| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.6 | Very low | 44.1 | Very low | 227 Ų | 227 | 142.8 Ų | 142.8 | 100% | 1.118 | 77% | 0.773 | S | S | * | * | 0 | 45.4 | 0 | -158.4 | -178.1 | -66.5 | 0 | 0 | 111.4 | |||||
| 2 | W | 46.3 | Very low | 43.4 | Very low | 232 Ų | 232 | 139.1 Ų | 139.1 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | -142.6 | 7.9 | -173 | -70.6 | 99 | 0 | 0 | 0 | 114.2 | ||||
| 3 | A | 44.7 | Very low | 43.3 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -97.8 | -13.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 4 | L | 46.8 | Very low | 43.2 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -96.3 | -13.8 | -176.2 | -79 | 161.3 | 0 | 0 | 0 | 113.8 | ||
| 5 | T | 48.4 | Very low | 43.1 | Very low | 93 Ų | 93 | 129.7 Ų | 129.7 | 57% | 0.571 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -82 | -22.8 | 179.6 | 41.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 6 | A | 44.1 | Very low | 43 | Very low | 74 Ų | 74 | 132 Ų | 132 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -75 | -21.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 7 | L | 41.3 | Very low | 43.1 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -84.4 | -8.1 | -175.1 | -149.5 | 72.5 | 0 | 0 | 0 | 113.8 | ||
| 8 | L | 43.3 | Very low | 43.6 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -95.1 | 0.4 | -178 | -86.4 | 157.9 | 0 | 0 | 0 | 114.4 | ||
| 9 | L | 42.7 | Very low | 44.7 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -106.4 | 7.2 | -179.6 | -69.9 | 174.3 | 0 | 0 | 0 | 114.5 | ||
| 10 | L | 42.7 | Very low | 46.4 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | -102.6 | 8.7 | 177.3 | -80.9 | 171.2 | 0 | 0 | 0 | 114.7 | S12 | L10-S12 PolarHBondContact O-N 3.37Å; L10-S12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | V | 39 | Very low | 48.3 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | -87.8 | 68.7 | 163 | -169.5 | 0 | 0 | 0 | 0 | 108.7 | S13 | V11-S13 PolarHBondContact O-N 3.42Š| ||
| 12 | S | 36.5 | Very low | 50.4 | Low | 98 Ų | 98 | 118.3 Ų | 118.3 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | trans | -59.1 | 105 | 159.4 | -70.6 | 0 | 0 | 0 | 0 | 107.1 | L10 S14 | L10-S12 PolarHBondContact O-N 3.37Å; L10-S12 VanDerWaalsContact O-N 3.16Å; S12-S14 PolarHBondContact O-N 3.33Å | ||
| 13 | S | 41 | Very low | 52.6 | Low | 113 Ų | 113 | 107.4 Ų | 107.4 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | trans | -70.8 | 73.1 | 172.8 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | V11 G15 | V11-S13 PolarHBondContact O-N 3.42Å; S13-G15 PolarHBondContact O-N 3.09Å | ||
| 14 | S | 43.1 | Very low | 54.9 | Low | 95 Ų | 95 | 108.9 Ų | 108.9 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | trans | -69.8 | 61.8 | 160.6 | 63.3 | 0 | 0 | 0 | 0 | 109 | S12 Q16 | S12-S14 PolarHBondContact O-N 3.33Å; S14-Q16 PolarHBondContact O-N 3.16Å | ||
| 15 | G | 41.2 | Very low | 57.3 | Low | 68 Ų | 68 | 102.4 Ų | 102.4 | 70% | 0.701 | 62% | 0.617 | S | S | * | * | trans | -68.4 | 65.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | S13 A17 | S13-G15 PolarHBondContact O-N 3.09Å; G15-A17 PolarHBondContact O-N 3.38Å | ||
| 16 | Q | 41.9 | Very low | 59.5 | Low | 167 Ų | 167 | 99.1 Ų | 99.1 | 78% | 0.78 | 60% | 0.598 | S | S | * | * | trans | -56.5 | 96.3 | 150.4 | -110.3 | 84.9 | 10.5 | 0 | 0 | 105.1 | S14 A18 | S14-Q16 PolarHBondContact O-N 3.16Å; Q16-A18 VanDerWaalsContact C-N 3.32Å; Q16-A18 PolarHBondContact O-N 3.15Å | ||
| 17 | A | 43.5 | Very low | 62.1 | Low | 87 Ų | 87 | 96 Ų | 96 | 72% | 0.719 | 57% | 0.571 | S | S | * | * | trans | -56.5 | 106.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | G15 T19 | G15-A17 PolarHBondContact O-N 3.38Å; A17-T19 VanDerWaalsContact C-N 3.35Å; A17-T19 PolarHBondContact O-N 2.91Å | ||
| 18 | A | 53.2 | Low | 64.7 | Low | 94 Ų | 94 | 95.5 Ų | 95.5 | 78% | 0.777 | 57% | 0.565 | S | S | * | * | trans | -61.3 | 101.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q16 L20 | Q16-A18 VanDerWaalsContact C-N 3.32Å; Q16-A18 PolarHBondContact O-N 3.15Å; A18-L20 PolarHBondContact O-N 3.34Å | ||
| 19 | T | 64.3 | Low | 67.2 | Low | 130 Ų | 130 | 91.3 Ų | 91.3 | 80% | 0.798 | 55% | 0.546 | S | S | * | . | trans | -65.8 | 101.9 | -179.5 | 48.2 | 0 | 0 | 0 | 0 | 107.1 | A17 E21 | A17-T19 VanDerWaalsContact C-N 3.35Å; A17-T19 PolarHBondContact O-N 2.91Å; T19-E21 PolarHBondContact O-N 2.96Å | ||
| 20 | L | 78.3 | Confident | 69.7 | Low | 52 Ų | 52 | 86.9 Ų | 86.9 | 27% | 0.272 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 129.1 | -173.7 | -161.4 | 67.3 | 0 | 0 | 0 | 108.9 | A18 Y47 A90 P91 | A18-L20 PolarHBondContact O-N 3.34Å; L20-Y47 HydrophobicContact CD1-CD1 3.79Å; L20-Y47 HydrophobicContact CD1-CG 3.91Å; L20-Y47 HydrophobicContact CD2-CD1 3.94Å; L20-Y47 HydrophobicContact CD2-CG 4.48Å; L20-Y47 HydrophobicContact CG-CD1 4.49Å; L20-A90 HydrophobicContact CD2-CB 3.93Å; L20-A90 HydrophobicContact CG-CB 4.33Å; L20-P91 WeakPolarHBondContact O-CD 3.5Å |
| 21 | E | 86 | Confident | 72.3 | Confident | 155 Ų | 155 | 81.7 Ų | 81.7 | 72% | 0.724 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -60 | 146.1 | 179.4 | -80.3 | -64.5 | 167.7 | 0 | 0 | 111.4 | T19 | T19-E21 PolarHBondContact O-N 2.96Š|
| 22 | K | 90.8 | Very high | 74.9 | Confident | 81 Ų | 81 | 76.6 Ų | 76.6 | 35% | 0.352 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 141.9 | 179.1 | 70.8 | -174.5 | -176.5 | 178.4 | 0 | 110.2 | P91 D94 | K22-P91 HydrophobicContact CB-CB 4.02Å; K22-P91 HydrophobicContact CB-CG 4.39Å; K22-D94 VanDerWaalsContact CE-OD2 3.31Å; K22-D94 WeakPolarHBondContact CE-OD2 3.33Å; K22-D94 IonicContact NZ-OD1 3.23Å; K22-D94 PolarHBondContact NZ-OD1 3.01Å; K22-D94 IonicContact NZ-OD2 3.9Å; K22-D94 PolarHBondContact NZ-OD2 2.88Å |
| 23 | P | 92.5 | Very high | 77.8 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 3% | 0.026 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 147.8 | -179.2 | 29.9 | -31.9 | 0 | 0 | 0 | 110.9 | D45 T87 P91 S93 | P23-D45 CarbonylContact C-O 3.52Å; P23-D45 WeakPolarHBondContact CA-O 3.41Å; P23-D45 WeakPolarHBondContact CB-O 3.28Å; P23-T87 HydrophobicContact CB-CG2 4.07Å; P23-P91 WeakPolarHBondContact CD-O 3.49Å; P23-S93 WeakPolarHBondContact O-CB 3.4Å |
| 24 | I | 93.4 | Very high | 80.5 | Confident | 122 Ų | 122 | 67.3 Ų | 67.3 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 112.6 | 177.2 | -57.9 | 175.2 | 0 | 0 | 0 | 107.9 | D45 | I24-D45 PolarHBondContact N-O 2.83Å; I24-D45 PolarHBondContact O-N 3.34Å |
| 25 | L | 95.3 | Very high | 83.1 | Confident | 14 Ų | 14 | 63 Ų | 63 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 126.5 | 169.7 | 179.4 | 58.1 | 0 | 0 | 0 | 109.3 | L42 W61 Y83 C85 I96 | L25-L42 HydrophobicContact CD1-CB 4.25Å; L25-L42 HydrophobicContact CD1-CD2 4.15Å; L25-W61 HydrophobicContact CD1-CH2 3.65Å; L25-W61 HydrophobicContact CD1-CZ3 3.48Å; L25-W61 VanDerWaalsContact CD1-CZ3 3.48Å; L25-Y83 WeakPolarHBondContact CD2-O 3.46Å; L25-C85 HydrophobicContact CD1-CB 4.44Å; L25-I96 HydrophobicContact CB-CD1 4.49Å; L25-I96 HydrophobicContact CD2-CB 4.15Å; L25-I96 HydrophobicContact CD2-CD1 4.15Å; L25-I96 HydrophobicContact CD2-CG1 3.9Å; L25-I96 HydrophobicContact CG-CD1 3.75Å; L25-I96 HydrophobicContact CG-CG1 4.02Å |
| 26 | S | 96.5 | Very high | 85.7 | Confident | 24 Ų | 24 | 66.9 Ų | 66.9 | 17% | 0.168 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 150.9 | 178.5 | 60 | 0 | 0 | 0 | 0 | 111.5 | L42 K43 Y111 | S26-L42 CarbonylContact O-C 3.53Å; S26-L42 WeakPolarHBondContact O-CA 3.44Å; S26-K43 PolarHBondContact N-O 2.59Å; S26-K43 PolarHBondContact O-N 2.76Å; S26-K43 WeakPolarHBondContact OG-CB 3.07Å; S26-K43 PolarHBondContact OG-O 3.19Å; S26-Y111 WeakPolarHBondContact CA-OH 3.46Å; S26-Y111 WeakPolarHBondContact CB-OH 3.46Å |
| 27 | L | 96.8 | Very high | 88.1 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.2 | -178.8 | 178.3 | 70.1 | 0 | 0 | 0 | 110 | P29 P30 W31 V40 L42 I96 L98 Y111 | L27-P29 CarbonylContact C-O 3.58Å; L27-P29 WeakPolarHBondContact CG-O 3.48Å; L27-P30 WeakPolarHBondContact O-CA 3.5Å; L27-W31 VanDerWaalsContact CD2-O 3.28Å; L27-W31 WeakPolarHBondContact CD2-O 3.47Å; L27-V40 HydrophobicContact CD1-CB 3.84Å; L27-V40 HydrophobicContact CD1-CG2 3.65Å; L27-L42 HydrophobicContact CB-CD2 4.12Å; L27-L42 HydrophobicContact CD1-CD2 3.54Å; L27-L42 HydrophobicContact CD1-CG 4.12Å; L27-L42 HydrophobicContact CG-CD2 4.41Å; L27-I96 HydrophobicContact CB-CD1 3.81Å; L27-I96 HydrophobicContact CD2-CG2 4.1Å; L27-L98 HydrophobicContact CD2-CD1 4.4Å; L27-Y111 HydrophobicContact CB-CD1 3.79Å; L27-Y111 HydrophobicContact CB-CD2 4.4Å; L27-Y111 HydrophobicContact CB-CE1 3.95Å; L27-Y111 HydrophobicContact CB-CG 4.01Å; L27-Y111 HydrophobicContact CD2-CD1 4.39Å; L27-Y111 HydrophobicContact CD2-CG 4.44Å; L27-Y111 WeakPolarHBondContact O-CE1 3.39Å |
| 28 | H | 96.7 | Very high | 90.6 | Very high | 131 Ų | 131 | 60.4 Ų | 60.4 | 61% | 0.606 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 126.7 | 177.4 | -174.3 | 84.2 | 0 | 0 | 0 | 111.6 | T41 | H28-T41 PolarHBondContact N-O 3.02Å; H28-T41 PolarHBondContact O-N 2.74Å |
| 29 | P | 95.7 | Very high | 92.7 | Very high | 55 Ų | 55 | 62.9 Ų | 62.9 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | S | Bend | cis | -59.5 | 161.9 | -10.9 | -24.1 | 36.7 | 0 | 0 | 0 | 112.8 | L27 W31 | L27-P29 CarbonylContact C-O 3.58Å; L27-P29 WeakPolarHBondContact CG-O 3.48Å; P29-W31 PolarHBondContact O-N 2.9Å |
| 30 | P | 95.9 | Very high | 94.2 | Very high | 56 Ų | 56 | 57 Ų | 57 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -77.7 | 32 | -166.1 | 34.5 | -39.2 | 0 | 0 | 0 | 114.9 | L27 P110 Y111 | L27-P30 WeakPolarHBondContact O-CA 3.5Å; P30-P110 WeakPolarHBondContact O-CA 3.39Å; P30-Y111 HydrophobicContact CB-CD1 3.89Å; P30-Y111 HydrophobicContact CB-CE1 3.75Å; P30-Y111 WeakPolarHBondContact O-CD1 3.31Å; P30-Y111 PolarHBondContact O-N 3.24Å |
| 31 | W | 96.3 | Very high | 95.1 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -111.7 | 127.2 | -170 | -54.3 | 121.8 | 0 | 0 | 0 | 112 | L27 P29 T33 Q108 V109 V121 R123 | L27-W31 VanDerWaalsContact CD2-O 3.28Å; L27-W31 WeakPolarHBondContact CD2-O 3.47Å; P29-W31 PolarHBondContact O-N 2.9Å; W31-T33 PolarHBondContact O-N 3.28Å; W31-Q108 HydrophobicContact CB-CB 3.87Å; W31-Q108 HydrophobicContact CB-CG 4.12Å; W31-Q108 HydrophobicContact CD2-CB 3.75Å; W31-Q108 HydrophobicContact CE3-CB 3.71Å; W31-Q108 HydrophobicContact CG-CB 3.83Å; W31-Q108 HydrophobicContact CG-CG 4.24Å; W31-Q108 HydrophobicContact CZ3-CB 4.49Å; W31-V109 WeakPolarHBondContact CA-O 3.16Å; W31-V121 HydrophobicContact CH2-CG1 4.26Å; W31-R123 HydrophobicContact CH2-CB 4.15Å; W31-R123 HydrophobicContact CZ2-CB 4.36Å; W31-R123 HydrophobicContact CZ3-CB 4.42Å |
| 32 | T | 95.1 | Very high | 95.7 | Very high | 21 Ų | 21 | 49.3 Ų | 49.3 | 13% | 0.129 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -70.5 | -12.3 | 179.6 | 61.3 | 0 | 0 | 0 | 0 | 114.7 | S99 V109 | T32-S99 PolarHBondContact O-N 2.9Å; T32-V109 HydrophobicContact CG2-CG2 4.29Å; T32-V109 PolarHBondContact N-O 2.9Å; T32-V109 VanDerWaalsContact N-O 3.11Å; T32-V109 VanDerWaalsContact OG1-CG2 3.3Å; T32-V109 WeakPolarHBondContact OG1-CG2 3.32Å |
| 33 | T | 96.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 49.7 Ų | 49.7 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 129.1 | -173 | -43.8 | 0 | 0 | 0 | 0 | 110.6 | W31 S99 I106 L107 Q108 | W31-T33 PolarHBondContact O-N 3.28Å; T33-S99 WeakPolarHBondContact CA-O 3.31Å; T33-I106 HydrophobicContact CG2-CB 3.97Å; T33-I106 HydrophobicContact CG2-CD1 4.41Å; T33-I106 HydrophobicContact CG2-CG2 4.07Å; T33-L107 WeakPolarHBondContact CB-O 3.34Å; T33-L107 PolarHBondContact OG1-O 2.85Å; T33-L107 VanDerWaalsContact OG1-O 3.07Å; T33-Q108 WeakPolarHBondContact O-CG 3.36Å; T33-Q108 PolarHBondContact O-NE2 3.01Å |
| 34 | I | 96.9 | Very high | 96 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 164.5 | 177.2 | 62.1 | 174.2 | 0 | 0 | 0 | 111.7 | E38 V40 L98 S99 V100 S101 | I34-E38 HydrophobicContact CB-CB 4.37Å; I34-E38 WeakPolarHBondContact CB-OE2 3.18Å; I34-E38 HydrophobicContact CD1-CB 4.45Å; I34-V40 HydrophobicContact CD1-CG1 4.2Å; I34-V40 HydrophobicContact CD1-CG2 4.29Å; I34-V40 HydrophobicContact CG2-CG1 3.61Å; I34-L98 HydrophobicContact CD1-CD1 4.44Å; I34-L98 HydrophobicContact CD1-CD2 4.32Å; I34-L98 HydrophobicContact CG1-CD1 4.46Å; I34-S99 PolarHBondContact N-O 3.07Å; I34-V100 HydrophobicContact CD1-CG2 4.15Å; I34-V100 HydrophobicContact CG1-CB 4.49Å; I34-V100 HydrophobicContact CG1-CG2 3.88Å; I34-V100 WeakPolarHBondContact O-CA 3.3Å; I34-S101 PolarHBondContact O-N 2.93Å |
| 35 | F | 97.2 | Very high | 95.9 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.022 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 151.9 | 169.7 | -68.2 | -67.7 | 0 | 0 | 0 | 110.8 | G37 E38 S101 D103 I106 R125 G126 W127 | F35-G37 PolarHBondContact O-N 3.09Å; F35-E38 HydrophobicContact CB-CG 4.15Å; F35-E38 PolarHBondContact N-OE2 2.8Å; F35-E38 WeakPolarHBondContact O-CB 3.26Å; F35-E38 PolarHBondContact O-N 3.42Å; F35-E38 VanDerWaalsContact O-N 3.16Å; F35-S101 CarbonylContact C-O 3.55Å; F35-S101 WeakPolarHBondContact CA-O 3.47Å; F35-D103 VanDerWaalsContact CE1-O 3.24Å; F35-D103 WeakPolarHBondContact CE1-O 3.36Å; F35-I106 HydrophobicContact CD1-CD1 4.44Å; F35-I106 HydrophobicContact CD1-CG2 3.87Å; F35-I106 HydrophobicContact CD2-CD1 3.91Å; F35-I106 HydrophobicContact CD2-CG1 4.41Å; F35-I106 HydrophobicContact CE1-CB 4.28Å; F35-I106 HydrophobicContact CE1-CD1 4.37Å; F35-I106 HydrophobicContact CE1-CG1 4.07Å; F35-I106 HydrophobicContact CE1-CG2 3.55Å; F35-I106 HydrophobicContact CE2-CD1 3.81Å; F35-I106 HydrophobicContact CE2-CG1 3.84Å; F35-I106 HydrophobicContact CG-CD1 4.22Å; F35-I106 HydrophobicContact CZ-CB 4.29Å; F35-I106 HydrophobicContact CZ-CD1 4.06Å; F35-I106 HydrophobicContact CZ-CG1 3.65Å; F35-I106 HydrophobicContact CZ-CG2 4.05Å; F35-R125 HydrophobicContact CE2-CG 4.35Å; F35-R125 WeakPolarHBondContact CZ-O 3.43Å; F35-G126 WeakPolarHBondContact CE2-O 3.36Å; F35-G126 VanDerWaalsContact CZ-C 3.48Å; F35-W127 AromaticContact CD1-CD1 3.9Å; F35-W127 HydrophobicContact CE1-CB 4.08Å; F35-W127 AromaticContact CG-CD1 3.98Å; F35-W127 VanDerWaalsContact CZ-CA 3.47Å; F35-W127 HydrophobicContact CZ-CB 4.06Å; F35-W127 VanDerWaalsContact CZ-N 3.31Å |
| 36 | K | 96 | Very high | 95.3 | Very high | 150 Ų | 150 | 46.7 Ų | 46.7 | 65% | 0.652 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 132.5 | 171 | 178.9 | 178.9 | 174.6 | -175 | 0 | 111 | V100 S101 N102 | K36-V100 HydrophobicContact CB-CG1 4.03Å; K36-S101 PolarHBondContact N-O 2.88Å; K36-N102 WeakPolarHBondContact CB-OD1 3.33Å; K36-N102 WeakPolarHBondContact CD-OD1 3.12Å |
| 37 | G | 93.9 | Very high | 94.3 | Very high | 66 Ų | 66 | 52.1 Ų | 52.1 | 68% | 0.68 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.6 | -14.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F35 | F35-G37 PolarHBondContact O-N 3.09Š|
| 38 | E | 95.7 | Very high | 93 | Very high | 52 Ų | 52 | 54.4 Ų | 54.4 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | trans | -79.6 | 159.6 | 171.5 | -62.1 | -178 | 141 | 0 | 0 | 112.1 | I34 F35 Q78 R125 | I34-E38 HydrophobicContact CB-CB 4.37Å; I34-E38 WeakPolarHBondContact CB-OE2 3.18Å; I34-E38 HydrophobicContact CD1-CB 4.45Å; F35-E38 HydrophobicContact CB-CG 4.15Å; F35-E38 PolarHBondContact N-OE2 2.8Å; F35-E38 WeakPolarHBondContact O-CB 3.26Å; F35-E38 PolarHBondContact O-N 3.42Å; F35-E38 VanDerWaalsContact O-N 3.16Å; E38-Q78 VanDerWaalsContact O-CB 3.23Å; E38-Q78 WeakPolarHBondContact O-CB 3.34Å; E38-R125 IonicContact OE1-CZ 2.73Å; E38-R125 VanDerWaalsContact OE1-CZ 3.22Å; E38-R125 IonicContact OE1-NH1 2.75Å; E38-R125 PolarHBondContact OE1-NH1 2.97Å; E38-R125 IonicContact OE1-NH2 3.9Å; E38-R125 PolarHBondContact OE1-NH2 2.83Å; E38-R125 IonicContact OE2-CZ 2.65Å; E38-R125 IonicContact OE2-NH1 2.72Å; E38-R125 IonicContact OE2-NH2 2.94Å; E38-R125 PolarHBondContact OE2-NH2 2.89Å | ||
