R482 IonicContact OE1-CZ 2.65Å; E452-R482 IonicContact OE1-NE 2.77Å; E452-R482 PolarHBondContact OE1-NE 2.86Å; E452-R482 IonicContact OE1-NH2 3.59Å; E452-R482 PolarHBondContact OE1-NH2 3.16Å; E452-R482 IonicContact OE2-NH2 3.87Å; E452-R482 PolarHBondContact OE2-NH2 3.26Å |
| 453 | V | 93.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 142.5 | 169.7 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | S386 L387 I418 T444 | S386-V453 WeakPolarHBondContact CA-O 3.43Å; L387-V453 HydrophobicContact CB-CG2 3.83Å; L387-V453 HydrophobicContact CD2-CG2 4.09Å; L387-V453 HydrophobicContact CG-CG2 4.34Å; L387-V453 PolarHBondContact N-O 3.34Å; L387-V453 PolarHBondContact O-N 3.07Å; I418-V453 HydrophobicContact CD1-CG1 4.33Å; I418-V453 HydrophobicContact CD1-CG2 4.07Å; I418-V453 HydrophobicContact CG1-CG1 4.05Å; I418-V453 HydrophobicContact CG1-CG2 4.18Å; T444-V453 HydrophobicContact CG2-CB 3.95Å; T444-V453 HydrophobicContact CG2-CG2 3.9Å |
| 454 | V | 93.4 | Very high | 90 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.2 | -171.7 | -171.5 | 0 | 0 | 0 | 0 | 110.9 | V182 E184 L384 E452 | V182-V454 HydrophobicContact CG1-CB 4.46Å; V182-V454 HydrophobicContact CG1-CG1 4.13Å; V182-V454 HydrophobicContact CG1-CG2 3.45Å; V182-V454 VanDerWaalsContact CG1-CG2 3.45Å; E184-V454 HydrophobicContact CG-CB 3.82Å; E184-V454 HydrophobicContact CG-CG1 4.34Å; E184-V454 HydrophobicContact CG-CG2 3.7Å; E184-V454 WeakPolarHBondContact OE1-CB 3.11Å; E184-V454 WeakPolarHBondContact OE1-CG1 3.23Å; L384-V454 HydrophobicContact CD1-CG1 3.91Å; L384-V454 HydrophobicContact CD2-CG1 3.79Å; L384-V454 HydrophobicContact CG-CG1 3.67Å; E452-V454 HydrophobicContact CG-CG2 4.16Å |
| 455 | L | 91.8 | Very high | 90.2 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 110.6 | 174.8 | -179.6 | 66.8 | 0 | 0 | 0 | 109.1 | L384 V385 L420 M422 A442 S443 | L384-L455 CarbonylContact C-O 3.48Å; L384-L455 WeakPolarHBondContact CA-O 3.44Å; V385-L455 PolarHBondContact N-O 3.22Å; V385-L455 PolarHBondContact O-N 3.07Å; L420-L455 HydrophobicContact CD2-CB 4.22Å; L420-L455 HydrophobicContact CD2-CD2 4.35Å; M422-L455 HydrophobicContact CB-CD2 4.12Å; M422-L455 HydrophobicContact CE-CD2 3.69Å; A442-L455 HydrophobicContact CB-CD1 4.08Å; A442-L455 HydrophobicContact CB-CD2 3.94Å; A442-L455 HydrophobicContact CB-CG 4.39Å; S443-L455 WeakPolarHBondContact O-CD1 3.29Å |
| 456 | C | 90.6 | Very high | 91.2 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 12% | 0.122 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.3 | 174.7 | -170 | 0 | 0 | 0 | 0 | 111.2 | Y337 E382 V383 L384 | Y337-C456 HydrophobicContact CD2-CB 4.04Å; Y337-C456 HydrophobicContact CE2-CB 3.65Å; E382-C456 PolarHBondContact OE1-SG 3.28Å; V383-C456 WeakPolarHBondContact O-CA 3.37Å; L384-C456 HydrophobicContact CB-CB 4.44Å; L384-C456 HydrophobicContact CD1-CB 4.47Å; L384-C456 HydrophobicContact CG-CB 4.42Å |
| 457 | R | 90.4 | Very high | 91.8 | Very high | 128 Ų | 128 | 38.6 Ų | 38.6 | 48% | 0.483 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 145.2 | 175.7 | -71.5 | -64.6 | 162.4 | 168 | -3.9 | 112.6 | V383 A442 L459 | V383-R457 PolarHBondContact N-O 3.12Å; V383-R457 PolarHBondContact O-N 3.09Å; A442-R457 HydrophobicContact CB-CG 3.88Å; R457-L459 HydrophobicContact CB-CD2 3.9Å; R457-L459 HydrophobicContact CB-CG 4.42Å; R457-L459 PolarHBondContact O-N 3.21Å |
| 458 | P | 92.6 | Very high | 92.3 | Very high | 103 Ų | 103 | 36.9 Ų | 36.9 | 67% | 0.669 | 19% | 0.186 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 125.6 | 158.8 | 30 | -31.8 | 0 | 0 | 0 | 108.7 | G381 | G381-P458 WeakPolarHBondContact O-CA 3.39Å |
| 459 | L | 93.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.5 | -179.9 | -62.1 | -173.2 | 0 | 0 | 0 | 110.3 | L375 V377 T380 G381 V383 M422 R457 Y464 | L375-L459 HydrophobicContact CD2-CD1 4.19Å; V377-L459 HydrophobicContact CG1-CB 4.43Å; V377-L459 HydrophobicContact CG2-CB 4.16Å; V377-L459 HydrophobicContact CG2-CD1 4.02Å; T380-L459 VanDerWaalsContact CA-O 3.32Å; T380-L459 WeakPolarHBondContact CA-O 3.48Å; G381-L459 PolarHBondContact N-O 3.4Å; G381-L459 VanDerWaalsContact N-O 3.12Å; G381-L459 PolarHBondContact O-N 2.87Å; V383-L459 HydrophobicContact CB-CD1 3.83Å; V383-L459 HydrophobicContact CB-CG 4.13Å; V383-L459 HydrophobicContact CG1-CD1 4.25Å; V383-L459 HydrophobicContact CG2-CB 4.1Å; V383-L459 HydrophobicContact CG2-CD1 3.86Å; V383-L459 HydrophobicContact CG2-CG 4.07Å; M422-L459 HydrophobicContact CE-CD1 4.13Å; M422-L459 HydrophobicContact SD-CD1 3.83Å; M422-L459 HydrophobicContact SD-CD2 4.04Å; R457-L459 HydrophobicContact CB-CD2 3.9Å; R457-L459 HydrophobicContact CB-CG 4.42Å; R457-L459 PolarHBondContact O-N 3.21Å; L459-Y464 HydrophobicContact CB-CE2 4.21Å; L459-Y464 HydrophobicContact CD1-CD1 4.26Å; L459-Y464 HydrophobicContact CD1-CD2 4.27Å; L459-Y464 HydrophobicContact CD1-CE1 4.19Å; L459-Y464 HydrophobicContact CD1-CE2 4.22Å; L459-Y464 HydrophobicContact CD1-CG 4.3Å; L459-Y464 HydrophobicContact CD2-CD1 4.46Å; L459-Y464 HydrophobicContact CD2-CE1 3.83Å; L459-Y464 HydrophobicContact CG-CE1 4.43Å |
| 460 | E | 95.4 | Very high | 93 | Very high | 101 Ų | 101 | 30.9 Ų | 30.9 | 47% | 0.472 | 16% | 0.16 | S | C | . | . | trans | -75.7 | 160 | 169.8 | -66.3 | -56.4 | 147.5 | 0 | 0 | 111.5 | T380 G462 Y464 | T380-E460 WeakPolarHBondContact CG2-OE1 3.36Å; T380-E460 PolarHBondContact OG1-OE2 3.42Å; E460-G462 PolarHBondContact O-N 2.77Å; E460-Y464 PolarHBondContact N-OH 2.57Å; E460-Y464 WeakPolarHBondContact O-CE2 3.42Å; E460-Y464 PolarHBondContact O-OH 2.84Å | ||
| 461 | P | 94 | Very high | 93 | Very high | 61 Ų | 61 | 34.1 Ų | 34.1 | 40% | 0.396 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -53.2 | 135.1 | 173.4 | -26.3 | 33.8 | 0 | 0 | 0 | 111.9 | V377 C378 T380 | V377-P461 WeakPolarHBondContact O-CA 3.41Å; C378-P461 WeakPolarHBondContact O-CB 3.3Å; T380-P461 VanDerWaalsContact OG1-CD 3.29Å; T380-P461 WeakPolarHBondContact OG1-CD 3.48Å |
| 462 | G | 89.3 | Confident | 92.8 | Very high | 20 Ų | 20 | 38.8 Ų | 38.8 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.4 | -163.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | R376 V377 E460 | R376-G462 WeakPolarHBondContact CA-O 3.29Å; V377-G462 PolarHBondContact N-O 3.37Å; V377-G462 PolarHBondContact O-N 3.49Å; E460-G462 PolarHBondContact O-N 2.77Å |
| 463 | Y | 91.5 | Very high | 92.3 | Very high | 63 Ų | 63 | 41.5 Ų | 41.5 | 25% | 0.247 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134.9 | -179.9 | -69.6 | -101 | 0 | 0 | 0 | 109.6 | R376 V425 L651 | R376-Y463 HydrophobicContact CB-CD1 4.14Å; R376-Y463 HydrophobicContact CB-CE1 4.02Å; R376-Y463 HydrophobicContact CG-CD1 4.25Å; R376-Y463 HydrophobicContact CG-CE1 3.86Å; R376-Y463 HydrophobicContact CG-CE2 4.37Å; V425-Y463 PolarHBondContact N-O 2.99Å; Y463-L651 HydrophobicContact CD1-CD1 4.09Å; Y463-L651 HydrophobicContact CD1-CD2 4.05Å; Y463-L651 HydrophobicContact CD1-CG 3.85Å; Y463-L651 HydrophobicContact CD2-CD1 4.24Å; Y463-L651 HydrophobicContact CD2-CD2 3.37Å; Y463-L651 HydrophobicContact CD2-CG 4.05Å; Y463-L651 HydrophobicContact CE1-CD2 4.07Å; Y463-L651 HydrophobicContact CE1-CG 4.07Å; Y463-L651 HydrophobicContact CE2-CD2 3.39Å; Y463-L651 HydrophobicContact CE2-CG 4.25Å; Y463-L651 HydrophobicContact CG-CD1 3.77Å; Y463-L651 HydrophobicContact CG-CD2 3.7Å; Y463-L651 HydrophobicContact CG-CG 3.82Å |
| 464 | Y | 93.7 | Very high | 91.8 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 134 | -176.4 | -65.3 | -96.2 | 0 | 0 | 0 | 109.1 | L375 V377 M422 W423 K424 L459 E460 | L375-Y464 PolarHBondContact N-O 3.3Å; L375-Y464 PolarHBondContact O-N 3.21Å; V377-Y464 HydrophobicContact CB-CD2 4.48Å; V377-Y464 HydrophobicContact CB-CE2 4.17Å; V377-Y464 HydrophobicContact CG2-CD2 3.84Å; V377-Y464 HydrophobicContact CG2-CE2 3.84Å; M422-Y464 HydrophobicContact CG-CD1 3.99Å; M422-Y464 HydrophobicContact SD-CD1 3.81Å; M422-Y464 HydrophobicContact SD-CE1 4.47Å; M422-Y464 HydrophobicContact SD-CG 4.38Å; W423-Y464 CarbonylContact O-C 3.53Å; W423-Y464 WeakPolarHBondContact O-CA 3.44Å; K424-Y464 HydrophobicContact CB-CD1 4.05Å; K424-Y464 HydrophobicContact CB-CE1 3.74Å; K424-Y464 HydrophobicContact CD-CE1 4.17Å; K424-Y464 HydrophobicContact CG-CD1 4.37Å; K424-Y464 HydrophobicContact CG-CE1 3.84Å; L459-Y464 HydrophobicContact CB-CE2 4.21Å; L459-Y464 HydrophobicContact CD1-CD1 4.26Å; L459-Y464 HydrophobicContact CD1-CD2 4.27Å; L459-Y464 HydrophobicContact CD1-CE1 4.19Å; L459-Y464 HydrophobicContact CD1-CE2 4.22Å; L459-Y464 HydrophobicContact CD1-CG 4.3Å; L459-Y464 HydrophobicContact CD2-CD1 4.46Å; L459-Y464 HydrophobicContact CD2-CE1 3.83Å; L459-Y464 HydrophobicContact CG-CE1 4.43Å; E460-Y464 PolarHBondContact N-OH 2.57Å; E460-Y464 WeakPolarHBondContact O-CE2 3.42Å; E460-Y464 PolarHBondContact O-OH 2.84Å |
| 465 | L | 93.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.3 | 173.4 | -174.9 | 69.5 | 0 | 0 | 0 | 109.1 | K372 W374 M422 W423 V425 L432 M435 I467 | K372-L465 HydrophobicContact CB-CD1 3.96Å; K372-L465 HydrophobicContact CG-CD1 4.11Å; K372-L465 HydrophobicContact CG-CD2 4.43Å; W374-L465 HydrophobicContact CZ3-CB 4.2Å; M422-L465 CarbonylContact C-O 3.51Å; M422-L465 VanDerWaalsContact CA-O 3.29Å; M422-L465 WeakPolarHBondContact CA-O 3.26Å; W423-L465 PolarHBondContact N-O 3.29Å; W423-L465 PolarHBondContact O-N 2.79Å; V425-L465 HydrophobicContact CG2-CB 4.23Å; L432-L465 HydrophobicContact CD1-CD2 3.82Å; M435-L465 HydrophobicContact CE-CB 4.48Å; M435-L465 HydrophobicContact CE-CD2 3.38Å; L465-I467 HydrophobicContact CD2-CD1 3.98Å; L465-I467 HydrophobicContact CD2-CG1 4.25Å; L465-I467 HydrophobicContact CG-CD1 4.47Å; L465-I467 HydrophobicContact CG-CG1 4.19Å |
| 466 | L | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.6 | 174.8 | -55.6 | 173.6 | 0 | 0 | 0 | 109.7 | K372 F373 L375 V385 L420 H421 M422 L491 | K372-L466 WeakPolarHBondContact CA-O 3.44Å; F373-L466 HydrophobicContact CB-CB 4.21Å; F373-L466 PolarHBondContact N-O 3.12Å; F373-L466 PolarHBondContact O-N 2.86Å; L375-L466 HydrophobicContact CB-CD1 3.93Å; L375-L466 HydrophobicContact CB-CG 4.22Å; L375-L466 HydrophobicContact CD2-CD1 4.36Å; V385-L466 HydrophobicContact CG1-CD1 4.02Å; V385-L466 HydrophobicContact CG2-CD2 4.46Å; L420-L466 HydrophobicContact CD1-CB 4.32Å; H421-L466 WeakPolarHBondContact O-CA 3.5Å; M422-L466 HydrophobicContact CB-CD2 3.92Å; M422-L466 HydrophobicContact CE-CD2 3.49Å; M422-L466 VanDerWaalsContact CE-CD2 3.49Å; M422-L466 HydrophobicContact CG-CD2 3.71Å; M422-L466 HydrophobicContact SD-CD2 4.36Å; L466-L491 HydrophobicContact CD1-CD1 4.05Å |
| 467 | I | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 100.4 | 176 | -54 | -171.5 | 0 | 0 | 0 | 109.2 | Y367 N370 K372 H421 W423 L436 L465 | Y367-I467 HydrophobicContact CE1-CD1 4.32Å; Y367-I467 HydrophobicContact CE1-CG2 4.3Å; Y367-I467 HydrophobicContact CE2-CG2 4.35Å; N370-I467 HydrophobicContact CB-CG2 3.64Å; K372-I467 HydrophobicContact CG-CD1 4Å; K372-I467 HydrophobicContact CG-CG1 3.88Å; H421-I467 PolarHBondContact N-O 2.75Å; H421-I467 VanDerWaalsContact N-O 3.08Å; H421-I467 PolarHBondContact O-N 3.4Å; W423-I467 HydrophobicContact CE3-CD1 4.5Å; W423-I467 HydrophobicContact CH2-CD1 4.44Å; W423-I467 HydrophobicContact CZ3-CB 4.16Å; W423-I467 HydrophobicContact CZ3-CD1 3.92Å; W423-I467 HydrophobicContact CZ3-CG1 4.01Å; L436-I467 HydrophobicContact CD2-CD1 3.46Å; L436-I467 VanDerWaalsContact CD2-CD1 3.46Å; L465-I467 HydrophobicContact CD2-CD1 3.98Å; L465-I467 HydrophobicContact CD2-CG1 4.25Å; L465-I467 HydrophobicContact CG-CD1 4.47Å; L465-I467 HydrophobicContact CG-CG1 4.19Å |
| 468 | P | 97.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 138.6 | 167.3 | 33.1 | -37.3 | 0 | 0 | 0 | 110.6 | W352 P371 F373 L387 A419 L420 F479 I481 | W352-P468 HydrophobicContact CZ2-CB 3.92Å; W352-P468 PolarHBondContact NE1-O 3.32Å; P371-P468 HydrophobicContact CB-CG 4.4Å; P371-P468 WeakPolarHBondContact O-CD 3.35Å; F373-P468 HydrophobicContact CD2-CG 4.18Å; F373-P468 HydrophobicContact CE2-CG 3.69Å; L387-P468 HydrophobicContact CD1-CB 3.56Å; L387-P468 HydrophobicContact CD1-CG 4.45Å; L387-P468 HydrophobicContact CD2-CB 3.54Å; L387-P468 HydrophobicContact CG-CB 4.18Å; A419-P468 WeakPolarHBondContact O-CA 2.94Å; L420-P468 HydrophobicContact CD1-CB 4.18Å; P468-F479 HydrophobicContact CB-CE2 4.12Å; P468-F479 HydrophobicContact CB-CZ 4.23Å; P468-F479 HydrophobicContact CG-CE1 4.47Å; P468-F479 HydrophobicContact CG-CE2 3.59Å; P468-F479 HydrophobicContact CG-CZ 3.53Å; P468-I481 HydrophobicContact CB-CD1 4.16Å; P468-I481 HydrophobicContact CG-CD1 3.75Å |
| 469 | S | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 147.6 | -177.2 | 59.6 | 0 | 0 | 0 | 0 | 111.9 | G360 I418 A419 H447 | G360-S469 WeakPolarHBondContact O-CB 3.41Å; I418-S469 CarbonylContact C-O 3.54Å; I418-S469 WeakPolarHBondContact CA-O 3.49Å; A419-S469 PolarHBondContact N-O 3.16Å; A419-S469 PolarHBondContact O-N 3.08Å; H447-S469 PolarHBondContact NE2-OG 2.86Å; H447-S469 VanDerWaalsContact NE2-OG 3.12Å |
| 470 | T | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 161.8 | 160.2 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | W352 G360 S361 Q416 A417 I418 H447 Q472 A475 | W352-T470 HydrophobicContact CD2-CG2 3.73Å; W352-T470 HydrophobicContact CE3-CG2 3.8Å; W352-T470 HydrophobicContact CG-CG2 4.1Å; W352-T470 HydrophobicContact CH2-CG2 4.48Å; W352-T470 HydrophobicContact CZ2-CG2 4.41Å; W352-T470 HydrophobicContact CZ3-CG2 4.19Å; G360-T470 CarbonylContact C-O 3.54Å; G360-T470 VanDerWaalsContact CA-O 3.31Å; G360-T470 WeakPolarHBondContact CA-O 3.48Å; S361-T470 PolarHBondContact N-O 3.46Å; Q416-T470 HydrophobicContact CB-CG2 3.85Å; Q416-T470 HydrophobicContact CG-CG2 4.29Å; A417-T470 CarbonylContact O-C 3.49Å; A417-T470 VanDerWaalsContact O-CA 3.25Å; A417-T470 WeakPolarHBondContact O-CA 3.16Å; I418-T470 HydrophobicContact CG2-CG2 4.33Å; H447-T470 PolarHBondContact NE2-O 3.21Å; T470-Q472 PolarHBondContact OG1-O 2.92Å; T470-A475 HydrophobicContact CG2-CB 3.94Å |
| 471 | Y | 87.6 | Confident | 91.7 | Very high | 124 Ų | 124 | 35.5 Ų | 35.5 | 49% | 0.486 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -69.7 | -54.8 | 175.2 | -177.9 | -103.6 | 0 | 0 | 0 | 110.7 | S361 A417 H447 | S361-Y471 WeakPolarHBondContact CB-O 3.44Å; S361-Y471 PolarHBondContact N-O 3.38Å; A417-Y471 PolarHBondContact O-N 3.49Å; H447-Y471 HydrophobicContact CB-CD2 4.02Å; H447-Y471 HydrophobicContact CB-CG 4.32Å; H447-Y471 VanDerWaalsContact CD2-CA 3.44Å; H447-Y471 WeakPolarHBondContact CD2-CA 3.4Å; H447-Y471 PolarHBondContact CD2-N 3.2Å; H447-Y471 AromaticContact CG-CD2 3.87Å; H447-Y471 AromaticContact ND1-CD2 3.81Å |
| 472 | Q | 86.7 | Confident | 91.9 | Very high | 120 Ų | 120 | 32.8 Ų | 32.8 | 56% | 0.561 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -81.4 | 135.6 | 179 | -64.9 | -174.9 | -12.8 | 0 | 0 | 111.1 | T470 A475 | T470-Q472 PolarHBondContact OG1-O 2.92Å; Q472-A475 HydrophobicContact CB-CB 4.39Å; Q472-A475 VanDerWaalsContact O-CB 3.3Å; Q472-A475 WeakPolarHBondContact O-CB 3.32Å |
| 473 | P | 82.8 | Confident | 92.2 | Very high | 72 Ų | 72 | 31.8 Ų | 31.8 | 47% | 0.468 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 149 | 169.2 | 27.2 | -32.5 | 0 | 0 | 0 | 111.6 | T364 A475 | T364-P473 HydrophobicContact CG2-CB 3.93Å; T364-P473 HydrophobicContact CG2-CG 3.86Å; P473-A475 PolarHBondContact O-N 3.12Å |
| 474 | G | 83.7 | Confident | 92.5 | Very high | 22 Ų | 22 | 30.1 Ų | 30.1 | 23% | 0.227 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | -3.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A358 E476 | A358-G474 PolarHBondContact O-N 2.95Å; G474-E476 PolarHBondContact O-N 3.29Å |