| 39 | R | 96.1 | Very high | 91.4 | Very high | 145 Ų | 145 | 49.9 Ų | 49.9 | 55% | 0.547 | 26% | 0.263 | S | S | . | . | trans | -123 | 147.2 | 176.2 | -73 | -177 | 152.1 | -153.7 | -0.4 | 110.7 | E76 V77 Q78 | R39-E76 WeakPolarHBondContact CD-OE2 3.15Å; R39-E76 IonicContact CZ-OE2 3.92Å; R39-E76 IonicContact NE-OE2 3.15Å; R39-E76 IonicContact NH1-OE2 2.62Å; R39-E76 PolarHBondContact NH1-OE2 2.93Å; R39-V77 WeakPolarHBondContact CA-O 3.46Å; R39-Q78 HydrophobicContact CG-CB 4.21Å | ||
| 40 | V | 97 | Very high | 89.5 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 148 | 172.7 | -66.5 | 0 | 0 | 0 | 0 | 110.1 | L27 I34 E76 V77 L98 | L27-V40 HydrophobicContact CD1-CB 3.84Å; L27-V40 HydrophobicContact CD1-CG2 3.65Å; I34-V40 HydrophobicContact CD1-CG1 4.2Å; I34-V40 HydrophobicContact CD1-CG2 4.29Å; I34-V40 HydrophobicContact CG2-CG1 3.61Å; V40-E76 WeakPolarHBondContact O-CA 3.5Å; V40-V77 HydrophobicContact CG2-CG2 3.73Å; V40-V77 PolarHBondContact N-O 2.9Å; V40-V77 PolarHBondContact O-N 2.94Å; V40-L98 HydrophobicContact CG2-CD1 3.98Å; V40-L98 HydrophobicContact CG2-CD2 3.69Å |
| 41 | T | 97.6 | Very high | 87.5 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 28% | 0.282 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 120 | -179.6 | -55.3 | 0 | 0 | 0 | 0 | 109.5 | H28 I75 | H28-T41 PolarHBondContact N-O 3.02Å; H28-T41 PolarHBondContact O-N 2.74Å; T41-I75 WeakPolarHBondContact CA-O 3.41Å |
| 42 | L | 97.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 139.2 | 165.3 | -68.9 | 167.3 | 0 | 0 | 0 | 109.1 | L25 S26 L27 W61 S74 I75 V77 Y83 I96 | L25-L42 HydrophobicContact CD1-CB 4.25Å; L25-L42 HydrophobicContact CD1-CD2 4.15Å; S26-L42 CarbonylContact O-C 3.53Å; S26-L42 WeakPolarHBondContact O-CA 3.44Å; L27-L42 HydrophobicContact CB-CD2 4.12Å; L27-L42 HydrophobicContact CD1-CD2 3.54Å; L27-L42 HydrophobicContact CD1-CG 4.12Å; L27-L42 HydrophobicContact CG-CD2 4.41Å; L42-W61 HydrophobicContact CB-CH2 3.65Å; L42-W61 HydrophobicContact CB-CZ3 3.66Å; L42-W61 HydrophobicContact CD1-CZ3 4.2Å; L42-S74 CarbonylContact O-C 3.53Å; L42-S74 WeakPolarHBondContact O-CA 3.45Å; L42-S74 VanDerWaalsContact O-CB 3.27Å; L42-S74 WeakPolarHBondContact O-CB 3.23Å; L42-I75 HydrophobicContact CB-CG1 3.98Å; L42-I75 HydrophobicContact CD1-CD1 4.3Å; L42-I75 HydrophobicContact CD1-CG1 4.38Å; L42-I75 PolarHBondContact N-O 2.91Å; L42-I75 PolarHBondContact O-N 2.73Å; L42-V77 HydrophobicContact CD1-CG1 4.03Å; L42-V77 HydrophobicContact CD1-CG2 3.66Å; L42-V77 HydrophobicContact CG-CG2 4.02Å; L42-Y83 HydrophobicContact CD1-CD1 3.48Å; L42-Y83 VanDerWaalsContact CD1-CD1 3.48Å; L42-Y83 HydrophobicContact CD1-CD2 3.99Å; L42-Y83 HydrophobicContact CD1-CE1 4.12Å; L42-Y83 HydrophobicContact CD1-CG 3.4Å; L42-I96 HydrophobicContact CD2-CD1 4.24Å |
| 43 | K | 95.8 | Very high | 83.4 | Confident | 88 Ų | 88 | 68 Ų | 68 | 38% | 0.383 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 129.1 | 179 | 174.6 | 177.5 | 179.4 | -102.3 | 0 | 110.3 | S26 D45 | S26-K43 PolarHBondContact N-O 2.59Å; S26-K43 PolarHBondContact O-N 2.76Å; S26-K43 WeakPolarHBondContact OG-CB 3.07Å; S26-K43 PolarHBondContact OG-O 3.19Å; K43-D45 WeakPolarHBondContact CE-OD1 3Å; K43-D45 IonicContact NZ-OD1 3.93Å; K43-D45 PolarHBondContact NZ-OD1 3.46Å; K43-D45 IonicContact NZ-OD2 2.7Å; K43-D45 PolarHBondContact NZ-OD2 2.71Å |
| 44 | C | 93.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 113.3 | 178 | -162.7 | 0 | 0 | 0 | 0 | 109.2 | T59 W61 K73 C85 | C44-T59 HydrophobicContact CB-CG2 3.89Å; C44-W61 HydrophobicContact CB-CH2 4.02Å; C44-W61 HydrophobicContact CB-CZ2 3.82Å; C44-K73 PolarHBondContact N-O 2.86Å; C44-K73 WeakPolarHBondContact O-CE 3.02Å; C44-K73 VanDerWaalsContact O-CG 3.28Å; C44-K73 WeakPolarHBondContact O-CG 3.26Å; C44-C85 HydrophobicContact CB-CB 3.63Å; C44-C85 WeakPolarHBondContact CB-SG 3.45Å; C44-C85 WeakPolarHBondContact SG-CB 3.49Å; C44-C85 CovalentContact SG-SG 2.04Å; C44-C85 PolarHBondContact SG-SG 2.79Å |
| 45 | D | 90.8 | Very high | 79.4 | Confident | 45 Ų | 45 | 83.1 Ų | 83.1 | 24% | 0.241 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.2 | 173 | -72.3 | -61.3 | 0 | 0 | 0 | 109.9 | P23 I24 K43 K73 | P23-D45 CarbonylContact C-O 3.52Å; P23-D45 WeakPolarHBondContact CA-O 3.41Å; P23-D45 WeakPolarHBondContact CB-O 3.28Å; I24-D45 PolarHBondContact N-O 2.83Å; I24-D45 PolarHBondContact O-N 3.34Å; K43-D45 WeakPolarHBondContact CE-OD1 3Å; K43-D45 IonicContact NZ-OD1 3.93Å; K43-D45 PolarHBondContact NZ-OD1 3.46Å; K43-D45 IonicContact NZ-OD2 2.7Å; K43-D45 PolarHBondContact NZ-OD2 2.71Å; D45-K73 WeakPolarHBondContact OD1-CE 3.43Å; D45-K73 IonicContact OD1-NZ 3.53Å; D45-K73 PolarHBondContact OD1-NZ 2.03Å |
| 46 | G | 83.6 | Confident | 77.6 | Confident | 32 Ų | 32 | 89 Ų | 89 | 33% | 0.33 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -176.4 | -179 | -177 | 0 | 0 | 0 | 0 | 0 | 110.7 | H48 | G46-H48 PolarHBondContact O-CE1 2.85Å; G46-H48 PolarHBondContact O-N 3.49Å; G46-H48 PolarHBondContact O-ND1 3.02Å |
| 47 | Y | 75.3 | Confident | 76.2 | Confident | 139 Ų | 139 | 85.6 Ų | 85.6 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | trans | -68.4 | 132.7 | 178.2 | -178.3 | -102.4 | 0 | 0 | 0 | 111.6 | L20 P49 T87 | L20-Y47 HydrophobicContact CD1-CD1 3.79Å; L20-Y47 HydrophobicContact CD1-CG 3.91Å; L20-Y47 HydrophobicContact CD2-CD1 3.94Å; L20-Y47 HydrophobicContact CD2-CG 4.48Å; L20-Y47 HydrophobicContact CG-CD1 4.49Å; Y47-P49 HydrophobicContact CE1-CB 3.76Å; Y47-P49 HydrophobicContact CE1-CG 4.35Å; Y47-T87 WeakPolarHBondContact O-CB 3.37Å; Y47-T87 PolarHBondContact O-OG1 2.93Å | ||
| 48 | H | 68.7 | Low | 75.3 | Confident | 55 Ų | 55 | 84.9 Ų | 84.9 | 26% | 0.255 | 43% | 0.427 | S | S | . | . | trans | -123.8 | 109.9 | 176.1 | -68.7 | 63.7 | 0 | 0 | 0 | 107.2 | G46 L50 | G46-H48 PolarHBondContact O-CE1 2.85Å; G46-H48 PolarHBondContact O-N 3.49Å; G46-H48 PolarHBondContact O-ND1 3.02Å; H48-L50 PolarHBondContact O-N 2.96Å; H48-L50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | P | 62.8 | Low | 75.1 | Confident | 36 Ų | 36 | 82.4 Ų | 82.4 | 23% | 0.234 | 42% | 0.415 | C | S | . | . | trans | -70.3 | 107.4 | -176.6 | 24.2 | -31.6 | 0 | 0 | 0 | 112 | Y47 L51 L52 | Y47-P49 HydrophobicContact CE1-CB 3.76Å; Y47-P49 HydrophobicContact CE1-CG 4.35Å; P49-L51 PolarHBondContact O-N 3.49Å; P49-L51 VanDerWaalsContact O-N 3.13Å; P49-L52 PolarHBondContact O-N 2.87Å | ||
| 50 | L | 56.8 | Low | 74.9 | Confident | 144 Ų | 144 | 77.9 Ų | 77.9 | 75% | 0.754 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -60.1 | -21.6 | 179.9 | -59.1 | 176 | 0 | 0 | 0 | 114 | H48 L52 | H48-L50 PolarHBondContact O-N 2.96Å; H48-L50 VanDerWaalsContact O-N 3.12Å; L50-L52 VanDerWaalsContact C-N 3.27Å; L50-L52 PolarHBondContact O-N 2.9Å |
| 51 | L | 54 | Low | 74.8 | Confident | 165 Ų | 165 | 77.6 Ų | 77.6 | 86% | 0.864 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -81.5 | 4.8 | -180 | -86.7 | 159.7 | 0 | 0 | 0 | 114.3 | P49 | P49-L51 PolarHBondContact O-N 3.49Å; P49-L51 VanDerWaalsContact O-N 3.13Å |
| 52 | L | 52.8 | Low | 74.7 | Confident | 78 Ų | 78 | 77.7 Ų | 77.7 | 41% | 0.408 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -133.4 | 39.6 | -179.5 | -86.6 | 111.9 | 0 | 0 | 0 | 114.5 | P49 L50 L54 R55 | P49-L52 PolarHBondContact O-N 2.87Å; L50-L52 VanDerWaalsContact C-N 3.27Å; L50-L52 PolarHBondContact O-N 2.9Å; L52-L54 PolarHBondContact O-N 3.2Å; L52-R55 PolarHBondContact O-N 2.88Å |
| 53 | E | 52.5 | Low | 74.7 | Confident | 159 Ų | 159 | 79.3 Ų | 79.3 | 74% | 0.743 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -12.2 | 166.1 | -70.6 | -63.9 | 151.9 | 0 | 0 | 114.3 | R55 | E53-R55 PolarHBondContact O-N 3.08Š|
| 54 | L | 51.4 | Low | 74.6 | Confident | 168 Ų | 168 | 76.5 Ų | 76.5 | 88% | 0.88 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 7.5 | 176.8 | -65.3 | 169.9 | 0 | 0 | 0 | 115 | L52 | L52-L54 PolarHBondContact O-N 3.2Š|
| 55 | R | 57.9 | Low | 74.4 | Confident | 166 Ų | 166 | 85.6 Ų | 85.6 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -138.5 | 129.5 | 172.8 | -67.4 | -168.7 | -174.6 | -178 | 1.2 | 112.3 | L52 E53 I57 | L52-R55 PolarHBondContact O-N 2.88Å; E53-R55 PolarHBondContact O-N 3.08Å; R55-I57 PolarHBondContact O-N 3.13Å |
| 56 | P | 60.6 | Low | 74.6 | Confident | 128 Ų | 128 | 89.2 Ų | 89.2 | 83% | 0.831 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -75.1 | 2.7 | -172 | 31.1 | -37.5 | 0 | 0 | 0 | 115.4 | ||
| 57 | I | 65.4 | Low | 75.2 | Confident | 79 Ų | 79 | 92.4 Ų | 92.4 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | trans | -111.5 | 101.4 | -176.3 | -56.9 | 179.7 | 0 | 0 | 0 | 109.5 | R55 L60 H71 | R55-I57 PolarHBondContact O-N 3.13Å; I57-L60 HydrophobicContact CG2-CD2 3.78Å; I57-H71 HydrophobicContact CG1-CB 4.47Å; I57-H71 HydrophobicContact CG2-CB 4.35Å | ||
| 58 | S | 76.1 | Confident | 76.1 | Confident | 50 Ų | 50 | 87.6 Ų | 87.6 | 35% | 0.35 | 45% | 0.453 | S | S | . | . | trans | -98.8 | -34.9 | 176.1 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | H71 R88 | S58-H71 PolarHBondContact OG-O 3.06Å; S58-R88 PolarHBondContact O-N 3.17Å | ||
| 59 | T | 89.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 91.3 Ų | 91.3 | 0% | 0 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.9 | -177.8 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | C44 W61 H71 C85 Q86 | C44-T59 HydrophobicContact CB-CG2 3.89Å; T59-W61 HydrophobicContact CG2-CZ2 4.44Å; T59-H71 WeakPolarHBondContact O-CA 3.35Å; T59-H71 PolarHBondContact O-ND1 3.17Å; T59-C85 HydrophobicContact CG2-CB 4.34Å; T59-Q86 WeakPolarHBondContact CA-O 3.29Å |
| 60 | L | 92.5 | Very high | 78.4 | Confident | 50 Ų | 50 | 91 Ų | 91 | 26% | 0.262 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 140.2 | 167 | -60.6 | 178.3 | 0 | 0 | 0 | 109.4 | I57 Y62 L67 C85 Q86 | I57-L60 HydrophobicContact CG2-CD2 3.78Å; L60-Y62 HydrophobicContact CB-CE2 3.94Å; L60-Y62 WeakPolarHBondContact CD1-OH 3.45Å; L60-L67 HydrophobicContact CB-CD1 4.1Å; L60-L67 HydrophobicContact CD2-CD1 4.3Å; L60-C85 CarbonylContact O-C 3.6Å; L60-C85 VanDerWaalsContact O-CA 3.28Å; L60-C85 WeakPolarHBondContact O-CA 3.23Å; L60-Q86 HydrophobicContact CB-CB 4.37Å; L60-Q86 PolarHBondContact N-O 2.79Å; L60-Q86 PolarHBondContact O-N 2.73Å |
| 61 | W | 95.4 | Very high | 79.9 | Confident | 0 Ų | 0 | 87.1 Ų | 87.1 | 0% | 0 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.6 | -176.2 | -77.2 | 99.8 | 0 | 0 | 0 | 110.5 | L25 L42 C44 T59 L67 L68 K72 I75 C85 | L25-W61 HydrophobicContact CD1-CH2 3.65Å; L25-W61 HydrophobicContact CD1-CZ3 3.48Å; L25-W61 VanDerWaalsContact CD1-CZ3 3.48Å; L42-W61 HydrophobicContact CB-CH2 3.65Å; L42-W61 HydrophobicContact CB-CZ3 3.66Å; L42-W61 HydrophobicContact CD1-CZ3 4.2Å; C44-W61 HydrophobicContact CB-CH2 4.02Å; C44-W61 HydrophobicContact CB-CZ2 3.82Å; T59-W61 HydrophobicContact CG2-CZ2 4.44Å; W61-L67 WeakPolarHBondContact O-CA 3.43Å; W61-L68 HydrophobicContact CB-CB 3.98Å; W61-L68 HydrophobicContact CB-CD1 4.26Å; W61-L68 HydrophobicContact CB-CG 4.44Å; W61-L68 PolarHBondContact O-N 2.69Å; W61-K72 PolarHBondContact NE1-O 3.46Å; W61-I75 HydrophobicContact CB-CD1 4.29Å; W61-I75 HydrophobicContact CD2-CD1 3.55Å; W61-I75 HydrophobicContact CD2-CG1 3.88Å; W61-I75 HydrophobicContact CD2-CG2 4.25Å; W61-I75 HydrophobicContact CE3-CD1 3.46Å; W61-I75 VanDerWaalsContact CE3-CD1 3.46Å; W61-I75 HydrophobicContact CE3-CG1 3.89Å; W61-I75 HydrophobicContact CG-CD1 3.94Å; W61-I75 HydrophobicContact CG-CG2 4.26Å; W61-I75 HydrophobicContact CH2-CG1 4.05Å; W61-I75 HydrophobicContact CZ2-CG1 4.05Å; W61-I75 HydrophobicContact CZ3-CD1 3.97Å; W61-I75 HydrophobicContact CZ3-CG1 3.96Å; W61-C85 HydrophobicContact CD2-CB 4.19Å; W61-C85 HydrophobicContact CE3-CB 3.88Å; W61-C85 HydrophobicContact CH2-CB 4.18Å; W61-C85 HydrophobicContact CZ2-CB 4.47Å; W61-C85 HydrophobicContact CZ3-CB 3.88Å |
| 62 | Y | 96.1 | Very high | 81.5 | Confident | 49 Ų | 49 | 86.6 Ų | 86.6 | 19% | 0.192 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.6 | -176.3 | -56.7 | -88.2 | 0 | 0 | 0 | 111.4 | L60 L66 L67 Y83 R84 Q86 | L60-Y62 HydrophobicContact CB-CE2 3.94Å; L60-Y62 WeakPolarHBondContact CD1-OH 3.45Å; Y62-L66 CarbonylContact C-O 3.59Å; Y62-L66 VanDerWaalsContact CA-O 3.3Å; Y62-L66 WeakPolarHBondContact CA-O 3.5Å; Y62-L67 HydrophobicContact CD1-CD1 4.02Å; Y62-L67 HydrophobicContact CE1-CD1 3.61Å; Y62-Y83 WeakPolarHBondContact O-CA 3.46Å; Y62-R84 HydrophobicContact CD2-CB 4.49Å; Y62-R84 PolarHBondContact N-O 2.94Å; Y62-R84 PolarHBondContact O-N 3.38Å; Y62-Q86 HydrophobicContact CE2-CB 3.93Å; Y62-Q86 PolarHBondContact OH-OE1 2.92Å; Y62-Q86 VanDerWaalsContact OH-OE1 3.06Å |
| 63 | L | 96.7 | Very high | 83.3 | Confident | 35 Ų | 35 | 87 Ų | 87 | 18% | 0.183 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 101.9 | 167.6 | 175.1 | 54.7 | 0 | 0 | 0 | 108.6 | H65 L66 L68 Y83 | L63-H65 PolarHBondContact O-N 2.84Å; L63-L66 PolarHBondContact N-O 2.86Å; L63-L66 WeakPolarHBondContact O-CB 3.29Å; L63-L66 PolarHBondContact O-N 2.85Å; L63-L68 HydrophobicContact CB-CD1 4.3Å; L63-L68 HydrophobicContact CB-CD2 3.94Å; L63-L68 HydrophobicContact CB-CG 4.23Å; L63-L68 HydrophobicContact CD2-CD2 4.45Å; L63-Y83 HydrophobicContact CB-CE1 4.29Å; L63-Y83 HydrophobicContact CD1-CD1 4.24Å; L63-Y83 HydrophobicContact CD1-CD2 4.41Å; L63-Y83 HydrophobicContact CD1-CE1 3.83Å; L63-Y83 HydrophobicContact CD1-CE2 4.01Å; L63-Y83 HydrophobicContact CD2-CE1 4.39Å; L63-Y83 HydrophobicContact CG-CE1 4.39Å |
| 64 | G | 93.5 | Very high | 85.3 | Confident | 28 Ų | 28 | 82 Ų | 82 | 29% | 0.289 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | -103.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V82 | G64-V82 PolarHBondContact N-O 2.84Š|
| 65 | H | 90.3 | Very high | 87.4 | Confident | 192 Ų | 192 | 74.9 Ų | 74.9 | 89% | 0.889 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -5.1 | 174 | -59.6 | -75.7 | 0 | 0 | 0 | 113.4 | L63 | L63-H65 PolarHBondContact O-N 2.84Š|
| 66 | L | 95.3 | Very high | 89.2 | Confident | 121 Ų | 121 | 72.4 Ų | 72.4 | 63% | 0.634 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 130.2 | -177.7 | -60.4 | 172.7 | 0 | 0 | 0 | 110.4 | Y62 L63 | Y62-L66 CarbonylContact C-O 3.59Å; Y62-L66 VanDerWaalsContact CA-O 3.3Å; Y62-L66 WeakPolarHBondContact CA-O 3.5Å; L63-L66 PolarHBondContact N-O 2.86Å; L63-L66 WeakPolarHBondContact O-CB 3.29Å; L63-L66 PolarHBondContact O-N 2.85Å |
| 67 | L | 94.8 | Very high | 90.9 | Very high | 99 Ų | 99 | 66.8 Ų | 66.8 | 52% | 0.518 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 126.8 | 170.8 | -170.2 | 75.5 | 0 | 0 | 0 | 109.5 | L60 W61 Y62 | L60-L67 HydrophobicContact CB-CD1 4.1Å; L60-L67 HydrophobicContact CD2-CD1 4.3Å; W61-L67 WeakPolarHBondContact O-CA 3.43Å; Y62-L67 HydrophobicContact CD1-CD1 4.02Å; Y62-L67 HydrophobicContact CE1-CD1 3.61Å |
| 68 | L | 94 | Very high | 92.3 | Very high | 37 Ų | 37 | 67.4 Ų | 67.4 | 19% | 0.194 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 142.8 | 177.7 | -60.1 | -179.6 | 0 | 0 | 0 | 110.8 | W61 L63 S70 I75 Y83 | W61-L68 HydrophobicContact CB-CB 3.98Å; W61-L68 HydrophobicContact CB-CD1 4.26Å; W61-L68 HydrophobicContact CB-CG 4.44Å; W61-L68 PolarHBondContact O-N 2.69Å; L63-L68 HydrophobicContact CB-CD1 4.3Å; L63-L68 HydrophobicContact CB-CD2 3.94Å; L63-L68 HydrophobicContact CB-CG 4.23Å; L63-L68 HydrophobicContact CD2-CD2 4.45Å; L68-S70 PolarHBondContact O-N 2.85Å; L68-I75 HydrophobicContact CD1-CD1 3.77Å; L68-Y83 HydrophobicContact CD1-CD1 4.39Å; L68-Y83 HydrophobicContact CD1-CE1 4.18Å |
| 69 | P | 90.8 | Very high | 93.3 | Very high | 134 Ų | 134 | 68.3 Ų | 68.3 | 87% | 0.87 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -79.7 | 52.4 | -177.4 | 35.2 | -38 | 0 | 0 | 0 | 112.2 | ||
| 70 | S | 89.3 | Confident | 93.6 | Very high | 28 Ų | 28 | 72 Ų | 72 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | trans | -139.6 | 139.1 | 175 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | L68 K72 I75 | L68-S70 PolarHBondContact O-N 2.85Å; S70-K72 PolarHBondContact OG-N 2.83Å; S70-I75 VanDerWaalsContact OG-CG2 3.26Å; S70-I75 WeakPolarHBondContact OG-CG2 3.45Å | ||