| 475 | A | 87.4 | Confident | 92.6 | Very high | 11 Ų | 11 | 29.8 Ų | 29.8 | 9% | 0.091 | 14% | 0.144 | C | C | . | . | trans | -68.1 | 121.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | W352 A358 Q416 T470 Q472 P473 | W352-A475 WeakPolarHBondContact CB-O 3.5Å; A358-A475 WeakPolarHBondContact CB-O 3.12Å; Q416-A475 HydrophobicContact CG-CB 4.32Å; Q416-A475 VanDerWaalsContact OE1-CB 3.3Å; T470-A475 HydrophobicContact CG2-CB 3.94Å; Q472-A475 HydrophobicContact CB-CB 4.39Å; Q472-A475 VanDerWaalsContact O-CB 3.3Å; Q472-A475 WeakPolarHBondContact O-CB 3.32Å; P473-A475 PolarHBondContact O-N 3.12Å | ||
| 476 | E | 87.8 | Confident | 92.8 | Very high | 87 Ų | 87 | 31.5 Ų | 31.5 | 41% | 0.407 | 16% | 0.156 | S | C | . | . | trans | -100.3 | 132.1 | -176 | -58.4 | -174.4 | 114 | 0 | 0 | 111.7 | W352 K354 K392 G474 | W352-E476 WeakPolarHBondContact O-CA 3.48Å; K354-E476 HydrophobicContact CB-CG 3.79Å; K354-E476 WeakPolarHBondContact CB-OE1 3.45Å; K354-E476 PolarHBondContact N-OE1 3.18Å; K392-E476 WeakPolarHBondContact CE-O 3.3Å; K392-E476 PolarHBondContact NZ-O 3.3Å; G474-E476 PolarHBondContact O-N 3.29Å | ||
| 477 | A | 90.1 | Very high | 92.6 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 10% | 0.099 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 155.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | R351 W352 Q416 | R351-A477 CarbonylContact C-O 3.44Å; R351-A477 WeakPolarHBondContact CA-O 3.34Å; W352-A477 HydrophobicContact CE3-CB 3.83Å; W352-A477 HydrophobicContact CZ3-CB 4.08Å; W352-A477 PolarHBondContact N-O 2.88Å; W352-A477 PolarHBondContact O-N 3.29Å; Q416-A477 HydrophobicContact CG-CB 4.09Å |
| 478 | R | 92.7 | Very high | 92.4 | Very high | 141 Ų | 141 | 33.9 Ų | 33.9 | 53% | 0.532 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 146.9 | 166.6 | -67.8 | 173.9 | 61.8 | 176.7 | -2.9 | 108.8 | R351 Q389 H390 | R351-R478 HydrophobicContact CB-CG 4.32Å; Q389-R478 WeakPolarHBondContact CA-O 3.27Å; H390-R478 HydrophobicContact CB-CB 4.04Å; H390-R478 PolarHBondContact N-O 3.14Å; H390-R478 PolarHBondContact ND1-O 3.44Å |
| 479 | F | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 164.2 | 177.1 | 68.4 | -93.7 | 0 | 0 | 0 | 112.6 | A349 S350 W352 P371 F373 L387 L388 P468 I481 | A349-F479 WeakPolarHBondContact CA-O 3.12Å; S350-F479 VanDerWaalsContact CB-CZ 3.46Å; S350-F479 PolarHBondContact N-O 3.11Å; S350-F479 PolarHBondContact O-N 3.3Å; S350-F479 VanDerWaalsContact O-O 3.09Å; W352-F479 AromaticContact CD2-CD1 3.63Å; W352-F479 HydrophobicContact CD2-CD1 3.63Å; W352-F479 AromaticContact CD2-CE1 3.7Å; W352-F479 HydrophobicContact CD2-CE1 3.7Å; W352-F479 AromaticContact CE2-CD1 3.78Å; W352-F479 AromaticContact CE2-CE1 3.64Å; W352-F479 AromaticContact CE3-CD1 3.47Å; W352-F479 HydrophobicContact CE3-CD1 3.47Å; W352-F479 VanDerWaalsContact CE3-CD1 3.47Å; W352-F479 HydrophobicContact CE3-CE1 4.06Å; W352-F479 HydrophobicContact CE3-CG 4.37Å; W352-F479 HydrophobicContact CG-CD1 4.44Å; W352-F479 HydrophobicContact CG-CE1 4.16Å; W352-F479 HydrophobicContact CH2-CB 3.99Å; W352-F479 AromaticContact CH2-CD1 3.69Å; W352-F479 HydrophobicContact CH2-CD1 3.69Å; W352-F479 HydrophobicContact CH2-CE1 4.32Å; W352-F479 AromaticContact CH2-CG 3.91Å; W352-F479 HydrophobicContact CH2-CG 3.91Å; W352-F479 AromaticContact CZ2-CD1 3.84Å; W352-F479 HydrophobicContact CZ2-CD1 3.84Å; W352-F479 AromaticContact CZ2-CE1 4Å; W352-F479 HydrophobicContact CZ2-CE1 4Å; W352-F479 HydrophobicContact CZ2-CG 4.29Å; W352-F479 HydrophobicContact CZ3-CB 3.83Å; W352-F479 AromaticContact CZ3-CD1 3.51Å; W352-F479 HydrophobicContact CZ3-CD1 3.51Å; W352-F479 HydrophobicContact CZ3-CE1 4.36Å; W352-F479 AromaticContact CZ3-CG 3.96Å; W352-F479 HydrophobicContact CZ3-CG 3.96Å; W352-F479 AromaticContact NE1-CE1 3.98Å; P371-F479 HydrophobicContact CB-CZ 3.96Å; P371-F479 HydrophobicContact CG-CE1 4.04Å; P371-F479 HydrophobicContact CG-CZ 3.88Å; F373-F479 AromaticContact CE2-CE2 3.97Å; F373-F479 HydrophobicContact CE2-CE2 3.97Å; F373-F479 HydrophobicContact CE2-CZ 4.07Å; F373-F479 AromaticContact CZ-CE2 3.9Å; F373-F479 HydrophobicContact CZ-CE2 3.9Å; F373-F479 HydrophobicContact CZ-CZ 4.09Å; L387-F479 HydrophobicContact CD1-CB 4.02Å; L387-F479 HydrophobicContact CD1-CD2 3.33Å; L387-F479 HydrophobicContact CD1-CE2 3.93Å; L387-F479 HydrophobicContact CD1-CG 3.83Å; L388-F479 CarbonylContact O-C 3.24Å; L388-F479 WeakPolarHBondContact O-CA 3.45Å; L388-F479 WeakPolarHBondContact O-CB 3.22Å; P468-F479 HydrophobicContact CB-CE2 4.12Å; P468-F479 HydrophobicContact CB-CZ 4.23Å; P468-F479 HydrophobicContact CG-CE1 4.47Å; P468-F479 HydrophobicContact CG-CE2 3.59Å; P468-F479 HydrophobicContact CG-CZ 3.53Å; F479-I481 HydrophobicContact CD2-CG1 4.38Å; F479-I481 HydrophobicContact CE2-CD1 4.35Å; F479-I481 HydrophobicContact CE2-CG1 4.19Å |
| 480 | L | 95.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.7 | 174.5 | -172.5 | 71.2 | 0 | 0 | 0 | 107.8 | W115 Q347 A349 L388 R482 | W115-L480 HydrophobicContact CH2-CD2 4.21Å; W115-L480 HydrophobicContact CZ2-CD2 4.24Å; Q347-L480 HydrophobicContact CB-CD1 4.1Å; Q347-L480 HydrophobicContact CB-CD2 4.49Å; Q347-L480 HydrophobicContact CB-CG 4.37Å; Q347-L480 HydrophobicContact CG-CD1 4.47Å; A349-L480 HydrophobicContact CB-CD1 4.14Å; L388-L480 HydrophobicContact CB-CB 4.45Å; L388-L480 PolarHBondContact N-O 3.1Å; L388-L480 PolarHBondContact O-N 3.23Å; L480-R482 HydrophobicContact CD2-CG 3.72Å; L480-R482 HydrophobicContact CG-CG 3.86Å |
| 481 | I | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130.2 | 163 | -86 | 179.5 | 0 | 0 | 0 | 107.8 | Q347 L348 F373 V385 S386 L387 L420 P468 F479 V483 L491 | Q347-I481 CarbonylContact C-O 3.56Å; Q347-I481 WeakPolarHBondContact CA-O 3.01Å; L348-I481 PolarHBondContact N-O 3.04Å; L348-I481 PolarHBondContact O-N 2.96Å; F373-I481 HydrophobicContact CD2-CD1 3.52Å; F373-I481 HydrophobicContact CE2-CD1 3.69Å; F373-I481 HydrophobicContact CG-CD1 4.07Å; F373-I481 HydrophobicContact CZ-CD1 4.34Å; V385-I481 HydrophobicContact CG1-CG2 4.28Å; S386-I481 CarbonylContact O-C 3.57Å; S386-I481 WeakPolarHBondContact O-CA 3.33Å; L387-I481 HydrophobicContact CD1-CG1 3.83Å; L420-I481 HydrophobicContact CD1-CD1 4.26Å; P468-I481 HydrophobicContact CB-CD1 4.16Å; P468-I481 HydrophobicContact CG-CD1 3.75Å; F479-I481 HydrophobicContact CD2-CG1 4.38Å; F479-I481 HydrophobicContact CE2-CD1 4.35Å; F479-I481 HydrophobicContact CE2-CG1 4.19Å; I481-V483 HydrophobicContact CG2-CG2 4.32Å; I481-L491 HydrophobicContact CG2-CD1 4.32Å; I481-L491 HydrophobicContact CG2-CD2 3.84Å |
| 482 | R | 97.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.7 | 174.5 | -52.8 | -172.8 | -69.7 | 172.2 | 4.4 | 108.9 | W115 G180 G181 H346 Q347 V385 S386 E452 L480 F484 | W115-R482 VanDerWaalsContact CZ2-NH1 3.33Å; G180-R482 PolarHBondContact O-NH1 2.97Å; G181-R482 VanDerWaalsContact O-CZ 3.31Å; G181-R482 PolarHBondContact O-NH1 2.94Å; G181-R482 PolarHBondContact O-NH2 2.72Å; H346-R482 CarbonylContact O-C 3.55Å; H346-R482 VanDerWaalsContact O-CA 3.31Å; H346-R482 WeakPolarHBondContact O-CA 3.38Å; Q347-R482 HydrophobicContact CB-CG 4.16Å; V385-R482 CarbonylContact C-O 3.43Å; V385-R482 VanDerWaalsContact CA-O 3.31Å; V385-R482 WeakPolarHBondContact CA-O 3.01Å; S386-R482 PolarHBondContact N-O 2.87Å; S386-R482 PolarHBondContact O-N 3.21Å; S386-R482 PolarHBondContact OG-NE 3.2Å; E452-R482 IonicContact OE1-CZ 2.65Å; E452-R482 IonicContact OE1-NE 2.77Å; E452-R482 PolarHBondContact OE1-NE 2.86Å; E452-R482 IonicContact OE1-NH2 3.59Å; E452-R482 PolarHBondContact OE1-NH2 3.16Å; E452-R482 IonicContact OE2-NH2 3.87Å; E452-R482 PolarHBondContact OE2-NH2 3.26Å; L480-R482 HydrophobicContact CD2-CG 3.72Å; L480-R482 HydrophobicContact CG-CG 3.86Å; R482-F484 HydrophobicContact CB-CD2 4.45Å; R482-F484 HydrophobicContact CB-CE2 3.66Å; R482-F484 HydrophobicContact CB-CZ 4.19Å |
| 483 | V | 97.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.3 | 175.9 | 176.7 | 0 | 0 | 0 | 0 | 107.8 | S345 H346 L375 V383 L384 V385 I481 L491 | S345-V483 CarbonylContact C-O 3.49Å; S345-V483 VanDerWaalsContact CA-O 3.23Å; S345-V483 WeakPolarHBondContact CA-O 3.37Å; H346-V483 HydrophobicContact CB-CB 4.41Å; H346-V483 PolarHBondContact N-O 3.22Å; H346-V483 PolarHBondContact O-N 3.36Å; L375-V483 HydrophobicContact CD1-CG1 3.9Å; L375-V483 HydrophobicContact CD1-CG2 4.38Å; V383-V483 HydrophobicContact CG1-CG1 3.84Å; L384-V483 CarbonylContact O-C 3.48Å; L384-V483 WeakPolarHBondContact O-CA 3.39Å; V385-V483 HydrophobicContact CG1-CG2 4.06Å; V385-V483 HydrophobicContact CG2-CG2 4.2Å; I481-V483 HydrophobicContact CG2-CG2 4.32Å; V483-L491 HydrophobicContact CG2-CD1 4.03Å; V483-L491 HydrophobicContact CG2-CD2 3.94Å; V483-L491 HydrophobicContact CG2-CG 4.41Å |
| 484 | F | 97.4 | Very high | 90.7 | Very high | 27 Ų | 27 | 29.6 Ų | 29.6 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.7 | 173.5 | -55.5 | -93.8 | 0 | 0 | 0 | 107.9 | V182 L333 L342 H344 L384 R482 | V182-F484 HydrophobicContact CG2-CD2 4.16Å; V182-F484 HydrophobicContact CG2-CE2 3.58Å; V182-F484 HydrophobicContact CG2-CZ 4.14Å; L333-F484 HydrophobicContact CB-CD1 4.11Å; L333-F484 HydrophobicContact CD2-CB 4.32Å; L333-F484 HydrophobicContact CD2-CD1 3.99Å; L333-F484 HydrophobicContact CD2-CD2 4.09Å; L333-F484 HydrophobicContact CD2-CE1 4.28Å; L333-F484 HydrophobicContact CD2-CE2 4.36Å; L333-F484 HydrophobicContact CD2-CG 3.88Å; L333-F484 HydrophobicContact CD2-CZ 4.45Å; L342-F484 HydrophobicContact CB-CB 4.01Å; L342-F484 HydrophobicContact CD1-CB 3.61Å; L342-F484 HydrophobicContact CG-CB 4.45Å; H344-F484 CarbonylContact O-C 3.21Å; H344-F484 VanDerWaalsContact O-CA 3.28Å; H344-F484 WeakPolarHBondContact O-CA 3.28Å; L384-F484 HydrophobicContact CB-CB 4.36Å; L384-F484 HydrophobicContact CD2-CD2 3.63Å; L384-F484 HydrophobicContact CD2-CE2 4.32Å; L384-F484 HydrophobicContact CD2-CG 4.5Å; L384-F484 PolarHBondContact N-O 2.98Å; L384-F484 PolarHBondContact O-N 3.22Å; R482-F484 HydrophobicContact CB-CD2 4.45Å; R482-F484 HydrophobicContact CB-CE2 3.66Å; R482-F484 HydrophobicContact CB-CZ 4.19Å |
| 485 | S | 96.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 147.8 | -177.5 | -174.4 | 0 | 0 | 0 | 0 | 113.3 | L342 T343 H344 E382 V383 S487 | L342-S485 CarbonylContact C-O 3.59Å; L342-S485 VanDerWaalsContact C-O 3.24Å; L342-S485 WeakPolarHBondContact CA-O 3.43Å; T343-S485 PolarHBondContact N-O 3.35Å; H344-S485 PolarHBondContact N-O 3.36Å; H344-S485 PolarHBondContact O-N 2.99Å; E382-S485 WeakPolarHBondContact O-CA 3.37Å; E382-S485 WeakPolarHBondContact O-CB 3.39Å; E382-S485 PolarHBondContact O-OG 2.97Å; V383-S485 WeakPolarHBondContact CG2-OG 3.42Å; S485-S487 VanDerWaalsContact C-N 3.25Å; S485-S487 WeakPolarHBondContact CB-O 3.17Å; S485-S487 PolarHBondContact OG-N 3.1Å; S485-S487 PolarHBondContact OG-O 2.93Å; S485-S487 VanDerWaalsContact OG-O 3.11Å |
| 486 | S | 96.1 | Very high | 87.1 | Confident | 37 Ų | 37 | 39.3 Ų | 39.3 | 26% | 0.259 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -75.2 | -13.9 | 168.9 | 70.8 | 0 | 0 | 0 | 0 | 112.9 | E382 | E382-S486 PolarHBondContact N-OG 3.43Å; E382-S486 PolarHBondContact O-N 3.17Å |
| 487 | S | 92 | Very high | 84.5 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -123.2 | 159.8 | 179.9 | 70.4 | 0 | 0 | 0 | 0 | 112.1 | H344 E379 S485 T489 | H344-S487 PolarHBondContact CD2-O 3.46Å; E379-S487 WeakPolarHBondContact O-CB 3.25Å; E379-S487 PolarHBondContact O-OG 2.86Å; S485-S487 VanDerWaalsContact C-N 3.25Å; S485-S487 WeakPolarHBondContact CB-O 3.17Å; S485-S487 PolarHBondContact OG-N 3.1Å; S485-S487 PolarHBondContact OG-O 2.93Å; S485-S487 VanDerWaalsContact OG-O 3.11Å; S487-T489 PolarHBondContact O-N 2.85Å |
| 488 | P | 91.3 | Very high | 81.5 | Confident | 46 Ų | 46 | 42.7 Ų | 42.7 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | trans | -60.6 | 125.3 | -179.9 | -23.5 | 33 | 0 | 0 | 0 | 111.6 | C378 | C378-P488 HydrophobicContact CB-CB 4.13Å; C378-P488 VanDerWaalsContact CB-O 3.29Å; C378-P488 WeakPolarHBondContact CB-O 3.08Å; C378-P488 PolarHBondContact N-O 3.5Å | ||
| 489 | T | 92.4 | Very high | 78.6 | Confident | 14 Ų | 14 | 40 Ų | 40 | 9% | 0.086 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 166.1 | 178.4 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | H346 L375 R376 V377 V383 S487 | H346-T489 PolarHBondContact CD2-OG1 3.4Å; H346-T489 PolarHBondContact NE2-O 3Å; H346-T489 PolarHBondContact NE2-OG1 2.89Å; L375-T489 HydrophobicContact CD1-CG2 4.25Å; R376-T489 CarbonylContact O-C 3.53Å; R376-T489 WeakPolarHBondContact O-CA 3.35Å; R376-T489 WeakPolarHBondContact O-CB 3.48Å; V377-T489 HydrophobicContact CG2-CG2 4.2Å; V383-T489 HydrophobicContact CG2-CG2 4.39Å; S487-T489 PolarHBondContact O-N 2.85Å |
| 490 | S | 86.9 | Confident | 75.5 | Confident | 52 Ų | 52 | 44.8 Ų | 44.8 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 139.3 | 163.6 | 79.6 | 0 | 0 | 0 | 0 | 110.7 | L375 R376 | L375-S490 CarbonylContact C-O 3.5Å; L375-S490 WeakPolarHBondContact CA-O 3.41Å; R376-S490 WeakPolarHBondContact CB-OG 3.3Å; R376-S490 PolarHBondContact N-O 2.92Å; R376-S490 PolarHBondContact O-N 3.22Å |
| 491 | L | 91.7 | Very high | 72.2 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 12% | 0.12 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.9 | -179.5 | -179 | 69 | 0 | 0 | 0 | 109.6 | H346 L348 F373 W374 L466 I481 V483 | H346-L491 HydrophobicContact CB-CB 3.73Å; H346-L491 HydrophobicContact CB-CD2 3.95Å; L348-L491 HydrophobicContact CB-CD2 4.26Å; L348-L491 HydrophobicContact CD1-CD2 3.89Å; L348-L491 HydrophobicContact CD1-CG 3.67Å; L348-L491 HydrophobicContact CG-CD2 3.83Å; L348-L491 HydrophobicContact CG-CG 4.16Å; F373-L491 HydrophobicContact CB-CD1 4.11Å; W374-L491 CarbonylContact O-C 3.58Å; W374-L491 WeakPolarHBondContact O-CA 3.46Å; L466-L491 HydrophobicContact CD1-CD1 4.05Å; I481-L491 HydrophobicContact CG2-CD1 4.32Å; I481-L491 HydrophobicContact CG2-CD2 3.84Å; V483-L491 HydrophobicContact CG2-CD1 4.03Å; V483-L491 HydrophobicContact CG2-CD2 3.94Å; V483-L491 HydrophobicContact CG2-CG 4.41Å |
| 492 | S | 84.1 | Confident | 69 | Low | 55 Ų | 55 | 53 Ų | 53 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 142 | 175.6 | 58.3 | 0 | 0 | 0 | 0 | 111.7 | F373 W374 | F373-S492 CarbonylContact C-O 3.52Å; F373-S492 VanDerWaalsContact CA-O 3.3Å; F373-S492 WeakPolarHBondContact CA-O 3.45Å; W374-S492 PolarHBondContact N-O 3.36Å; W374-S492 PolarHBondContact O-N 3.34Å |
| 493 | A | 80.8 | Confident | 65.8 | Low | 57 Ų | 57 | 61.4 Ų | 61.4 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 133.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | L348 F373 K495 | L348-A493 HydrophobicContact CD1-CB 4.38Å; F373-A493 HydrophobicContact CD1-CB 3.91Å; F373-A493 HydrophobicContact CE1-CB 3.89Å; A493-K495 PolarHBondContact O-N 3.42Å |
| 494 | L | 72.3 | Confident | 62.5 | Low | 24 Ų | 24 | 66 Ų | 66 | 13% | 0.126 | 41% | 0.408 | C | S | . | . | trans | -69.5 | 117.9 | 166.4 | -167.7 | 61.3 | 0 | 0 | 0 | 106.5 | K372 S496 | K372-L494 HydrophobicContact CB-CB 3.76Å; K372-L494 HydrophobicContact CB-CD2 3.83Å; K372-L494 HydrophobicContact CB-CG 4.44Å; K372-L494 HydrophobicContact CD-CD2 3.88Å; K372-L494 HydrophobicContact CG-CD2 4.46Å; K372-L494 WeakPolarHBondContact O-CB 3.42Å; K372-L494 PolarHBondContact O-N 2.7Å; L494-S496 VanDerWaalsContact C-N 3.29Å; L494-S496 PolarHBondContact O-N 3.22Å | ||
| 495 | K | 54 | Low | 59.6 | Low | 159 Ų | 159 | 70.6 Ų | 70.6 | 69% | 0.691 | 44% | 0.443 | S | S | * | . | trans | -62.6 | 98.9 | 170.2 | -65.9 | -176.6 | -177.9 | -178.9 | 0 | 106.7 | A493 | A493-K495 PolarHBondContact O-N 3.42Š| ||
| 496 | S | 40.8 | Very low | 56.8 | Low | 78 Ų | 78 | 73.9 Ų | 73.9 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 134.2 | 160.4 | 35.3 | 0 | 0 | 0 | 0 | 106.4 | L494 | L494-S496 VanDerWaalsContact C-N 3.29Å; L494-S496 PolarHBondContact O-N 3.22Å |
| 497 | P | 33.2 | Very low | 54.7 | Low | 88 Ų | 88 | 73.5 Ų | 73.5 | 57% | 0.571 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 147.9 | 166.2 | 20.5 | -29.1 | 0 | 0 | 0 | 108.2 | ||