| 71 | H | 87.8 | Confident | 93.8 | Very high | 64 Ų | 64 | 70.9 Ų | 70.9 | 30% | 0.296 | 38% | 0.381 | S | S | . | . | trans | -119.9 | 7 | 177 | -55.6 | -52.7 | 0 | 0 | 0 | 113 | I57 S58 T59 | I57-H71 HydrophobicContact CG1-CB 4.47Å; I57-H71 HydrophobicContact CG2-CB 4.35Å; S58-H71 PolarHBondContact OG-O 3.06Å; T59-H71 WeakPolarHBondContact O-CA 3.35Å; T59-H71 PolarHBondContact O-ND1 3.17Å | ||
| 72 | K | 89.1 | Confident | 93.8 | Very high | 153 Ų | 153 | 72.5 Ų | 72.5 | 67% | 0.665 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -68.6 | 153.3 | 175.7 | -66.5 | -178.6 | 179.8 | -178.5 | 0 | 110.6 | W61 S70 S74 | W61-K72 PolarHBondContact NE1-O 3.46Å; S70-K72 PolarHBondContact OG-N 2.83Å; K72-S74 VanDerWaalsContact CB-O 3.31Å; K72-S74 WeakPolarHBondContact CB-O 3.46Å; K72-S74 PolarHBondContact O-N 2.87Å |
| 73 | K | 90 | Very high | 93.9 | Very high | 88 Ų | 88 | 70.1 Ų | 70.1 | 38% | 0.383 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -61.3 | -23.5 | 174.8 | -170.7 | 173.4 | 179.3 | -178.7 | 0 | 113.4 | C44 D45 | C44-K73 PolarHBondContact N-O 2.86Å; C44-K73 WeakPolarHBondContact O-CE 3.02Å; C44-K73 VanDerWaalsContact O-CG 3.28Å; C44-K73 WeakPolarHBondContact O-CG 3.26Å; D45-K73 WeakPolarHBondContact OD1-CE 3.43Å; D45-K73 IonicContact OD1-NZ 3.53Å; D45-K73 PolarHBondContact OD1-NZ 2.03Å |
| 74 | S | 94.2 | Very high | 93.9 | Very high | 53 Ų | 53 | 72 Ų | 72 | 37% | 0.371 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 152.9 | 174.2 | 52.8 | 0 | 0 | 0 | 0 | 112 | L42 K72 | L42-S74 CarbonylContact O-C 3.53Å; L42-S74 WeakPolarHBondContact O-CA 3.45Å; L42-S74 VanDerWaalsContact O-CB 3.27Å; L42-S74 WeakPolarHBondContact O-CB 3.23Å; K72-S74 VanDerWaalsContact CB-O 3.31Å; K72-S74 WeakPolarHBondContact CB-O 3.46Å; K72-S74 PolarHBondContact O-N 2.87Å |
| 75 | I | 95.5 | Very high | 94 | Very high | 18 Ų | 18 | 70.7 Ų | 70.7 | 9% | 0.092 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 146.4 | 173.2 | 59.1 | 171 | 0 | 0 | 0 | 110.3 | T41 L42 W61 L68 S70 V77 | T41-I75 WeakPolarHBondContact CA-O 3.41Å; L42-I75 HydrophobicContact CB-CG1 3.98Å; L42-I75 HydrophobicContact CD1-CD1 4.3Å; L42-I75 HydrophobicContact CD1-CG1 4.38Å; L42-I75 PolarHBondContact N-O 2.91Å; L42-I75 PolarHBondContact O-N 2.73Å; W61-I75 HydrophobicContact CB-CD1 4.29Å; W61-I75 HydrophobicContact CD2-CD1 3.55Å; W61-I75 HydrophobicContact CD2-CG1 3.88Å; W61-I75 HydrophobicContact CD2-CG2 4.25Å; W61-I75 HydrophobicContact CE3-CD1 3.46Å; W61-I75 VanDerWaalsContact CE3-CD1 3.46Å; W61-I75 HydrophobicContact CE3-CG1 3.89Å; W61-I75 HydrophobicContact CG-CD1 3.94Å; W61-I75 HydrophobicContact CG-CG2 4.26Å; W61-I75 HydrophobicContact CH2-CG1 4.05Å; W61-I75 HydrophobicContact CZ2-CG1 4.05Å; W61-I75 HydrophobicContact CZ3-CD1 3.97Å; W61-I75 HydrophobicContact CZ3-CG1 3.96Å; L68-I75 HydrophobicContact CD1-CD1 3.77Å; S70-I75 VanDerWaalsContact OG-CG2 3.26Å; S70-I75 WeakPolarHBondContact OG-CG2 3.45Å; I75-V77 HydrophobicContact CD1-CG1 3.68Å; I75-V77 HydrophobicContact CG1-CG1 3.98Å |
| 76 | E | 96.9 | Very high | 94.1 | Very high | 114 Ų | 114 | 63.9 Ų | 63.9 | 53% | 0.533 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 132.9 | 166.9 | -74.4 | 176.9 | -154.5 | 0 | 0 | 109.7 | R39 V40 | R39-E76 WeakPolarHBondContact CD-OE2 3.15Å; R39-E76 IonicContact CZ-OE2 3.92Å; R39-E76 IonicContact NE-OE2 3.15Å; R39-E76 IonicContact NH1-OE2 2.62Å; R39-E76 PolarHBondContact NH1-OE2 2.93Å; V40-E76 WeakPolarHBondContact O-CA 3.5Å |
| 77 | V | 95.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151.3 | -179.1 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | R39 V40 L42 I75 Y83 L98 | R39-V77 WeakPolarHBondContact CA-O 3.46Å; V40-V77 HydrophobicContact CG2-CG2 3.73Å; V40-V77 PolarHBondContact N-O 2.9Å; V40-V77 PolarHBondContact O-N 2.94Å; L42-V77 HydrophobicContact CD1-CG1 4.03Å; L42-V77 HydrophobicContact CD1-CG2 3.66Å; L42-V77 HydrophobicContact CG-CG2 4.02Å; I75-V77 HydrophobicContact CD1-CG1 3.68Å; I75-V77 HydrophobicContact CG1-CG1 3.98Å; V77-Y83 HydrophobicContact CB-CE1 4.08Å; V77-Y83 HydrophobicContact CG1-CD1 4.35Å; V77-Y83 HydrophobicContact CG1-CE1 3.64Å; V77-Y83 HydrophobicContact CG2-CE1 4.31Å; V77-Y83 HydrophobicContact CG2-CE2 4.29Å; V77-L98 HydrophobicContact CG2-CD2 3.76Å |
| 78 | Q | 95.3 | Very high | 93.1 | Very high | 92 Ų | 92 | 58 Ų | 58 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | trans | -140.3 | 1.4 | -177.9 | 60.9 | -172.8 | 68.4 | 0 | 0 | 112.5 | E38 R39 | E38-Q78 VanDerWaalsContact O-CB 3.23Å; E38-Q78 WeakPolarHBondContact O-CB 3.34Å; R39-Q78 HydrophobicContact CG-CB 4.21Å | ||
| 79 | T | 95.4 | Very high | 92.4 | Very high | 69 Ų | 69 | 59.4 Ų | 59.4 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -101.8 | 137.6 | -177.1 | 37.4 | 0 | 0 | 0 | 0 | 110.5 | Y83 | T79-Y83 WeakPolarHBondContact O-CE2 3.26Å; T79-Y83 PolarHBondContact O-OH 3.23Å; T79-Y83 PolarHBondContact OG1-OH 3.07Å |
| 80 | P | 96.6 | Very high | 92.2 | Very high | 79 Ų | 79 | 53.2 Ų | 53.2 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | trans | -67.7 | 152.6 | 175.6 | 30.3 | -34.6 | 0 | 0 | 0 | 110.8 | L98 V100 | P80-L98 CarbonylContact C-O 3.6Å; P80-L98 VanDerWaalsContact CA-O 3.29Å; P80-L98 WeakPolarHBondContact CA-O 3.32Å; P80-V100 HydrophobicContact CB-CB 4.22Å; P80-V100 HydrophobicContact CB-CG2 3.97Å; P80-V100 HydrophobicContact CG-CB 4.4Å; P80-V100 HydrophobicContact CG-CG2 4.35Å | ||
| 81 | G | 95.9 | Very high | 92.2 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 27% | 0.268 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.6 | -169.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | L98 | G81-L98 PolarHBondContact N-O 2.96Å; G81-L98 PolarHBondContact O-N 2.94Å |
| 82 | V | 97.3 | Very high | 92.5 | Very high | 33 Ų | 33 | 54.9 Ų | 54.9 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 108.3 | -175.3 | -168.6 | 0 | 0 | 0 | 0 | 109.5 | G64 P95 I96 | G64-V82 PolarHBondContact N-O 2.84Å; V82-P95 HydrophobicContact CG1-CB 3.48Å; V82-P95 VanDerWaalsContact CG1-CB 3.48Å; V82-I96 WeakPolarHBondContact CA-O 3.25Å |
| 83 | Y | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 139.3 | -179.5 | -65.9 | -89.2 | 0 | 0 | 0 | 111.3 | L25 L42 Y62 L63 L68 V77 T79 P95 I96 L98 | L25-Y83 WeakPolarHBondContact CD2-O 3.46Å; L42-Y83 HydrophobicContact CD1-CD1 3.48Å; L42-Y83 VanDerWaalsContact CD1-CD1 3.48Å; L42-Y83 HydrophobicContact CD1-CD2 3.99Å; L42-Y83 HydrophobicContact CD1-CE1 4.12Å; L42-Y83 HydrophobicContact CD1-CG 3.4Å; Y62-Y83 WeakPolarHBondContact O-CA 3.46Å; L63-Y83 HydrophobicContact CB-CE1 4.29Å; L63-Y83 HydrophobicContact CD1-CD1 4.24Å; L63-Y83 HydrophobicContact CD1-CD2 4.41Å; L63-Y83 HydrophobicContact CD1-CE1 3.83Å; L63-Y83 HydrophobicContact CD1-CE2 4.01Å; L63-Y83 HydrophobicContact CD2-CE1 4.39Å; L63-Y83 HydrophobicContact CG-CE1 4.39Å; L68-Y83 HydrophobicContact CD1-CD1 4.39Å; L68-Y83 HydrophobicContact CD1-CE1 4.18Å; V77-Y83 HydrophobicContact CB-CE1 4.08Å; V77-Y83 HydrophobicContact CG1-CD1 4.35Å; V77-Y83 HydrophobicContact CG1-CE1 3.64Å; V77-Y83 HydrophobicContact CG2-CE1 4.31Å; V77-Y83 HydrophobicContact CG2-CE2 4.29Å; T79-Y83 WeakPolarHBondContact O-CE2 3.26Å; T79-Y83 PolarHBondContact O-OH 3.23Å; T79-Y83 PolarHBondContact OG1-OH 3.07Å; Y83-P95 WeakPolarHBondContact O-CA 3.14Å; Y83-I96 PolarHBondContact N-O 2.9Å; Y83-I96 PolarHBondContact O-N 3.29Å; Y83-L98 HydrophobicContact CD2-CB 4.07Å; Y83-L98 HydrophobicContact CE2-CB 3.85Å; Y83-L98 HydrophobicContact CE2-CD2 3.96Å |
| 84 | R | 96.9 | Very high | 93 | Very high | 75 Ų | 75 | 48 Ų | 48 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 155.8 | 169.8 | -63 | 177.7 | -176.9 | 85 | 1.8 | 109.4 | Y62 V92 S93 P95 | Y62-R84 HydrophobicContact CD2-CB 4.49Å; Y62-R84 PolarHBondContact N-O 2.94Å; Y62-R84 PolarHBondContact O-N 3.38Å; R84-V92 HydrophobicContact CB-CG1 3.68Å; R84-V92 HydrophobicContact CG-CG1 4.23Å; R84-S93 WeakPolarHBondContact CA-OG 3.44Å; R84-P95 HydrophobicContact CG-CB 4.06Å |
| 85 | C | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 162 | 170.2 | 74.2 | 0 | 0 | 0 | 0 | 111.5 | L25 C44 T59 L60 W61 S93 | L25-C85 HydrophobicContact CD1-CB 4.44Å; C44-C85 HydrophobicContact CB-CB 3.63Å; C44-C85 WeakPolarHBondContact CB-SG 3.45Å; C44-C85 WeakPolarHBondContact SG-CB 3.49Å; C44-C85 CovalentContact SG-SG 2.04Å; C44-C85 PolarHBondContact SG-SG 2.79Å; T59-C85 HydrophobicContact CG2-CB 4.34Å; L60-C85 CarbonylContact O-C 3.6Å; L60-C85 VanDerWaalsContact O-CA 3.28Å; L60-C85 WeakPolarHBondContact O-CA 3.23Å; W61-C85 HydrophobicContact CD2-CB 4.19Å; W61-C85 HydrophobicContact CE3-CB 3.88Å; W61-C85 HydrophobicContact CH2-CB 4.18Å; W61-C85 HydrophobicContact CZ2-CB 4.47Å; W61-C85 HydrophobicContact CZ3-CB 3.88Å; C85-S93 PolarHBondContact N-OG 2.76Å; C85-S93 WeakPolarHBondContact O-CB 3.4Å; C85-S93 PolarHBondContact O-N 3.31Å; C85-S93 PolarHBondContact O-OG 2.72Å |
| 86 | Q | 92.8 | Very high | 93.1 | Very high | 48 Ų | 48 | 47.6 Ų | 47.6 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 128.6 | 174.8 | -174.5 | -180 | 18.9 | 0 | 0 | 109.1 | T59 L60 Y62 A90 V92 | T59-Q86 WeakPolarHBondContact CA-O 3.29Å; L60-Q86 HydrophobicContact CB-CB 4.37Å; L60-Q86 PolarHBondContact N-O 2.79Å; L60-Q86 PolarHBondContact O-N 2.73Å; Y62-Q86 HydrophobicContact CE2-CB 3.93Å; Y62-Q86 PolarHBondContact OH-OE1 2.92Å; Y62-Q86 VanDerWaalsContact OH-OE1 3.06Å; Q86-A90 WeakPolarHBondContact CG-O 3.31Å; Q86-A90 PolarHBondContact NE2-O 2.71Å; Q86-V92 HydrophobicContact CB-CG2 4.38Å; Q86-V92 HydrophobicContact CG-CG2 4.39Å |
| 87 | T | 89.1 | Confident | 93 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 158.5 | 168.2 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | P23 Y47 G89 A90 | P23-T87 HydrophobicContact CB-CG2 4.07Å; Y47-T87 WeakPolarHBondContact O-CB 3.37Å; Y47-T87 PolarHBondContact O-OG1 2.93Å; T87-G89 PolarHBondContact O-N 2.79Å; T87-G89 VanDerWaalsContact O-N 3.17Å; T87-A90 WeakPolarHBondContact O-CB 3.26Å; T87-A90 PolarHBondContact O-N 3.34Å; T87-A90 WeakPolarHBondContact OG1-CB 3.47Å |
| 88 | R | 79.6 | Confident | 93.1 | Very high | 94 Ų | 94 | 47.2 Ų | 47.2 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 120.3 | -172.7 | -174.7 | 175.4 | -179.6 | 177.6 | -2.3 | 112.7 | S58 A90 | S58-R88 PolarHBondContact O-N 3.17Å; R88-A90 PolarHBondContact O-N 2.75Å |
| 89 | G | 78.8 | Confident | 93.1 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 69% | 0.691 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | -5.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T87 | T87-G89 PolarHBondContact O-N 2.79Å; T87-G89 VanDerWaalsContact O-N 3.17Å |
| 90 | A | 86.6 | Confident | 93.2 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -86.7 | 156.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | L20 Q86 T87 R88 | L20-A90 HydrophobicContact CD2-CB 3.93Å; L20-A90 HydrophobicContact CG-CB 4.33Å; Q86-A90 WeakPolarHBondContact CG-O 3.31Å; Q86-A90 PolarHBondContact NE2-O 2.71Å; T87-A90 WeakPolarHBondContact O-CB 3.26Å; T87-A90 PolarHBondContact O-N 3.34Å; T87-A90 WeakPolarHBondContact OG1-CB 3.47Å; R88-A90 PolarHBondContact O-N 2.75Å |
| 91 | P | 91.1 | Very high | 93.2 | Very high | 68 Ų | 68 | 41.2 Ų | 41.2 | 44% | 0.442 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -56.9 | 165.7 | 159.9 | -21 | 32.4 | 0 | 0 | 0 | 111.7 | L20 K22 P23 | L20-P91 WeakPolarHBondContact O-CD 3.5Å; K22-P91 HydrophobicContact CB-CB 4.02Å; K22-P91 HydrophobicContact CB-CG 4.39Å; P23-P91 WeakPolarHBondContact CD-O 3.49Å |
| 92 | V | 93.4 | Very high | 93.1 | Very high | 60 Ų | 60 | 46 Ų | 46 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 144.6 | 173.2 | -176.5 | 0 | 0 | 0 | 0 | 110 | R84 Q86 | R84-V92 HydrophobicContact CB-CG1 3.68Å; R84-V92 HydrophobicContact CG-CG1 4.23Å; Q86-V92 HydrophobicContact CB-CG2 4.38Å; Q86-V92 HydrophobicContact CG-CG2 4.39Å |
| 93 | S | 95.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 162.4 | 177.2 | 78.3 | 0 | 0 | 0 | 0 | 113 | P23 R84 C85 | P23-S93 WeakPolarHBondContact O-CB 3.4Å; R84-S93 WeakPolarHBondContact CA-OG 3.44Å; C85-S93 PolarHBondContact N-OG 2.76Å; C85-S93 WeakPolarHBondContact O-CB 3.4Å; C85-S93 PolarHBondContact O-N 3.31Å; C85-S93 PolarHBondContact O-OG 2.72Å |
| 94 | D | 93.5 | Very high | 92.8 | Very high | 90 Ų | 90 | 53.3 Ų | 53.3 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 148.4 | 160.5 | -69.2 | -26.2 | 0 | 0 | 0 | 110.4 | K22 | K22-D94 VanDerWaalsContact CE-OD2 3.31Å; K22-D94 WeakPolarHBondContact CE-OD2 3.33Å; K22-D94 IonicContact NZ-OD1 3.23Å; K22-D94 PolarHBondContact NZ-OD1 3.01Å; K22-D94 IonicContact NZ-OD2 3.9Å; K22-D94 PolarHBondContact NZ-OD2 2.88Å |
| 95 | P | 95.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 49.7 Ų | 49.7 | 36% | 0.357 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 144.6 | -178.3 | 29.1 | -32.9 | 0 | 0 | 0 | 113.5 | V82 Y83 R84 | V82-P95 HydrophobicContact CG1-CB 3.48Å; V82-P95 VanDerWaalsContact CG1-CB 3.48Å; Y83-P95 WeakPolarHBondContact O-CA 3.14Å; R84-P95 HydrophobicContact CG-CB 4.06Å |
| 96 | I | 96.3 | Very high | 92.9 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.046 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.2 | 161.8 | -65.5 | -173.5 | 0 | 0 | 0 | 109.2 | L25 L27 L42 V82 Y83 Y111 | L25-I96 HydrophobicContact CB-CD1 4.49Å; L25-I96 HydrophobicContact CD2-CB 4.15Å; L25-I96 HydrophobicContact CD2-CD1 4.15Å; L25-I96 HydrophobicContact CD2-CG1 3.9Å; L25-I96 HydrophobicContact CG-CD1 3.75Å; L25-I96 HydrophobicContact CG-CG1 4.02Å; L27-I96 HydrophobicContact CB-CD1 3.81Å; L27-I96 HydrophobicContact CD2-CG2 4.1Å; L42-I96 HydrophobicContact CD2-CD1 4.24Å; V82-I96 WeakPolarHBondContact CA-O 3.25Å; Y83-I96 PolarHBondContact N-O 2.9Å; Y83-I96 PolarHBondContact O-N 3.29Å; I96-Y111 HydrophobicContact CD1-CD2 3.37Å; I96-Y111 HydrophobicContact CD1-CE2 3.73Å; I96-Y111 HydrophobicContact CD1-CG 4.07Å; I96-Y111 HydrophobicContact CG1-CD2 4.01Å |
| 97 | H | 95.7 | Very high | 93.1 | Very high | 110 Ų | 110 | 47.7 Ų | 47.7 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 108.8 | 174.4 | -68.4 | -111.7 | 0 | 0 | 0 | 109.3 | ||
| 98 | L | 97 | Very high | 93.5 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 129 | 175.8 | -172.7 | 67.5 | 0 | 0 | 0 | 110.1 | L27 I34 V40 V77 P80 G81 Y83 | L27-L98 HydrophobicContact CD2-CD1 4.4Å; I34-L98 HydrophobicContact CD1-CD1 4.44Å; I34-L98 HydrophobicContact CD1-CD2 4.32Å; I34-L98 HydrophobicContact CG1-CD1 4.46Å; V40-L98 HydrophobicContact CG2-CD1 3.98Å; V40-L98 HydrophobicContact CG2-CD2 3.69Å; V77-L98 HydrophobicContact CG2-CD2 3.76Å; P80-L98 CarbonylContact C-O 3.6Å; P80-L98 VanDerWaalsContact CA-O 3.29Å; P80-L98 WeakPolarHBondContact CA-O 3.32Å; G81-L98 PolarHBondContact N-O 2.96Å; G81-L98 PolarHBondContact O-N 2.94Å; Y83-L98 HydrophobicContact CD2-CB 4.07Å; Y83-L98 HydrophobicContact CE2-CB 3.85Å; Y83-L98 HydrophobicContact CE2-CD2 3.96Å |
| 99 | S | 96.7 | Very high | 94.4 | Very high | 60 Ų | 60 | 43.7 Ų | 43.7 | 42% | 0.42 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 138.2 | 176.9 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | T32 T33 I34 | T32-S99 PolarHBondContact O-N 2.9Å; T33-S99 WeakPolarHBondContact CA-O 3.31Å; I34-S99 PolarHBondContact N-O 3.07Å |
| 100 | V | 96.9 | Very high | 95.2 | Very high | 39 Ų | 39 | 42 Ų | 42 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 125.6 | 179.7 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | I34 K36 P80 | I34-V100 HydrophobicContact CD1-CG2 4.15Å; I34-V100 HydrophobicContact CG1-CB 4.49Å; I34-V100 HydrophobicContact CG1-CG2 3.88Å; I34-V100 WeakPolarHBondContact O-CA 3.3Å; K36-V100 HydrophobicContact CB-CG1 4.03Å; P80-V100 HydrophobicContact CB-CB 4.22Å; P80-V100 HydrophobicContact CB-CG2 3.97Å; P80-V100 HydrophobicContact CG-CB 4.4Å; P80-V100 HydrophobicContact CG-CG2 4.35Å |
| 101 | S | 96.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 152 | -176.8 | 174.9 | 0 | 0 | 0 | 0 | 112.6 | I34 F35 K36 D103 | I34-S101 PolarHBondContact O-N 2.93Å; F35-S101 CarbonylContact C-O 3.55Å; F35-S101 WeakPolarHBondContact CA-O 3.47Å; K36-S101 PolarHBondContact N-O 2.88Å; S101-D103 VanDerWaalsContact OG-CB 3.28Å; S101-D103 WeakPolarHBondContact OG-CB 3.37Å; S101-D103 PolarHBondContact OG-N 2.94Å; S101-D103 PolarHBondContact OG-OD2 3.38Å |