| 498 | A | 27.9 | Very low | 52.9 | Low | 83 Ų | 83 | 79.8 Ų | 79.8 | 69% | 0.686 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -49.6 | 152.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S500 | A498-S500 PolarHBondContact O-N 3.01Š|
| 499 | P | 31.1 | Very low | 51.8 | Low | 83 Ų | 83 | 80.4 Ų | 80.4 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | trans | -45.5 | 111.3 | -166.4 | -24.3 | 30.8 | 0 | 0 | 0 | 113.7 | H356 L501 | H356-P499 VanDerWaalsContact CD2-CA 3.42Å; H356-P499 WeakPolarHBondContact CD2-CA 3.47Å; H356-P499 WeakPolarHBondContact CD2-CB 3.42Å; H356-P499 VanDerWaalsContact NE2-CA 3.3Å; H356-P499 WeakPolarHBondContact NE2-CA 3.37Å; P499-L501 PolarHBondContact O-N 2.94Å | ||
| 500 | S | 30.2 | Very low | 50.8 | Low | 102 Ų | 102 | 82.8 Ų | 82.8 | 71% | 0.713 | 50% | 0.498 | S | S | * | . | trans | -64.9 | 114.2 | 147.9 | 43.4 | 0 | 0 | 0 | 0 | 105.9 | A498 | A498-S500 PolarHBondContact O-N 3.01Š| ||
| 501 | L | 27.7 | Very low | 50.3 | Low | 98 Ų | 98 | 83.1 Ų | 83.1 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | trans | -55.7 | 157.5 | 174.2 | -79 | 155.6 | 0 | 0 | 0 | 110.3 | P499 L503 | P499-L501 PolarHBondContact O-N 2.94Å; L501-L503 PolarHBondContact O-N 2.82Å | ||
| 502 | P | 28.9 | Very low | 49.4 | Very low | 78 Ų | 78 | 83.9 Ų | 83.9 | 51% | 0.506 | 51% | 0.506 | S | S | . | . | trans | -52.4 | 138.2 | -170.6 | -9.5 | 9.3 | 0 | 0 | 0 | 112.2 | T504 | P502-T504 PolarHBondContact O-N 3.1Š| ||
| 503 | L | 29 | Very low | 49.2 | Very low | 181 Ų | 181 | 87.8 Ų | 87.8 | 95% | 0.948 | 52% | 0.516 | S | S | * | . | trans | -62.3 | 83 | 159.6 | -93.2 | 113.5 | 0 | 0 | 0 | 108.7 | L501 | L501-L503 PolarHBondContact O-N 2.82Š| ||
| 504 | T | 27.9 | Very low | 49.1 | Very low | 95 Ų | 95 | 87.5 Ų | 87.5 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | trans | -85.3 | 139.1 | 144.3 | 50.3 | 0 | 0 | 0 | 0 | 106.4 | P502 D506 | P502-T504 PolarHBondContact O-N 3.1Å; T504-D506 PolarHBondContact O-N 2.86Å | ||
| 505 | S | 36.5 | Very low | 49.8 | Very low | 124 Ų | 124 | 96 Ų | 96 | 87% | 0.867 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -62.5 | 51.5 | -169.3 | 55.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 506 | D | 39.2 | Very low | 51.5 | Low | 69 Ų | 69 | 89.3 Ų | 89.3 | 37% | 0.369 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -149 | 78.1 | -162.7 | -109.3 | -38.6 | 0 | 0 | 0 | 111.1 | T504 K639 | T504-D506 PolarHBondContact O-N 2.86Å; D506-K639 WeakPolarHBondContact O-CE 3.44Å; D506-K639 PolarHBondContact O-NZ 3.02Å; D506-K639 IonicContact OD1-NZ 2.79Å; D506-K639 PolarHBondContact OD1-NZ 3.45Å |
| 507 | G | 50.8 | Low | 54 | Low | 30 Ų | 30 | 87.6 Ų | 87.6 | 31% | 0.309 | 50% | 0.498 | S | S | . | . | trans | 59 | 147.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | W509 K639 | G507-W509 VanDerWaalsContact O-CD1 3.29Å; G507-K639 VanDerWaalsContact CA-CE 3.49Å | ||
| 508 | E | 54.9 | Low | 57 | Low | 136 Ų | 136 | 83.5 Ų | 83.5 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 147 | 173.1 | -73 | -70.1 | 154.3 | 0 | 0 | 110.1 | K639 I640 | E508-K639 CarbonylContact O-C 3.57Å; E508-K639 WeakPolarHBondContact O-CA 3.4Å; E508-I640 HydrophobicContact CB-CG1 4.31Å; E508-I640 PolarHBondContact N-O 3.01Å; E508-I640 PolarHBondContact O-N 2.86Å; E508-I640 VanDerWaalsContact O-O 3.08Å |
| 509 | W | 67.7 | Low | 60.2 | Low | 60 Ų | 60 | 82.6 Ų | 82.6 | 23% | 0.227 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.1 | 178.4 | -71.4 | 76.4 | 0 | 0 | 0 | 110.3 | G507 V553 N554 R556 A637 R638 K639 | G507-W509 VanDerWaalsContact O-CD1 3.29Å; W509-V553 HydrophobicContact CH2-CB 4.47Å; W509-V553 HydrophobicContact CH2-CG1 3.93Å; W509-V553 WeakPolarHBondContact CH2-O 3.34Å; W509-V553 VanDerWaalsContact CZ2-O 3.24Å; W509-V553 WeakPolarHBondContact CZ2-O 3.3Å; W509-N554 VanDerWaalsContact CH2-C 3.44Å; W509-N554 VanDerWaalsContact CZ3-C 3.41Å; W509-N554 WeakPolarHBondContact CZ3-O 3.45Å; W509-R556 HydrophobicContact CH2-CG 4.09Å; W509-R556 HydrophobicContact CZ3-CB 4.48Å; W509-R556 HydrophobicContact CZ3-CG 3.92Å; W509-A637 HydrophobicContact CE3-CB 3.9Å; W509-R638 CarbonylContact C-O 3.55Å; W509-R638 VanDerWaalsContact CA-O 3.3Å; W509-R638 WeakPolarHBondContact CA-O 3.42Å; W509-K639 HydrophobicContact CD2-CB 4.38Å; W509-K639 HydrophobicContact CE3-CB 4.49Å; W509-K639 HydrophobicContact CZ2-CB 4.41Å; W509-K639 HydrophobicContact CZ2-CD 4.46Å |
| 510 | E | 70.6 | Confident | 63.2 | Low | 63 Ų | 63 | 84.9 Ų | 84.9 | 29% | 0.294 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 121.5 | 170.7 | -174.6 | 178 | -152.4 | 0 | 0 | 109.8 | A637 R638 I640 | E510-A637 CarbonylContact O-C 3.33Å; E510-A637 VanDerWaalsContact O-CA 3.3Å; E510-A637 WeakPolarHBondContact O-CA 3.46Å; E510-R638 HydrophobicContact CB-CG 4.11Å; E510-R638 PolarHBondContact N-O 3.01Å; E510-R638 PolarHBondContact O-N 3.29Å; E510-R638 IonicContact OE1-NH2 3.71Å; E510-R638 IonicContact OE2-CZ 3.13Å; E510-R638 IonicContact OE2-NE 2.77Å; E510-R638 PolarHBondContact OE2-NE 3.45Å; E510-R638 IonicContact OE2-NH2 2.68Å; E510-R638 PolarHBondContact OE2-NH2 3.29Å; E510-I640 HydrophobicContact CB-CD1 3.75Å; E510-I640 HydrophobicContact CB-CG1 3.89Å; E510-I640 HydrophobicContact CB-CG2 3.87Å; E510-I640 HydrophobicContact CG-CD1 4.45Å |
| 511 | T | 77.3 | Confident | 65.8 | Low | 60 Ų | 60 | 82.7 Ų | 82.7 | 37% | 0.368 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.1 | 178.7 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | F513 S635 L636 A637 | T511-F513 HydrophobicContact CG2-CE1 4.21Å; T511-F513 HydrophobicContact CG2-CE2 3.9Å; T511-F513 HydrophobicContact CG2-CZ 3.71Å; T511-S635 WeakPolarHBondContact CG2-OG 3.25Å; T511-L636 CarbonylContact C-O 3.48Å; T511-L636 VanDerWaalsContact CA-O 3.29Å; T511-L636 WeakPolarHBondContact CA-O 3.21Å; T511-A637 HydrophobicContact CG2-CB 4.3Å; T511-A637 WeakPolarHBondContact OG1-CB 3.28Å |
| 512 | S | 72.8 | Confident | 68.8 | Low | 39 Ų | 39 | 86.4 Ų | 86.4 | 27% | 0.273 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 141.1 | 173 | -62.1 | 0 | 0 | 0 | 0 | 110.2 | L636 | S512-L636 PolarHBondContact N-O 3.02Å; S512-L636 PolarHBondContact O-N 3.2Å |
| 513 | F | 80.8 | Confident | 71.8 | Confident | 136 Ų | 136 | 84.2 Ų | 84.2 | 60% | 0.596 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.3 | 177.8 | -62.7 | -86.5 | 0 | 0 | 0 | 110.7 | T511 I633 I634 S635 | T511-F513 HydrophobicContact CG2-CE1 4.21Å; T511-F513 HydrophobicContact CG2-CE2 3.9Å; T511-F513 HydrophobicContact CG2-CZ 3.71Å; F513-I633 HydrophobicContact CD1-CG2 4.19Å; F513-I634 CarbonylContact C-O 3.56Å; F513-I634 VanDerWaalsContact CA-O 3.29Å; F513-I634 WeakPolarHBondContact CA-O 3.26Å; F513-S635 WeakPolarHBondContact CE1-OG 3.33Å |
| 514 | F | 77.6 | Confident | 74.9 | Confident | 52 Ų | 52 | 75.7 Ų | 75.7 | 23% | 0.228 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.6 | 174.3 | -54.9 | -81.8 | 0 | 0 | 0 | 109.4 | F539 I633 I634 L636 | F514-F539 HydrophobicContact CB-CD1 3.5Å; F514-F539 VanDerWaalsContact CB-CD1 3.5Å; F514-F539 HydrophobicContact CB-CE1 3.73Å; F514-F539 HydrophobicContact CB-CG 3.96Å; F514-F539 HydrophobicContact CB-CZ 4.38Å; F514-F539 HydrophobicContact CD1-CB 4.34Å; F514-F539 AromaticContact CD1-CD1 3.78Å; F514-F539 HydrophobicContact CD1-CD1 3.78Å; F514-F539 HydrophobicContact CD1-CG 4.4Å; F514-F539 HydrophobicContact CD2-CB 4.32Å; F514-F539 HydrophobicContact CG-CB 4.14Å; F514-F539 AromaticContact CG-CD1 3.75Å; F514-F539 HydrophobicContact CG-CD1 3.75Å; F514-F539 HydrophobicContact CG-CE1 4.45Å; F514-F539 HydrophobicContact CG-CG 4.09Å; F514-I633 CarbonylContact O-C 3.51Å; F514-I633 WeakPolarHBondContact O-CA 3.48Å; F514-I634 HydrophobicContact CB-CB 4.32Å; F514-I634 HydrophobicContact CD2-CB 4.47Å; F514-I634 HydrophobicContact CD2-CG2 4.36Å; F514-I634 PolarHBondContact N-O 3.5Å; F514-I634 PolarHBondContact O-N 2.9Å; F514-L636 HydrophobicContact CE2-CB 4.06Å; F514-L636 HydrophobicContact CE2-CD2 3.94Å |
| 515 | R | 87.9 | Confident | 78 | Confident | 203 Ų | 203 | 71.2 Ų | 71.2 | 77% | 0.766 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 133.7 | 172.9 | -65.2 | -177.2 | -179.9 | -101.8 | 0.1 | 108.7 | I633 | R515-I633 HydrophobicContact CG-CG1 4.36Å |
| 516 | G | 87.9 | Confident | 80.5 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 173.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F632 | G516-F632 PolarHBondContact N-O 2.69Å; G516-F632 PolarHBondContact O-N 2.8Å; G516-F632 VanDerWaalsContact O-O 3.13Å |
| 517 | S | 93.7 | Very high | 83.1 | Confident | 42 Ų | 42 | 62.1 Ų | 62.1 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 134.8 | 172.3 | 53 | 0 | 0 | 0 | 0 | 110.2 | T523 A630 | S517-T523 PolarHBondContact O-OG1 3.12Å; S517-A630 CarbonylContact C-O 3.5Å; S517-A630 VanDerWaalsContact CA-O 3.27Å; S517-A630 WeakPolarHBondContact CA-O 3.39Å |
| 518 | W | 96.6 | Very high | 85 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 1% | 0.011 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 125.4 | 161 | -57.7 | -67.4 | 0 | 0 | 0 | 107.7 | A524 L559 Q561 I571 P621 T623 C628 S629 A630 F632 | W518-A524 HydrophobicContact CB-CB 3.93Å; W518-L559 HydrophobicContact CH2-CD1 4.26Å; W518-L559 HydrophobicContact CH2-CD2 4.07Å; W518-L559 HydrophobicContact CH2-CG 4.46Å; W518-L559 HydrophobicContact CZ2-CD1 4.41Å; W518-L559 HydrophobicContact CZ2-CD2 4.09Å; W518-Q561 HydrophobicContact CZ3-CB 4.39Å; W518-I571 HydrophobicContact CH2-CB 4.25Å; W518-I571 HydrophobicContact CH2-CG2 3.56Å; W518-I571 HydrophobicContact CZ3-CG2 3.85Å; W518-P621 HydrophobicContact CZ2-CB 3.96Å; W518-P621 PolarHBondContact NE1-O 2.81Å; W518-T623 HydrophobicContact CD2-CG2 3.84Å; W518-T623 HydrophobicContact CE3-CG2 3.65Å; W518-T623 HydrophobicContact CG-CG2 4.4Å; W518-T623 HydrophobicContact CH2-CG2 4.32Å; W518-T623 HydrophobicContact CZ2-CG2 4.46Å; W518-T623 HydrophobicContact CZ3-CG2 3.91Å; W518-C628 VanDerWaalsContact CB-O 3.23Å; W518-C628 WeakPolarHBondContact CB-O 3.47Å; W518-S629 VanDerWaalsContact O-CA 3.25Å; W518-S629 WeakPolarHBondContact O-CA 3.2Å; W518-A630 HydrophobicContact CE3-CB 3.99Å; W518-A630 HydrophobicContact CZ3-CB 4.33Å; W518-A630 PolarHBondContact N-O 2.92Å; W518-A630 PolarHBondContact O-N 3.22Å; W518-A630 VanDerWaalsContact O-N 3.13Å; W518-F632 AromaticContact CD1-CE1 3.98Å; W518-F632 AromaticContact CD2-CD1 3.54Å; W518-F632 HydrophobicContact CD2-CD1 3.54Å; W518-F632 AromaticContact CD2-CE1 3.68Å; W518-F632 HydrophobicContact CD2-CE1 3.68Å; W518-F632 AromaticContact CE2-CD1 3.6Å; W518-F632 AromaticContact CE2-CE1 3.54Å; W518-F632 AromaticContact CE3-CD1 3.6Å; W518-F632 HydrophobicContact CE3-CD1 3.6Å; W518-F632 HydrophobicContact CE3-CE1 4.23Å; W518-F632 HydrophobicContact CE3-CG 4.49Å; W518-F632 HydrophobicContact CG-CD1 4.23Å; W518-F632 AromaticContact CG-CE1 3.98Å; W518-F632 HydrophobicContact CG-CE1 3.98Å; W518-F632 HydrophobicContact CH2-CB 4.06Å; W518-F632 AromaticContact CH2-CD1 3.81Å; W518-F632 HydrophobicContact CH2-CD1 3.81Å; W518-F632 HydrophobicContact CH2-CG 4.06Å; W518-F632 AromaticContact CZ2-CD1 3.76Å; W518-F632 HydrophobicContact CZ2-CD1 3.76Å; W518-F632 HydrophobicContact CZ2-CE1 4.01Å; W518-F632 HydrophobicContact CZ2-CG 4.22Å; W518-F632 HydrophobicContact CZ3-CB 4.02Å; W518-F632 AromaticContact CZ3-CD1 3.74Å; W518-F632 HydrophobicContact CZ3-CD1 3.74Å; W518-F632 HydrophobicContact CZ3-CG 4.2Å; W518-F632 AromaticContact NE1-CE1 3.7Å |
| 519 | I | 94.6 | Very high | 86.5 | Confident | 63 Ų | 63 | 64.8 Ų | 64.8 | 32% | 0.323 | 32% | 0.318 | S | S | . | . | trans | -123.7 | 123.6 | -179.3 | -56.3 | 171.7 | 0 | 0 | 0 | 106.7 | G521 R522 T523 A524 | I519-G521 PolarHBondContact O-N 2.95Å; I519-R522 HydrophobicContact CB-CB 4.28Å; I519-R522 HydrophobicContact CG2-CB 4.28Å; I519-R522 PolarHBondContact O-N 3.13Å; I519-R522 VanDerWaalsContact O-N 3.08Å; I519-T523 PolarHBondContact N-OG1 3.44Å; I519-T523 PolarHBondContact O-N 2.92Å; I519-A524 WeakPolarHBondContact O-CB 3.35Å; I519-A524 PolarHBondContact O-N 3.31Å | ||
| 520 | E | 93.8 | Very high | 87.5 | Confident | 131 Ų | 131 | 65.2 Ų | 65.2 | 61% | 0.612 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.9 | 133.6 | 174.4 | 177.3 | 170.7 | -172.9 | 0 | 0 | 112.3 | R522 D627 S629 | E520-R522 PolarHBondContact O-N 3.2Å; E520-D627 HydrophobicContact CB-CB 4.48Å; E520-D627 HydrophobicContact CG-CB 3.94Å; E520-S629 PolarHBondContact N-OG 2.95Å |
| 521 | G | 86.4 | Confident | 88.3 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 58% | 0.577 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 2.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | I519 D627 | I519-G521 PolarHBondContact O-N 2.95Å; G521-D627 PolarHBondContact N-OD1 3.07Å |
| 522 | R | 89.9 | Confident | 88.9 | Confident | 177 Ų | 177 | 67 Ų | 67 | 67% | 0.668 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.7 | -57.9 | -176.3 | -66.5 | -174.4 | 64.7 | -163.3 | -1.3 | 114 | I519 E520 | I519-R522 HydrophobicContact CB-CB 4.28Å; I519-R522 HydrophobicContact CG2-CB 4.28Å; I519-R522 PolarHBondContact O-N 3.13Å; I519-R522 VanDerWaalsContact O-N 3.08Å; E520-R522 PolarHBondContact O-N 3.2Å |
| 523 | T | 92.8 | Very high | 89.9 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -2.2 | -174 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | S517 I519 G525 Q535 N536 P537 | S517-T523 PolarHBondContact O-OG1 3.12Å; I519-T523 PolarHBondContact N-OG1 3.44Å; I519-T523 PolarHBondContact O-N 2.92Å; T523-G525 VanDerWaalsContact C-N 3.35Å; T523-G525 PolarHBondContact O-N 3.08Å; T523-Q535 WeakPolarHBondContact CA-O 3.45Å; T523-N536 WeakPolarHBondContact O-CA 3.45Å; T523-N536 PolarHBondContact O-OD1 3.1Å; T523-P537 WeakPolarHBondContact O-CD 3.27Å |
| 524 | A | 93.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 2% | 0.017 | 32% | 0.321 | C | S | . | . | trans | -88.2 | 69.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | W518 I519 G526 P626 D627 | W518-A524 HydrophobicContact CB-CB 3.93Å; I519-A524 WeakPolarHBondContact O-CB 3.35Å; I519-A524 PolarHBondContact O-N 3.31Å; A524-G526 VanDerWaalsContact C-N 3.3Å; A524-G526 PolarHBondContact O-N 3.39Å; A524-P626 CarbonylContact O-C 3.6Å; A524-P626 WeakPolarHBondContact O-CA 3.44Å; A524-D627 PolarHBondContact O-N 2.93Å | ||
| 525 | G | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | trans | -75.6 | -10.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | T523 S532 Y533 N536 | T523-G525 VanDerWaalsContact C-N 3.35Å; T523-G525 PolarHBondContact O-N 3.08Å; G525-S532 WeakPolarHBondContact CA-O 3.46Å; G525-S532 CarbonylContact O-C 3.54Å; G525-S532 VanDerWaalsContact O-C 3.27Å; G525-S532 PolarHBondContact O-OG 3.47Å; G525-Y533 PolarHBondContact O-N 2.84Å; G525-N536 PolarHBondContact N-OD1 3.15Å; G525-N536 VanDerWaalsContact N-OD1 3.12Å | ||
| 526 | G | 89.9 | Confident | 91.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | 74.4 | -173.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A524 Y533 N536 S622 T623 | A524-G526 VanDerWaalsContact C-N 3.3Å; A524-G526 PolarHBondContact O-N 3.39Å; G526-Y533 VanDerWaalsContact O-CD2 3.28Å; G526-Y533 WeakPolarHBondContact O-CD2 3.46Å; G526-N536 PolarHBondContact O-ND2 2.96Å; G526-S622 WeakPolarHBondContact O-CB 3.44Å; G526-T623 CarbonylContact C-O 3.27Å; G526-T623 WeakPolarHBondContact CA-O 3.15Å | ||
| 527 | S | 92.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -73.4 | 171.7 | 179.6 | 62.3 | 0 | 0 | 0 | 0 | 113.1 | N529 F530 T623 Y624 | S527-N529 PolarHBondContact O-N 3.4Å; S527-F530 PolarHBondContact O-N 2.79Å; S527-F530 WeakPolarHBondContact OG-CD2 3.44Å; S527-F530 WeakPolarHBondContact OG-CE2 3.32Å; S527-T623 PolarHBondContact N-O 2.93Å; S527-Y624 WeakPolarHBondContact CB-O 3.37Å; S527-Y624 PolarHBondContact N-O 3.44Å; S527-Y624 PolarHBondContact OG-O 2.69Å |