| 102 | N | 94.6 | Very high | 95.6 | Very high | 125 Ų | 125 | 44.8 Ų | 44.8 | 67% | 0.668 | 24% | 0.239 | S | C | * | . | trans | -105.4 | 4 | 170.3 | -57.3 | -39.5 | 0 | 0 | 0 | 112.1 | K36 | K36-N102 WeakPolarHBondContact CB-OD1 3.33Å; K36-N102 WeakPolarHBondContact CD-OD1 3.12Å | ||
| 103 | D | 93.4 | Very high | 95.4 | Very high | 68 Ų | 68 | 45.6 Ų | 45.6 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -66.9 | 163.1 | -179.1 | -55.5 | -41 | 0 | 0 | 0 | 110.7 | F35 S101 L105 | F35-D103 VanDerWaalsContact CE1-O 3.24Å; F35-D103 WeakPolarHBondContact CE1-O 3.36Å; S101-D103 VanDerWaalsContact OG-CB 3.28Å; S101-D103 WeakPolarHBondContact OG-CB 3.37Å; S101-D103 PolarHBondContact OG-N 2.94Å; S101-D103 PolarHBondContact OG-OD2 3.38Å; D103-L105 VanDerWaalsContact C-N 3.34Å |
| 104 | W | 93.5 | Very high | 95.4 | Very high | 119 Ų | 119 | 45.9 Ų | 45.9 | 45% | 0.451 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -70.6 | -30 | 174.4 | -67.5 | 105.3 | 0 | 0 | 0 | 113.7 | W127 M172 I174 M181 | W104-W127 AromaticContact CE3-CE3 3.87Å; W104-W127 HydrophobicContact CE3-CE3 3.87Å; W104-W127 HydrophobicContact CE3-CZ3 4.45Å; W104-W127 HydrophobicContact CH2-CE3 4.43Å; W104-W127 HydrophobicContact CH2-CZ3 4.21Å; W104-W127 AromaticContact CZ3-CE3 3.49Å; W104-W127 HydrophobicContact CZ3-CE3 3.49Å; W104-W127 VanDerWaalsContact CZ3-CE3 3.49Å; W104-W127 AromaticContact CZ3-CZ3 3.68Å; W104-W127 HydrophobicContact CZ3-CZ3 3.68Å; W104-W127 PolarHBondContact O-N 2.67Å; W104-M172 HydrophobicContact CB-CE 3.85Å; W104-M172 HydrophobicContact CD2-CE 4.49Å; W104-M172 HydrophobicContact CE3-CE 3.88Å; W104-M172 VanDerWaalsContact O-CE 3.28Å; W104-M172 WeakPolarHBondContact O-CE 3.43Å; W104-I174 HydrophobicContact CD2-CD1 3.85Å; W104-I174 HydrophobicContact CE3-CD1 3.52Å; W104-I174 HydrophobicContact CE3-CG1 4.43Å; W104-I174 HydrophobicContact CH2-CD1 4.17Å; W104-I174 HydrophobicContact CH2-CG2 4.13Å; W104-I174 HydrophobicContact CZ2-CD1 4.46Å; W104-I174 HydrophobicContact CZ3-CD1 3.68Å; W104-I174 HydrophobicContact CZ3-CG1 4.23Å; W104-I174 HydrophobicContact CZ3-CG2 4.33Å; W104-M181 HydrophobicContact CB-CB 4.27Å; W104-M181 HydrophobicContact CB-CG 4.09Å; W104-M181 HydrophobicContact CB-SD 3.31Å; W104-M181 WeakPolarHBondContact CB-SD 3.3Å; W104-M181 HydrophobicContact CD2-SD 4.08Å; W104-M181 HydrophobicContact CG-CG 4.3Å; W104-M181 HydrophobicContact CG-SD 3.47Å |
| 105 | L | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 139 | 178 | -59.1 | -175.1 | 0 | 0 | 0 | 109.8 | D103 R125 V132 M172 M181 S183 | D103-L105 VanDerWaalsContact C-N 3.34Å; L105-R125 WeakPolarHBondContact CA-O 3.47Å; L105-V132 HydrophobicContact CD1-CG1 4.31Å; L105-V132 HydrophobicContact CD2-CG1 4.09Å; L105-V132 HydrophobicContact CD2-CG2 3.58Å; L105-M172 HydrophobicContact CD2-CE 4.27Å; L105-M172 HydrophobicContact CD2-CG 4.06Å; L105-M172 HydrophobicContact CD2-SD 3.84Å; L105-M181 HydrophobicContact CD1-CB 4.05Å; L105-M181 VanDerWaalsContact CD1-O 3.32Å; L105-M181 WeakPolarHBondContact CD1-O 2.98Å; L105-M181 HydrophobicContact CG-CB 4.03Å; L105-S183 WeakPolarHBondContact O-CA 3.29Å; L105-S183 WeakPolarHBondContact O-CB 3.46Å |
| 106 | I | 97.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 148.2 | 166.4 | 60.8 | 176 | 0 | 0 | 0 | 111 | T33 F35 Q108 C124 R125 | T33-I106 HydrophobicContact CG2-CB 3.97Å; T33-I106 HydrophobicContact CG2-CD1 4.41Å; T33-I106 HydrophobicContact CG2-CG2 4.07Å; F35-I106 HydrophobicContact CD1-CD1 4.44Å; F35-I106 HydrophobicContact CD1-CG2 3.87Å; F35-I106 HydrophobicContact CD2-CD1 3.91Å; F35-I106 HydrophobicContact CD2-CG1 4.41Å; F35-I106 HydrophobicContact CE1-CB 4.28Å; F35-I106 HydrophobicContact CE1-CD1 4.37Å; F35-I106 HydrophobicContact CE1-CG1 4.07Å; F35-I106 HydrophobicContact CE1-CG2 3.55Å; F35-I106 HydrophobicContact CE2-CD1 3.81Å; F35-I106 HydrophobicContact CE2-CG1 3.84Å; F35-I106 HydrophobicContact CG-CD1 4.22Å; F35-I106 HydrophobicContact CZ-CB 4.29Å; F35-I106 HydrophobicContact CZ-CD1 4.06Å; F35-I106 HydrophobicContact CZ-CG1 3.65Å; F35-I106 HydrophobicContact CZ-CG2 4.05Å; I106-Q108 HydrophobicContact CD1-CG 3.94Å; I106-Q108 HydrophobicContact CG1-CG 4.16Å; I106-C124 WeakPolarHBondContact O-CA 3.36Å; I106-R125 HydrophobicContact CG1-CB 4.06Å; I106-R125 PolarHBondContact N-O 2.88Å; I106-R125 PolarHBondContact O-N 3.31Å |
| 107 | L | 98.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 118.8 | 164.9 | -176.9 | 65.6 | 0 | 0 | 0 | 109.2 | T33 V109 L122 Y137 Y166 V186 | T33-L107 WeakPolarHBondContact CB-O 3.34Å; T33-L107 PolarHBondContact OG1-O 2.85Å; T33-L107 VanDerWaalsContact OG1-O 3.07Å; L107-V109 HydrophobicContact CD2-CG1 4.31Å; L107-V109 HydrophobicContact CG-CG1 4.12Å; L107-L122 HydrophobicContact CD1-CB 4.3Å; L107-Y137 HydrophobicContact CD1-CD1 4.17Å; L107-Y137 HydrophobicContact CD1-CE1 3.8Å; L107-Y166 VanDerWaalsContact CD2-CB 3.47Å; L107-V186 HydrophobicContact CB-CG2 4.13Å; L107-V186 HydrophobicContact CD2-CB 4.27Å; L107-V186 HydrophobicContact CD2-CG2 4.31Å; L107-V186 HydrophobicContact CG-CG2 4.48Å |
| 108 | Q | 97.8 | Very high | 95.5 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.023 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.2 | 174.4 | -60.5 | -167.1 | -59.1 | 0 | 0 | 109.5 | W31 T33 I106 R123 | W31-Q108 HydrophobicContact CB-CB 3.87Å; W31-Q108 HydrophobicContact CB-CG 4.12Å; W31-Q108 HydrophobicContact CD2-CB 3.75Å; W31-Q108 HydrophobicContact CE3-CB 3.71Å; W31-Q108 HydrophobicContact CG-CB 3.83Å; W31-Q108 HydrophobicContact CG-CG 4.24Å; W31-Q108 HydrophobicContact CZ3-CB 4.49Å; T33-Q108 WeakPolarHBondContact O-CG 3.36Å; T33-Q108 PolarHBondContact O-NE2 3.01Å; I106-Q108 HydrophobicContact CD1-CG 3.94Å; I106-Q108 HydrophobicContact CG1-CG 4.16Å; Q108-R123 HydrophobicContact CB-CB 4.2Å; Q108-R123 WeakPolarHBondContact CB-O 3.29Å; Q108-R123 PolarHBondContact N-O 2.97Å; Q108-R123 PolarHBondContact O-N 2.62Å |
| 109 | V | 97 | Very high | 95.4 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 5% | 0.048 | 23% | 0.231 | C | C | . | . | trans | -125.9 | 153.6 | 177.5 | -47.1 | 0 | 0 | 0 | 0 | 108.8 | W31 T32 L107 L122 V186 V188 | W31-V109 WeakPolarHBondContact CA-O 3.16Å; T32-V109 HydrophobicContact CG2-CG2 4.29Å; T32-V109 PolarHBondContact N-O 2.9Å; T32-V109 VanDerWaalsContact N-O 3.11Å; T32-V109 VanDerWaalsContact OG1-CG2 3.3Å; T32-V109 WeakPolarHBondContact OG1-CG2 3.32Å; L107-V109 HydrophobicContact CD2-CG1 4.31Å; L107-V109 HydrophobicContact CG-CG1 4.12Å; V109-L122 HydrophobicContact CB-CD2 4.08Å; V109-L122 HydrophobicContact CG1-CD2 3.6Å; V109-V186 HydrophobicContact CB-CG1 4.45Å; V109-V186 HydrophobicContact CG1-CB 4.17Å; V109-V186 HydrophobicContact CG1-CG1 3.81Å; V109-V186 HydrophobicContact CG2-CG1 3.7Å; V109-V188 HydrophobicContact CB-CG2 4.2Å; V109-V188 HydrophobicContact CG1-CG2 3.92Å; V109-V188 HydrophobicContact CG2-CG2 4.5Å | ||
| 110 | P | 95.3 | Very high | 95.4 | Very high | 30 Ų | 30 | 39 Ų | 39 | 20% | 0.195 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -64.4 | 141.3 | 179.8 | 26.3 | -34.8 | 0 | 0 | 0 | 111.3 | P30 T112 V114 L120 V121 | P30-P110 WeakPolarHBondContact O-CA 3.39Å; P110-T112 VanDerWaalsContact C-N 3.31Å; P110-V114 HydrophobicContact CG-CG2 3.86Å; P110-L120 HydrophobicContact CG-CD1 4.17Å; P110-V121 WeakPolarHBondContact CD-O 3.36Å |
| 111 | Y | 94.1 | Very high | 95.4 | Very high | 65 Ų | 65 | 39.1 Ų | 39.1 | 26% | 0.255 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -74.5 | -23.1 | 172.9 | 76.4 | -87.3 | 0 | 0 | 0 | 113.3 | S26 L27 P30 I96 | S26-Y111 WeakPolarHBondContact CA-OH 3.46Å; S26-Y111 WeakPolarHBondContact CB-OH 3.46Å; L27-Y111 HydrophobicContact CB-CD1 3.79Å; L27-Y111 HydrophobicContact CB-CD2 4.4Å; L27-Y111 HydrophobicContact CB-CE1 3.95Å; L27-Y111 HydrophobicContact CB-CG 4.01Å; L27-Y111 HydrophobicContact CD2-CD1 4.39Å; L27-Y111 HydrophobicContact CD2-CG 4.44Å; L27-Y111 WeakPolarHBondContact O-CE1 3.39Å; P30-Y111 HydrophobicContact CB-CD1 3.89Å; P30-Y111 HydrophobicContact CB-CE1 3.75Å; P30-Y111 WeakPolarHBondContact O-CD1 3.31Å; P30-Y111 PolarHBondContact O-N 3.24Å; I96-Y111 HydrophobicContact CD1-CD2 3.37Å; I96-Y111 HydrophobicContact CD1-CE2 3.73Å; I96-Y111 HydrophobicContact CD1-CG 4.07Å; I96-Y111 HydrophobicContact CG1-CD2 4.01Å |
| 112 | T | 92.2 | Very high | 95.5 | Very high | 67 Ų | 67 | 38.4 Ų | 38.4 | 41% | 0.411 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -77.8 | 139.4 | 179.1 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | P110 V114 | P110-T112 VanDerWaalsContact C-N 3.31Å; T112-V114 PolarHBondContact O-N 3.06Å |
| 113 | P | 90.4 | Very high | 95.7 | Very high | 77 Ų | 77 | 36.1 Ų | 36.1 | 50% | 0.5 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -61 | 127.6 | 171.3 | 26.8 | -33.5 | 0 | 0 | 0 | 109.9 | F115 Q191 | P113-F115 HydrophobicContact CB-CE2 4.31Å; P113-F115 HydrophobicContact CG-CE2 4.2Å; P113-Q191 HydrophobicContact CB-CG 4.03Å |
| 114 | V | 95.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 33 Ų | 33 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128.2 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | P110 T112 E118 L120 A158 V190 Q191 | P110-V114 HydrophobicContact CG-CG2 3.86Å; T112-V114 PolarHBondContact O-N 3.06Å; V114-E118 HydrophobicContact CG1-CB 4Å; V114-L120 HydrophobicContact CG1-CB 4.29Å; V114-L120 HydrophobicContact CG2-CD1 4.09Å; V114-A158 HydrophobicContact CG1-CB 4.01Å; V114-V190 CarbonylContact O-C 3.17Å; V114-V190 WeakPolarHBondContact O-CA 3.39Å; V114-Q191 PolarHBondContact O-N 2.69Å |
| 115 | F | 95.8 | Very high | 96 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 161.6 | 176.3 | -69.9 | -94.6 | 0 | 0 | 0 | 111.9 | P113 G117 E118 Q191 L193 H224 Q226 K227 | P113-F115 HydrophobicContact CB-CE2 4.31Å; P113-F115 HydrophobicContact CG-CE2 4.2Å; F115-G117 PolarHBondContact O-N 3.23Å; F115-E118 HydrophobicContact CB-CG 4.25Å; F115-E118 WeakPolarHBondContact CB-OE2 3.37Å; F115-E118 PolarHBondContact N-OE2 2.8Å; F115-E118 WeakPolarHBondContact O-CB 3.47Å; F115-E118 PolarHBondContact O-N 2.86Å; F115-E118 VanDerWaalsContact O-N 3.1Å; F115-Q191 WeakPolarHBondContact CA-O 3.28Å; F115-Q191 HydrophobicContact CD1-CB 3.54Å; F115-Q191 HydrophobicContact CE1-CB 3.52Å; F115-Q191 HydrophobicContact CE1-CG 4.27Å; F115-Q191 HydrophobicContact CG-CB 4.13Å; F115-Q191 HydrophobicContact CZ-CB 4.13Å; F115-Q191 HydrophobicContact CZ-CG 4.42Å; F115-L193 HydrophobicContact CB-CD1 4.37Å; F115-L193 HydrophobicContact CD1-CD1 4.47Å; F115-H224 HydrophobicContact CE1-CB 3.96Å; F115-H224 AromaticContact CE1-CD2 3.99Å; F115-H224 AromaticContact CE1-CE1 3.92Å; F115-H224 AromaticContact CE1-CG 3.58Å; F115-H224 AromaticContact CE1-ND1 3.52Å; F115-H224 AromaticContact CZ-ND1 3.92Å; F115-Q226 HydrophobicContact CZ-CB 4.18Å; F115-K227 HydrophobicContact CD1-CG 3.98Å; F115-K227 HydrophobicContact CD2-CD 4.37Å; F115-K227 HydrophobicContact CD2-CG 4.23Å; F115-K227 HydrophobicContact CE1-CG 3.96Å; F115-K227 HydrophobicContact CE2-CG 4.19Å; F115-K227 HydrophobicContact CG-CG 4.12Å; F115-K227 HydrophobicContact CZ-CG 4.06Å |
| 116 | E | 96.8 | Very high | 96 | Very high | 22 Ų | 22 | 28.3 Ų | 28.3 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 136.7 | 171.1 | -69.2 | 176.3 | 126.6 | 0 | 0 | 111.5 | E118 A158 V190 Q191 E192 L193 V276 K278 | E116-E118 PolarHBondContact O-N 3.06Å; E116-A158 CarbonylContact C-O 3.56Å; E116-A158 WeakPolarHBondContact CA-O 3.47Å; E116-V190 HydrophobicContact CG-CG1 4.19Å; E116-Q191 PolarHBondContact N-O 2.68Å; E116-E192 WeakPolarHBondContact OE2-CG 3.41Å; E116-L193 HydrophobicContact CB-CB 4.11Å; E116-L193 PolarHBondContact OE2-N 2.91Å; E116-V276 HydrophobicContact CB-CG1 4.22Å; E116-V276 HydrophobicContact CB-CG2 3.75Å; E116-V276 WeakPolarHBondContact O-CG2 3.28Å; E116-K278 IonicContact OE1-NZ 3.64Å; E116-K278 PolarHBondContact OE1-NZ 3.44Å; E116-K278 WeakPolarHBondContact OE2-CE 3.46Å; E116-K278 IonicContact OE2-NZ 2.91Å; E116-K278 PolarHBondContact OE2-NZ 3.17Å |
| 117 | G | 94.5 | Very high | 95.8 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 16% | 0.155 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | F115 A158 | F115-G117 PolarHBondContact O-N 3.23Å; G117-A158 PolarHBondContact N-O 3.3Å |
| 118 | E | 94.8 | Very high | 95.4 | Very high | 62 Ų | 62 | 40.8 Ų | 40.8 | 29% | 0.29 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -83.4 | 157.3 | 171.1 | -62.3 | -175.3 | 150.6 | 0 | 0 | 111.1 | V114 F115 E116 L120 A158 K227 | V114-E118 HydrophobicContact CG1-CB 4Å; F115-E118 HydrophobicContact CB-CG 4.25Å; F115-E118 WeakPolarHBondContact CB-OE2 3.37Å; F115-E118 PolarHBondContact N-OE2 2.8Å; F115-E118 WeakPolarHBondContact O-CB 3.47Å; F115-E118 PolarHBondContact O-N 2.86Å; F115-E118 VanDerWaalsContact O-N 3.1Å; E116-E118 PolarHBondContact O-N 3.06Å; E118-L120 PolarHBondContact O-N 2.92Å; E118-A158 WeakPolarHBondContact O-CB 3.3Å; E118-A158 PolarHBondContact O-N 3.39Å; E118-K227 IonicContact OE1-NZ 2.79Å; E118-K227 PolarHBondContact OE1-NZ 2.96Å; E118-K227 IonicContact OE2-NZ 3.66Å |
| 119 | P | 96.2 | Very high | 95.2 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 51% | 0.506 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -78.6 | 120.9 | 178.4 | 29.9 | -33.7 | 0 | 0 | 0 | 112 | T154 V155 | P119-T154 HydrophobicContact CB-CG2 4.32Å; P119-V155 CarbonylContact C-O 3.57Å; P119-V155 VanDerWaalsContact CA-O 3.3Å; P119-V155 WeakPolarHBondContact CA-O 3.35Å |
| 120 | L | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 117.2 | 168.2 | 171.7 | 62.9 | 0 | 0 | 0 | 109.2 | P110 V114 E118 L122 T154 V155 A158 Y166 V188 | P110-L120 HydrophobicContact CG-CD1 4.17Å; V114-L120 HydrophobicContact CG1-CB 4.29Å; V114-L120 HydrophobicContact CG2-CD1 4.09Å; E118-L120 PolarHBondContact O-N 2.92Å; L120-L122 HydrophobicContact CD1-CD2 4.05Å; L120-L122 HydrophobicContact CG-CD2 4.34Å; L120-L122 HydrophobicContact CG-CG 4.3Å; L120-T154 CarbonylContact O-C 3.57Å; L120-T154 WeakPolarHBondContact O-CA 3.28Å; L120-V155 HydrophobicContact CB-CB 4.27Å; L120-V155 PolarHBondContact N-O 3.07Å; L120-V155 PolarHBondContact O-N 2.74Å; L120-A158 HydrophobicContact CB-CB 4.28Å; L120-Y166 HydrophobicContact CD2-CE2 4.32Å; L120-V188 HydrophobicContact CD1-CG1 3.83Å; L120-V188 HydrophobicContact CD2-CG1 3.91Å |
| 121 | V | 97.3 | Very high | 94.9 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 26% | 0.255 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.4 | 178.5 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | W31 P110 N152 T154 | W31-V121 HydrophobicContact CH2-CG1 4.26Å; P110-V121 WeakPolarHBondContact CD-O 3.36Å; V121-N152 HydrophobicContact CG1-CB 4.16Å; V121-T154 HydrophobicContact CG2-CG2 3.96Å |
| 122 | L | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.4 | 177.1 | -57.5 | 173.8 | 0 | 0 | 0 | 109.2 | L107 V109 L120 Y137 N152 Y153 Y166 V188 | L107-L122 HydrophobicContact CD1-CB 4.3Å; V109-L122 HydrophobicContact CB-CD2 4.08Å; V109-L122 HydrophobicContact CG1-CD2 3.6Å; L120-L122 HydrophobicContact CD1-CD2 4.05Å; L120-L122 HydrophobicContact CG-CD2 4.34Å; L120-L122 HydrophobicContact CG-CG 4.3Å; L122-Y137 HydrophobicContact CB-CE1 4.14Å; L122-Y137 PolarHBondContact O-OH 3.5Å; L122-N152 CarbonylContact O-C 3.59Å; L122-N152 WeakPolarHBondContact O-CA 3.32Å; L122-Y153 HydrophobicContact CD1-CD1 3.85Å; L122-Y153 HydrophobicContact CD1-CE1 4.23Å; L122-Y153 PolarHBondContact N-O 3.3Å; L122-Y153 PolarHBondContact O-N 2.87Å; L122-Y166 HydrophobicContact CD1-CD1 3.44Å; L122-Y166 VanDerWaalsContact CD1-CD1 3.44Å; L122-Y166 HydrophobicContact CD1-CD2 4.22Å; L122-Y166 HydrophobicContact CD1-CE1 3.63Å; L122-Y166 HydrophobicContact CD1-CE2 4.35Å; L122-Y166 HydrophobicContact CD1-CG 3.75Å; L122-V188 HydrophobicContact CD2-CG2 4.24Å |
| 123 | R | 98 | Very high | 95.1 | Very high | 77 Ų | 77 | 48 Ų | 48 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 111 | 179 | 175.4 | 175.9 | -179.1 | -162.8 | -3.1 | 110.7 | W31 Q108 D129 N152 | W31-R123 HydrophobicContact CH2-CB 4.15Å; W31-R123 HydrophobicContact CZ2-CB 4.36Å; W31-R123 HydrophobicContact CZ3-CB 4.42Å; Q108-R123 HydrophobicContact CB-CB 4.2Å; Q108-R123 WeakPolarHBondContact CB-O 3.29Å; Q108-R123 PolarHBondContact N-O 2.97Å; Q108-R123 PolarHBondContact O-N 2.62Å; R123-D129 IonicContact NH2-OD1 3.65Å; R123-D129 PolarHBondContact NH2-OD1 3.04Å; R123-N152 WeakPolarHBondContact CB-OD1 3.5Å; R123-N152 WeakPolarHBondContact CG-OD1 3.37Å |
| 124 | C | 98 | Very high | 95.3 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 133.2 | 164.1 | -165.3 | 0 | 0 | 0 | 0 | 109.3 | I106 L135 Y137 C168 | I106-C124 WeakPolarHBondContact O-CA 3.36Å; C124-L135 HydrophobicContact CB-CD1 3.58Å; C124-L135 HydrophobicContact CB-CD2 4.22Å; C124-L135 VanDerWaalsContact SG-CD1 3.56Å; C124-Y137 HydrophobicContact CB-CE1 3.97Å; C124-Y137 PolarHBondContact N-OH 3.24Å; C124-C168 HydrophobicContact CB-CB 3.52Å; C124-C168 WeakPolarHBondContact CB-SG 3.46Å; C124-C168 WeakPolarHBondContact SG-CB 3.01Å; C124-C168 CovalentContact SG-SG 2.04Å; C124-C168 PolarHBondContact SG-SG 2.88Å |
| 125 | R | 96.6 | Very high | 95.4 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 133.2 | -179.1 | -162.6 | 167.9 | 65.7 | 118.5 | -3 | 110.3 | F35 E38 L105 I106 D129 | F35-R125 HydrophobicContact CE2-CG 4.35Å; F35-R125 WeakPolarHBondContact CZ-O 3.43Å; E38-R125 IonicContact OE1-CZ 2.73Å; E38-R125 VanDerWaalsContact OE1-CZ 3.22Å; E38-R125 IonicContact OE1-NH1 2.75Å; E38-R125 PolarHBondContact OE1-NH1 2.97Å; E38-R125 IonicContact OE1-NH2 3.9Å; E38-R125 PolarHBondContact OE1-NH2 2.83Å; E38-R125 IonicContact OE2-CZ 2.65Å; E38-R125 IonicContact OE2-NH1 2.72Å; E38-R125 IonicContact OE2-NH2 2.94Å; E38-R125 PolarHBondContact OE2-NH2 2.89Å; L105-R125 WeakPolarHBondContact CA-O 3.47Å; I106-R125 HydrophobicContact CG1-CB 4.06Å; I106-R125 PolarHBondContact N-O 2.88Å; I106-R125 PolarHBondContact O-N 3.31Å; R125-D129 WeakPolarHBondContact CD-OD1 3.28Å; R125-D129 WeakPolarHBondContact CG-OD1 3.43Å; R125-D129 IonicContact NH1-OD1 3.31Å; R125-D129 IonicContact NH1-OD2 2.71Å; R125-D129 PolarHBondContact NH1-OD2 3.39Å |
| 126 | G | 95.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 151.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F35 D129 M172 | F35-G126 WeakPolarHBondContact CE2-O 3.36Å; F35-G126 VanDerWaalsContact CZ-C 3.48Å; G126-D129 WeakPolarHBondContact O-CA 3.48Å; G126-D129 PolarHBondContact O-N 3.02Å; G126-M172 WeakPolarHBondContact CA-SD 3.35Å |
| 127 | W | 93 | Very high | 95.6 | Very high | 98 Ų | 98 | 51.6 Ų | 51.6 | 37% | 0.371 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -57.9 | 140.5 | 176 | -173.3 | 55 | 0 | 0 | 0 | 111.5 | F35 W104 D129 K130 M172 | F35-W127 AromaticContact CD1-CD1 3.9Å; F35-W127 HydrophobicContact CE1-CB 4.08Å; F35-W127 AromaticContact CG-CD1 3.98Å; F35-W127 VanDerWaalsContact CZ-CA 3.47Å; F35-W127 HydrophobicContact CZ-CB 4.06Å; F35-W127 VanDerWaalsContact CZ-N 3.31Å; W104-W127 AromaticContact CE3-CE3 3.87Å; W104-W127 HydrophobicContact CE3-CE3 3.87Å; W104-W127 HydrophobicContact CE3-CZ3 4.45Å; W104-W127 HydrophobicContact CH2-CE3 4.43Å; W104-W127 HydrophobicContact CH2-CZ3 4.21Å; W104-W127 AromaticContact CZ3-CE3 3.49Å; W104-W127 HydrophobicContact CZ3-CE3 3.49Å; W104-W127 VanDerWaalsContact CZ3-CE3 3.49Å; W104-W127 AromaticContact CZ3-CZ3 3.68Å; W104-W127 HydrophobicContact CZ3-CZ3 3.68Å; W104-W127 PolarHBondContact O-N 2.67Å; W127-D129 PolarHBondContact O-N 2.79Å; W127-K130 WeakPolarHBondContact O-CB 3.35Å; W127-K130 WeakPolarHBondContact O-CG 3.22Å; W127-K130 PolarHBondContact O-N 2.93Å; W127-M172 HydrophobicContact CB-CE 4.44Å |
| 128 | Y | 90.9 | Very high | 95.8 | Very high | 169 Ų | 169 | 52.9 Ų | 52.9 | 66% | 0.663 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | 50.5 | 35.9 | -167.2 | -70.4 | -70.3 | 0 | 0 | 0 | 114.3 | K130 | Y128-K130 PolarHBondContact O-N 2.76Š|
| 129 | D | 92.4 | Very high | 95.9 | Very high | 87 Ų | 87 | 51.8 Ų | 51.8 | 47% | 0.465 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | 52 | 25.2 | -178.3 | -82.6 | -81.7 | 0 | 0 | 0 | 114.2 | R123 R125 G126 W127 | R123-D129 IonicContact NH2-OD1 3.65Å; R123-D129 PolarHBondContact NH2-OD1 3.04Å; R125-D129 WeakPolarHBondContact CD-OD1 3.28Å; R125-D129 WeakPolarHBondContact CG-OD1 3.43Å; R125-D129 IonicContact NH1-OD1 3.31Å; R125-D129 IonicContact NH1-OD2 2.71Å; R125-D129 PolarHBondContact NH1-OD2 3.39Å; G126-D129 WeakPolarHBondContact O-CA 3.48Å; G126-D129 PolarHBondContact O-N 3.02Å; W127-D129 PolarHBondContact O-N 2.79Å |
| 130 | K | 92.8 | Very high | 96 | Very high | 104 Ų | 104 | 52.3 Ų | 52.3 | 45% | 0.452 | 24% | 0.236 | S | C | . | . | trans | -64 | 146.6 | 177.2 | -70.6 | -171.6 | -169.2 | -57.6 | 0 | 111.2 | W127 Y128 V132 M172 | W127-K130 WeakPolarHBondContact O-CB 3.35Å; W127-K130 WeakPolarHBondContact O-CG 3.22Å; W127-K130 PolarHBondContact O-N 2.93Å; Y128-K130 PolarHBondContact O-N 2.76Å; K130-V132 PolarHBondContact O-N 2.81Å; K130-M172 HydrophobicContact CB-SD 4Å | ||
| 131 | V | 94.1 | Very high | 95.9 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 38% | 0.382 | 26% | 0.258 | S | S | . | . | trans | -64.5 | 126.1 | 177.9 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | Y133 | V131-Y133 HydrophobicContact CB-CE2 4.03Å; V131-Y133 HydrophobicContact CG1-CD1 4.29Å; V131-Y133 HydrophobicContact CG1-CD2 4.41Å; V131-Y133 HydrophobicContact CG1-CE1 3.9Å; V131-Y133 HydrophobicContact CG1-CE2 4.02Å | ||
| 132 | V | 95.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 111.5 | 173.9 | -173.4 | 0 | 0 | 0 | 0 | 107.5 | L105 K130 L135 S149 S150 M172 | L105-V132 HydrophobicContact CD1-CG1 4.31Å; L105-V132 HydrophobicContact CD2-CG1 4.09Å; L105-V132 HydrophobicContact CD2-CG2 3.58Å; K130-V132 PolarHBondContact O-N 2.81Å; V132-L135 HydrophobicContact CG1-CB 4.33Å; V132-L135 HydrophobicContact CG1-CD1 4.26Å; V132-S149 CarbonylContact O-C 3.51Å; V132-S149 WeakPolarHBondContact O-CA 3.35Å; V132-S150 PolarHBondContact N-OG 2.86Å; V132-S150 PolarHBondContact O-N 2.82Å; V132-M172 HydrophobicContact CG2-CG 4.18Å; V132-M172 HydrophobicContact CG2-SD 4.36Å |
| 133 | Y | 94.6 | Very high | 95.9 | Very high | 71 Ų | 71 | 62.9 Ų | 62.9 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 152.4 | 176.8 | -60.6 | -84 | 0 | 0 | 0 | 110.8 | V131 L135 H148 T171 R173 | V131-Y133 HydrophobicContact CB-CE2 4.03Å; V131-Y133 HydrophobicContact CG1-CD1 4.29Å; V131-Y133 HydrophobicContact CG1-CD2 4.41Å; V131-Y133 HydrophobicContact CG1-CE1 3.9Å; V131-Y133 HydrophobicContact CG1-CE2 4.02Å; Y133-L135 VanDerWaalsContact C-N 3.27Å; Y133-L135 PolarHBondContact O-N 2.89Å; Y133-H148 WeakPolarHBondContact CA-O 3.25Å; Y133-T171 WeakPolarHBondContact CB-O 3.45Å; Y133-T171 PolarHBondContact N-O 3.48Å; Y133-T171 PolarHBondContact O-N 2.86Å; Y133-R173 HydrophobicContact CD2-CG 4.26Å; Y133-R173 HydrophobicContact CE2-CG 3.76Å; Y133-R173 VanDerWaalsContact OH-CZ 3.31Å; Y133-R173 PolarHBondContact OH-NH1 3.17Å |
| 134 | K | 95.4 | Very high | 95.8 | Very high | 133 Ų | 133 | 62 Ų | 62 | 58% | 0.578 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.8 | 47.2 | -178.1 | -55.6 | 177.2 | -179.8 | 177.5 | 0 | 111.7 | H136 Y146 F147 H148 | K134-H136 PolarHBondContact O-CD2 2.97Å; K134-H136 VanDerWaalsContact O-CD2 3.3Å; K134-H136 PolarHBondContact O-N 2.82Å; K134-Y146 HydrophobicContact CB-CE2 4.17Å; K134-F147 CarbonylContact C-O 3.5Å; K134-H148 PolarHBondContact N-O 3.01Å |
| 135 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 120.2 | -174.8 | 169.2 | 58.5 | 0 | 0 | 0 | 110.6 | C124 V132 Y133 Y137 Y146 F147 C168 S169 | C124-L135 HydrophobicContact CB-CD1 3.58Å; C124-L135 HydrophobicContact CB-CD2 4.22Å; C124-L135 VanDerWaalsContact SG-CD1 3.56Å; V132-L135 HydrophobicContact CG1-CB 4.33Å; V132-L135 HydrophobicContact CG1-CD1 4.26Å; Y133-L135 VanDerWaalsContact C-N 3.27Å; Y133-L135 PolarHBondContact O-N 2.89Å; L135-Y137 HydrophobicContact CD1-CD2 4.44Å; L135-Y137 HydrophobicContact CD1-CE2 4.11Å; L135-Y137 HydrophobicContact CD2-CE2 3.7Å; L135-Y137 HydrophobicContact CG-CD2 4.27Å; L135-Y137 HydrophobicContact CG-CE2 3.85Å; L135-Y146 CarbonylContact O-C 3.55Å; L135-Y146 WeakPolarHBondContact O-CA 3.09Å; L135-F147 HydrophobicContact CB-CB 4.35Å; L135-F147 HydrophobicContact CD2-CD2 4.35Å; L135-F147 HydrophobicContact CG-CD2 4.44Å; L135-F147 PolarHBondContact N-O 3.43Å; L135-F147 PolarHBondContact O-N 2.8Å; L135-C168 HydrophobicContact CD1-CB 4.01Å; L135-S169 WeakPolarHBondContact CA-O 3.22Å |
| 136 | H | 98.1 | Very high | 95.8 | Very high | 61 Ų | 61 | 71.6 Ų | 71.6 | 28% | 0.282 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 139.5 | 169.6 | -71 | -92.4 | 0 | 0 | 0 | 110.9 | K134 Y138 R145 Y146 C168 S169 | K134-H136 PolarHBondContact O-CD2 2.97Å; K134-H136 VanDerWaalsContact O-CD2 3.3Å; K134-H136 PolarHBondContact O-N 2.82Å; H136-Y138 HydrophobicContact CB-CD2 4.42Å; H136-Y138 HydrophobicContact CB-CE2 3.57Å; H136-R145 WeakPolarHBondContact CA-O 3.48Å; H136-Y146 AromaticContact CD2-CD2 3.86Å; H136-Y146 AromaticContact CE1-CD2 3.39Å; H136-Y146 WeakPolarHBondContact CE1-CD2 3.32Å; H136-Y146 AromaticContact ND1-CD2 3.83Å; H136-Y146 AromaticContact NE2-CD2 3.39Å; H136-Y146 WeakPolarHBondContact NE2-CD2 3.39Å; H136-Y146 AromaticContact NE2-CE2 3.79Å; H136-C168 CarbonylContact O-C 3.53Å; H136-C168 WeakPolarHBondContact O-CA 3.38Å; H136-C168 WeakPolarHBondContact O-CB 3.37Å; H136-S169 PolarHBondContact N-O 3.37Å; H136-S169 PolarHBondContact O-N 2.97Å |
| 137 | Y | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 140.4 | 165 | -71.5 | -93.8 | 0 | 0 | 0 | 109.7 | L107 L122 C124 L135 A143 V144 R145 F147 A151 Y153 C168 | L107-Y137 HydrophobicContact CD1-CD1 4.17Å; L107-Y137 HydrophobicContact CD1-CE1 3.8Å; L122-Y137 HydrophobicContact CB-CE1 4.14Å; L122-Y137 PolarHBondContact O-OH 3.5Å; C124-Y137 HydrophobicContact CB-CE1 3.97Å; C124-Y137 PolarHBondContact N-OH 3.24Å; L135-Y137 HydrophobicContact CD1-CD2 4.44Å; L135-Y137 HydrophobicContact CD1-CE2 4.11Å; L135-Y137 HydrophobicContact CD2-CE2 3.7Å; L135-Y137 HydrophobicContact CG-CD2 4.27Å; L135-Y137 HydrophobicContact CG-CE2 3.85Å; Y137-A143 CarbonylContact O-C 3.56Å; Y137-A143 WeakPolarHBondContact O-CA 3.45Å; Y137-V144 WeakPolarHBondContact O-CG2 3.35Å; Y137-V144 PolarHBondContact O-N 3.37Å; Y137-R145 HydrophobicContact CD2-CB 4.44Å; Y137-R145 PolarHBondContact N-O 2.83Å; Y137-R145 PolarHBondContact O-N 2.85Å; Y137-F147 HydrophobicContact CD2-CD2 4.01Å; Y137-F147 AromaticContact CD2-CE2 3.81Å; Y137-F147 HydrophobicContact CD2-CE2 3.81Å; Y137-F147 AromaticContact CE2-CD2 3.82Å; Y137-F147 HydrophobicContact CE2-CD2 3.82Å; Y137-F147 AromaticContact CE2-CE2 3.65Å; Y137-F147 HydrophobicContact CE2-CE2 3.65Å; Y137-A151 WeakPolarHBondContact CE2-O 3Å; Y137-A151 PolarHBondContact OH-O 3.14Å; Y137-Y153 HydrophobicContact CD1-CD1 4.15Å; Y137-Y153 HydrophobicContact CD2-CG 4.36Å; Y137-Y153 AromaticContact CG-CD1 3.98Å; Y137-Y153 HydrophobicContact CG-CD1 3.98Å; Y137-Y153 HydrophobicContact CG-CG 4.23Å; Y137-C168 HydrophobicContact CD1-CB 4.2Å; Y137-C168 HydrophobicContact CE1-CB 4.33Å |
| 138 | Y | 98.3 | Very high | 96.1 | Very high | 42 Ų | 42 | 75.9 Ų | 75.9 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 144.7 | 179.9 | -54.3 | -104.7 | 0 | 0 | 0 | 110.3 | H136 Q142 A143 Y166 Q167 S169 F182 | H136-Y138 HydrophobicContact CB-CD2 4.42Å; H136-Y138 HydrophobicContact CB-CE2 3.57Å; Y138-Q142 CarbonylContact C-O 3.57Å; Y138-Q142 WeakPolarHBondContact CA-O 3.27Å; Y138-A143 HydrophobicContact CD1-CB 3.97Å; Y138-A143 HydrophobicContact CE1-CB 3.91Å; Y138-Y166 VanDerWaalsContact O-CA 3.25Å; Y138-Y166 WeakPolarHBondContact O-CA 3.44Å; Y138-Y166 VanDerWaalsContact O-CD1 3.31Å; Y138-Y166 WeakPolarHBondContact O-CD1 3.2Å; Y138-Q167 PolarHBondContact N-O 3.18Å; Y138-Q167 PolarHBondContact O-N 2.88Å; Y138-S169 VanDerWaalsContact CE2-OG 3.3Å; Y138-S169 WeakPolarHBondContact CE2-OG 3.3Å; Y138-S169 PolarHBondContact OH-OG 2.81Å; Y138-F182 HydrophobicContact CE2-CE1 4.27Å |
| 139 | H | 97.9 | Very high | 96.4 | Very high | 38 Ų | 38 | 70.7 Ų | 70.7 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 121.9 | 170.8 | 173.8 | -123.7 | 0 | 0 | 0 | 107.3 | G141 Q142 V144 S163 Y166 | H139-G141 PolarHBondContact O-N 2.83Å; H139-Q142 PolarHBondContact N-O 3.4Å; H139-Q142 PolarHBondContact O-N 3.21Å; H139-V144 HydrophobicContact CB-CG1 3.65Å; H139-V144 HydrophobicContact CB-CG2 4.22Å; H139-S163 PolarHBondContact NE2-O 3.3Å; H139-Y166 HydrophobicContact CB-CD1 4.05Å; H139-Y166 HydrophobicContact CB-CE1 3.69Å; H139-Y166 AromaticContact CD2-CE1 3.82Å; H139-Y166 AromaticContact CD2-CE2 3.76Å; H139-Y166 AromaticContact CD2-CZ 3.51Å; H139-Y166 AromaticContact CG-CE1 3.98Å |
| 140 | D | 97.1 | Very high | 96.5 | Very high | 90 Ų | 90 | 69 Ų | 69 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 36.1 | -175.2 | -67.1 | -40.1 | 0 | 0 | 0 | 114.5 | G164 R165 | D140-G164 WeakPolarHBondContact OD2-CA 3.31Å; D140-R165 PolarHBondContact N-O 3.3Å; D140-R165 WeakPolarHBondContact OD1-CB 3.32Å; D140-R165 PolarHBondContact OD1-N 3Å |
| 141 | G | 95.4 | Very high | 96.8 | Very high | 46 Ų | 46 | 65.6 Ų | 65.6 | 47% | 0.474 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | -10.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | H139 | H139-G141 PolarHBondContact O-N 2.83Š|
| 142 | Q | 97.2 | Very high | 96.9 | Very high | 151 Ų | 151 | 66.4 Ų | 66.4 | 71% | 0.706 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 136 | 176.7 | -59.9 | -174.6 | 44.8 | 0 | 0 | 110.9 | Y138 H139 V144 | Y138-Q142 CarbonylContact C-O 3.57Å; Y138-Q142 WeakPolarHBondContact CA-O 3.27Å; H139-Q142 PolarHBondContact N-O 3.4Å; H139-Q142 PolarHBondContact O-N 3.21Å; Q142-V144 PolarHBondContact O-N 3.41Å |
| 143 | A | 96.7 | Very high | 97 | Very high | 66 Ų | 66 | 68.1 Ų | 68.1 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 115.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y137 Y138 | Y137-A143 CarbonylContact O-C 3.56Å; Y137-A143 WeakPolarHBondContact O-CA 3.45Å; Y138-A143 HydrophobicContact CD1-CB 3.97Å; Y138-A143 HydrophobicContact CE1-CB 3.91Å |
| 144 | V | 97.1 | Very high | 97.2 | Very high | 59 Ų | 59 | 67.4 Ų | 67.4 | 36% | 0.358 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -23.3 | -177 | -69.3 | 0 | 0 | 0 | 0 | 113.8 | Y137 H139 Q142 Y153 | Y137-V144 WeakPolarHBondContact O-CG2 3.35Å; Y137-V144 PolarHBondContact O-N 3.37Å; H139-V144 HydrophobicContact CB-CG1 3.65Å; H139-V144 HydrophobicContact CB-CG2 4.22Å; Q142-V144 PolarHBondContact O-N 3.41Å; V144-Y153 HydrophobicContact CG2-CD1 4.41Å; V144-Y153 HydrophobicContact CG2-CE1 3.63Å |
| 145 | R | 97.7 | Very high | 97.2 | Very high | 134 Ų | 134 | 62.1 Ų | 62.1 | 51% | 0.506 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 146.3 | -180 | -158.9 | 68.1 | -175.6 | -164.5 | 0.4 | 112 | H136 Y137 F147 Y153 | H136-R145 WeakPolarHBondContact CA-O 3.48Å; Y137-R145 HydrophobicContact CD2-CB 4.44Å; Y137-R145 PolarHBondContact N-O 2.83Å; Y137-R145 PolarHBondContact O-N 2.85Å; R145-F147 HydrophobicContact CB-CE2 4.2Å; R145-F147 HydrophobicContact CG-CD2 4.11Å; R145-F147 HydrophobicContact CG-CE1 4.38Å; R145-F147 HydrophobicContact CG-CE2 3.36Å; R145-F147 HydrophobicContact CG-CZ 3.53Å; R145-Y153 HydrophobicContact CB-CD2 4.04Å; R145-Y153 HydrophobicContact CB-CE2 4.23Å; R145-Y153 HydrophobicContact CB-CG 4.24Å; R145-Y153 HydrophobicContact CG-CD2 3.97Å; R145-Y153 HydrophobicContact CG-CE2 4.38Å; R145-Y153 HydrophobicContact CG-CG 4.47Å |
| 146 | Y | 97.8 | Very high | 97.1 | Very high | 91 Ų | 91 | 68.8 Ų | 68.8 | 36% | 0.357 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 144.7 | 172.3 | 170.1 | -101.7 | 0 | 0 | 0 | 110.4 | K134 L135 H136 H148 | K134-Y146 HydrophobicContact CB-CE2 4.17Å; L135-Y146 CarbonylContact O-C 3.55Å; L135-Y146 WeakPolarHBondContact O-CA 3.09Å; H136-Y146 AromaticContact CD2-CD2 3.86Å; H136-Y146 AromaticContact CE1-CD2 3.39Å; H136-Y146 WeakPolarHBondContact CE1-CD2 3.32Å; H136-Y146 AromaticContact ND1-CD2 3.83Å; H136-Y146 AromaticContact NE2-CD2 3.39Å; H136-Y146 WeakPolarHBondContact NE2-CD2 3.39Å; H136-Y146 AromaticContact NE2-CE2 3.79Å; Y146-H148 AromaticContact CE1-CD2 3.97Å; Y146-H148 AromaticContact CE1-CE1 3.88Å; Y146-H148 AromaticContact CE1-NE2 3.81Å; Y146-H148 PolarHBondContact OH-ND1 2.87Å |