| 528 | R | 90.4 | Very high | 91.2 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 36% | 0.362 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -15.8 | -179.9 | -76.1 | -178 | 75.7 | -147.4 | 7.9 | 114.5 | F530 Y533 Y576 K591 D592 | R528-F530 PolarHBondContact O-N 2.79Å; R528-Y533 HydrophobicContact CB-CD2 4.37Å; R528-Y533 HydrophobicContact CB-CE2 4.47Å; R528-Y533 HydrophobicContact CB-CG 4.5Å; R528-Y533 HydrophobicContact CG-CD1 4.02Å; R528-Y533 HydrophobicContact CG-CD2 3.95Å; R528-Y533 HydrophobicContact CG-CE1 3.7Å; R528-Y533 HydrophobicContact CG-CE2 3.64Å; R528-Y533 HydrophobicContact CG-CG 4.14Å; R528-Y533 VanDerWaalsContact N-CD2 3.32Å; R528-Y576 VanDerWaalsContact CD-OH 3.29Å; R528-Y576 WeakPolarHBondContact CD-OH 3.34Å; R528-Y576 PolarHBondContact NE-OH 3.33Å; R528-K591 PolarHBondContact NH2-O 2.82Å; R528-K591 VanDerWaalsContact NH2-O 3.1Å; R528-D592 IonicContact NH2-OD1 3.13Å; R528-D592 PolarHBondContact NH2-OD1 3.26Å; R528-D592 VanDerWaalsContact NH2-OD1 3.13Å |
| 529 | N | 86.7 | Confident | 90.8 | Very high | 126 Ų | 126 | 59.1 Ų | 59.1 | 67% | 0.674 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -10 | 177.1 | -62.6 | -22.2 | 0 | 0 | 0 | 113.1 | S527 | S527-N529 PolarHBondContact O-N 3.4Š|
| 530 | F | 89.5 | Confident | 90.4 | Very high | 68 Ų | 68 | 60.5 Ų | 60.5 | 30% | 0.298 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -109.3 | 139.3 | -177.8 | -62.9 | -85.7 | 0 | 0 | 0 | 111.5 | S527 R528 S532 Y533 Y624 P626 | S527-F530 PolarHBondContact O-N 2.79Å; S527-F530 WeakPolarHBondContact OG-CD2 3.44Å; S527-F530 WeakPolarHBondContact OG-CE2 3.32Å; R528-F530 PolarHBondContact O-N 2.79Å; F530-S532 PolarHBondContact O-N 3.4Å; F530-Y533 WeakPolarHBondContact O-CB 3.22Å; F530-Y533 PolarHBondContact O-N 2.89Å; F530-Y624 WeakPolarHBondContact CE2-O 3.24Å; F530-P626 HydrophobicContact CD1-CG 3.99Å; F530-P626 HydrophobicContact CE1-CG 4.16Å; F530-P626 HydrophobicContact CG-CG 4.35Å |
| 531 | P | 87.6 | Confident | 89.9 | Confident | 131 Ų | 131 | 55 Ų | 55 | 85% | 0.851 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -59.3 | -28.1 | 176.7 | -24.9 | 34.1 | 0 | 0 | 0 | 113.9 | Y533 | P531-Y533 PolarHBondContact O-N 3.41Š|
| 532 | S | 90.1 | Very high | 89.7 | Confident | 29 Ų | 29 | 53.9 Ų | 53.9 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -74.2 | -2.8 | 176.9 | 45 | 0 | 0 | 0 | 0 | 113.8 | G525 F530 W534 Q535 | G525-S532 WeakPolarHBondContact CA-O 3.46Å; G525-S532 CarbonylContact O-C 3.54Å; G525-S532 VanDerWaalsContact O-C 3.27Å; G525-S532 PolarHBondContact O-OG 3.47Å; F530-S532 PolarHBondContact O-N 3.4Å; S532-W534 PolarHBondContact O-N 3.46Å; S532-Q535 VanDerWaalsContact O-CB 3.22Å; S532-Q535 WeakPolarHBondContact O-CB 3.45Å; S532-Q535 WeakPolarHBondContact O-CG 3.41Å; S532-Q535 PolarHBondContact O-N 3.01Å |
| 533 | Y | 92.3 | Very high | 89.3 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -49 | -39.7 | -176.1 | 174.6 | -105 | 0 | 0 | 0 | 113.9 | G525 G526 R528 F530 P531 Q535 N536 H574 Y576 V620 | G525-Y533 PolarHBondContact O-N 2.84Å; G526-Y533 VanDerWaalsContact O-CD2 3.28Å; G526-Y533 WeakPolarHBondContact O-CD2 3.46Å; R528-Y533 HydrophobicContact CB-CD2 4.37Å; R528-Y533 HydrophobicContact CB-CE2 4.47Å; R528-Y533 HydrophobicContact CB-CG 4.5Å; R528-Y533 HydrophobicContact CG-CD1 4.02Å; R528-Y533 HydrophobicContact CG-CD2 3.95Å; R528-Y533 HydrophobicContact CG-CE1 3.7Å; R528-Y533 HydrophobicContact CG-CE2 3.64Å; R528-Y533 HydrophobicContact CG-CG 4.14Å; R528-Y533 VanDerWaalsContact N-CD2 3.32Å; F530-Y533 WeakPolarHBondContact O-CB 3.22Å; F530-Y533 PolarHBondContact O-N 2.89Å; P531-Y533 PolarHBondContact O-N 3.41Å; Y533-Q535 PolarHBondContact O-N 3.34Å; Y533-N536 WeakPolarHBondContact O-CB 3.46Å; Y533-N536 PolarHBondContact O-N 3.19Å; Y533-N536 VanDerWaalsContact O-N 3.11Å; Y533-N536 PolarHBondContact O-ND2 2.78Å; Y533-H574 AromaticContact CZ-CD2 3.93Å; Y533-H574 WeakPolarHBondContact OH-CB 3.48Å; Y533-H574 PolarHBondContact OH-CD2 2.94Å; Y533-Y576 HydrophobicContact CE1-CE2 4.21Å; Y533-Y576 VanDerWaalsContact CE1-OH 3.25Å; Y533-Y576 WeakPolarHBondContact CE1-OH 3.43Å; Y533-Y576 WeakPolarHBondContact OH-CE2 3.35Å; Y533-Y576 PolarHBondContact OH-OH 3.03Å; Y533-V620 HydrophobicContact CE1-CG1 4.27Å; Y533-V620 HydrophobicContact CE2-CG1 4.24Å; Y533-V620 WeakPolarHBondContact OH-CB 3.27Å |
| 534 | W | 90 | Very high | 88 | Confident | 119 Ų | 119 | 49.1 Ų | 49.1 | 45% | 0.451 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -75.2 | -4.4 | -177.3 | -62.9 | 114.1 | 0 | 0 | 0 | 114.7 | S532 N536 Y576 K589 | S532-W534 PolarHBondContact O-N 3.46Å; W534-N536 VanDerWaalsContact C-N 3.28Å; W534-Y576 HydrophobicContact CH2-CD1 4.14Å; W534-Y576 HydrophobicContact CH2-CD2 4.32Å; W534-Y576 AromaticContact CH2-CE1 3.65Å; W534-Y576 HydrophobicContact CH2-CE1 3.65Å; W534-Y576 AromaticContact CH2-CE2 3.85Å; W534-Y576 HydrophobicContact CH2-CE2 3.85Å; W534-Y576 HydrophobicContact CH2-CG 4.44Å; W534-Y576 AromaticContact CH2-CZ 3.49Å; W534-Y576 VanDerWaalsContact CH2-CZ 3.49Å; W534-Y576 HydrophobicContact CZ2-CE1 4.49Å; W534-Y576 HydrophobicContact CZ3-CD2 4.23Å; W534-Y576 HydrophobicContact CZ3-CE1 4.46Å; W534-Y576 AromaticContact CZ3-CE2 3.84Å; W534-Y576 HydrophobicContact CZ3-CE2 3.84Å; W534-Y576 AromaticContact CZ3-CZ 3.98Å; W534-K589 HydrophobicContact CE3-CD 3.98Å; W534-K589 HydrophobicContact CH2-CB 4.49Å; W534-K589 HydrophobicContact CH2-CD 4.01Å; W534-K589 HydrophobicContact CZ3-CD 3.47Å; W534-K589 VanDerWaalsContact CZ3-CD 3.47Å |
| 535 | Q | 90.3 | Very high | 86.4 | Confident | 102 Ų | 102 | 52.1 Ų | 52.1 | 48% | 0.477 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -78.5 | -15.3 | 169.6 | -57.8 | 175.3 | 12.8 | 0 | 0 | 111.9 | T523 S532 Y533 | T523-Q535 WeakPolarHBondContact CA-O 3.45Å; S532-Q535 VanDerWaalsContact O-CB 3.22Å; S532-Q535 WeakPolarHBondContact O-CB 3.45Å; S532-Q535 WeakPolarHBondContact O-CG 3.41Å; S532-Q535 PolarHBondContact O-N 3.01Å; Y533-Q535 PolarHBondContact O-N 3.34Å |
| 536 | N | 93.7 | Very high | 84.3 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -59 | 147.4 | 175 | -73.7 | -67.1 | 0 | 0 | 0 | 111.5 | T523 G525 G526 Y533 W534 C538 V620 P621 | T523-N536 WeakPolarHBondContact O-CA 3.45Å; T523-N536 PolarHBondContact O-OD1 3.1Å; G525-N536 PolarHBondContact N-OD1 3.15Å; G525-N536 VanDerWaalsContact N-OD1 3.12Å; G526-N536 PolarHBondContact O-ND2 2.96Å; Y533-N536 WeakPolarHBondContact O-CB 3.46Å; Y533-N536 PolarHBondContact O-N 3.19Å; Y533-N536 VanDerWaalsContact O-N 3.11Å; Y533-N536 PolarHBondContact O-ND2 2.78Å; W534-N536 VanDerWaalsContact C-N 3.28Å; N536-C538 PolarHBondContact O-N 3.12Å; N536-C538 PolarHBondContact O-SG 3.38Å; N536-V620 HydrophobicContact CB-CG1 3.67Å; N536-P621 WeakPolarHBondContact CB-O 3.45Å |
| 537 | P | 92.9 | Very high | 82.1 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 14% | 0.143 | 36% | 0.36 | C | S | . | . | trans | -53.9 | 140.2 | 176.2 | -26.4 | 37 | 0 | 0 | 0 | 111.3 | T523 F539 P621 F632 | T523-P537 WeakPolarHBondContact O-CD 3.27Å; P537-F539 HydrophobicContact CB-CE2 3.61Å; P537-F539 HydrophobicContact CB-CZ 3.86Å; P537-P621 VanDerWaalsContact O-CD 3.32Å; P537-P621 WeakPolarHBondContact O-CD 3.47Å; P537-F632 HydrophobicContact CB-CZ 4.07Å; P537-F632 HydrophobicContact CG-CE1 4.17Å; P537-F632 HydrophobicContact CG-CZ 3.9Å | ||
| 538 | C | 89.8 | Confident | 79.7 | Confident | 47 Ų | 47 | 69.9 Ų | 69.9 | 32% | 0.318 | 39% | 0.391 | S | S | . | . | trans | -120.1 | 127.3 | 178.2 | -65.3 | 0 | 0 | 0 | 0 | 109 | N536 K589 T618 | N536-C538 PolarHBondContact O-N 3.12Å; N536-C538 PolarHBondContact O-SG 3.38Å; C538-K589 PolarHBondContact SG-NZ 3.26Å; C538-T618 HydrophobicContact CB-CG2 4.01Å | ||
| 539 | F | 87.2 | Confident | 77.6 | Confident | 30 Ų | 30 | 74 Ų | 74 | 13% | 0.132 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 107.8 | -180 | -58.4 | -85 | 0 | 0 | 0 | 110.2 | F514 P537 T618 V619 P621 F632 I634 | F514-F539 HydrophobicContact CB-CD1 3.5Å; F514-F539 VanDerWaalsContact CB-CD1 3.5Å; F514-F539 HydrophobicContact CB-CE1 3.73Å; F514-F539 HydrophobicContact CB-CG 3.96Å; F514-F539 HydrophobicContact CB-CZ 4.38Å; F514-F539 HydrophobicContact CD1-CB 4.34Å; F514-F539 AromaticContact CD1-CD1 3.78Å; F514-F539 HydrophobicContact CD1-CD1 3.78Å; F514-F539 HydrophobicContact CD1-CG 4.4Å; F514-F539 HydrophobicContact CD2-CB 4.32Å; F514-F539 HydrophobicContact CG-CB 4.14Å; F514-F539 AromaticContact CG-CD1 3.75Å; F514-F539 HydrophobicContact CG-CD1 3.75Å; F514-F539 HydrophobicContact CG-CE1 4.45Å; F514-F539 HydrophobicContact CG-CG 4.09Å; P537-F539 HydrophobicContact CB-CE2 3.61Å; P537-F539 HydrophobicContact CB-CZ 3.86Å; F539-T618 WeakPolarHBondContact O-CA 2.85Å; F539-V619 HydrophobicContact CB-CG1 3.76Å; F539-V619 HydrophobicContact CD2-CG1 4.43Å; F539-V619 PolarHBondContact N-O 2.82Å; F539-V619 PolarHBondContact O-N 3.32Å; F539-P621 HydrophobicContact CD2-CG 4.2Å; F539-P621 HydrophobicContact CE2-CG 3.85Å; F539-F632 AromaticContact CE2-CE2 3.71Å; F539-F632 HydrophobicContact CE2-CE2 3.71Å; F539-F632 AromaticContact CE2-CZ 3.86Å; F539-F632 HydrophobicContact CE2-CZ 3.86Å; F539-F632 HydrophobicContact CZ-CE2 4Å; F539-F632 HydrophobicContact CZ-CZ 4.13Å; F539-I634 HydrophobicContact CD2-CD1 3.44Å; F539-I634 VanDerWaalsContact CD2-CD1 3.44Å; F539-I634 HydrophobicContact CE2-CD1 3.71Å; F539-I634 HydrophobicContact CG-CD1 4.27Å |
| 540 | P | 86.1 | Confident | 75.6 | Confident | 91 Ų | 91 | 72.2 Ų | 72.2 | 59% | 0.591 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 144.8 | 179.2 | 29.9 | -33.5 | 0 | 0 | 0 | 111.6 | Y617 T618 | P540-Y617 CarbonylContact C-O 3.48Å; P540-Y617 VanDerWaalsContact CA-O 3.26Å; P540-Y617 WeakPolarHBondContact CA-O 3.41Å; P540-T618 WeakPolarHBondContact CA-OG1 3.24Å |
| 541 | F | 84 | Confident | 73.6 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 8% | 0.075 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 163.3 | 171.9 | 70.8 | -85.3 | 0 | 0 | 0 | 111.3 | V543 V555 I557 V575 L612 Y617 V619 L636 | F541-V543 HydrophobicContact CD2-CG2 4.34Å; F541-V543 HydrophobicContact CE2-CG2 4.02Å; F541-V555 HydrophobicContact CE2-CG1 4.23Å; F541-V555 HydrophobicContact CE2-CG2 4.42Å; F541-V555 HydrophobicContact CZ-CG1 4.42Å; F541-I557 HydrophobicContact CE1-CD1 4.46Å; F541-I557 HydrophobicContact CZ-CD1 4.39Å; F541-V575 HydrophobicContact CE1-CG1 3.96Å; F541-V575 HydrophobicContact CZ-CG1 3.86Å; F541-L612 HydrophobicContact CE2-CD1 3.99Å; F541-L612 HydrophobicContact CZ-CD1 3.77Å; F541-Y617 VanDerWaalsContact CE1-CB 3.47Å; F541-Y617 HydrophobicContact CE2-CD2 4.06Å; F541-Y617 HydrophobicContact CE2-CG 4.17Å; F541-Y617 HydrophobicContact CZ-CD2 4.37Å; F541-Y617 HydrophobicContact CZ-CG 4.01Å; F541-Y617 PolarHBondContact N-O 3.15Å; F541-Y617 PolarHBondContact O-N 3.2Å; F541-Y617 VanDerWaalsContact O-O 3.1Å; F541-V619 HydrophobicContact CE1-CB 4.44Å; F541-L636 HydrophobicContact CB-CD2 3.27Å; F541-L636 HydrophobicContact CD1-CD1 4.45Å; F541-L636 HydrophobicContact CD1-CD2 3.95Å; F541-L636 HydrophobicContact CD2-CD1 4.14Å; F541-L636 HydrophobicContact CD2-CD2 3.75Å; F541-L636 HydrophobicContact CE1-CD1 4.43Å; F541-L636 HydrophobicContact CE2-CD1 4.12Å; F541-L636 HydrophobicContact CG-CD1 4.3Å; F541-L636 HydrophobicContact CG-CD2 3.4Å; F541-L636 VanDerWaalsContact CG-CD2 3.4Å; F541-L636 HydrophobicContact CZ-CD1 4.26Å |
| 542 | A | 81.4 | Confident | 72.7 | Confident | 31 Ų | 31 | 71 Ų | 71 | 26% | 0.256 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G615 R638 | A542-G615 WeakPolarHBondContact CA-O 3.46Å; A542-R638 PolarHBondContact O-NH1 3Å |
| 543 | V | 81.3 | Confident | 72 | Confident | 10 Ų | 10 | 72.2 Ų | 72.2 | 6% | 0.061 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.1 | 171.3 | -178 | 0 | 0 | 0 | 0 | 107.1 | F541 V555 L612 P614 G615 Y617 | F541-V543 HydrophobicContact CD2-CG2 4.34Å; F541-V543 HydrophobicContact CE2-CG2 4.02Å; V543-V555 HydrophobicContact CG2-CG2 3.86Å; V543-L612 HydrophobicContact CG2-CB 4.35Å; V543-P614 CarbonylContact O-C 3.56Å; V543-P614 VanDerWaalsContact O-CA 3.28Å; V543-P614 WeakPolarHBondContact O-CA 3.48Å; V543-G615 PolarHBondContact N-O 2.75Å; V543-G615 PolarHBondContact O-N 2.83Å; V543-Y617 HydrophobicContact CB-CE2 4.2Å; V543-Y617 HydrophobicContact CG2-CD2 3.94Å; V543-Y617 HydrophobicContact CG2-CE2 3.88Å |
| 544 | C | 65.3 | Low | 71.5 | Confident | 100 Ų | 100 | 73.6 Ų | 73.6 | 68% | 0.676 | 44% | 0.436 | S | S | * | . | trans | -110.6 | 1.3 | -164.3 | -59.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 545 | D | 60.4 | Low | 71.3 | Confident | 64 Ų | 64 | 68 Ų | 68 | 34% | 0.342 | 41% | 0.414 | S | S | . | . | trans | -95 | 121.3 | -166.3 | -69.2 | -18.1 | 0 | 0 | 0 | 113.8 | P614 | D545-P614 WeakPolarHBondContact O-CG 3.46Š| ||
| 546 | E | 48.9 | Very low | 71.3 | Confident | 177 Ų | 177 | 67 Ų | 67 | 83% | 0.827 | 41% | 0.406 | S | S | * | . | trans | -61.9 | 145.2 | 168.2 | -80.5 | -148.5 | 165.8 | 0 | 0 | 112.3 | A548 | E546-A548 PolarHBondContact O-N 3.3Š| ||
| 547 | P | 43.9 | Very low | 71.2 | Confident | 120 Ų | 120 | 66.8 Ų | 66.8 | 78% | 0.779 | 41% | 0.405 | S | S | * | . | trans | -76.8 | 82.5 | -170.4 | 32.1 | -34.5 | 0 | 0 | 0 | 111.6 | L549 | P547-L549 PolarHBondContact O-N 2.83Š| ||
| 548 | A | 41.2 | Very low | 71.2 | Confident | 79 Ų | 79 | 67.6 Ų | 67.6 | 65% | 0.653 | 41% | 0.41 | S | S | * | . | trans | -88.6 | 100.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | E546 T550 | E546-A548 PolarHBondContact O-N 3.3Å; A548-T550 VanDerWaalsContact C-N 3.28Å; A548-T550 PolarHBondContact O-N 2.93Å; A548-T550 PolarHBondContact O-OG1 3.07Å | ||
| 549 | L | 46.7 | Very low | 71.4 | Confident | 182 Ų | 182 | 65.4 Ų | 65.4 | 95% | 0.953 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 38.8 | 33.8 | 153.6 | -122.5 | 91.4 | 0 | 0 | 0 | 119.4 | P547 | P547-L549 PolarHBondContact O-N 2.83Š|
| 550 | T | 44.5 | Very low | 71.7 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | trans | -120 | 95.4 | 170.4 | 46.3 | 0 | 0 | 0 | 0 | 110 | A548 G552 | A548-T550 VanDerWaalsContact C-N 3.28Å; A548-T550 PolarHBondContact O-N 2.93Å; A548-T550 PolarHBondContact O-OG1 3.07Å; T550-G552 PolarHBondContact O-N 2.78Å; T550-G552 VanDerWaalsContact O-N 3.13Å | ||
| 551 | S | 48.5 | Very low | 72.1 | Confident | 134 Ų | 134 | 62.1 Ų | 62.1 | 94% | 0.937 | 37% | 0.372 | S | S | * | . | trans | -66.9 | 102.8 | 164.9 | 167.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 552 | G | 67.8 | Low | 72.4 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -179.2 | 167.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | T550 N554 | T550-G552 PolarHBondContact O-N 2.78Å; T550-G552 VanDerWaalsContact O-N 3.13Å; G552-N554 PolarHBondContact O-N 3.31Å |
| 553 | V | 76.5 | Confident | 72.6 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 34% | 0.339 | 39% | 0.388 | S | S | . | . | trans | -58.1 | 127.7 | 173.4 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | W509 V555 R556 A609 C610 | W509-V553 HydrophobicContact CH2-CB 4.47Å; W509-V553 HydrophobicContact CH2-CG1 3.93Å; W509-V553 WeakPolarHBondContact CH2-O 3.34Å; W509-V553 VanDerWaalsContact CZ2-O 3.24Å; W509-V553 WeakPolarHBondContact CZ2-O 3.3Å; V553-V555 WeakPolarHBondContact CG1-O 3.47Å; V553-R556 HydrophobicContact CG1-CG 4.11Å; V553-A609 HydrophobicContact CG1-CB 3.69Å; V553-A609 HydrophobicContact CG2-CB 4.27Å; V553-C610 WeakPolarHBondContact CG1-O 3.49Å | ||