| 147 | F | 97.9 | Very high | 97 | Very high | 44 Ų | 44 | 70.5 Ų | 70.5 | 19% | 0.193 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 145.8 | 171.3 | -58.7 | -84.7 | 0 | 0 | 0 | 110 | K134 L135 Y137 R145 S149 A151 | K134-F147 CarbonylContact C-O 3.5Å; L135-F147 HydrophobicContact CB-CB 4.35Å; L135-F147 HydrophobicContact CD2-CD2 4.35Å; L135-F147 HydrophobicContact CG-CD2 4.44Å; L135-F147 PolarHBondContact N-O 3.43Å; L135-F147 PolarHBondContact O-N 2.8Å; Y137-F147 HydrophobicContact CD2-CD2 4.01Å; Y137-F147 AromaticContact CD2-CE2 3.81Å; Y137-F147 HydrophobicContact CD2-CE2 3.81Å; Y137-F147 AromaticContact CE2-CD2 3.82Å; Y137-F147 HydrophobicContact CE2-CD2 3.82Å; Y137-F147 AromaticContact CE2-CE2 3.65Å; Y137-F147 HydrophobicContact CE2-CE2 3.65Å; R145-F147 HydrophobicContact CB-CE2 4.2Å; R145-F147 HydrophobicContact CG-CD2 4.11Å; R145-F147 HydrophobicContact CG-CE1 4.38Å; R145-F147 HydrophobicContact CG-CE2 3.36Å; R145-F147 HydrophobicContact CG-CZ 3.53Å; F147-S149 VanDerWaalsContact C-N 3.28Å; F147-S149 WeakPolarHBondContact CB-O 3.31Å; F147-S149 PolarHBondContact O-N 3.11Å; F147-A151 HydrophobicContact CB-CB 4.14Å; F147-A151 HydrophobicContact CD1-CB 3.64Å; F147-A151 HydrophobicContact CD2-CB 4.12Å; F147-A151 HydrophobicContact CE1-CB 3.94Å; F147-A151 HydrophobicContact CE2-CB 4.38Å; F147-A151 HydrophobicContact CG-CB 3.73Å; F147-A151 HydrophobicContact CZ-CB 4.29Å |
| 148 | H | 96.4 | Very high | 96.9 | Very high | 145 Ų | 145 | 70.6 Ų | 70.6 | 67% | 0.671 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -68.7 | -27.4 | 178.3 | -71 | -86.9 | 0 | 0 | 0 | 113.3 | Y133 K134 Y146 | Y133-H148 WeakPolarHBondContact CA-O 3.25Å; K134-H148 PolarHBondContact N-O 3.01Å; Y146-H148 AromaticContact CE1-CD2 3.97Å; Y146-H148 AromaticContact CE1-CE1 3.88Å; Y146-H148 AromaticContact CE1-NE2 3.81Å; Y146-H148 PolarHBondContact OH-ND1 2.87Å |
| 149 | S | 95.4 | Very high | 96.7 | Very high | 59 Ų | 59 | 76.1 Ų | 76.1 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -143.2 | 176.4 | -178.3 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | V132 F147 A151 | V132-S149 CarbonylContact O-C 3.51Å; V132-S149 WeakPolarHBondContact O-CA 3.35Å; F147-S149 VanDerWaalsContact C-N 3.28Å; F147-S149 WeakPolarHBondContact CB-O 3.31Å; F147-S149 PolarHBondContact O-N 3.11Å; S149-A151 PolarHBondContact O-N 2.89Å; S149-A151 VanDerWaalsContact O-N 3.16Å |
| 150 | S | 96.2 | Very high | 96.5 | Very high | 53 Ų | 53 | 77 Ų | 77 | 37% | 0.371 | 41% | 0.412 | S | S | . | . | trans | -49.3 | 117.3 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | V132 | V132-S150 PolarHBondContact N-OG 2.86Å; V132-S150 PolarHBondContact O-N 2.82Å | ||
| 151 | A | 97.5 | Very high | 96.3 | Very high | 31 Ų | 31 | 76.6 Ų | 76.6 | 26% | 0.256 | 42% | 0.416 | S | S | . | . | trans | -149.2 | 148.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y137 F147 S149 | Y137-A151 WeakPolarHBondContact CE2-O 3Å; Y137-A151 PolarHBondContact OH-O 3.14Å; F147-A151 HydrophobicContact CB-CB 4.14Å; F147-A151 HydrophobicContact CD1-CB 3.64Å; F147-A151 HydrophobicContact CD2-CB 4.12Å; F147-A151 HydrophobicContact CE1-CB 3.94Å; F147-A151 HydrophobicContact CE2-CB 4.38Å; F147-A151 HydrophobicContact CG-CB 3.73Å; F147-A151 HydrophobicContact CZ-CB 4.29Å; S149-A151 PolarHBondContact O-N 2.89Å; S149-A151 VanDerWaalsContact O-N 3.16Å | ||
| 152 | N | 97.9 | Very high | 96.3 | Very high | 81 Ų | 81 | 75.9 Ų | 75.9 | 43% | 0.433 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 139.6 | 172.4 | -63.1 | -11.3 | 0 | 0 | 0 | 109.6 | V121 L122 R123 | V121-N152 HydrophobicContact CG1-CB 4.16Å; L122-N152 CarbonylContact O-C 3.59Å; L122-N152 WeakPolarHBondContact O-CA 3.32Å; R123-N152 WeakPolarHBondContact CB-OD1 3.5Å; R123-N152 WeakPolarHBondContact CG-OD1 3.37Å |
| 153 | Y | 97.6 | Very high | 96.3 | Very high | 35 Ų | 35 | 70.3 Ų | 70.3 | 14% | 0.137 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 115.5 | 168.3 | 172.4 | -141.6 | 0 | 0 | 0 | 109.2 | L122 Y137 V144 R145 V155 Y166 | L122-Y153 HydrophobicContact CD1-CD1 3.85Å; L122-Y153 HydrophobicContact CD1-CE1 4.23Å; L122-Y153 PolarHBondContact N-O 3.3Å; L122-Y153 PolarHBondContact O-N 2.87Å; Y137-Y153 HydrophobicContact CD1-CD1 4.15Å; Y137-Y153 HydrophobicContact CD2-CG 4.36Å; Y137-Y153 AromaticContact CG-CD1 3.98Å; Y137-Y153 HydrophobicContact CG-CD1 3.98Å; Y137-Y153 HydrophobicContact CG-CG 4.23Å; V144-Y153 HydrophobicContact CG2-CD1 4.41Å; V144-Y153 HydrophobicContact CG2-CE1 3.63Å; R145-Y153 HydrophobicContact CB-CD2 4.04Å; R145-Y153 HydrophobicContact CB-CE2 4.23Å; R145-Y153 HydrophobicContact CB-CG 4.24Å; R145-Y153 HydrophobicContact CG-CD2 3.97Å; R145-Y153 HydrophobicContact CG-CE2 4.38Å; R145-Y153 HydrophobicContact CG-CG 4.47Å; Y153-V155 HydrophobicContact CE1-CG2 4.34Å; Y153-V155 HydrophobicContact CE2-CG2 4.18Å; Y153-Y166 HydrophobicContact CE1-CE1 4.17Å |
| 154 | T | 97.5 | Very high | 96.2 | Very high | 57 Ų | 57 | 68 Ų | 68 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.3 | 178.8 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | P119 L120 V121 L156 | P119-T154 HydrophobicContact CB-CG2 4.32Å; L120-T154 CarbonylContact O-C 3.57Å; L120-T154 WeakPolarHBondContact O-CA 3.28Å; V121-T154 HydrophobicContact CG2-CG2 3.96Å; T154-L156 HydrophobicContact CG2-CD2 4.02Å |
| 155 | V | 96.7 | Very high | 96.3 | Very high | 22 Ų | 22 | 72.5 Ų | 72.5 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 110.8 | 161.8 | -176.7 | 0 | 0 | 0 | 0 | 106.9 | P119 L120 Y153 Q157 | P119-V155 CarbonylContact C-O 3.57Å; P119-V155 VanDerWaalsContact CA-O 3.3Å; P119-V155 WeakPolarHBondContact CA-O 3.35Å; L120-V155 HydrophobicContact CB-CB 4.27Å; L120-V155 PolarHBondContact N-O 3.07Å; L120-V155 PolarHBondContact O-N 2.74Å; Y153-V155 HydrophobicContact CE1-CG2 4.34Å; Y153-V155 HydrophobicContact CE2-CG2 4.18Å; V155-Q157 VanDerWaalsContact C-N 3.31Å; V155-Q157 PolarHBondContact O-N 3.18Å |
| 156 | L | 95 | Very high | 96.3 | Very high | 140 Ų | 140 | 66.2 Ų | 66.2 | 73% | 0.733 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -67.9 | -27.7 | -170.5 | -66.1 | 173.1 | 0 | 0 | 0 | 114.3 | T154 | T154-L156 HydrophobicContact CG2-CD2 4.02Š|
| 157 | Q | 95.4 | Very high | 96.3 | Very high | 96 Ų | 96 | 63.4 Ų | 63.4 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -139.2 | 92.8 | 177.9 | -69.4 | 178.9 | -6.9 | 0 | 0 | 107.4 | V155 | V155-Q157 VanDerWaalsContact C-N 3.31Å; V155-Q157 PolarHBondContact O-N 3.18Å |
| 158 | A | 96.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | trans | -62.6 | 147.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V114 E116 G117 E118 L120 V190 | V114-A158 HydrophobicContact CG1-CB 4.01Å; E116-A158 CarbonylContact C-O 3.56Å; E116-A158 WeakPolarHBondContact CA-O 3.47Å; G117-A158 PolarHBondContact N-O 3.3Å; E118-A158 WeakPolarHBondContact O-CB 3.3Å; E118-A158 PolarHBondContact O-N 3.39Å; L120-A158 HydrophobicContact CB-CB 4.28Å; A158-V190 HydrophobicContact CB-CG1 3.81Å; A158-V190 HydrophobicContact CB-CG2 4.02Å | ||
| 159 | R | 94.5 | Very high | 96.4 | Very high | 157 Ų | 157 | 54.5 Ų | 54.5 | 59% | 0.592 | 30% | 0.299 | S | S | * | . | trans | -128.9 | 160.5 | 177.1 | -60.9 | 178.2 | 179.3 | -173.9 | -1.5 | 109.4 | S161 D162 V190 | R159-S161 PolarHBondContact O-N 3.34Å; R159-D162 PolarHBondContact N-OD2 2.9Å; R159-D162 WeakPolarHBondContact O-CB 3.35Å; R159-D162 PolarHBondContact O-N 3.38Å; R159-V190 WeakPolarHBondContact O-CB 3.38Å | ||
| 160 | A | 92.4 | Very high | 96.3 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 46% | 0.463 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -51.3 | -33.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D162 S163 | A160-D162 VanDerWaalsContact C-N 3.27Å; A160-D162 PolarHBondContact O-N 3.05Å; A160-S163 VanDerWaalsContact O-CB 3.29Å; A160-S163 WeakPolarHBondContact O-CB 3.38Å; A160-S163 PolarHBondContact O-N 3.1Å; A160-S163 VanDerWaalsContact O-N 3.17Å; A160-S163 PolarHBondContact O-OG 3.39Å |
| 161 | S | 93.1 | Very high | 96.2 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 57% | 0.573 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -67.4 | -17 | 176.5 | 58.1 | 0 | 0 | 0 | 0 | 115.6 | R159 | R159-S161 PolarHBondContact O-N 3.34Š|
| 162 | D | 95.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 49.3 Ų | 49.3 | 17% | 0.166 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -87 | 1.9 | 175.8 | -50.3 | -41.9 | 0 | 0 | 0 | 111.2 | R159 A160 Y166 V190 | R159-D162 PolarHBondContact N-OD2 2.9Å; R159-D162 WeakPolarHBondContact O-CB 3.35Å; R159-D162 PolarHBondContact O-N 3.38Å; A160-D162 VanDerWaalsContact C-N 3.27Å; A160-D162 PolarHBondContact O-N 3.05Å; D162-Y166 VanDerWaalsContact O-CE2 3.3Å; D162-Y166 WeakPolarHBondContact O-CE2 3.35Å; D162-Y166 PolarHBondContact O-OH 2.98Å; D162-V190 HydrophobicContact CB-CG2 4.25Å |
| 163 | S | 96.6 | Very high | 95 | Very high | 35 Ų | 35 | 54.5 Ų | 54.5 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | trans | -68.9 | 145 | 164.8 | -52 | 0 | 0 | 0 | 0 | 109.8 | H139 A160 V188 V190 | H139-S163 PolarHBondContact NE2-O 3.3Å; A160-S163 VanDerWaalsContact O-CB 3.29Å; A160-S163 WeakPolarHBondContact O-CB 3.38Å; A160-S163 PolarHBondContact O-N 3.1Å; A160-S163 VanDerWaalsContact O-N 3.17Å; A160-S163 PolarHBondContact O-OG 3.39Å; S163-V188 CarbonylContact C-O 3.48Å; S163-V188 VanDerWaalsContact CA-O 3.31Å; S163-V188 WeakPolarHBondContact CA-O 3.09Å; S163-V190 PolarHBondContact OG-N 3.21Å | ||
| 164 | G | 96.5 | Very high | 93.9 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 19% | 0.186 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.4 | -168.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D140 A187 V188 | D140-G164 WeakPolarHBondContact OD2-CA 3.31Å; G164-A187 WeakPolarHBondContact O-CA 2.99Å; G164-V188 PolarHBondContact N-O 3.4Å; G164-V188 PolarHBondContact O-N 2.89Å |
| 165 | R | 97.8 | Very high | 92.4 | Very high | 152 Ų | 152 | 58.2 Ų | 58.2 | 57% | 0.574 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 111 | 177.1 | -63.7 | -179.8 | -175.7 | -101.2 | 2.9 | 110.2 | D140 V186 | D140-R165 PolarHBondContact N-O 3.3Å; D140-R165 WeakPolarHBondContact OD1-CB 3.32Å; D140-R165 PolarHBondContact OD1-N 3Å; R165-V186 CarbonylContact C-O 3.58Å; R165-V186 WeakPolarHBondContact CA-O 3.42Å |
| 166 | Y | 98.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 150.4 | 176.1 | -72.4 | -87.7 | 0 | 0 | 0 | 112.4 | L107 L120 L122 Y138 H139 Y153 D162 K185 V186 V188 | L107-Y166 VanDerWaalsContact CD2-CB 3.47Å; L120-Y166 HydrophobicContact CD2-CE2 4.32Å; L122-Y166 HydrophobicContact CD1-CD1 3.44Å; L122-Y166 VanDerWaalsContact CD1-CD1 3.44Å; L122-Y166 HydrophobicContact CD1-CD2 4.22Å; L122-Y166 HydrophobicContact CD1-CE1 3.63Å; L122-Y166 HydrophobicContact CD1-CE2 4.35Å; L122-Y166 HydrophobicContact CD1-CG 3.75Å; Y138-Y166 VanDerWaalsContact O-CA 3.25Å; Y138-Y166 WeakPolarHBondContact O-CA 3.44Å; Y138-Y166 VanDerWaalsContact O-CD1 3.31Å; Y138-Y166 WeakPolarHBondContact O-CD1 3.2Å; H139-Y166 HydrophobicContact CB-CD1 4.05Å; H139-Y166 HydrophobicContact CB-CE1 3.69Å; H139-Y166 AromaticContact CD2-CE1 3.82Å; H139-Y166 AromaticContact CD2-CE2 3.76Å; H139-Y166 AromaticContact CD2-CZ 3.51Å; H139-Y166 AromaticContact CG-CE1 3.98Å; Y153-Y166 HydrophobicContact CE1-CE1 4.17Å; D162-Y166 VanDerWaalsContact O-CE2 3.3Å; D162-Y166 WeakPolarHBondContact O-CE2 3.35Å; D162-Y166 PolarHBondContact O-OH 2.98Å; Y166-K185 CarbonylContact O-C 3.55Å; Y166-K185 VanDerWaalsContact O-CA 3.32Å; Y166-K185 WeakPolarHBondContact O-CA 3.32Å; Y166-V186 PolarHBondContact N-O 3.36Å; Y166-V186 PolarHBondContact O-N 2.85Å; Y166-V188 HydrophobicContact CD2-CB 3.8Å; Y166-V188 HydrophobicContact CD2-CG2 3.66Å; Y166-V188 HydrophobicContact CE2-CB 3.93Å; Y166-V188 HydrophobicContact CE2-CG1 4.42Å; Y166-V188 HydrophobicContact CE2-CG2 4.21Å |
| 167 | Q | 98.2 | Very high | 89.3 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 15% | 0.15 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 156.6 | 174.7 | -157.1 | 174.2 | 9.4 | 0 | 0 | 109 | Y138 S183 K185 | Y138-Q167 PolarHBondContact N-O 3.18Å; Y138-Q167 PolarHBondContact O-N 2.88Å; Q167-S183 VanDerWaalsContact CG-O 3.28Å; Q167-S183 WeakPolarHBondContact CG-O 3.37Å; Q167-S183 PolarHBondContact NE2-O 2.9Å; Q167-K185 HydrophobicContact CB-CG 4.13Å; Q167-K185 HydrophobicContact CG-CG 3.99Å |
| 168 | C | 97.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 156.5 | 162.7 | 64.3 | 0 | 0 | 0 | 0 | 112.1 | C124 L135 H136 Y137 F182 S183 | C124-C168 HydrophobicContact CB-CB 3.52Å; C124-C168 WeakPolarHBondContact CB-SG 3.46Å; C124-C168 WeakPolarHBondContact SG-CB 3.01Å; C124-C168 CovalentContact SG-SG 2.04Å; C124-C168 PolarHBondContact SG-SG 2.88Å; L135-C168 HydrophobicContact CD1-CB 4.01Å; H136-C168 CarbonylContact O-C 3.53Å; H136-C168 WeakPolarHBondContact O-CA 3.38Å; H136-C168 WeakPolarHBondContact O-CB 3.37Å; Y137-C168 HydrophobicContact CD1-CB 4.2Å; Y137-C168 HydrophobicContact CE1-CB 4.33Å; C168-F182 WeakPolarHBondContact O-CA 3.35Å; C168-S183 PolarHBondContact N-OG 2.83Å; C168-S183 PolarHBondContact O-N 3.38Å |
| 169 | S | 96.9 | Very high | 87.3 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 159.5 | 169.9 | 81.1 | 0 | 0 | 0 | 0 | 111.4 | L135 H136 Y138 M181 F182 | L135-S169 WeakPolarHBondContact CA-O 3.22Å; H136-S169 PolarHBondContact N-O 3.37Å; H136-S169 PolarHBondContact O-N 2.97Å; Y138-S169 VanDerWaalsContact CE2-OG 3.3Å; Y138-S169 WeakPolarHBondContact CE2-OG 3.3Å; Y138-S169 PolarHBondContact OH-OG 2.81Å; S169-M181 CarbonylContact C-O 3.54Å; S169-M181 WeakPolarHBondContact CA-O 3.49Å; S169-M181 VanDerWaalsContact CB-O 3.25Å; S169-M181 WeakPolarHBondContact CB-O 3.18Å; S169-F182 VanDerWaalsContact CB-CD1 3.49Å; S169-F182 VanDerWaalsContact CB-CE1 3.47Å |
| 170 | G | 95.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.7 | 173.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M181 | G170-M181 PolarHBondContact N-O 3.41Å; G170-M181 PolarHBondContact O-N 3.36Å |
| 171 | T | 92.9 | Very high | 86.9 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 17% | 0.172 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.6 | -178.7 | -52 | 0 | 0 | 0 | 0 | 109.7 | Y133 S178 | Y133-T171 WeakPolarHBondContact CB-O 3.45Å; Y133-T171 PolarHBondContact N-O 3.48Å; Y133-T171 PolarHBondContact O-N 2.86Å; T171-S178 VanDerWaalsContact CG2-O 3.27Å; T171-S178 WeakPolarHBondContact CG2-O 3.45Å |
| 172 | M | 89.1 | Confident | 87 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.02 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 156.9 | 166.9 | -58.8 | -170.5 | -61.7 | 0 | 0 | 109.4 | W104 L105 G126 W127 K130 V132 I174 M181 | W104-M172 HydrophobicContact CB-CE 3.85Å; W104-M172 HydrophobicContact CD2-CE 4.49Å; W104-M172 HydrophobicContact CE3-CE 3.88Å; W104-M172 VanDerWaalsContact O-CE 3.28Å; W104-M172 WeakPolarHBondContact O-CE 3.43Å; L105-M172 HydrophobicContact CD2-CE 4.27Å; L105-M172 HydrophobicContact CD2-CG 4.06Å; L105-M172 HydrophobicContact CD2-SD 3.84Å; G126-M172 WeakPolarHBondContact CA-SD 3.35Å; W127-M172 HydrophobicContact CB-CE 4.44Å; K130-M172 HydrophobicContact CB-SD 4Å; V132-M172 HydrophobicContact CG2-CG 4.18Å; V132-M172 HydrophobicContact CG2-SD 4.36Å; M172-I174 HydrophobicContact CB-CD1 4.26Å; M172-I174 HydrophobicContact CB-CG1 4.07Å; M172-I174 HydrophobicContact CE-CD1 3.93Å; M172-I174 HydrophobicContact CE-CG1 4.46Å; M172-I174 PolarHBondContact O-N 2.9Å; M172-M181 HydrophobicContact CB-CE 3.79Å; M172-M181 HydrophobicContact CE-CE 4.09Å; M172-M181 HydrophobicContact CE-SD 4.13Å; M172-M181 HydrophobicContact CG-CE 3.84Å |