| 554 | N | 80.6 | Confident | 72.6 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 18% | 0.182 | 41% | 0.41 | C | S | . | . | trans | -121.7 | -5.6 | 177.7 | 70.7 | -8 | 0 | 0 | 0 | 113.8 | W509 G552 C610 A611 L612 R638 K639 | W509-N554 VanDerWaalsContact CH2-C 3.44Å; W509-N554 VanDerWaalsContact CZ3-C 3.41Å; W509-N554 WeakPolarHBondContact CZ3-O 3.45Å; G552-N554 PolarHBondContact O-N 3.31Å; N554-C610 PolarHBondContact N-O 3.21Å; N554-C610 VanDerWaalsContact N-O 3.14Å; N554-C610 PolarHBondContact OD1-O 3.23Å; N554-A611 VanDerWaalsContact OD1-CA 3.27Å; N554-A611 WeakPolarHBondContact OD1-CA 3.48Å; N554-L612 PolarHBondContact ND2-O 3.32Å; N554-L612 PolarHBondContact OD1-N 2.64Å; N554-R638 WeakPolarHBondContact O-CA 3.5Å; N554-K639 HydrophobicContact CB-CB 4.29Å; N554-K639 PolarHBondContact O-N 3.19Å | ||
| 555 | V | 85.9 | Confident | 73.2 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 132.7 | 174.8 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | F541 V543 V553 I557 C610 L612 L636 A637 | F541-V555 HydrophobicContact CE2-CG1 4.23Å; F541-V555 HydrophobicContact CE2-CG2 4.42Å; F541-V555 HydrophobicContact CZ-CG1 4.42Å; V543-V555 HydrophobicContact CG2-CG2 3.86Å; V553-V555 WeakPolarHBondContact CG1-O 3.47Å; V555-I557 HydrophobicContact CG1-CD1 4.2Å; V555-I557 HydrophobicContact CG1-CG1 3.92Å; V555-C610 PolarHBondContact N-O 2.82Å; V555-C610 PolarHBondContact O-N 3.1Å; V555-C610 VanDerWaalsContact O-O 3.09Å; V555-L612 HydrophobicContact CB-CD1 4.28Å; V555-L612 HydrophobicContact CG1-CD1 4.29Å; V555-L612 HydrophobicContact CG2-CB 4.32Å; V555-L612 HydrophobicContact CG2-CD1 4.11Å; V555-L612 HydrophobicContact CG2-CG 4.37Å; V555-L636 HydrophobicContact CG1-CD1 3.68Å; V555-A637 CarbonylContact C-O 3.52Å; V555-A637 WeakPolarHBondContact CA-O 3.2Å |
| 556 | R | 90.6 | Very high | 74 | Confident | 81 Ų | 81 | 73 Ų | 73 | 31% | 0.306 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 132.2 | 170 | -61.4 | 179.4 | -179 | 176.4 | 2.6 | 109.5 | W509 V553 L608 A609 L636 A637 | W509-R556 HydrophobicContact CH2-CG 4.09Å; W509-R556 HydrophobicContact CZ3-CB 4.48Å; W509-R556 HydrophobicContact CZ3-CG 3.92Å; V553-R556 HydrophobicContact CG1-CG 4.11Å; R556-L608 CarbonylContact C-O 3.59Å; R556-L608 WeakPolarHBondContact CA-O 3.29Å; R556-A609 HydrophobicContact CG-CB 4.13Å; R556-L636 CarbonylContact O-C 3.54Å; R556-L636 WeakPolarHBondContact O-CA 3.31Å; R556-A637 HydrophobicContact CB-CB 4.25Å; R556-A637 PolarHBondContact N-O 3Å; R556-A637 PolarHBondContact O-N 3.3Å |
| 557 | I | 91.8 | Very high | 75.8 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.3 | -179.7 | -54.8 | 178.6 | 0 | 0 | 0 | 107.9 | F541 V555 F573 V575 S607 L608 V619 I634 S635 L636 | F541-I557 HydrophobicContact CE1-CD1 4.46Å; F541-I557 HydrophobicContact CZ-CD1 4.39Å; V555-I557 HydrophobicContact CG1-CD1 4.2Å; V555-I557 HydrophobicContact CG1-CG1 3.92Å; I557-F573 HydrophobicContact CB-CE1 4.49Å; I557-F573 HydrophobicContact CB-CE2 3.68Å; I557-F573 HydrophobicContact CB-CZ 3.58Å; I557-F573 HydrophobicContact CD1-CE2 4.11Å; I557-F573 HydrophobicContact CG1-CE2 4.45Å; I557-F573 HydrophobicContact CG2-CD2 4.14Å; I557-F573 HydrophobicContact CG2-CE1 4.07Å; I557-F573 HydrophobicContact CG2-CE2 3.59Å; I557-F573 HydrophobicContact CG2-CZ 3.54Å; I557-F573 WeakPolarHBondContact O-CZ 3.31Å; I557-V575 HydrophobicContact CD1-CG2 3.49Å; I557-V575 VanDerWaalsContact CD1-CG2 3.49Å; I557-S607 CarbonylContact O-C 3.48Å; I557-S607 VanDerWaalsContact O-CA 3.23Å; I557-S607 WeakPolarHBondContact O-CA 3.36Å; I557-L608 PolarHBondContact N-O 2.66Å; I557-L608 PolarHBondContact O-N 3.09Å; I557-V619 HydrophobicContact CD1-CB 4.46Å; I557-V619 HydrophobicContact CD1-CG2 4.36Å; I557-V619 HydrophobicContact CG2-CG2 4.22Å; I557-I634 HydrophobicContact CG2-CG2 3.84Å; I557-S635 CarbonylContact C-O 3.51Å; I557-S635 VanDerWaalsContact CA-O 3.3Å; I557-S635 WeakPolarHBondContact CA-O 3.11Å; I557-L636 HydrophobicContact CD1-CD1 4.02Å; I557-L636 HydrophobicContact CG1-CD1 3.58Å |
| 558 | T | 93.8 | Very high | 78 | Confident | 39 Ų | 39 | 64 Ų | 64 | 24% | 0.239 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.7 | 172.1 | -58.6 | 0 | 0 | 0 | 0 | 109 | D605 V606 S607 I634 S635 | T558-D605 HydrophobicContact CG2-CB 4.37Å; T558-V606 CarbonylContact C-O 3.51Å; T558-V606 WeakPolarHBondContact CA-O 3.11Å; T558-S607 WeakPolarHBondContact CB-OG 3.43Å; T558-S607 VanDerWaalsContact CG2-OG 3.25Å; T558-S607 WeakPolarHBondContact CG2-OG 3.27Å; T558-S607 PolarHBondContact OG1-OG 2.84Å; T558-I634 CarbonylContact O-C 3.51Å; T558-I634 VanDerWaalsContact O-CA 3.28Å; T558-I634 WeakPolarHBondContact O-CA 3.44Å; T558-S635 PolarHBondContact N-O 3.47Å; T558-S635 PolarHBondContact O-N 2.85Å |
| 559 | L | 93.1 | Very high | 80.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 118.8 | 172.2 | 173.1 | 64.7 | 0 | 0 | 0 | 108.8 | W518 I571 F573 D605 V606 P621 F632 I634 | W518-L559 HydrophobicContact CH2-CD1 4.26Å; W518-L559 HydrophobicContact CH2-CD2 4.07Å; W518-L559 HydrophobicContact CH2-CG 4.46Å; W518-L559 HydrophobicContact CZ2-CD1 4.41Å; W518-L559 HydrophobicContact CZ2-CD2 4.09Å; L559-I571 HydrophobicContact CD2-CB 4.16Å; L559-I571 HydrophobicContact CD2-CD1 4.41Å; L559-I571 HydrophobicContact CG-CD1 4.25Å; L559-F573 HydrophobicContact CB-CD1 3.76Å; L559-F573 HydrophobicContact CB-CE1 4.13Å; L559-F573 HydrophobicContact CD2-CB 4.45Å; L559-F573 HydrophobicContact CD2-CD1 4.21Å; L559-D605 WeakPolarHBondContact O-CA 3.14Å; L559-V606 HydrophobicContact CB-CG2 3.87Å; L559-V606 HydrophobicContact CD2-CG2 4.22Å; L559-V606 HydrophobicContact CG-CG2 4.42Å; L559-V606 PolarHBondContact N-O 3.38Å; L559-V606 PolarHBondContact O-N 3.07Å; L559-P621 HydrophobicContact CD1-CB 3.72Å; L559-P621 HydrophobicContact CD2-CB 3.78Å; L559-P621 HydrophobicContact CG-CB 4.38Å; L559-F632 HydrophobicContact CD1-CB 3.92Å; L559-F632 HydrophobicContact CD1-CD2 3.54Å; L559-F632 HydrophobicContact CD1-CE2 4.28Å; L559-F632 HydrophobicContact CD1-CG 3.88Å; L559-I634 HydrophobicContact CD1-CG1 3.78Å |
| 560 | H | 93.9 | Very high | 82.7 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 25% | 0.245 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.4 | 178.8 | -179.1 | 81.4 | 0 | 0 | 0 | 110.2 | Q604 D605 F632 I633 | H560-Q604 WeakPolarHBondContact CA-O 3.49Å; H560-D605 WeakPolarHBondContact CA-OD1 3.44Å; H560-D605 WeakPolarHBondContact CB-OD1 3.48Å; H560-D605 IonicContact CE1-OD2 3.3Å; H560-D605 IonicContact CG-OD1 3.99Å; H560-D605 VanDerWaalsContact CG-OD1 3.25Å; H560-D605 IonicContact ND1-OD1 2.66Å; H560-D605 PolarHBondContact ND1-OD1 2.68Å; H560-D605 IonicContact ND1-OD2 3.69Å; H560-D605 PolarHBondContact ND1-OD2 2.83Å; H560-F632 CarbonylContact O-C 3.58Å; H560-F632 WeakPolarHBondContact O-CA 3.5Å; H560-F632 WeakPolarHBondContact O-CB 3.4Å; H560-I633 HydrophobicContact CB-CB 4.44Å; H560-I633 PolarHBondContact N-O 3.3Å; H560-I633 PolarHBondContact O-N 2.77Å |
| 561 | Q | 94.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 136.9 | 171.5 | 68.9 | -179.8 | -55.8 | 0 | 0 | 111.4 | W518 R563 L568 H569 I571 T603 Q604 | W518-Q561 HydrophobicContact CZ3-CB 4.39Å; Q561-R563 PolarHBondContact O-N 2.73Å; Q561-L568 HydrophobicContact CG-CD2 4.09Å; Q561-H569 PolarHBondContact NE2-O 3.43Å; Q561-I571 HydrophobicContact CB-CD1 4.14Å; Q561-I571 HydrophobicContact CB-CG2 4.37Å; Q561-I571 HydrophobicContact CG-CD1 4.04Å; Q561-T603 PolarHBondContact NE2-O 2.71Å; Q561-Q604 PolarHBondContact N-O 3.06Å |
| 562 | S | 90.1 | Very high | 87.3 | Confident | 66 Ų | 66 | 42.9 Ų | 42.9 | 46% | 0.462 | 24% | 0.244 | S | C | . | . | trans | -91.6 | 70.1 | 178.2 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | K631 | S562-K631 PolarHBondContact N-O 3.03Š| ||
| 563 | R | 86.5 | Confident | 88.6 | Confident | 56 Ų | 56 | 41.1 Ų | 41.1 | 21% | 0.211 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -129.8 | 153.3 | 174.5 | -67.8 | -169.9 | 76.8 | 102.6 | -1.2 | 110.5 | Q561 D567 L568 H569 Q604 S629 A630 | Q561-R563 PolarHBondContact O-N 2.73Å; R563-D567 WeakPolarHBondContact CD-O 3.43Å; R563-D567 IonicContact CZ-OD2 3.57Å; R563-D567 PolarHBondContact NE-O 2.81Å; R563-D567 IonicContact NE-OD2 3.8Å; R563-D567 IonicContact NH2-OD1 3.02Å; R563-D567 PolarHBondContact NH2-OD1 2.91Å; R563-D567 IonicContact NH2-OD2 2.64Å; R563-D567 PolarHBondContact NH2-OD2 3.16Å; R563-L568 HydrophobicContact CB-CD2 4.15Å; R563-H569 PolarHBondContact NH1-NE2 3.34Å; R563-Q604 PolarHBondContact O-NE2 3.05Å; R563-S629 PolarHBondContact NH1-O 3.04Å; R563-A630 HydrophobicContact CG-CB 3.96Å |
| 564 | P | 81.3 | Confident | 89.5 | Confident | 78 Ų | 78 | 39 Ų | 39 | 51% | 0.506 | 21% | 0.212 | S | C | . | . | trans | -66.8 | 149.8 | 174 | 28.2 | -33.3 | 0 | 0 | 0 | 111.4 | T566 D567 | P564-T566 PolarHBondContact O-N 2.74Å; P564-D567 HydrophobicContact CG-CB 4.27Å; P564-D567 CarbonylContact O-C 3.6Å; P564-D567 PolarHBondContact O-N 2.82Å | ||
| 565 | D | 76.7 | Confident | 90.1 | Very high | 114 Ų | 114 | 37.3 Ų | 37.3 | 61% | 0.61 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.6 | -173.9 | -61.7 | -11.5 | 0 | 0 | 0 | 113.9 | D567 Q604 | D565-D567 VanDerWaalsContact C-N 3.33Å; D565-Q604 PolarHBondContact OD1-NE2 2.7Å |
| 566 | T | 76.9 | Confident | 90.3 | Very high | 137 Ų | 137 | 37.3 Ų | 37.3 | 84% | 0.84 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -6 | 177.7 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | P564 | P564-T566 PolarHBondContact O-N 2.74Š|
| 567 | D | 87.4 | Confident | 90.1 | Very high | 79 Ų | 79 | 36.7 Ų | 36.7 | 42% | 0.422 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -150.7 | 58.7 | -171.5 | -176 | 18.5 | 0 | 0 | 0 | 111.1 | R563 P564 D565 | R563-D567 WeakPolarHBondContact CD-O 3.43Å; R563-D567 IonicContact CZ-OD2 3.57Å; R563-D567 PolarHBondContact NE-O 2.81Å; R563-D567 IonicContact NE-OD2 3.8Å; R563-D567 IonicContact NH2-OD1 3.02Å; R563-D567 PolarHBondContact NH2-OD1 2.91Å; R563-D567 IonicContact NH2-OD2 2.64Å; R563-D567 PolarHBondContact NH2-OD2 3.16Å; P564-D567 HydrophobicContact CG-CB 4.27Å; P564-D567 CarbonylContact O-C 3.6Å; P564-D567 PolarHBondContact O-N 2.82Å; D565-D567 VanDerWaalsContact C-N 3.33Å |
| 568 | L | 90.4 | Very high | 89.6 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 14% | 0.141 | 21% | 0.213 | C | C | . | . | trans | -88.6 | 144.5 | -179.6 | -64.2 | 173.8 | 0 | 0 | 0 | 111.4 | Q561 R563 Y602 Q604 | Q561-L568 HydrophobicContact CG-CD2 4.09Å; R563-L568 HydrophobicContact CB-CD2 4.15Å; L568-Y602 VanDerWaalsContact O-CD1 3.22Å; L568-Y602 WeakPolarHBondContact O-CD1 3.2Å; L568-Y602 WeakPolarHBondContact O-CE1 3.43Å; L568-Q604 HydrophobicContact CD2-CB 4.48Å | ||
| 569 | H | 92.9 | Very high | 88.4 | Confident | 28 Ų | 28 | 40.7 Ų | 40.7 | 13% | 0.13 | 22% | 0.223 | C | C | . | . | trans | -85.2 | 150.4 | 164.6 | -68.1 | -44.6 | 0 | 0 | 0 | 110.7 | Q561 R563 I571 T623 | Q561-H569 PolarHBondContact NE2-O 3.43Å; R563-H569 PolarHBondContact NH1-NE2 3.34Å; H569-I571 HydrophobicContact CB-CG2 4.32Å; H569-I571 PolarHBondContact O-N 3.49Å; H569-T623 HydrophobicContact CB-CG2 3.98Å | ||
| 570 | P | 93.3 | Very high | 86.5 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | trans | -69.2 | 114.8 | 166.7 | 29.8 | -34 | 0 | 0 | 0 | 109.3 | H600 C601 Y602 T623 Y624 | P570-H600 HydrophobicContact CB-CB 3.98Å; P570-C601 VanDerWaalsContact CA-O 3.3Å; P570-C601 WeakPolarHBondContact CA-O 3.24Å; P570-Y602 HydrophobicContact CB-CD2 4.32Å; P570-Y602 HydrophobicContact CB-CE1 4.43Å; P570-Y602 HydrophobicContact CB-CE2 4.15Å; P570-Y602 HydrophobicContact CG-CE1 4.21Å; P570-Y602 HydrophobicContact CG-CE2 4.39Å; P570-T623 CarbonylContact O-C 3.15Å; P570-T623 WeakPolarHBondContact O-CA 3.12Å; P570-Y624 VanDerWaalsContact CG-CB 3.46Å; P570-Y624 HydrophobicContact CG-CG 4.44Å; P570-Y624 PolarHBondContact O-N 3.44Å | ||
| 571 | I | 95 | Very high | 84.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 149.6 | -173.9 | 58.1 | 167.5 | 0 | 0 | 0 | 112.4 | W518 L559 Q561 H569 H600 C601 V606 T623 | W518-I571 HydrophobicContact CH2-CB 4.25Å; W518-I571 HydrophobicContact CH2-CG2 3.56Å; W518-I571 HydrophobicContact CZ3-CG2 3.85Å; L559-I571 HydrophobicContact CD2-CB 4.16Å; L559-I571 HydrophobicContact CD2-CD1 4.41Å; L559-I571 HydrophobicContact CG-CD1 4.25Å; Q561-I571 HydrophobicContact CB-CD1 4.14Å; Q561-I571 HydrophobicContact CB-CG2 4.37Å; Q561-I571 HydrophobicContact CG-CD1 4.04Å; H569-I571 HydrophobicContact CB-CG2 4.32Å; H569-I571 PolarHBondContact O-N 3.49Å; I571-H600 VanDerWaalsContact C-CD2 3.46Å; I571-H600 WeakPolarHBondContact O-CA 3.35Å; I571-C601 PolarHBondContact N-O 2.78Å; I571-C601 PolarHBondContact O-N 3.19Å; I571-V606 HydrophobicContact CD1-CG1 4.47Å; I571-V606 HydrophobicContact CD1-CG2 4.16Å; I571-V606 HydrophobicContact CG1-CG1 4.07Å; I571-V606 HydrophobicContact CG1-CG2 4.14Å; I571-T623 HydrophobicContact CG2-CG2 4.41Å |
| 572 | G | 93.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 167.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | C597 H600 S622 | G572-C597 WeakPolarHBondContact CA-O 3.48Å; G572-H600 PolarHBondContact N-CD2 3.04Å; G572-S622 PolarHBondContact N-O 3.32Å; G572-S622 PolarHBondContact O-N 3.34Å; G572-S622 PolarHBondContact O-OG 3.18Å |
| 573 | F | 96.1 | Very high | 79 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 159 | 179.1 | 63.5 | -96.5 | 0 | 0 | 0 | 113 | I557 L559 V575 C597 V606 L608 V619 V620 P621 | I557-F573 HydrophobicContact CB-CE1 4.49Å; I557-F573 HydrophobicContact CB-CE2 3.68Å; I557-F573 HydrophobicContact CB-CZ 3.58Å; I557-F573 HydrophobicContact CD1-CE2 4.11Å; I557-F573 HydrophobicContact CG1-CE2 4.45Å; I557-F573 HydrophobicContact CG2-CD2 4.14Å; I557-F573 HydrophobicContact CG2-CE1 4.07Å; I557-F573 HydrophobicContact CG2-CE2 3.59Å; I557-F573 HydrophobicContact CG2-CZ 3.54Å; I557-F573 WeakPolarHBondContact O-CZ 3.31Å; L559-F573 HydrophobicContact CB-CD1 3.76Å; L559-F573 HydrophobicContact CB-CE1 4.13Å; L559-F573 HydrophobicContact CD2-CB 4.45Å; L559-F573 HydrophobicContact CD2-CD1 4.21Å; F573-V575 HydrophobicContact CD2-CG2 4.41Å; F573-V575 HydrophobicContact CE2-CG2 4.45Å; F573-C597 HydrophobicContact CD1-CB 3.74Å; F573-C597 HydrophobicContact CD2-CB 4.13Å; F573-C597 HydrophobicContact CE1-CB 3.43Å; F573-C597 VanDerWaalsContact CE1-CB 3.43Å; F573-C597 HydrophobicContact CE2-CB 3.83Å; F573-C597 HydrophobicContact CG-CB 4.09Å; F573-C597 HydrophobicContact CZ-CB 3.47Å; F573-C597 VanDerWaalsContact CZ-CB 3.47Å; F573-C597 PolarHBondContact N-O 3.18Å; F573-C597 PolarHBondContact O-N 3.22Å; F573-V606 HydrophobicContact CD1-CG2 4.1Å; F573-V606 HydrophobicContact CE1-CG2 4.14Å; F573-L608 HydrophobicContact CE2-CB 3.86Å; F573-L608 HydrophobicContact CE2-CD2 4.07Å; F573-L608 HydrophobicContact CZ-CB 3.52Å; F573-V619 HydrophobicContact CB-CG2 4.1Å; F573-V619 HydrophobicContact CD2-CG2 3.78Å; F573-V619 HydrophobicContact CG-CG2 4.15Å; F573-V620 WeakPolarHBondContact CA-O 3.38Å; F573-P621 HydrophobicContact CB-CB 4.42Å |
| 574 | H | 94.3 | Very high | 76.9 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 5% | 0.046 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.7 | 175.9 | -61.8 | -81.5 | 0 | 0 | 0 | 110.7 | Y533 Y576 P593 S596 V619 V620 | Y533-H574 AromaticContact CZ-CD2 3.93Å; Y533-H574 WeakPolarHBondContact OH-CB 3.48Å; Y533-H574 PolarHBondContact OH-CD2 2.94Å; H574-Y576 HydrophobicContact CB-CE2 3.68Å; H574-P593 HydrophobicContact CB-CB 3.93Å; H574-S596 VanDerWaalsContact ND1-CB 3.33Å; H574-S596 WeakPolarHBondContact ND1-CB 3.45Å; H574-S596 PolarHBondContact ND1-OG 3.38Å; H574-V619 WeakPolarHBondContact O-CA 3.3Å; H574-V620 PolarHBondContact N-O 3Å; H574-V620 VanDerWaalsContact N-O 3.15Å; H574-V620 PolarHBondContact O-N 3.41Å |
| 575 | V | 92.9 | Very high | 75 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131 | 176.8 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | F541 I557 F573 P593 V594 A595 L612 Y617 T618 V619 | F541-V575 HydrophobicContact CE1-CG1 3.96Å; F541-V575 HydrophobicContact CZ-CG1 3.86Å; I557-V575 HydrophobicContact CD1-CG2 3.49Å; I557-V575 VanDerWaalsContact CD1-CG2 3.49Å; F573-V575 HydrophobicContact CD2-CG2 4.41Å; F573-V575 HydrophobicContact CE2-CG2 4.45Å; V575-P593 CarbonylContact O-C 3.58Å; V575-P593 WeakPolarHBondContact O-CA 3.12Å; V575-P593 WeakPolarHBondContact O-CB 3.38Å; V575-V594 HydrophobicContact CB-CG2 4.09Å; V575-V594 HydrophobicContact CG1-CG2 3.81Å; V575-V594 VanDerWaalsContact O-CG2 3.32Å; V575-V594 WeakPolarHBondContact O-CG2 3.25Å; V575-V594 PolarHBondContact O-N 3.08Å; V575-A595 HydrophobicContact CB-CB 4.12Å; V575-A595 HydrophobicContact CG2-CB 4.24Å; V575-A595 PolarHBondContact N-O 2.81Å; V575-L612 HydrophobicContact CG1-CD1 4.11Å; V575-Y617 HydrophobicContact CG1-CD1 4.21Å; V575-Y617 HydrophobicContact CG1-CG 4.49Å; V575-T618 CarbonylContact C-O 3.55Å; V575-T618 WeakPolarHBondContact CA-O 3.49Å; V575-V619 HydrophobicContact CG2-CG2 4.42Å |
| 576 | Y | 90.1 | Very high | 73.4 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 141.4 | 178.1 | -61 | -88.5 | 0 | 0 | 0 | 110.1 | R528 Y533 W534 H574 E590 P593 Y617 T618 V620 | R528-Y576 VanDerWaalsContact CD-OH 3.29Å; R528-Y576 WeakPolarHBondContact CD-OH 3.34Å; R528-Y576 PolarHBondContact NE-OH 3.33Å; Y533-Y576 HydrophobicContact CE1-CE2 4.21Å; Y533-Y576 VanDerWaalsContact CE1-OH 3.25Å; Y533-Y576 WeakPolarHBondContact CE1-OH 3.43Å; Y533-Y576 WeakPolarHBondContact OH-CE2 3.35Å; Y533-Y576 PolarHBondContact OH-OH 3.03Å; W534-Y576 HydrophobicContact CH2-CD1 4.14Å; W534-Y576 HydrophobicContact CH2-CD2 4.32Å; W534-Y576 AromaticContact CH2-CE1 3.65Å; W534-Y576 HydrophobicContact CH2-CE1 3.65Å; W534-Y576 AromaticContact CH2-CE2 3.85Å; W534-Y576 HydrophobicContact CH2-CE2 3.85Å; W534-Y576 HydrophobicContact CH2-CG 4.44Å; W534-Y576 AromaticContact CH2-CZ 3.49Å; W534-Y576 VanDerWaalsContact CH2-CZ 3.49Å; W534-Y576 HydrophobicContact CZ2-CE1 4.49Å; W534-Y576 HydrophobicContact CZ3-CD2 4.23Å; W534-Y576 HydrophobicContact CZ3-CE1 4.46Å; W534-Y576 AromaticContact CZ3-CE2 3.84Å; W534-Y576 HydrophobicContact CZ3-CE2 3.84Å; W534-Y576 AromaticContact CZ3-CZ 3.98Å; H574-Y576 HydrophobicContact CB-CE2 3.68Å; Y576-E590 WeakPolarHBondContact CD1-O 3.47Å; Y576-P593 HydrophobicContact CD1-CB 4.26Å; Y576-P593 HydrophobicContact CE1-CB 3.87Å; Y576-Y617 CarbonylContact O-C 3.38Å; Y576-Y617 WeakPolarHBondContact O-CA 3.44Å; Y576-T618 PolarHBondContact N-O 2.85Å; Y576-T618 PolarHBondContact O-N 2.83Å; Y576-V620 HydrophobicContact CD2-CG2 3.87Å; Y576-V620 HydrophobicContact CE2-CB 4.27Å; Y576-V620 HydrophobicContact CE2-CG2 3.85Å |
| 577 | K | 86.4 | Confident | 71.9 | Confident | 67 Ų | 67 | 71.8 Ų | 71.8 | 29% | 0.291 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 135.7 | 168.3 | -163.7 | 171.3 | -174.5 | 178.7 | 0 | 109.3 | E590 V594 Y617 | K577-E590 WeakPolarHBondContact CB-OE2 3.19Å; K577-V594 HydrophobicContact CB-CG1 3.96Å; K577-Y617 HydrophobicContact CB-CD1 4.02Å; K577-Y617 HydrophobicContact CB-CE1 3.81Å; K577-Y617 HydrophobicContact CD-CE1 4.15Å; K577-Y617 HydrophobicContact CG-CD1 4.19Å; K577-Y617 HydrophobicContact CG-CE1 3.72Å |
| 578 | V | 82.3 | Confident | 70.1 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 22% | 0.218 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -96.4 | 116.2 | 177.4 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | A587 S616 | V578-A587 HydrophobicContact CG1-CB 3.9Å; V578-S616 PolarHBondContact N-O 2.72Å |
| 579 | L | 69.6 | Low | 68.6 | Low | 87 Ų | 87 | 72.9 Ų | 72.9 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 122.2 | 173.8 | -64.8 | 171.2 | 0 | 0 | 0 | 108.6 | V581 | L579-V581 PolarHBondContact O-N 2.8Š|
| 580 | Q | 53.1 | Low | 67 | Low | 184 Ų | 184 | 75.5 Ų | 75.5 | 86% | 0.86 | 40% | 0.403 | S | S | * | . | trans | -68.3 | 100.2 | 168.2 | -78 | -176 | -13.4 | 0 | 0 | 107.8 | ||||
| 581 | V | 43.3 | Very low | 65.5 | Low | 105 Ų | 105 | 83.7 Ų | 83.7 | 64% | 0.636 | 44% | 0.438 | S | S | * | . | trans | -109.5 | 125 | 162.4 | -175.7 | 0 | 0 | 0 | 0 | 106.1 | L579 S583 | L579-V581 PolarHBondContact O-N 2.8Å; V581-S583 VanDerWaalsContact C-N 3.33Å; V581-S583 PolarHBondContact O-N 2.82Å | ||
| 582 | E | 39.4 | Very low | 64.8 | Low | 204 Ų | 204 | 88.8 Ų | 88.8 | 95% | 0.953 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -62.2 | 88.6 | 174.3 | -68.5 | 178.7 | 152.8 | 0 | 0 | 110.2 | ||
| 583 | S | 36.5 | Very low | 64.6 | Low | 97 Ų | 97 | 90.1 Ų | 90.1 | 68% | 0.678 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -174.8 | 126.8 | 152.4 | -167.3 | 0 | 0 | 0 | 0 | 109.3 | V581 Q585 | V581-S583 VanDerWaalsContact C-N 3.33Å; V581-S583 PolarHBondContact O-N 2.82Å; S583-Q585 VanDerWaalsContact C-N 3.33Å; S583-Q585 PolarHBondContact O-N 3.26Å |
| 584 | E | 43.3 | Very low | 64.3 | Low | 188 Ų | 188 | 92.9 Ų | 92.9 | 88% | 0.879 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -66.6 | 88.6 | 172.6 | -70.1 | -177.4 | 151.7 | 0 | 0 | 110.4 | ||
| 585 | Q | 40.8 | Very low | 64.1 | Low | 176 Ų | 176 | 93 Ų | 93 | 82% | 0.822 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 163.9 | 122.1 | 142.9 | -87.9 | 158.7 | 36 | 0 | 0 | 107.5 | S583 | S583-Q585 VanDerWaalsContact C-N 3.33Å; S583-Q585 PolarHBondContact O-N 3.26Å |
| 586 | T | 44.1 | Very low | 64 | Low | 142 Ų | 142 | 94.9 Ų | 94.9 | 87% | 0.871 | 51% | 0.506 | S | S | * | . | trans | 66.5 | 79.7 | -173.9 | 29.6 | 0 | 0 | 0 | 0 | 116.4 | A588 | T586-A588 PolarHBondContact O-N 3.01Š| ||
| 587 | A | 45.3 | Very low | 64.1 | Low | 61 Ų | 61 | 95.8 Ų | 95.8 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | trans | -55.6 | 121.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V578 K589 | V578-A587 HydrophobicContact CG1-CB 3.9Å; A587-K589 PolarHBondContact O-N 2.78Å; A587-K589 VanDerWaalsContact O-N 3.12Å | ||
| 588 | A | 49.1 | Very low | 64 | Low | 53 Ų | 53 | 96.2 Ų | 96.2 | 44% | 0.438 | 52% | 0.52 | S | S | . | . | trans | -65.2 | 111.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | T586 | T586-A588 PolarHBondContact O-N 3.01Š| ||
| 589 | K | 58.4 | Low | 64.1 | Low | 77 Ų | 77 | 99.5 Ų | 99.5 | 34% | 0.335 | 54% | 0.542 | S | S | . | . | B | Isolated β-bridge | trans | -76.9 | 134.6 | 170.2 | -62.4 | 179.2 | -175.8 | 175.5 | 0 | 108.1 | W534 C538 A587 K591 | W534-K589 HydrophobicContact CE3-CD 3.98Å; W534-K589 HydrophobicContact CH2-CB 4.49Å; W534-K589 HydrophobicContact CH2-CD 4.01Å; W534-K589 HydrophobicContact CZ3-CD 3.47Å; W534-K589 VanDerWaalsContact CZ3-CD 3.47Å; C538-K589 PolarHBondContact SG-NZ 3.26Å; A587-K589 PolarHBondContact O-N 2.78Å; A587-K589 VanDerWaalsContact O-N 3.12Å; K589-K591 PolarHBondContact O-N 2.93Å |
| 590 | E | 59.9 | Low | 65.1 | Low | 82 Ų | 82 | 96.6 Ų | 96.6 | 38% | 0.383 | 53% | 0.527 | S | S | . | . | trans | -53.7 | 136.4 | 170.4 | -156.5 | 166 | -155.6 | 0 | 0 | 109.4 | Y576 K577 D592 V594 | Y576-E590 WeakPolarHBondContact CD1-O 3.47Å; K577-E590 WeakPolarHBondContact CB-OE2 3.19Å; E590-D592 PolarHBondContact O-N 3.21Å; E590-V594 WeakPolarHBondContact OE2-CG1 3.17Å | ||
| 591 | K | 62.3 | Low | 66.4 | Low | 188 Ų | 188 | 90.2 Ų | 90.2 | 82% | 0.817 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -63.8 | -27.4 | -174.1 | -80.5 | -173.2 | 176.5 | 179.7 | 0 | 112.4 | R528 K589 | R528-K591 PolarHBondContact NH2-O 2.82Å; R528-K591 VanDerWaalsContact NH2-O 3.1Å; K589-K591 PolarHBondContact O-N 2.93Å |
| 592 | D | 80.3 | Confident | 68.5 | Low | 107 Ų | 107 | 93.3 Ų | 93.3 | 57% | 0.572 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -113.1 | 142.3 | 178 | -71.8 | -45.9 | 0 | 0 | 0 | 112.4 | R528 E590 | R528-D592 IonicContact NH2-OD1 3.13Å; R528-D592 PolarHBondContact NH2-OD1 3.26Å; R528-D592 VanDerWaalsContact NH2-OD1 3.13Å; E590-D592 PolarHBondContact O-N 3.21Å |
| 593 | P | 89.5 | Confident | 70.6 | Confident | 27 Ų | 27 | 86.2 Ų | 86.2 | 18% | 0.175 | 47% | 0.474 | C | S | . | . | trans | -72.6 | 135.3 | 179.8 | 30.2 | -34.8 | 0 | 0 | 0 | 110.9 | H574 V575 Y576 A595 S596 | H574-P593 HydrophobicContact CB-CB 3.93Å; V575-P593 CarbonylContact O-C 3.58Å; V575-P593 WeakPolarHBondContact O-CA 3.12Å; V575-P593 WeakPolarHBondContact O-CB 3.38Å; Y576-P593 HydrophobicContact CD1-CB 4.26Å; Y576-P593 HydrophobicContact CE1-CB 3.87Å; P593-A595 VanDerWaalsContact C-N 3.25Å; P593-A595 PolarHBondContact O-N 3.11Å; P593-S596 VanDerWaalsContact CG-OG 3.25Å; P593-S596 WeakPolarHBondContact CG-OG 3.3Å | ||
| 594 | V | 90.1 | Very high | 73.1 | Confident | 59 Ų | 59 | 85 Ų | 85 | 36% | 0.358 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -71.4 | -21.7 | 174.6 | -64.8 | 0 | 0 | 0 | 0 | 112.7 | V575 K577 E590 L612 Y617 | V575-V594 HydrophobicContact CB-CG2 4.09Å; V575-V594 HydrophobicContact CG1-CG2 3.81Å; V575-V594 VanDerWaalsContact O-CG2 3.32Å; V575-V594 WeakPolarHBondContact O-CG2 3.25Å; V575-V594 PolarHBondContact O-N 3.08Å; K577-V594 HydrophobicContact CB-CG1 3.96Å; E590-V594 WeakPolarHBondContact OE2-CG1 3.17Å; V594-L612 HydrophobicContact CB-CD2 4.38Å; V594-L612 HydrophobicContact CG2-CD2 3.88Å; V594-Y617 HydrophobicContact CG2-CD1 3.91Å; V594-Y617 HydrophobicContact CG2-CE1 3.94Å |
| 595 | A | 89.8 | Confident | 75.2 | Confident | 13 Ų | 13 | 79.4 Ų | 79.4 | 11% | 0.107 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 145.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V575 P593 L608 C610 L612 | V575-A595 HydrophobicContact CB-CB 4.12Å; V575-A595 HydrophobicContact CG2-CB 4.24Å; V575-A595 PolarHBondContact N-O 2.81Å; P593-A595 VanDerWaalsContact C-N 3.25Å; P593-A595 PolarHBondContact O-N 3.11Å; A595-L608 HydrophobicContact CB-CD2 3.68Å; A595-C610 HydrophobicContact CB-CB 4.24Å; A595-L612 HydrophobicContact CB-CD2 4.5Å |
| 596 | S | 90.7 | Very high | 77.3 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 27% | 0.273 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 140.6 | -178.1 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | H574 P593 | H574-S596 VanDerWaalsContact ND1-CB 3.33Å; H574-S596 WeakPolarHBondContact ND1-CB 3.45Å; H574-S596 PolarHBondContact ND1-OG 3.38Å; P593-S596 VanDerWaalsContact CG-OG 3.25Å; P593-S596 WeakPolarHBondContact CG-OG 3.3Å |
| 597 | C | 91.2 | Very high | 79.6 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 14% | 0.135 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 86 | 169.5 | -165.5 | 0 | 0 | 0 | 0 | 107.8 | G572 F573 S607 L608 | G572-C597 WeakPolarHBondContact CA-O 3.48Å; F573-C597 HydrophobicContact CD1-CB 3.74Å; F573-C597 HydrophobicContact CD2-CB 4.13Å; F573-C597 HydrophobicContact CE1-CB 3.43Å; F573-C597 VanDerWaalsContact CE1-CB 3.43Å; F573-C597 HydrophobicContact CE2-CB 3.83Å; F573-C597 HydrophobicContact CG-CB 4.09Å; F573-C597 HydrophobicContact CZ-CB 3.47Å; F573-C597 VanDerWaalsContact CZ-CB 3.47Å; F573-C597 PolarHBondContact N-O 3.18Å; F573-C597 PolarHBondContact O-N 3.22Å; C597-S607 PolarHBondContact SG-O 3.36Å; C597-L608 HydrophobicContact CB-CB 4.06Å |
| 598 | V | 84.6 | Confident | 81.6 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 155 | -177.4 | -68.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 599 | P | 84.4 | Confident | 83.5 | Confident | 105 Ų | 105 | 67.6 Ų | 67.6 | 68% | 0.682 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -67.2 | 160.5 | 4.9 | 30.1 | -36.4 | 0 | 0 | 0 | 113.5 | C601 | P599-C601 PolarHBondContact O-N 2.94Å; P599-C601 PolarHBondContact O-SG 3.21Å; P599-C601 VanDerWaalsContact O-SG 3.34Å |
| 600 | H | 91.1 | Very high | 84.7 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 13% | 0.125 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 131.3 | 171.8 | -68.7 | 66.5 | 0 | 0 | 0 | 109.8 | P570 I571 G572 S622 T623 Y624 | P570-H600 HydrophobicContact CB-CB 3.98Å; I571-H600 VanDerWaalsContact C-CD2 3.46Å; I571-H600 WeakPolarHBondContact O-CA 3.35Å; G572-H600 PolarHBondContact N-CD2 3.04Å; H600-S622 PolarHBondContact CD2-O 3.33Å; H600-S622 VanDerWaalsContact CD2-O 3.31Å; H600-S622 PolarHBondContact NE2-O 2.95Å; H600-S622 PolarHBondContact NE2-OG 2.7Å; H600-T623 VanDerWaalsContact CD2-C 3.5Å; H600-Y624 HydrophobicContact CB-CD2 4.16Å; H600-Y624 HydrophobicContact CB-CG 4.46Å; H600-Y624 PolarHBondContact CD2-N 3.15Å |
| 601 | C | 81 | Confident | 86 | Confident | 50 Ų | 50 | 64.2 Ų | 64.2 | 34% | 0.338 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146.1 | -172.9 | -67.7 | 0 | 0 | 0 | 0 | 112 | P570 I571 P599 T603 V606 | P570-C601 VanDerWaalsContact CA-O 3.3Å; P570-C601 WeakPolarHBondContact CA-O 3.24Å; I571-C601 PolarHBondContact N-O 2.78Å; I571-C601 PolarHBondContact O-N 3.19Å; P599-C601 PolarHBondContact O-N 2.94Å; P599-C601 PolarHBondContact O-SG 3.21Å; P599-C601 VanDerWaalsContact O-SG 3.34Å; C601-T603 HydrophobicContact CB-CG2 4.09Å; C601-T603 PolarHBondContact O-N 2.99Å; C601-V606 HydrophobicContact CB-CG1 4.4Å |
| 602 | Y | 86 | Confident | 87.1 | Confident | 170 Ų | 170 | 55.6 Ų | 55.6 | 67% | 0.667 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -74.3 | 69 | 171.9 | -71.2 | -85.5 | 0 | 0 | 0 | 110.6 | L568 P570 | L568-Y602 VanDerWaalsContact O-CD1 3.22Å; L568-Y602 WeakPolarHBondContact O-CD1 3.2Å; L568-Y602 WeakPolarHBondContact O-CE1 3.43Å; P570-Y602 HydrophobicContact CB-CD2 4.32Å; P570-Y602 HydrophobicContact CB-CE1 4.43Å; P570-Y602 HydrophobicContact CB-CE2 4.15Å; P570-Y602 HydrophobicContact CG-CE1 4.21Å; P570-Y602 HydrophobicContact CG-CE2 4.39Å |
| 603 | T | 83.1 | Confident | 87.2 | Confident | 55 Ų | 55 | 54 Ų | 54 | 34% | 0.337 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -132.6 | 152.6 | -179.9 | 59.1 | 0 | 0 | 0 | 0 | 110.3 | Q561 C601 D605 V606 | Q561-T603 PolarHBondContact NE2-O 2.71Å; C601-T603 HydrophobicContact CB-CG2 4.09Å; C601-T603 PolarHBondContact O-N 2.99Å; T603-D605 WeakPolarHBondContact CB-O 3.32Å; T603-D605 PolarHBondContact O-N 3.05Å; T603-D605 PolarHBondContact OG1-O 3.27Å; T603-V606 VanDerWaalsContact OG1-CG1 3.26Å; T603-V606 WeakPolarHBondContact OG1-CG1 3.22Å |
| 604 | Q | 89.2 | Confident | 86.9 | Confident | 71 Ų | 71 | 55.8 Ų | 55.8 | 33% | 0.332 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -66.2 | -30.7 | 176.1 | -166.7 | 161.2 | 58.2 | 0 | 0 | 111.4 | H560 Q561 R563 D565 L568 | H560-Q604 WeakPolarHBondContact CA-O 3.49Å; Q561-Q604 PolarHBondContact N-O 3.06Å; R563-Q604 PolarHBondContact O-NE2 3.05Å; D565-Q604 PolarHBondContact OD1-NE2 2.7Å; L568-Q604 HydrophobicContact CD2-CB 4.48Å |
| 605 | D | 89 | Confident | 86.6 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143.5 | 179.3 | -67.4 | -81.2 | 0 | 0 | 0 | 112.1 | T558 L559 H560 T603 | T558-D605 HydrophobicContact CG2-CB 4.37Å; L559-D605 WeakPolarHBondContact O-CA 3.14Å; H560-D605 WeakPolarHBondContact CA-OD1 3.44Å; H560-D605 WeakPolarHBondContact CB-OD1 3.48Å; H560-D605 IonicContact CE1-OD2 3.3Å; H560-D605 IonicContact CG-OD1 3.99Å; H560-D605 VanDerWaalsContact CG-OD1 3.25Å; H560-D605 IonicContact ND1-OD1 2.66Å; H560-D605 PolarHBondContact ND1-OD1 2.68Å; H560-D605 IonicContact ND1-OD2 3.69Å; H560-D605 PolarHBondContact ND1-OD2 2.83Å; T603-D605 WeakPolarHBondContact CB-O 3.32Å; T603-D605 PolarHBondContact O-N 3.05Å; T603-D605 PolarHBondContact OG1-O 3.27Å |
| 606 | V | 84.4 | Confident | 86.4 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 9% | 0.085 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141 | 164.6 | -65.2 | 0 | 0 | 0 | 0 | 109.7 | T558 L559 I571 F573 C601 T603 | T558-V606 CarbonylContact C-O 3.51Å; T558-V606 WeakPolarHBondContact CA-O 3.11Å; L559-V606 HydrophobicContact CB-CG2 3.87Å; L559-V606 HydrophobicContact CD2-CG2 4.22Å; L559-V606 HydrophobicContact CG-CG2 4.42Å; L559-V606 PolarHBondContact N-O 3.38Å; L559-V606 PolarHBondContact O-N 3.07Å; I571-V606 HydrophobicContact CD1-CG1 4.47Å; I571-V606 HydrophobicContact CD1-CG2 4.16Å; I571-V606 HydrophobicContact CG1-CG1 4.07Å; I571-V606 HydrophobicContact CG1-CG2 4.14Å; F573-V606 HydrophobicContact CD1-CG2 4.1Å; F573-V606 HydrophobicContact CE1-CG2 4.14Å; C601-V606 HydrophobicContact CB-CG1 4.4Å; T603-V606 VanDerWaalsContact OG1-CG1 3.26Å; T603-V606 WeakPolarHBondContact OG1-CG1 3.22Å |