| 173 | R | 81.8 | Confident | 87.1 | Confident | 190 Ų | 190 | 60.5 Ų | 60.5 | 72% | 0.717 | 33% | 0.325 | S | S | * | . | trans | -77.8 | 88.5 | 172.6 | -69.2 | 175.4 | -178.6 | 176.9 | -1.4 | 109.3 | Y133 | Y133-R173 HydrophobicContact CD2-CG 4.26Å; Y133-R173 HydrophobicContact CE2-CG 3.76Å; Y133-R173 VanDerWaalsContact OH-CZ 3.31Å; Y133-R173 PolarHBondContact OH-NH1 3.17Å | ||
| 174 | I | 73.5 | Confident | 87.1 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 18% | 0.179 | 34% | 0.335 | C | S | . | . | trans | -111.9 | 142.8 | 174.9 | -54 | 165.4 | 0 | 0 | 0 | 107.6 | W104 M172 V176 M181 | W104-I174 HydrophobicContact CD2-CD1 3.85Å; W104-I174 HydrophobicContact CE3-CD1 3.52Å; W104-I174 HydrophobicContact CE3-CG1 4.43Å; W104-I174 HydrophobicContact CH2-CD1 4.17Å; W104-I174 HydrophobicContact CH2-CG2 4.13Å; W104-I174 HydrophobicContact CZ2-CD1 4.46Å; W104-I174 HydrophobicContact CZ3-CD1 3.68Å; W104-I174 HydrophobicContact CZ3-CG1 4.23Å; W104-I174 HydrophobicContact CZ3-CG2 4.33Å; M172-I174 HydrophobicContact CB-CD1 4.26Å; M172-I174 HydrophobicContact CB-CG1 4.07Å; M172-I174 HydrophobicContact CE-CD1 3.93Å; M172-I174 HydrophobicContact CE-CG1 4.46Å; M172-I174 PolarHBondContact O-N 2.9Å; I174-V176 PolarHBondContact O-N 3.07Å; I174-M181 HydrophobicContact CD1-CE 3.88Å; I174-M181 HydrophobicContact CD1-SD 3.52Å; I174-M181 VanDerWaalsContact CD1-SD 3.52Å | ||
| 175 | P | 66.4 | Low | 87.1 | Confident | 136 Ų | 136 | 66.2 Ų | 66.2 | 88% | 0.883 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -65.3 | -16.7 | -177.9 | -24.2 | 35.1 | 0 | 0 | 0 | 115.9 | ||
| 176 | V | 65.4 | Low | 87 | Confident | 127 Ų | 127 | 60.2 Ų | 60.2 | 77% | 0.77 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -98.9 | -33.8 | -163.5 | -175.7 | 0 | 0 | 0 | 0 | 112.9 | I174 | I174-V176 PolarHBondContact O-N 3.07Š|
| 177 | E | 60.3 | Low | 86.9 | Confident | 148 Ų | 148 | 63.2 Ų | 63.2 | 69% | 0.692 | 36% | 0.356 | S | S | * | . | trans | -161 | 151.2 | 178.3 | -128.8 | 173 | 170.9 | 0 | 0 | 112.7 | ||||
| 178 | S | 70.2 | Confident | 86.8 | Confident | 101 Ų | 101 | 62.3 Ų | 62.3 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | trans | -104.9 | 12.1 | 180 | 63.9 | 0 | 0 | 0 | 0 | 114 | T171 | T171-S178 VanDerWaalsContact CG2-O 3.27Å; T171-S178 WeakPolarHBondContact CG2-O 3.45Å | ||
| 179 | A | 81.1 | Confident | 86.7 | Confident | 45 Ų | 45 | 66.5 Ų | 66.5 | 37% | 0.372 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 150 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M181 | A179-M181 PolarHBondContact O-N 3.48Š|
| 180 | P | 84.5 | Confident | 86.7 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 51% | 0.506 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 118.5 | 170 | 29.2 | -32.5 | 0 | 0 | 0 | 109.6 | ||
| 181 | M | 92.8 | Very high | 86.7 | Confident | 30 Ų | 30 | 70 Ų | 70 | 15% | 0.148 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 157.2 | 172.4 | -66.6 | 156.4 | -69.5 | 0 | 0 | 109.6 | W104 L105 S169 G170 M172 I174 A179 | W104-M181 HydrophobicContact CB-CB 4.27Å; W104-M181 HydrophobicContact CB-CG 4.09Å; W104-M181 HydrophobicContact CB-SD 3.31Å; W104-M181 WeakPolarHBondContact CB-SD 3.3Å; W104-M181 HydrophobicContact CD2-SD 4.08Å; W104-M181 HydrophobicContact CG-CG 4.3Å; W104-M181 HydrophobicContact CG-SD 3.47Å; L105-M181 HydrophobicContact CD1-CB 4.05Å; L105-M181 VanDerWaalsContact CD1-O 3.32Å; L105-M181 WeakPolarHBondContact CD1-O 2.98Å; L105-M181 HydrophobicContact CG-CB 4.03Å; S169-M181 CarbonylContact C-O 3.54Å; S169-M181 WeakPolarHBondContact CA-O 3.49Å; S169-M181 VanDerWaalsContact CB-O 3.25Å; S169-M181 WeakPolarHBondContact CB-O 3.18Å; G170-M181 PolarHBondContact N-O 3.41Å; G170-M181 PolarHBondContact O-N 3.36Å; M172-M181 HydrophobicContact CB-CE 3.79Å; M172-M181 HydrophobicContact CE-CE 4.09Å; M172-M181 HydrophobicContact CE-SD 4.13Å; M172-M181 HydrophobicContact CG-CE 3.84Å; I174-M181 HydrophobicContact CD1-CE 3.88Å; I174-M181 HydrophobicContact CD1-SD 3.52Å; I174-M181 VanDerWaalsContact CD1-SD 3.52Å; A179-M181 PolarHBondContact O-N 3.48Å |
| 182 | F | 95.5 | Very high | 86.8 | Confident | 101 Ų | 101 | 72.4 Ų | 72.4 | 44% | 0.443 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.8 | 178.7 | -71.4 | -101.8 | 0 | 0 | 0 | 109.9 | Y138 C168 S169 | Y138-F182 HydrophobicContact CE2-CE1 4.27Å; C168-F182 WeakPolarHBondContact O-CA 3.35Å; S169-F182 VanDerWaalsContact CB-CD1 3.49Å; S169-F182 VanDerWaalsContact CB-CE1 3.47Å |
| 183 | S | 97.4 | Very high | 87.1 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 3% | 0.028 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 164.1 | 167 | 73.9 | 0 | 0 | 0 | 0 | 111.3 | L105 Q167 C168 | L105-S183 WeakPolarHBondContact O-CA 3.29Å; L105-S183 WeakPolarHBondContact O-CB 3.46Å; Q167-S183 VanDerWaalsContact CG-O 3.28Å; Q167-S183 WeakPolarHBondContact CG-O 3.37Å; Q167-S183 PolarHBondContact NE2-O 2.9Å; C168-S183 PolarHBondContact N-OG 2.83Å; C168-S183 PolarHBondContact O-N 3.38Å |
| 184 | A | 96.8 | Very high | 87.8 | Confident | 55 Ų | 55 | 63.7 Ų | 63.7 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 153.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 185 | K | 96.9 | Very high | 88.8 | Confident | 119 Ų | 119 | 69.6 Ų | 69.6 | 52% | 0.517 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 128.6 | 174 | -67.1 | -173 | 177.3 | -179.2 | 0 | 110.2 | Y166 Q167 | Y166-K185 CarbonylContact O-C 3.55Å; Y166-K185 VanDerWaalsContact O-CA 3.32Å; Y166-K185 WeakPolarHBondContact O-CA 3.32Å; Q167-K185 HydrophobicContact CB-CG 4.13Å; Q167-K185 HydrophobicContact CG-CG 3.99Å |
| 186 | V | 96.8 | Very high | 90.2 | Very high | 25 Ų | 25 | 65.8 Ų | 65.8 | 15% | 0.152 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.2 | -179.9 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | L107 V109 R165 Y166 | L107-V186 HydrophobicContact CB-CG2 4.13Å; L107-V186 HydrophobicContact CD2-CB 4.27Å; L107-V186 HydrophobicContact CD2-CG2 4.31Å; L107-V186 HydrophobicContact CG-CG2 4.48Å; V109-V186 HydrophobicContact CB-CG1 4.45Å; V109-V186 HydrophobicContact CG1-CB 4.17Å; V109-V186 HydrophobicContact CG1-CG1 3.81Å; V109-V186 HydrophobicContact CG2-CG1 3.7Å; R165-V186 CarbonylContact C-O 3.58Å; R165-V186 WeakPolarHBondContact CA-O 3.42Å; Y166-V186 PolarHBondContact N-O 3.36Å; Y166-V186 PolarHBondContact O-N 2.85Å |
| 187 | A | 95.6 | Very high | 91.7 | Very high | 66 Ų | 66 | 59.8 Ų | 59.8 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 132.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G164 | G164-A187 WeakPolarHBondContact O-CA 2.99Å |
| 188 | V | 95.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.8 | 174.7 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | V109 L120 L122 S163 G164 Y166 | V109-V188 HydrophobicContact CB-CG2 4.2Å; V109-V188 HydrophobicContact CG1-CG2 3.92Å; V109-V188 HydrophobicContact CG2-CG2 4.5Å; L120-V188 HydrophobicContact CD1-CG1 3.83Å; L120-V188 HydrophobicContact CD2-CG1 3.91Å; L122-V188 HydrophobicContact CD2-CG2 4.24Å; S163-V188 CarbonylContact C-O 3.48Å; S163-V188 VanDerWaalsContact CA-O 3.31Å; S163-V188 WeakPolarHBondContact CA-O 3.09Å; G164-V188 PolarHBondContact N-O 3.4Å; G164-V188 PolarHBondContact O-N 2.89Å; Y166-V188 HydrophobicContact CD2-CB 3.8Å; Y166-V188 HydrophobicContact CD2-CG2 3.66Å; Y166-V188 HydrophobicContact CE2-CB 3.93Å; Y166-V188 HydrophobicContact CE2-CG1 4.42Å; Y166-V188 HydrophobicContact CE2-CG2 4.21Å |
| 189 | T | 95.1 | Very high | 94.6 | Very high | 88 Ų | 88 | 51.8 Ų | 51.8 | 54% | 0.54 | 29% | 0.292 | S | S | . | . | trans | -124.5 | 122.3 | 178.4 | -53.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 190 | V | 96.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.2 | 171.8 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | V114 E116 A158 R159 D162 S163 | V114-V190 CarbonylContact O-C 3.17Å; V114-V190 WeakPolarHBondContact O-CA 3.39Å; E116-V190 HydrophobicContact CG-CG1 4.19Å; A158-V190 HydrophobicContact CB-CG1 3.81Å; A158-V190 HydrophobicContact CB-CG2 4.02Å; R159-V190 WeakPolarHBondContact O-CB 3.38Å; D162-V190 HydrophobicContact CB-CG2 4.25Å; S163-V190 PolarHBondContact OG-N 3.21Å |
| 191 | Q | 95.8 | Very high | 95.4 | Very high | 69 Ų | 69 | 55 Ų | 55 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 138.1 | -177.6 | -62.5 | -65.2 | -1.3 | 0 | 0 | 111.4 | P113 V114 F115 E116 L193 | P113-Q191 HydrophobicContact CB-CG 4.03Å; V114-Q191 PolarHBondContact O-N 2.69Å; F115-Q191 WeakPolarHBondContact CA-O 3.28Å; F115-Q191 HydrophobicContact CD1-CB 3.54Å; F115-Q191 HydrophobicContact CE1-CB 3.52Å; F115-Q191 HydrophobicContact CE1-CG 4.27Å; F115-Q191 HydrophobicContact CG-CB 4.13Å; F115-Q191 HydrophobicContact CZ-CB 4.13Å; F115-Q191 HydrophobicContact CZ-CG 4.42Å; E116-Q191 PolarHBondContact N-O 2.68Å; Q191-L193 PolarHBondContact O-N 2.66Å |
| 192 | E | 95.3 | Very high | 95 | Very high | 79 Ų | 79 | 57 Ų | 57 | 37% | 0.369 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 128.3 | 175.3 | -167 | 177.8 | -146.8 | 0 | 0 | 110.4 | E116 R195 H224 K278 | E116-E192 WeakPolarHBondContact OE2-CG 3.41Å; E192-R195 WeakPolarHBondContact OE1-CA 3.49Å; E192-H224 WeakPolarHBondContact O-CB 3.34Å; E192-H224 PolarHBondContact O-CD2 2.84Å; E192-H224 VanDerWaalsContact O-CD2 3.23Å; E192-K278 IonicContact OE1-NZ 2.73Å; E192-K278 PolarHBondContact OE1-NZ 2.86Å |
| 193 | L | 95.8 | Very high | 93.6 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -78.7 | -46.5 | -179 | -178.7 | 64.3 | 0 | 0 | 0 | 111.9 | F115 E116 Q191 L223 H224 K227 T230 T271 V276 | F115-L193 HydrophobicContact CB-CD1 4.37Å; F115-L193 HydrophobicContact CD1-CD1 4.47Å; E116-L193 HydrophobicContact CB-CB 4.11Å; E116-L193 PolarHBondContact OE2-N 2.91Å; Q191-L193 PolarHBondContact O-N 2.66Å; L193-L223 HydrophobicContact CG-CD2 4.37Å; L193-H224 PolarHBondContact O-N 2.75Å; L193-K227 HydrophobicContact CD1-CB 3.77Å; L193-K227 HydrophobicContact CD1-CD 4.34Å; L193-K227 HydrophobicContact CD1-CG 3.84Å; L193-T230 HydrophobicContact CD2-CG2 4.44Å; L193-T271 HydrophobicContact CD2-CG2 3.48Å; L193-T271 VanDerWaalsContact CD2-CG2 3.48Å; L193-V276 HydrophobicContact CD2-CB 4.25Å; L193-V276 HydrophobicContact CD2-CG2 3.82Å |
| 194 | F | 95.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -148.5 | 147.4 | 172.2 | 58.4 | -87.4 | 0 | 0 | 0 | 110 | T221 H222 L223 L232 A269 T271 V276 K278 | F194-T221 HydrophobicContact CD2-CG2 4.44Å; F194-H222 VanDerWaalsContact CA-O 3.26Å; F194-H222 WeakPolarHBondContact CA-O 3.47Å; F194-L223 HydrophobicContact CB-CD2 4.02Å; F194-L223 HydrophobicContact CB-CG 4.32Å; F194-L223 HydrophobicContact CD1-CD2 4.46Å; F194-L232 HydrophobicContact CB-CD1 4.32Å; F194-L232 HydrophobicContact CD1-CD1 4.23Å; F194-L232 HydrophobicContact CD1-CD2 3.76Å; F194-L232 HydrophobicContact CD2-CD1 4.43Å; F194-L232 HydrophobicContact CE1-CD2 3.72Å; F194-L232 HydrophobicContact CG-CD1 4.1Å; F194-L232 HydrophobicContact CG-CD2 4.44Å; F194-L232 HydrophobicContact CZ-CD2 4.36Å; F194-A269 HydrophobicContact CE2-CB 3.84Å; F194-A269 HydrophobicContact CZ-CB 4.46Å; F194-A269 WeakPolarHBondContact CZ-O 3.45Å; F194-T271 HydrophobicContact CE1-CG2 4.42Å; F194-V276 HydrophobicContact CD1-CG1 4.38Å; F194-V276 HydrophobicContact CE1-CB 3.91Å; F194-V276 HydrophobicContact CE1-CG1 3.58Å; F194-V276 HydrophobicContact CZ-CB 4.4Å; F194-V276 HydrophobicContact CZ-CG1 3.87Å; F194-K278 HydrophobicContact CD2-CD 4.29Å; F194-K278 HydrophobicContact CE2-CB 3.91Å; F194-K278 HydrophobicContact CE2-CD 4.03Å; F194-K278 HydrophobicContact CE2-CG 3.99Å; F194-K278 HydrophobicContact CZ-CB 4.48Å; F194-K278 HydrophobicContact CZ-CG 4.28Å; F194-K278 WeakPolarHBondContact O-CD 3.5Å; F194-K278 PolarHBondContact O-NZ 3.39Å |
| 195 | R | 95 | Very high | 89.8 | Confident | 158 Ų | 158 | 61.2 Ų | 61.2 | 60% | 0.596 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 150.3 | 177.9 | -68.3 | -177.8 | -179.3 | 169.9 | 1.6 | 111.5 | E192 T221 H222 | E192-R195 WeakPolarHBondContact OE1-CA 3.49Å; R195-T221 PolarHBondContact O-OG1 3.07Å; R195-H222 PolarHBondContact N-O 3.04Å |
| 196 | A | 95.8 | Very high | 87.5 | Confident | 56 Ų | 56 | 65.5 Ų | 65.5 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 128.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 197 | P | 97.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.006 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 154.6 | -172.2 | 27.6 | -34.5 | 0 | 0 | 0 | 111.6 | D220 A269 S280 | P197-D220 CarbonylContact C-O 3.53Å; P197-D220 VanDerWaalsContact CA-O 3.23Å; P197-D220 WeakPolarHBondContact CA-O 3.48Å; P197-A269 HydrophobicContact CB-CB 4.14Å; P197-A269 HydrophobicContact CG-CB 3.94Å; P197-S280 WeakPolarHBondContact O-CA 3.33Å; P197-S280 WeakPolarHBondContact O-CB 3.28Å |
| 198 | V | 96.8 | Very high | 82.6 | Confident | 71 Ų | 71 | 76.3 Ų | 76.3 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 124.7 | 174.4 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | R200 D220 | V198-R200 HydrophobicContact CG1-CG 4.32Å; V198-D220 PolarHBondContact N-O 3.11Å; V198-D220 PolarHBondContact O-N 3.22Å |
| 199 | L | 94.6 | Very high | 80.4 | Confident | 11 Ų | 11 | 79.3 Ų | 79.3 | 6% | 0.058 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 127.2 | 175 | -176 | 59.2 | 0 | 0 | 0 | 109.3 | L217 F236 C267 L283 | L199-L217 HydrophobicContact CD1-CB 3.94Å; L199-L217 HydrophobicContact CD1-CD1 4.37Å; L199-L217 HydrophobicContact CD1-CD2 4.26Å; L199-L217 HydrophobicContact CD1-CG 4.44Å; L199-L217 HydrophobicContact CD2-CD1 4.3Å; L199-L217 HydrophobicContact CG-CD2 4.34Å; L199-F236 HydrophobicContact CD1-CD1 4.16Å; L199-F236 HydrophobicContact CD1-CE1 3.52Å; L199-C267 HydrophobicContact CD1-CB 4.27Å; L199-L283 HydrophobicContact CB-CB 4.38Å; L199-L283 HydrophobicContact CB-CD2 4.44Å; L199-L283 HydrophobicContact CD2-CB 3.81Å; L199-L283 HydrophobicContact CD2-CD2 4.08Å; L199-L283 HydrophobicContact CG-CB 4.15Å; L199-L283 HydrophobicContact CG-CD2 3.77Å |
| 200 | R | 92.4 | Very high | 78 | Confident | 130 Ų | 130 | 78.6 Ų | 78.6 | 49% | 0.491 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.3 | 179.7 | -65 | -170.6 | 175.7 | 153.5 | -12.5 | 111.3 | V198 L217 R218 D220 | V198-R200 HydrophobicContact CG1-CG 4.32Å; R200-L217 WeakPolarHBondContact O-CA 3.21Å; R200-R218 PolarHBondContact N-O 3.03Å; R200-R218 PolarHBondContact O-N 2.85Å; R200-D220 WeakPolarHBondContact CD-OD2 3.35Å; R200-D220 IonicContact CZ-OD2 2.68Å; R200-D220 IonicContact NE-OD2 3.97Å; R200-D220 IonicContact NH1-OD2 2.6Å; R200-D220 PolarHBondContact NH1-OD2 3.16Å |
| 201 | V | 88.5 | Confident | 75.4 | Confident | 59 Ų | 59 | 82.6 Ų | 82.6 | 36% | 0.358 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 128.5 | 163.8 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | V215 L217 L283 L285 | V201-V215 HydrophobicContact CG1-CG1 3.62Å; V201-V215 HydrophobicContact CG2-CG1 4.43Å; V201-L217 HydrophobicContact CG2-CD2 4.09Å; V201-L283 HydrophobicContact CG2-CD2 3.95Å; V201-L285 HydrophobicContact CG2-CD2 4.01Å |
| 202 | M | 85.4 | Confident | 73.3 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 36% | 0.36 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 142.7 | 166.9 | -59.1 | -60.4 | -72.2 | 0 | 0 | 108.7 | V216 R218 | M202-V216 HydrophobicContact CB-CB 4.16Å; M202-V216 HydrophobicContact CB-CG1 4.21Å; M202-V216 HydrophobicContact CG-CG1 4.33Å; M202-V216 PolarHBondContact N-O 2.6Å; M202-R218 HydrophobicContact CG-CB 3.62Å; M202-R218 HydrophobicContact SD-CB 3.85Å; M202-R218 VanDerWaalsContact SD-CD 3.56Å; M202-R218 HydrophobicContact SD-CG 4.36Å |
| 203 | G | 66.3 | Low | 71.5 | Confident | 54 Ų | 54 | 85.6 Ų | 85.6 | 56% | 0.557 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 159.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 204 | P | 60.4 | Low | 70.3 | Confident | 99 Ų | 99 | 86.1 Ų | 86.1 | 64% | 0.643 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 142.9 | 173.7 | 26.4 | -34.3 | 0 | 0 | 0 | 109.8 | E206 | P204-E206 PolarHBondContact O-N 2.91Å; P204-E206 VanDerWaalsContact O-N 3.17Å |
| 205 | P | 54.2 | Low | 69.6 | Low | 95 Ų | 95 | 88.6 Ų | 88.6 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 121.1 | -179.5 | 25.2 | -33.3 | 0 | 0 | 0 | 110.1 | G207 | P205-G207 PolarHBondContact O-N 2.97Š|