| 607 | S | 91.5 | Very high | 86.3 | Confident | 74 Ų | 74 | 54 Ų | 54 | 52% | 0.517 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.9 | -174.8 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | I557 T558 C597 | I557-S607 CarbonylContact O-C 3.48Å; I557-S607 VanDerWaalsContact O-CA 3.23Å; I557-S607 WeakPolarHBondContact O-CA 3.36Å; T558-S607 WeakPolarHBondContact CB-OG 3.43Å; T558-S607 VanDerWaalsContact CG2-OG 3.25Å; T558-S607 WeakPolarHBondContact CG2-OG 3.27Å; T558-S607 PolarHBondContact OG1-OG 2.84Å; C597-S607 PolarHBondContact SG-O 3.36Å |
| 608 | L | 88.1 | Confident | 86.3 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 20% | 0.199 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.4 | 173.9 | -176.1 | 66.2 | 0 | 0 | 0 | 110.5 | R556 I557 F573 A595 C597 C610 | R556-L608 CarbonylContact C-O 3.59Å; R556-L608 WeakPolarHBondContact CA-O 3.29Å; I557-L608 PolarHBondContact N-O 2.66Å; I557-L608 PolarHBondContact O-N 3.09Å; F573-L608 HydrophobicContact CE2-CB 3.86Å; F573-L608 HydrophobicContact CE2-CD2 4.07Å; F573-L608 HydrophobicContact CZ-CB 3.52Å; A595-L608 HydrophobicContact CB-CD2 3.68Å; C597-L608 HydrophobicContact CB-CB 4.06Å; L608-C610 HydrophobicContact CG-CB 4.48Å |
| 609 | A | 88.8 | Confident | 86.7 | Confident | 58 Ų | 58 | 50 Ų | 50 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | V553 R556 | V553-A609 HydrophobicContact CG1-CB 3.69Å; V553-A609 HydrophobicContact CG2-CB 4.27Å; R556-A609 HydrophobicContact CG-CB 4.13Å |
| 610 | C | 83.9 | Confident | 87.2 | Confident | 18 Ų | 18 | 45 Ų | 45 | 12% | 0.122 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 164.5 | -179.5 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | V553 N554 V555 A595 L608 | V553-C610 WeakPolarHBondContact CG1-O 3.49Å; N554-C610 PolarHBondContact N-O 3.21Å; N554-C610 VanDerWaalsContact N-O 3.14Å; N554-C610 PolarHBondContact OD1-O 3.23Å; V555-C610 PolarHBondContact N-O 2.82Å; V555-C610 PolarHBondContact O-N 3.1Å; V555-C610 VanDerWaalsContact O-O 3.09Å; A595-C610 HydrophobicContact CB-CB 4.24Å; L608-C610 HydrophobicContact CG-CB 4.48Å |
| 611 | A | 87.1 | Confident | 87.5 | Confident | 69 Ų | 69 | 43.7 Ų | 43.7 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | trans | -105 | 116.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | N554 | N554-A611 VanDerWaalsContact OD1-CA 3.27Å; N554-A611 WeakPolarHBondContact OD1-CA 3.48Å | ||
| 612 | L | 85.3 | Confident | 88.2 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | trans | -114.6 | 131 | 177.6 | -63.5 | -179 | 0 | 0 | 0 | 109.8 | F541 V543 N554 V555 V575 V594 A595 Y617 | F541-L612 HydrophobicContact CE2-CD1 3.99Å; F541-L612 HydrophobicContact CZ-CD1 3.77Å; V543-L612 HydrophobicContact CG2-CB 4.35Å; N554-L612 PolarHBondContact ND2-O 3.32Å; N554-L612 PolarHBondContact OD1-N 2.64Å; V555-L612 HydrophobicContact CB-CD1 4.28Å; V555-L612 HydrophobicContact CG1-CD1 4.29Å; V555-L612 HydrophobicContact CG2-CB 4.32Å; V555-L612 HydrophobicContact CG2-CD1 4.11Å; V555-L612 HydrophobicContact CG2-CG 4.37Å; V575-L612 HydrophobicContact CG1-CD1 4.11Å; V594-L612 HydrophobicContact CB-CD2 4.38Å; V594-L612 HydrophobicContact CG2-CD2 3.88Å; A595-L612 HydrophobicContact CB-CD2 4.5Å; L612-Y617 HydrophobicContact CB-CE1 4.42Å; L612-Y617 HydrophobicContact CB-CE2 4.1Å; L612-Y617 HydrophobicContact CD1-CD1 4.17Å; L612-Y617 HydrophobicContact CD1-CD2 4.32Å; L612-Y617 HydrophobicContact CD1-CE1 4.3Å; L612-Y617 HydrophobicContact CD1-CE2 4.43Å; L612-Y617 HydrophobicContact CD1-CG 4.2Å; L612-Y617 HydrophobicContact CD2-CE1 4.29Å | ||
| 613 | P | 83.2 | Confident | 88.7 | Confident | 74 Ų | 74 | 33.2 Ų | 33.2 | 48% | 0.481 | 22% | 0.22 | S | C | . | . | trans | -65.4 | 163.9 | 174.6 | 25.9 | -31.3 | 0 | 0 | 0 | 111.1 | G615 Y617 | P613-G615 PolarHBondContact O-N 2.84Å; P613-Y617 VanDerWaalsContact CD-OH 3.29Å; P613-Y617 WeakPolarHBondContact CD-OH 3.34Å; P613-Y617 WeakPolarHBondContact CG-OH 3.33Å; P613-Y617 VanDerWaalsContact O-CE2 3.26Å; P613-Y617 WeakPolarHBondContact O-CE2 3.49Å; P613-Y617 PolarHBondContact O-OH 2.76Å | ||
| 614 | P | 82.3 | Confident | 89.2 | Confident | 63 Ų | 63 | 35.6 Ų | 35.6 | 41% | 0.409 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -54.6 | 138.5 | 176 | -29.6 | 40.4 | 0 | 0 | 0 | 112.2 | V543 D545 | V543-P614 CarbonylContact O-C 3.56Å; V543-P614 VanDerWaalsContact O-CA 3.28Å; V543-P614 WeakPolarHBondContact O-CA 3.48Å; D545-P614 WeakPolarHBondContact O-CG 3.46Å |
| 615 | G | 83.4 | Confident | 89.4 | Confident | 26 Ų | 26 | 37.9 Ų | 37.9 | 27% | 0.268 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.3 | 178.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A542 V543 P613 Y617 | A542-G615 WeakPolarHBondContact CA-O 3.46Å; V543-G615 PolarHBondContact N-O 2.75Å; V543-G615 PolarHBondContact O-N 2.83Å; P613-G615 PolarHBondContact O-N 2.84Å; G615-Y617 WeakPolarHBondContact O-CD2 3.48Å; G615-Y617 WeakPolarHBondContact O-CE2 3.44Å |
| 616 | S | 85.3 | Confident | 89.6 | Confident | 46 Ų | 46 | 36.1 Ų | 36.1 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 136.4 | 175.9 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | V578 | V578-S616 PolarHBondContact N-O 2.72Å |
| 617 | Y | 89.8 | Confident | 90 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 164.5 | -176.1 | -63.3 | -84.8 | 0 | 0 | 0 | 110.7 | P540 F541 V543 V575 Y576 K577 V594 L612 P613 G615 | P540-Y617 CarbonylContact C-O 3.48Å; P540-Y617 VanDerWaalsContact CA-O 3.26Å; P540-Y617 WeakPolarHBondContact CA-O 3.41Å; F541-Y617 VanDerWaalsContact CE1-CB 3.47Å; F541-Y617 HydrophobicContact CE2-CD2 4.06Å; F541-Y617 HydrophobicContact CE2-CG 4.17Å; F541-Y617 HydrophobicContact CZ-CD2 4.37Å; F541-Y617 HydrophobicContact CZ-CG 4.01Å; F541-Y617 PolarHBondContact N-O 3.15Å; F541-Y617 PolarHBondContact O-N 3.2Å; F541-Y617 VanDerWaalsContact O-O 3.1Å; V543-Y617 HydrophobicContact CB-CE2 4.2Å; V543-Y617 HydrophobicContact CG2-CD2 3.94Å; V543-Y617 HydrophobicContact CG2-CE2 3.88Å; V575-Y617 HydrophobicContact CG1-CD1 4.21Å; V575-Y617 HydrophobicContact CG1-CG 4.49Å; Y576-Y617 CarbonylContact O-C 3.38Å; Y576-Y617 WeakPolarHBondContact O-CA 3.44Å; K577-Y617 HydrophobicContact CB-CD1 4.02Å; K577-Y617 HydrophobicContact CB-CE1 3.81Å; K577-Y617 HydrophobicContact CD-CE1 4.15Å; K577-Y617 HydrophobicContact CG-CD1 4.19Å; K577-Y617 HydrophobicContact CG-CE1 3.72Å; V594-Y617 HydrophobicContact CG2-CD1 3.91Å; V594-Y617 HydrophobicContact CG2-CE1 3.94Å; L612-Y617 HydrophobicContact CB-CE1 4.42Å; L612-Y617 HydrophobicContact CB-CE2 4.1Å; L612-Y617 HydrophobicContact CD1-CD1 4.17Å; L612-Y617 HydrophobicContact CD1-CD2 4.32Å; L612-Y617 HydrophobicContact CD1-CE1 4.3Å; L612-Y617 HydrophobicContact CD1-CE2 4.43Å; L612-Y617 HydrophobicContact CD1-CG 4.2Å; L612-Y617 HydrophobicContact CD2-CE1 4.29Å; P613-Y617 VanDerWaalsContact CD-OH 3.29Å; P613-Y617 WeakPolarHBondContact CD-OH 3.34Å; P613-Y617 WeakPolarHBondContact CG-OH 3.33Å; P613-Y617 VanDerWaalsContact O-CE2 3.26Å; P613-Y617 WeakPolarHBondContact O-CE2 3.49Å; P613-Y617 PolarHBondContact O-OH 2.76Å; G615-Y617 WeakPolarHBondContact O-CD2 3.48Å; G615-Y617 WeakPolarHBondContact O-CE2 3.44Å |
| 618 | T | 89.9 | Confident | 90.1 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 133.3 | 170.5 | -109.9 | 0 | 0 | 0 | 0 | 109.5 | C538 F539 P540 V575 Y576 V620 | C538-T618 HydrophobicContact CB-CG2 4.01Å; F539-T618 WeakPolarHBondContact O-CA 2.85Å; P540-T618 WeakPolarHBondContact CA-OG1 3.24Å; V575-T618 CarbonylContact C-O 3.55Å; V575-T618 WeakPolarHBondContact CA-O 3.49Å; Y576-T618 PolarHBondContact N-O 2.85Å; Y576-T618 PolarHBondContact O-N 2.83Å; T618-V620 HydrophobicContact CG2-CG2 3.68Å |
| 619 | V | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 134.3 | 168.8 | 62.1 | 0 | 0 | 0 | 0 | 110.2 | F539 F541 I557 F573 H574 V575 I634 | F539-V619 HydrophobicContact CB-CG1 3.76Å; F539-V619 HydrophobicContact CD2-CG1 4.43Å; F539-V619 PolarHBondContact N-O 2.82Å; F539-V619 PolarHBondContact O-N 3.32Å; F541-V619 HydrophobicContact CE1-CB 4.44Å; I557-V619 HydrophobicContact CD1-CB 4.46Å; I557-V619 HydrophobicContact CD1-CG2 4.36Å; I557-V619 HydrophobicContact CG2-CG2 4.22Å; F573-V619 HydrophobicContact CB-CG2 4.1Å; F573-V619 HydrophobicContact CD2-CG2 3.78Å; F573-V619 HydrophobicContact CG-CG2 4.15Å; H574-V619 WeakPolarHBondContact O-CA 3.3Å; V575-V619 HydrophobicContact CG2-CG2 4.42Å; V619-I634 HydrophobicContact CG1-CD1 3.94Å; V619-I634 HydrophobicContact CG1-CG2 4.44Å; V619-I634 HydrophobicContact CG2-CD1 4.49Å |
| 620 | V | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 93.4 | 179.5 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | Y533 N536 F573 H574 Y576 T618 | Y533-V620 HydrophobicContact CE1-CG1 4.27Å; Y533-V620 HydrophobicContact CE2-CG1 4.24Å; Y533-V620 WeakPolarHBondContact OH-CB 3.27Å; N536-V620 HydrophobicContact CB-CG1 3.67Å; F573-V620 WeakPolarHBondContact CA-O 3.38Å; H574-V620 PolarHBondContact N-O 3Å; H574-V620 VanDerWaalsContact N-O 3.15Å; H574-V620 PolarHBondContact O-N 3.41Å; Y576-V620 HydrophobicContact CD2-CG2 3.87Å; Y576-V620 HydrophobicContact CE2-CB 4.27Å; Y576-V620 HydrophobicContact CE2-CG2 3.85Å; T618-V620 HydrophobicContact CG2-CG2 3.68Å |
| 621 | P | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 141.1 | 172.5 | 32.9 | -40.2 | 0 | 0 | 0 | 111.8 | W518 N536 P537 F539 L559 F573 F632 I634 | W518-P621 HydrophobicContact CZ2-CB 3.96Å; W518-P621 PolarHBondContact NE1-O 2.81Å; N536-P621 WeakPolarHBondContact CB-O 3.45Å; P537-P621 VanDerWaalsContact O-CD 3.32Å; P537-P621 WeakPolarHBondContact O-CD 3.47Å; F539-P621 HydrophobicContact CD2-CG 4.2Å; F539-P621 HydrophobicContact CE2-CG 3.85Å; L559-P621 HydrophobicContact CD1-CB 3.72Å; L559-P621 HydrophobicContact CD2-CB 3.78Å; L559-P621 HydrophobicContact CG-CB 4.38Å; F573-P621 HydrophobicContact CB-CB 4.42Å; P621-F632 HydrophobicContact CB-CE2 4.11Å; P621-F632 HydrophobicContact CB-CZ 4.22Å; P621-F632 HydrophobicContact CG-CD2 4.41Å; P621-F632 HydrophobicContact CG-CE1 4.35Å; P621-F632 HydrophobicContact CG-CE2 3.53Å; P621-F632 HydrophobicContact CG-CZ 3.47Å; P621-F632 VanDerWaalsContact CG-CZ 3.47Å; P621-I634 HydrophobicContact CB-CD1 3.95Å; P621-I634 HydrophobicContact CB-CG1 4.49Å; P621-I634 HydrophobicContact CG-CD1 3.54Å; P621-I634 HydrophobicContact CG-CG1 4.48Å |
| 622 | S | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 147.9 | -177 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | G526 G572 H600 | G526-S622 WeakPolarHBondContact O-CB 3.44Å; G572-S622 PolarHBondContact N-O 3.32Å; G572-S622 PolarHBondContact O-N 3.34Å; G572-S622 PolarHBondContact O-OG 3.18Å; H600-S622 PolarHBondContact CD2-O 3.33Å; H600-S622 VanDerWaalsContact CD2-O 3.31Å; H600-S622 PolarHBondContact NE2-O 2.95Å; H600-S622 PolarHBondContact NE2-OG 2.7Å |
| 623 | T | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 161.5 | 156.6 | 50.5 | 0 | 0 | 0 | 0 | 109.9 | W518 G526 S527 H569 P570 I571 H600 Q625 C628 | W518-T623 HydrophobicContact CD2-CG2 3.84Å; W518-T623 HydrophobicContact CE3-CG2 3.65Å; W518-T623 HydrophobicContact CG-CG2 4.4Å; W518-T623 HydrophobicContact CH2-CG2 4.32Å; W518-T623 HydrophobicContact CZ2-CG2 4.46Å; W518-T623 HydrophobicContact CZ3-CG2 3.91Å; G526-T623 CarbonylContact C-O 3.27Å; G526-T623 WeakPolarHBondContact CA-O 3.15Å; S527-T623 PolarHBondContact N-O 2.93Å; H569-T623 HydrophobicContact CB-CG2 3.98Å; P570-T623 CarbonylContact O-C 3.15Å; P570-T623 WeakPolarHBondContact O-CA 3.12Å; I571-T623 HydrophobicContact CG2-CG2 4.41Å; H600-T623 VanDerWaalsContact CD2-C 3.5Å; T623-Q625 PolarHBondContact OG1-O 2.83Å; T623-C628 HydrophobicContact CG2-CB 3.76Å |
| 624 | Y | 93.8 | Very high | 91.9 | Very high | 106 Ų | 106 | 36 Ų | 36 | 42% | 0.416 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -63.9 | -52.8 | 176.9 | -177 | -110.3 | 0 | 0 | 0 | 111.8 | S527 F530 P570 H600 | S527-Y624 WeakPolarHBondContact CB-O 3.37Å; S527-Y624 PolarHBondContact N-O 3.44Å; S527-Y624 PolarHBondContact OG-O 2.69Å; F530-Y624 WeakPolarHBondContact CE2-O 3.24Å; P570-Y624 VanDerWaalsContact CG-CB 3.46Å; P570-Y624 HydrophobicContact CG-CG 4.44Å; P570-Y624 PolarHBondContact O-N 3.44Å; H600-Y624 HydrophobicContact CB-CD2 4.16Å; H600-Y624 HydrophobicContact CB-CG 4.46Å; H600-Y624 PolarHBondContact CD2-N 3.15Å |
| 625 | Q | 93.6 | Very high | 92.3 | Very high | 118 Ų | 118 | 34.4 Ų | 34.4 | 55% | 0.551 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -90 | 148.5 | 176.8 | -69 | -174.1 | -15.5 | 0 | 0 | 111.3 | T623 | T623-Q625 PolarHBondContact OG1-O 2.83Š|
| 626 | P | 93.1 | Very high | 92.4 | Very high | 34 Ų | 34 | 33.3 Ų | 33.3 | 22% | 0.221 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 166.3 | 169.1 | 29.5 | -34.4 | 0 | 0 | 0 | 111.2 | A524 F530 C628 | A524-P626 CarbonylContact O-C 3.6Å; A524-P626 WeakPolarHBondContact O-CA 3.44Å; F530-P626 HydrophobicContact CD1-CG 3.99Å; F530-P626 HydrophobicContact CE1-CG 4.16Å; F530-P626 HydrophobicContact CG-CG 4.35Å; P626-C628 PolarHBondContact O-N 3.41Å |
| 627 | D | 93.6 | Very high | 92.4 | Very high | 78 Ų | 78 | 31.3 Ų | 31.3 | 42% | 0.417 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 5.7 | 173.6 | -61.4 | -45.1 | 0 | 0 | 0 | 116.6 | E520 G521 A524 S629 | E520-D627 HydrophobicContact CB-CB 4.48Å; E520-D627 HydrophobicContact CG-CB 3.94Å; G521-D627 PolarHBondContact N-OD1 3.07Å; A524-D627 PolarHBondContact O-N 2.93Å; D627-S629 PolarHBondContact O-N 3.24Å |
| 628 | C | 91.9 | Very high | 91.9 | Very high | 19 Ų | 19 | 34 Ų | 34 | 13% | 0.128 | 17% | 0.17 | C | C | . | . | trans | -74.9 | 110.8 | 172.2 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | W518 T623 P626 | W518-C628 VanDerWaalsContact CB-O 3.23Å; W518-C628 WeakPolarHBondContact CB-O 3.47Å; T623-C628 HydrophobicContact CG2-CB 3.76Å; P626-C628 PolarHBondContact O-N 3.41Å | ||
| 629 | S | 93.2 | Very high | 91 | Very high | 50 Ų | 50 | 34.7 Ų | 34.7 | 35% | 0.35 | 17% | 0.173 | S | C | . | . | trans | -89.3 | 123.6 | -177.8 | -67.3 | 0 | 0 | 0 | 0 | 112.9 | W518 E520 R563 D627 | W518-S629 VanDerWaalsContact O-CA 3.25Å; W518-S629 WeakPolarHBondContact O-CA 3.2Å; E520-S629 PolarHBondContact N-OG 2.95Å; R563-S629 PolarHBondContact NH1-O 3.04Å; D627-S629 PolarHBondContact O-N 3.24Å | ||
| 630 | A | 92.8 | Very high | 89.5 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 155.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S517 W518 R563 | S517-A630 CarbonylContact C-O 3.5Å; S517-A630 VanDerWaalsContact CA-O 3.27Å; S517-A630 WeakPolarHBondContact CA-O 3.39Å; W518-A630 HydrophobicContact CE3-CB 3.99Å; W518-A630 HydrophobicContact CZ3-CB 4.33Å; W518-A630 PolarHBondContact N-O 2.92Å; W518-A630 PolarHBondContact O-N 3.22Å; W518-A630 VanDerWaalsContact O-N 3.13Å; R563-A630 HydrophobicContact CG-CB 3.96Å |
| 631 | K | 95.1 | Very high | 87.4 | Confident | 153 Ų | 153 | 44.3 Ų | 44.3 | 67% | 0.665 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 146.1 | 168.3 | -68 | 179.5 | -178.3 | 174.7 | 0 | 109.5 | S562 | S562-K631 PolarHBondContact N-O 3.03Å |
| 632 | F | 94.3 | Very high | 85 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 164.1 | 177.4 | 65.9 | -99 | 0 | 0 | 0 | 112.3 | G516 W518 P537 F539 L559 H560 P621 I634 | G516-F632 PolarHBondContact N-O 2.69Å; G516-F632 PolarHBondContact O-N 2.8Å; G516-F632 VanDerWaalsContact O-O 3.13Å; W518-F632 AromaticContact CD1-CE1 3.98Å; W518-F632 AromaticContact CD2-CD1 3.54Å; W518-F632 HydrophobicContact CD2-CD1 3.54Å; W518-F632 AromaticContact CD2-CE1 3.68Å; W518-F632 HydrophobicContact CD2-CE1 3.68Å; W518-F632 AromaticContact CE2-CD1 3.6Å; W518-F632 AromaticContact CE2-CE1 3.54Å; W518-F632 AromaticContact CE3-CD1 3.6Å; W518-F632 HydrophobicContact CE3-CD1 3.6Å; W518-F632 HydrophobicContact CE3-CE1 4.23Å; W518-F632 HydrophobicContact CE3-CG 4.49Å; W518-F632 HydrophobicContact CG-CD1 4.23Å; W518-F632 AromaticContact CG-CE1 3.98Å; W518-F632 HydrophobicContact CG-CE1 3.98Å; W518-F632 HydrophobicContact CH2-CB 4.06Å; W518-F632 AromaticContact CH2-CD1 3.81Å; W518-F632 HydrophobicContact CH2-CD1 3.81Å; W518-F632 HydrophobicContact CH2-CG 4.06Å; W518-F632 AromaticContact CZ2-CD1 3.76Å; W518-F632 HydrophobicContact CZ2-CD1 3.76Å; W518-F632 HydrophobicContact CZ2-CE1 4.01Å; W518-F632 HydrophobicContact CZ2-CG 4.22Å; W518-F632 HydrophobicContact CZ3-CB 4.02Å; W518-F632 AromaticContact CZ3-CD1 3.74Å; W518-F632 HydrophobicContact CZ3-CD1 3.74Å; W518-F632 HydrophobicContact CZ3-CG 4.2Å; W518-F632 AromaticContact NE1-CE1 3.7Å; P537-F632 HydrophobicContact CB-CZ 4.07Å; P537-F632 HydrophobicContact CG-CE1 4.17Å; P537-F632 HydrophobicContact CG-CZ 3.9Å; F539-F632 AromaticContact CE2-CE2 3.71Å; F539-F632 HydrophobicContact CE2-CE2 3.71Å; F539-F632 AromaticContact CE2-CZ 3.86Å; F539-F632 HydrophobicContact CE2-CZ 3.86Å; F539-F632 HydrophobicContact CZ-CE2 4Å; F539-F632 HydrophobicContact CZ-CZ 4.13Å; L559-F632 HydrophobicContact CD1-CB 3.92Å; L559-F632 HydrophobicContact CD1-CD2 3.54Å; L559-F632 HydrophobicContact CD1-CE2 4.28Å; L559-F632 HydrophobicContact CD1-CG 3.88Å; H560-F632 CarbonylContact O-C 3.58Å; H560-F632 WeakPolarHBondContact O-CA 3.5Å; H560-F632 WeakPolarHBondContact O-CB 3.4Å; P621-F632 HydrophobicContact CB-CE2 4.11Å; P621-F632 HydrophobicContact CB-CZ 4.22Å; P621-F632 HydrophobicContact CG-CD2 4.41Å; P621-F632 HydrophobicContact CG-CE1 4.35Å; P621-F632 HydrophobicContact CG-CE2 3.53Å; P621-F632 HydrophobicContact CG-CZ 3.47Å; P621-F632 VanDerWaalsContact CG-CZ 3.47Å; F632-I634 HydrophobicContact CD2-CG1 4.24Å; F632-I634 HydrophobicContact CE2-CD1 4.03Å; F632-I634 HydrophobicContact CE2-CG1 4.19Å |
| 633 | I | 92.3 | Very high | 82.1 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 20% | 0.195 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130 | 173.9 | -55 | -179.8 | 0 | 0 | 0 | 107.8 | F513 F514 R515 H560 | F513-I633 HydrophobicContact CD1-CG2 4.19Å; F514-I633 CarbonylContact O-C 3.51Å; F514-I633 WeakPolarHBondContact O-CA 3.48Å; R515-I633 HydrophobicContact CG-CG1 4.36Å; H560-I633 HydrophobicContact CB-CB 4.44Å; H560-I633 PolarHBondContact N-O 3.3Å; H560-I633 PolarHBondContact O-N 2.77Å |
| 634 | I | 87.9 | Confident | 79 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.5 | 165 | -66.2 | 163.5 | 0 | 0 | 0 | 108.5 | F513 F514 F539 I557 T558 L559 V619 P621 F632 | F513-I634 CarbonylContact C-O 3.56Å; F513-I634 VanDerWaalsContact CA-O 3.29Å; F513-I634 WeakPolarHBondContact CA-O 3.26Å; F514-I634 HydrophobicContact CB-CB 4.32Å; F514-I634 HydrophobicContact CD2-CB 4.47Å; F514-I634 HydrophobicContact CD2-CG2 4.36Å; F514-I634 PolarHBondContact N-O 3.5Å; F514-I634 PolarHBondContact O-N 2.9Å; F539-I634 HydrophobicContact CD2-CD1 3.44Å; F539-I634 VanDerWaalsContact CD2-CD1 3.44Å; F539-I634 HydrophobicContact CE2-CD1 3.71Å; F539-I634 HydrophobicContact CG-CD1 4.27Å; I557-I634 HydrophobicContact CG2-CG2 3.84Å; T558-I634 CarbonylContact O-C 3.51Å; T558-I634 VanDerWaalsContact O-CA 3.28Å; T558-I634 WeakPolarHBondContact O-CA 3.44Å; L559-I634 HydrophobicContact CD1-CG1 3.78Å; V619-I634 HydrophobicContact CG1-CD1 3.94Å; V619-I634 HydrophobicContact CG1-CG2 4.44Å; V619-I634 HydrophobicContact CG2-CD1 4.49Å; P621-I634 HydrophobicContact CB-CD1 3.95Å; P621-I634 HydrophobicContact CB-CG1 4.49Å; P621-I634 HydrophobicContact CG-CD1 3.54Å; P621-I634 HydrophobicContact CG-CG1 4.48Å; F632-I634 HydrophobicContact CD2-CG1 4.24Å; F632-I634 HydrophobicContact CE2-CD1 4.03Å; F632-I634 HydrophobicContact CE2-CG1 4.19Å |
| 635 | S | 90.3 | Very high | 76 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 20% | 0.203 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 116.6 | 164.3 | -177 | 0 | 0 | 0 | 0 | 108.5 | T511 F513 I557 T558 | T511-S635 WeakPolarHBondContact CG2-OG 3.25Å; F513-S635 WeakPolarHBondContact CE1-OG 3.33Å; I557-S635 CarbonylContact C-O 3.51Å; I557-S635 VanDerWaalsContact CA-O 3.3Å; I557-S635 WeakPolarHBondContact CA-O 3.11Å; T558-S635 PolarHBondContact N-O 3.47Å; T558-S635 PolarHBondContact O-N 2.85Å |
| 636 | L | 86.4 | Confident | 73.2 | Confident | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.016 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 106.9 | 176.4 | 171.4 | 71.9 | 0 | 0 | 0 | 108.7 | T511 S512 F514 F541 V555 R556 I557 | T511-L636 CarbonylContact C-O 3.48Å; T511-L636 VanDerWaalsContact CA-O 3.29Å; T511-L636 WeakPolarHBondContact CA-O 3.21Å; S512-L636 PolarHBondContact N-O 3.02Å; S512-L636 PolarHBondContact O-N 3.2Å; F514-L636 HydrophobicContact CE2-CB 4.06Å; F514-L636 HydrophobicContact CE2-CD2 3.94Å; F541-L636 HydrophobicContact CB-CD2 3.27Å; F541-L636 HydrophobicContact CD1-CD1 4.45Å; F541-L636 HydrophobicContact CD1-CD2 3.95Å; F541-L636 HydrophobicContact CD2-CD1 4.14Å; F541-L636 HydrophobicContact CD2-CD2 3.75Å; F541-L636 HydrophobicContact CE1-CD1 4.43Å; F541-L636 HydrophobicContact CE2-CD1 4.12Å; F541-L636 HydrophobicContact CG-CD1 4.3Å; F541-L636 HydrophobicContact CG-CD2 3.4Å; F541-L636 VanDerWaalsContact CG-CD2 3.4Å; F541-L636 HydrophobicContact CZ-CD1 4.26Å; V555-L636 HydrophobicContact CG1-CD1 3.68Å; R556-L636 CarbonylContact O-C 3.54Å; R556-L636 WeakPolarHBondContact O-CA 3.31Å; I557-L636 HydrophobicContact CD1-CD1 4.02Å; I557-L636 HydrophobicContact CG1-CD1 3.58Å |
| 637 | A | 83.8 | Confident | 70.4 | Confident | 4 Ų | 4 | 77.5 Ų | 77.5 | 3% | 0.033 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 128.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | W509 E510 T511 V555 R556 | W509-A637 HydrophobicContact CE3-CB 3.9Å; E510-A637 CarbonylContact O-C 3.33Å; E510-A637 VanDerWaalsContact O-CA 3.3Å; E510-A637 WeakPolarHBondContact O-CA 3.46Å; T511-A637 HydrophobicContact CG2-CB 4.3Å; T511-A637 WeakPolarHBondContact OG1-CB 3.28Å; V555-A637 CarbonylContact C-O 3.52Å; V555-A637 WeakPolarHBondContact CA-O 3.2Å; R556-A637 HydrophobicContact CB-CB 4.25Å; R556-A637 PolarHBondContact N-O 3Å; R556-A637 PolarHBondContact O-N 3.3Å |
| 638 | R | 79.1 | Confident | 67.7 | Low | 58 Ų | 58 | 79 Ų | 79 | 22% | 0.219 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.8 | 173.2 | 63.1 | 179.3 | -179.4 | -171.1 | -2.6 | 110.3 | W509 E510 A542 N554 I640 | W509-R638 CarbonylContact C-O 3.55Å; W509-R638 VanDerWaalsContact CA-O 3.3Å; W509-R638 WeakPolarHBondContact CA-O 3.42Å; E510-R638 HydrophobicContact CB-CG 4.11Å; E510-R638 PolarHBondContact N-O 3.01Å; E510-R638 PolarHBondContact O-N 3.29Å; E510-R638 IonicContact OE1-NH2 3.71Å; E510-R638 IonicContact OE2-CZ 3.13Å; E510-R638 IonicContact OE2-NE 2.77Å; E510-R638 PolarHBondContact OE2-NE 3.45Å; E510-R638 IonicContact OE2-NH2 2.68Å; E510-R638 PolarHBondContact OE2-NH2 3.29Å; A542-R638 PolarHBondContact O-NH1 3Å; N554-R638 WeakPolarHBondContact O-CA 3.5Å; R638-I640 HydrophobicContact CG-CG2 4.27Å |
| 639 | K | 71.4 | Confident | 65.4 | Low | 24 Ų | 24 | 79.1 Ų | 79.1 | 10% | 0.104 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 137.9 | 173.7 | -157.8 | 170.3 | 174.4 | 170.1 | 0 | 109.2 | D506 G507 E508 W509 N554 | D506-K639 WeakPolarHBondContact O-CE 3.44Å; D506-K639 PolarHBondContact O-NZ 3.02Å; D506-K639 IonicContact OD1-NZ 2.79Å; D506-K639 PolarHBondContact OD1-NZ 3.45Å; G507-K639 VanDerWaalsContact CA-CE 3.49Å; E508-K639 CarbonylContact O-C 3.57Å; E508-K639 WeakPolarHBondContact O-CA 3.4Å; W509-K639 HydrophobicContact CD2-CB 4.38Å; W509-K639 HydrophobicContact CE3-CB 4.49Å; W509-K639 HydrophobicContact CZ2-CB 4.41Å; W509-K639 HydrophobicContact CZ2-CD 4.46Å; N554-K639 HydrophobicContact CB-CB 4.29Å; N554-K639 PolarHBondContact O-N 3.19Å |
| 640 | I | 61.7 | Low | 62.9 | Low | 36 Ų | 36 | 82.5 Ų | 82.5 | 19% | 0.185 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152.4 | 176 | 58.6 | 157.9 | 0 | 0 | 0 | 110.7 | E508 E510 R638 | E508-I640 HydrophobicContact CB-CG1 4.31Å; E508-I640 PolarHBondContact N-O 3.01Å; E508-I640 PolarHBondContact O-N 2.86Å; E508-I640 VanDerWaalsContact O-O 3.08Å; E510-I640 HydrophobicContact CB-CD1 3.75Å; E510-I640 HydrophobicContact CB-CG1 3.89Å; E510-I640 HydrophobicContact CB-CG2 3.87Å; E510-I640 HydrophobicContact CG-CD1 4.45Å; R638-I640 HydrophobicContact CG-CG2 4.27Å |
| 641 | H | 51.3 | Low | 60.1 | Low | 166 Ų | 166 | 83.8 Ų | 83.8 | 77% | 0.769 | 40% | 0.403 | S | S | * | . | trans | -109.8 | 108.6 | 170.3 | -114 | 78 | 0 | 0 | 0 | 110.4 | ||||
| 642 | R | 46.2 | Very low | 57.5 | Low | 203 Ų | 203 | 79.4 Ų | 79.4 | 77% | 0.766 | 40% | 0.402 | S | S | * | . | trans | -134.6 | 145.4 | 170.6 | -80.5 | -170.9 | 171.8 | 169.7 | 0.1 | 113 | ||||
| 643 | K | 36.1 | Very low | 54.8 | Low | 205 Ų | 205 | 81.9 Ų | 81.9 | 89% | 0.891 | 42% | 0.419 | S | S | * | . | trans | -67.8 | 141.2 | 178.6 | -79.4 | -179.9 | 175.5 | 176.2 | 0 | 112.2 | ||||
| 644 | V | 31 | Very low | 52 | Low | 142 Ų | 142 | 82.3 Ų | 82.3 | 86% | 0.861 | 43% | 0.428 | S | S | * | . | trans | -25.2 | 126 | -178.4 | -173.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 645 | V | 31.5 | Very low | 49.7 | Very low | 125 Ų | 125 | 85.1 Ų | 85.1 | 76% | 0.758 | 44% | 0.443 | S | S | * | . | trans | -109.4 | 138.7 | 170.9 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 646 | K | 33.6 | Very low | 46.9 | Very low | 193 Ų | 193 | 90.2 Ų | 90.2 | 84% | 0.839 | 46% | 0.463 | S | S | * | . | trans | -98.4 | 129.4 | 173.8 | -75.4 | 178.3 | 177.2 | 172.3 | 0 | 110.3 | ||||
| 647 | S | 34 | Very low | 44.3 | Very low | 88 Ų | 88 | 98.5 Ų | 98.5 | 62% | 0.615 | 50% | 0.502 | S | S | * | . | trans | -79.5 | 146.7 | 176.5 | 62.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 648 | Q | 37.5 | Very low | 41.8 | Very low | 109 Ų | 109 | 102.8 Ų | 102.8 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | trans | -128.4 | 123.3 | 172.2 | -68.6 | -170.4 | 9.5 | 0 | 0 | 109.9 | ||||
| 649 | E | 44.2 | Very low | 39.4 | Very low | 22 Ų | 22 | 105.2 Ų | 105.2 | 10% | 0.103 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 142.6 | 179.8 | -66.7 | 174.8 | -173.9 | 0 | 0 | 111.2 | R429 F430 | R429-E649 VanDerWaalsContact CA-O 3.31Å; R429-E649 WeakPolarHBondContact CA-O 3.33Å; F430-E649 VanDerWaalsContact CE2-OE2 3.26Å; F430-E649 WeakPolarHBondContact CE2-OE2 3.37Å; F430-E649 HydrophobicContact CZ-CB 4.45Å; F430-E649 WeakPolarHBondContact CZ-OE2 3.26Å |
| 650 | K | 40.5 | Very low | 37.5 | Very low | 121 Ų | 121 | 111.1 Ų | 111.1 | 53% | 0.526 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.1 | 138.8 | 174.2 | -82 | -178.3 | -175 | 173.7 | 0 | 111.6 | K428 R429 G652 S653 | K428-K650 VanDerWaalsContact O-CA 3.31Å; K428-K650 WeakPolarHBondContact O-CA 3.47Å; R429-K650 HydrophobicContact CG-CG 3.91Å; K650-G652 PolarHBondContact O-N 3.17Å; K650-S653 PolarHBondContact O-OG 3.33Å |
| 651 | L | 33.9 | Very low | 35.9 | Very low | 37 Ų | 37 | 116.7 Ų | 116.7 | 19% | 0.194 | 61% | 0.61 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -55.8 | 125 | 179.8 | -155.5 | 79.4 | 0 | 0 | 0 | 113 | W374 V425 K428 Y463 S653 | W374-L651 HydrophobicContact CH2-CD1 3.94Å; W374-L651 HydrophobicContact CZ2-CD1 4.42Å; W374-L651 HydrophobicContact CZ3-CD1 4.12Å; V425-L651 HydrophobicContact CB-CD1 4.42Å; V425-L651 HydrophobicContact CG1-CD1 3.94Å; K428-L651 HydrophobicContact CG-CB 4.49Å; K428-L651 HydrophobicContact CG-CD2 4.24Å; K428-L651 PolarHBondContact O-N 3.34Å; Y463-L651 HydrophobicContact CD1-CD1 4.09Å; Y463-L651 HydrophobicContact CD1-CD2 4.05Å; Y463-L651 HydrophobicContact CD1-CG 3.85Å; Y463-L651 HydrophobicContact CD2-CD1 4.24Å; Y463-L651 HydrophobicContact CD2-CD2 3.37Å; Y463-L651 HydrophobicContact CD2-CG 4.05Å; Y463-L651 HydrophobicContact CE1-CD2 4.07Å; Y463-L651 HydrophobicContact CE1-CG 4.07Å; Y463-L651 HydrophobicContact CE2-CD2 3.39Å; Y463-L651 HydrophobicContact CE2-CG 4.25Å; Y463-L651 HydrophobicContact CG-CD1 3.77Å; Y463-L651 HydrophobicContact CG-CD2 3.7Å; Y463-L651 HydrophobicContact CG-CG 3.82Å; L651-S653 PolarHBondContact O-N 3.19Å |
| 652 | G | 41.5 | Very low | 34.6 | Very low | 62 Ų | 62 | 114.4 Ų | 114.4 | 64% | 0.639 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.3 | 8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | K650 | K650-G652 PolarHBondContact O-N 3.17Š|
| 653 | S | 36.7 | Very low | 33.8 | Very low | 53 Ų | 53 | 110.2 Ų | 110.2 | 37% | 0.371 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -125 | 157.1 | 176.5 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | K650 L651 | K650-S653 PolarHBondContact O-OG 3.33Å; L651-S653 PolarHBondContact O-N 3.19Å |
| 654 | A | 34.3 | Very low | 33.2 | Very low | 47 Ų | 47 | 109.1 Ų | 109.1 | 39% | 0.388 | 61% | 0.609 | S | S | . | * | trans | -58.8 | 148 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | H656 | A654-H656 PolarHBondContact O-CD2 2.84Å; A654-H656 PolarHBondContact O-N 3.26Å | ||
| 655 | I | 38.4 | Very low | 33.1 | Very low | 60 Ų | 60 | 111.8 Ų | 111.8 | 31% | 0.308 | 61% | 0.609 | S | S | . | * | trans | -58.9 | 121 | -179.2 | -56.4 | -174.8 | 0 | 0 | 0 | 108.7 | ||||
| 656 | H | 31.4 | Very low | 33.2 | Very low | 136 Ų | 136 | 115.8 Ų | 115.8 | 63% | 0.63 | 63% | 0.634 | S | S | * | * | trans | -112.1 | 113 | 171.4 | -82.1 | -69.9 | 0 | 0 | 0 | 108.8 | A654 V658 | A654-H656 PolarHBondContact O-CD2 2.84Å; A654-H656 PolarHBondContact O-N 3.26Å; H656-V658 PolarHBondContact O-N 2.92Å | ||
| 657 | E | 32.8 | Very low | 33.2 | Very low | 178 Ų | 178 | 111.9 Ų | 111.9 | 83% | 0.832 | 62% | 0.623 | S | S | * | * | trans | -68.9 | 125 | 165.9 | -71.6 | -177.5 | 162.5 | 0 | 0 | 109 | ||||
| 658 | V | 30.3 | Very low | 33.1 | Very low | 94 Ų | 94 | 113.2 Ų | 113.2 | 57% | 0.57 | 62% | 0.624 | S | S | * | * | trans | -124.4 | 114 | 172.2 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | H656 | H656-V658 PolarHBondContact O-N 2.92Š| ||
| 659 | S | 30 | Very low | 32.9 | Very low | 109 Ų | 109 | 113.4 Ų | 113.4 | 76% | 0.762 | 63% | 0.63 | S | S | * | * | trans | -74.9 | 121.3 | 172.1 | 52 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 660 | H | 30.8 | Very low | 32.2 | Very low | 147 Ų | 147 | 118.8 Ų | 118.8 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | trans | -111.6 | 126.7 | 165.6 | -78.4 | -69.8 | 0 | 0 | 0 | 110.2 | ||||
| 661 | I | 27.5 | Very low | 31.7 | Very low | 154 Ų | 154 | 118.6 Ų | 118.6 | 79% | 0.79 | 67% | 0.67 | S | S | * | * | trans | -85.7 | 109.8 | 170.6 | -58 | 173.1 | 0 | 0 | 0 | 106.9 | V663 | I661-V663 HydrophobicContact CG2-CG2 3.81Š| ||
| 662 | S | 25.2 | Very low | 31.6 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -88.1 | 105.3 | 164.2 | -65.2 | 0 | 0 | 0 | 0 | 108.1 | M664 | S662-M664 PolarHBondContact O-N 3.2Š| ||
| 663 | V | 27.8 | Very low | 30.9 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | trans | -82.3 | 107.1 | 168.4 | -174.6 | 0 | 0 | 0 | 0 | 107.3 | I661 K665 | I661-V663 HydrophobicContact CG2-CG2 3.81Å; V663-K665 PolarHBondContact O-N 3.23Å | ||
| 664 | M | 24.5 | Very low | 30.4 | Very low | 182 Ų | 182 | 134.3 Ų | 134.3 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | trans | -72.1 | 111.2 | 159.5 | -95.5 | 178.4 | 166.6 | 0 | 0 | 106.9 | S662 T666 | S662-M664 PolarHBondContact O-N 3.2Å; M664-T666 PolarHBondContact O-N 2.88Å | ||
| 665 | K | 28.2 | Very low | 30.1 | Very low | 199 Ų | 199 | 141.6 Ų | 141.6 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | trans | -71.8 | 113.4 | 161.7 | -79.9 | -175.8 | 174.6 | -177.4 | 0 | 107.2 | V663 | V663-K665 PolarHBondContact O-N 3.23Š| ||
| 666 | T | 34.2 | Very low | 29.3 | Very low | 208 Ų | 208 | 149 Ų | 149 | 100% | 1.276 | 80% | 0.802 | S | S | * | * | trans | -76 | 0 | 156.5 | 44.5 | 0 | 0 | 0 | 0 | 110 | M664 | M664-T666 PolarHBondContact O-N 2.88Š|
Retrieved 666 of 666 residues in 885.1 ms
(Link to these results)