| 206 | E | 48.1 | Very low | 69.3 | Low | 210 Ų | 210 | 82.6 Ų | 82.6 | 98% | 0.981 | 51% | 0.514 | S | S | * | . | trans | -70.5 | 76.8 | 175.2 | -69.4 | -170.9 | 141.4 | 0 | 0 | 110.7 | P204 | P204-E206 PolarHBondContact O-N 2.91Å; P204-E206 VanDerWaalsContact O-N 3.17Å | ||
| 207 | G | 47.7 | Very low | 69.1 | Low | 49 Ų | 49 | 79.9 Ų | 79.9 | 51% | 0.505 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -147.5 | 127.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P205 G209 A210 | P205-G207 PolarHBondContact O-N 2.97Å; G207-G209 PolarHBondContact O-N 2.81Å; G207-A210 PolarHBondContact O-N 2.96Å |
| 208 | R | 42.7 | Very low | 69 | Low | 268 Ų | 268 | 84 Ų | 84 | 100% | 1.011 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 101.1 | 173.7 | -72.6 | -175.4 | 177.6 | -165 | -0.8 | 109.1 | ||
| 209 | G | 47.9 | Very low | 68.9 | Low | 76 Ų | 76 | 80.8 Ų | 80.8 | 78% | 0.784 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 140.4 | 13.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G207 A211 | G207-G209 PolarHBondContact O-N 2.81Å; G209-A211 PolarHBondContact O-N 2.04Å |
| 210 | A | 45.4 | Very low | 69 | Low | 73 Ų | 73 | 81.6 Ų | 81.6 | 60% | 0.603 | 49% | 0.492 | S | S | * | . | trans | -64.2 | 104.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G207 | G207-A210 PolarHBondContact O-N 2.96Š| ||
| 211 | A | 43 | Very low | 69.1 | Low | 91 Ų | 91 | 76.7 Ų | 76.7 | 75% | 0.752 | 48% | 0.476 | S | S | * | . | trans | -76.5 | 122.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G209 | G209-A211 PolarHBondContact O-N 2.04Š| ||
| 212 | L | 52 | Low | 69.4 | Low | 147 Ų | 147 | 79.5 Ų | 79.5 | 77% | 0.77 | 49% | 0.485 | S | S | * | . | S | Bend | trans | 53.2 | 85.2 | 160.9 | -61.8 | 168.6 | 0 | 0 | 0 | 117.1 | G214 | L212-G214 PolarHBondContact O-N 2.89Š|
| 213 | G | 57.4 | Low | 69.9 | Low | 64 Ų | 64 | 78.2 Ų | 78.2 | 66% | 0.66 | 48% | 0.48 | S | S | * | . | 57 | -9.5 | 126.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | E256 | G213-E256 WeakPolarHBondContact CA-OE1 3.24Š| |||
| 214 | G | 70.1 | Confident | 71.2 | Confident | 22 Ų | 22 | 77.9 Ų | 77.9 | 23% | 0.227 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 140.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L212 V254 | L212-G214 PolarHBondContact O-N 2.89Å; G214-V254 WeakPolarHBondContact CA-O 3.36Å |
| 215 | V | 81.1 | Confident | 72.7 | Confident | 54 Ų | 54 | 76.9 Ų | 76.9 | 33% | 0.327 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 119.5 | 173.2 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | V201 V254 L285 | V201-V215 HydrophobicContact CG1-CG1 3.62Å; V201-V215 HydrophobicContact CG2-CG1 4.43Å; V215-V254 HydrophobicContact CB-CB 4.35Å; V215-V254 PolarHBondContact N-O 2.64Å; V215-V254 WeakPolarHBondContact O-CB 3.5Å; V215-V254 PolarHBondContact O-N 3.16Å; V215-L285 HydrophobicContact CG1-CD2 4.07Å |
| 216 | V | 87.9 | Confident | 74.4 | Confident | 31 Ų | 31 | 78.2 Ų | 78.2 | 19% | 0.188 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 121.1 | 176.9 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | M202 T253 | M202-V216 HydrophobicContact CB-CB 4.16Å; M202-V216 HydrophobicContact CB-CG1 4.21Å; M202-V216 HydrophobicContact CG-CG1 4.33Å; M202-V216 PolarHBondContact N-O 2.6Å; V216-T253 HydrophobicContact CG2-CG2 4.31Å |
| 217 | L | 90.9 | Very high | 76.4 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 133.2 | 174.4 | -73.2 | -178.5 | 0 | 0 | 0 | 110.9 | L199 R200 V201 F236 E251 Y252 V254 Y265 L283 L285 | L199-L217 HydrophobicContact CD1-CB 3.94Å; L199-L217 HydrophobicContact CD1-CD1 4.37Å; L199-L217 HydrophobicContact CD1-CD2 4.26Å; L199-L217 HydrophobicContact CD1-CG 4.44Å; L199-L217 HydrophobicContact CD2-CD1 4.3Å; L199-L217 HydrophobicContact CG-CD2 4.34Å; R200-L217 WeakPolarHBondContact O-CA 3.21Å; V201-L217 HydrophobicContact CG2-CD2 4.09Å; L217-F236 HydrophobicContact CB-CE1 4.01Å; L217-E251 CarbonylContact O-C 3.59Å; L217-E251 VanDerWaalsContact O-CA 3.26Å; L217-E251 WeakPolarHBondContact O-CA 3.45Å; L217-Y252 HydrophobicContact CD1-CD1 4.47Å; L217-Y252 PolarHBondContact N-O 3.39Å; L217-Y252 PolarHBondContact O-N 2.83Å; L217-V254 HydrophobicContact CD1-CG2 3.43Å; L217-V254 VanDerWaalsContact CD1-CG2 3.43Å; L217-V254 HydrophobicContact CG-CG2 3.69Å; L217-Y265 HydrophobicContact CD1-CD1 3.86Å; L217-Y265 HydrophobicContact CD1-CD2 4.43Å; L217-Y265 HydrophobicContact CD1-CG 3.8Å; L217-L283 HydrophobicContact CD2-CD2 3.71Å; L217-L285 HydrophobicContact CD2-CD2 4.07Å |
| 218 | R | 95.1 | Very high | 78.4 | Confident | 88 Ų | 88 | 77 Ų | 77 | 33% | 0.332 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131.3 | 177.8 | -177 | 173.9 | 170.5 | 126.1 | -8.9 | 111.2 | R200 M202 D220 E251 | R200-R218 PolarHBondContact N-O 3.03Å; R200-R218 PolarHBondContact O-N 2.85Å; M202-R218 HydrophobicContact CG-CB 3.62Å; M202-R218 HydrophobicContact SD-CB 3.85Å; M202-R218 VanDerWaalsContact SD-CD 3.56Å; M202-R218 HydrophobicContact SD-CG 4.36Å; R218-D220 IonicContact CZ-OD1 3.9Å; R218-D220 IonicContact NE-OD1 3.22Å; R218-D220 PolarHBondContact NE-OD1 2.97Å; R218-D220 IonicContact NH2-OD1 2.66Å; R218-E251 HydrophobicContact CB-CG 4Å; R218-E251 WeakPolarHBondContact CD-OE1 3.35Å; R218-E251 HydrophobicContact CG-CG 3.87Å; R218-E251 IonicContact CZ-OE1 2.69Å; R218-E251 IonicContact NE-OE1 3.26Å; R218-E251 IonicContact NH1-OE1 3.7Å; R218-E251 PolarHBondContact NH1-OE1 2.79Å |
| 219 | C | 96.4 | Very high | 80.7 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.014 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 88.6 | 178 | -167.2 | 0 | 0 | 0 | 0 | 109.8 | F234 F236 A250 C267 | C219-F234 HydrophobicContact CB-CD1 3.84Å; C219-F234 HydrophobicContact CB-CE1 4.38Å; C219-F236 HydrophobicContact CB-CE1 4.27Å; C219-F236 HydrophobicContact CB-CE2 4.47Å; C219-F236 HydrophobicContact CB-CZ 3.81Å; C219-A250 PolarHBondContact N-O 2.88Å; C219-C267 HydrophobicContact CB-CB 3.62Å; C219-C267 WeakPolarHBondContact CB-SG 3.37Å; C219-C267 WeakPolarHBondContact SG-CB 3.39Å; C219-C267 CovalentContact SG-SG 2.03Å; C219-C267 PolarHBondContact SG-SG 2.04Å |
| 220 | D | 95.7 | Very high | 82.8 | Confident | 28 Ų | 28 | 69.9 Ų | 69.9 | 15% | 0.15 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 132.3 | -177.5 | -84.2 | -29 | 0 | 0 | 0 | 111.8 | P197 V198 R200 R218 | P197-D220 CarbonylContact C-O 3.53Å; P197-D220 VanDerWaalsContact CA-O 3.23Å; P197-D220 WeakPolarHBondContact CA-O 3.48Å; V198-D220 PolarHBondContact N-O 3.11Å; V198-D220 PolarHBondContact O-N 3.22Å; R200-D220 WeakPolarHBondContact CD-OD2 3.35Å; R200-D220 IonicContact CZ-OD2 2.68Å; R200-D220 IonicContact NE-OD2 3.97Å; R200-D220 IonicContact NH1-OD2 2.6Å; R200-D220 PolarHBondContact NH1-OD2 3.16Å; R218-D220 IonicContact CZ-OD1 3.9Å; R218-D220 IonicContact NE-OD1 3.22Å; R218-D220 PolarHBondContact NE-OD1 2.97Å; R218-D220 IonicContact NH2-OD1 2.66Å |
| 221 | T | 95.6 | Very high | 85.1 | Confident | 27 Ų | 27 | 70 Ų | 70 | 17% | 0.166 | 39% | 0.387 | C | S | . | . | trans | -147.4 | 162.5 | 168.5 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | F194 R195 L232 F234 A269 | F194-T221 HydrophobicContact CD2-CG2 4.44Å; R195-T221 PolarHBondContact O-OG1 3.07Å; T221-L232 HydrophobicContact CG2-CD1 3.77Å; T221-F234 HydrophobicContact CG2-CE1 3.94Å; T221-F234 HydrophobicContact CG2-CZ 4.23Å; T221-A269 HydrophobicContact CG2-CB 4.49Å | ||
| 222 | H | 94.3 | Very high | 87.7 | Confident | 118 Ų | 118 | 66.5 Ų | 66.5 | 55% | 0.546 | 36% | 0.356 | S | S | . | . | trans | -126.3 | 120.7 | 178 | -60.6 | -71.6 | 0 | 0 | 0 | 109.8 | F194 R195 | F194-H222 VanDerWaalsContact CA-O 3.26Å; F194-H222 WeakPolarHBondContact CA-O 3.47Å; R195-H222 PolarHBondContact N-O 3.04Å | ||
| 223 | L | 95 | Very high | 89.8 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -69.5 | 152 | 170.3 | -79.8 | 158.8 | 0 | 0 | 0 | 111.3 | L193 F194 R228 T230 L232 | L193-L223 HydrophobicContact CG-CD2 4.37Å; F194-L223 HydrophobicContact CB-CD2 4.02Å; F194-L223 HydrophobicContact CB-CG 4.32Å; F194-L223 HydrophobicContact CD1-CD2 4.46Å; L223-R228 WeakPolarHBondContact CD1-O 3.49Å; L223-T230 WeakPolarHBondContact CD1-O 3.33Å; L223-L232 HydrophobicContact CD1-CD1 4.21Å; L223-L232 HydrophobicContact CD1-CG 4.35Å; L223-L232 HydrophobicContact CD2-CD1 4.1Å; L223-L232 HydrophobicContact CD2-CD2 4.37Å; L223-L232 HydrophobicContact CD2-CG 4.3Å; L223-L232 HydrophobicContact CG-CD1 3.98Å; L223-L232 HydrophobicContact CG-CG 4.48Å |
| 224 | H | 94.3 | Very high | 91.7 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 22% | 0.218 | 30% | 0.298 | C | S | . | . | trans | -61 | 140.4 | 172.3 | -158.3 | -84.9 | 0 | 0 | 0 | 110.8 | F115 E192 L193 Q226 K227 R228 | F115-H224 HydrophobicContact CE1-CB 3.96Å; F115-H224 AromaticContact CE1-CD2 3.99Å; F115-H224 AromaticContact CE1-CE1 3.92Å; F115-H224 AromaticContact CE1-CG 3.58Å; F115-H224 AromaticContact CE1-ND1 3.52Å; F115-H224 AromaticContact CZ-ND1 3.92Å; E192-H224 WeakPolarHBondContact O-CB 3.34Å; E192-H224 PolarHBondContact O-CD2 2.84Å; E192-H224 VanDerWaalsContact O-CD2 3.23Å; L193-H224 PolarHBondContact O-N 2.75Å; H224-Q226 VanDerWaalsContact C-N 3.25Å; H224-Q226 PolarHBondContact CE1-OE1 3.02Å; H224-Q226 PolarHBondContact ND1-OE1 2.94Å; H224-Q226 PolarHBondContact O-N 2.83Å; H224-Q226 VanDerWaalsContact O-N 3.11Å; H224-K227 HydrophobicContact CB-CB 4.44Å; H224-K227 CarbonylContact O-C 3.58Å; H224-K227 PolarHBondContact O-N 2.82Å; H224-R228 PolarHBondContact O-N 2.82Å | ||
| 225 | P | 91.6 | Very high | 93 | Very high | 79 Ų | 79 | 57.5 Ų | 57.5 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -55.9 | -34.4 | -173.9 | -29 | 36 | 0 | 0 | 0 | 115.3 | K227 R228 | P225-K227 VanDerWaalsContact C-N 3.27Å; P225-K227 PolarHBondContact O-N 2.83Å; P225-R228 WeakPolarHBondContact O-CD 3.3Å; P225-R228 WeakPolarHBondContact O-CG 3.46Å |
| 226 | Q | 89.5 | Confident | 93.7 | Very high | 123 Ų | 123 | 55 Ų | 55 | 58% | 0.575 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -76.8 | -2.8 | 176.4 | -68.4 | 86.1 | -29.6 | 0 | 0 | 114.5 | F115 H224 | F115-Q226 HydrophobicContact CZ-CB 4.18Å; H224-Q226 VanDerWaalsContact C-N 3.25Å; H224-Q226 PolarHBondContact CE1-OE1 3.02Å; H224-Q226 PolarHBondContact ND1-OE1 2.94Å; H224-Q226 PolarHBondContact O-N 2.83Å; H224-Q226 VanDerWaalsContact O-N 3.11Å |
| 227 | K | 91.2 | Very high | 93.9 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 24% | 0.239 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -134.7 | 23.9 | -174.2 | -67.6 | -72.3 | -179.8 | 169.7 | 0 | 112.4 | F115 E118 L193 H224 P225 D229 T230 | F115-K227 HydrophobicContact CD1-CG 3.98Å; F115-K227 HydrophobicContact CD2-CD 4.37Å; F115-K227 HydrophobicContact CD2-CG 4.23Å; F115-K227 HydrophobicContact CE1-CG 3.96Å; F115-K227 HydrophobicContact CE2-CG 4.19Å; F115-K227 HydrophobicContact CG-CG 4.12Å; F115-K227 HydrophobicContact CZ-CG 4.06Å; E118-K227 IonicContact OE1-NZ 2.79Å; E118-K227 PolarHBondContact OE1-NZ 2.96Å; E118-K227 IonicContact OE2-NZ 3.66Å; L193-K227 HydrophobicContact CD1-CB 3.77Å; L193-K227 HydrophobicContact CD1-CD 4.34Å; L193-K227 HydrophobicContact CD1-CG 3.84Å; H224-K227 HydrophobicContact CB-CB 4.44Å; H224-K227 CarbonylContact O-C 3.58Å; H224-K227 PolarHBondContact O-N 2.82Å; P225-K227 VanDerWaalsContact C-N 3.27Å; P225-K227 PolarHBondContact O-N 2.83Å; K227-D229 PolarHBondContact O-N 2.99Å; K227-T230 VanDerWaalsContact O-CB 3.29Å; K227-T230 WeakPolarHBondContact O-CB 3.38Å; K227-T230 PolarHBondContact O-N 3.44Å; K227-T230 PolarHBondContact O-OG1 2.88Å |
| 228 | R | 89.3 | Confident | 93.9 | Very high | 179 Ų | 179 | 57.4 Ų | 57.4 | 68% | 0.675 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -33.8 | -176.1 | -76.6 | 171.7 | 178.5 | -169.4 | 2.2 | 114.3 | L223 H224 P225 T230 | L223-R228 WeakPolarHBondContact CD1-O 3.49Å; H224-R228 PolarHBondContact O-N 2.82Å; P225-R228 WeakPolarHBondContact O-CD 3.3Å; P225-R228 WeakPolarHBondContact O-CG 3.46Å; R228-T230 PolarHBondContact O-N 3.34Å |
| 229 | D | 90.6 | Very high | 93.5 | Very high | 159 Ų | 159 | 58 Ų | 58 | 85% | 0.85 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 6.6 | -177.4 | -43.9 | -61.3 | 0 | 0 | 0 | 113.3 | K227 P231 | K227-D229 PolarHBondContact O-N 2.99Å; D229-P231 WeakPolarHBondContact O-CD 3.5Å |
| 230 | T | 92.8 | Very high | 93.1 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | trans | -74.4 | 118.5 | -179.7 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | L193 L223 K227 R228 L232 T271 | L193-T230 HydrophobicContact CD2-CG2 4.44Å; L223-T230 WeakPolarHBondContact CD1-O 3.33Å; K227-T230 VanDerWaalsContact O-CB 3.29Å; K227-T230 WeakPolarHBondContact O-CB 3.38Å; K227-T230 PolarHBondContact O-N 3.44Å; K227-T230 PolarHBondContact O-OG1 2.88Å; R228-T230 PolarHBondContact O-N 3.34Å; T230-L232 PolarHBondContact O-N 2.92Å; T230-T271 HydrophobicContact CG2-CG2 4.3Å | ||
| 231 | P | 94.1 | Very high | 92.8 | Very high | 74 Ų | 74 | 71.1 Ų | 71.1 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | trans | -75.3 | 124.9 | -176.8 | 31.5 | -35.8 | 0 | 0 | 0 | 111.1 | D229 W248 A272 | D229-P231 WeakPolarHBondContact O-CD 3.5Å; P231-W248 HydrophobicContact CB-CH2 4.33Å; P231-W248 HydrophobicContact CB-CZ3 3.77Å; P231-A272 HydrophobicContact CG-CB 4.42Å; P231-A272 PolarHBondContact O-N 2.84Å | ||
| 232 | L | 96.1 | Very high | 92.7 | Very high | 18 Ų | 18 | 72.1 Ų | 72.1 | 9% | 0.094 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 142.8 | 177.5 | -62.9 | -177 | 0 | 0 | 0 | 111.4 | F194 T221 L223 T230 F234 A270 T271 | F194-L232 HydrophobicContact CB-CD1 4.32Å; F194-L232 HydrophobicContact CD1-CD1 4.23Å; F194-L232 HydrophobicContact CD1-CD2 3.76Å; F194-L232 HydrophobicContact CD2-CD1 4.43Å; F194-L232 HydrophobicContact CE1-CD2 3.72Å; F194-L232 HydrophobicContact CG-CD1 4.1Å; F194-L232 HydrophobicContact CG-CD2 4.44Å; F194-L232 HydrophobicContact CZ-CD2 4.36Å; T221-L232 HydrophobicContact CG2-CD1 3.77Å; L223-L232 HydrophobicContact CD1-CD1 4.21Å; L223-L232 HydrophobicContact CD1-CG 4.35Å; L223-L232 HydrophobicContact CD2-CD1 4.1Å; L223-L232 HydrophobicContact CD2-CD2 4.37Å; L223-L232 HydrophobicContact CD2-CG 4.3Å; L223-L232 HydrophobicContact CG-CD1 3.98Å; L223-L232 HydrophobicContact CG-CG 4.48Å; T230-L232 PolarHBondContact O-N 2.92Å; L232-F234 HydrophobicContact CB-CE2 4.21Å; L232-F234 HydrophobicContact CB-CZ 4.11Å; L232-A270 CarbonylContact C-O 3.49Å; L232-A270 WeakPolarHBondContact CA-O 3.48Å; L232-T271 HydrophobicContact CD2-CG2 4.23Å |
| 233 | Q | 97 | Very high | 92.6 | Very high | 26 Ų | 26 | 68.6 Ų | 68.6 | 12% | 0.121 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 145.3 | 171.4 | -63.9 | -177.7 | -17.4 | 0 | 0 | 109.8 | F246 D247 W248 A269 A270 | Q233-F246 HydrophobicContact CB-CB 4.3Å; Q233-F246 HydrophobicContact CB-CD1 3.72Å; Q233-F246 HydrophobicContact CB-CG 4.49Å; Q233-D247 CarbonylContact C-O 3.58Å; Q233-D247 WeakPolarHBondContact CA-O 3Å; Q233-W248 HydrophobicContact CG-CD2 4.11Å; Q233-W248 HydrophobicContact CG-CE3 3.55Å; Q233-W248 HydrophobicContact CG-CH2 3.81Å; Q233-W248 HydrophobicContact CG-CZ2 4.32Å; Q233-W248 HydrophobicContact CG-CZ3 3.35Å; Q233-A269 WeakPolarHBondContact O-CA 3.4Å; Q233-A270 PolarHBondContact N-O 2.88Å; Q233-A270 PolarHBondContact O-N 3.01Å |
| 234 | F | 97.4 | Very high | 92.5 | Very high | 19 Ų | 19 | 68.5 Ų | 68.5 | 8% | 0.083 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.8 | -178 | -54.2 | -91.1 | 0 | 0 | 0 | 110.7 | C219 T221 L232 R244 F246 D247 G249 A250 E268 A269 | C219-F234 HydrophobicContact CB-CD1 3.84Å; C219-F234 HydrophobicContact CB-CE1 4.38Å; T221-F234 HydrophobicContact CG2-CE1 3.94Å; T221-F234 HydrophobicContact CG2-CZ 4.23Å; L232-F234 HydrophobicContact CB-CE2 4.21Å; L232-F234 HydrophobicContact CB-CZ 4.11Å; F234-R244 PolarHBondContact O-NH1 2.92Å; F234-F246 WeakPolarHBondContact O-CA 3.47Å; F234-D247 PolarHBondContact N-O 2.94Å; F234-D247 PolarHBondContact O-N 2.97Å; F234-G249 WeakPolarHBondContact CB-O 3.01Å; F234-G249 WeakPolarHBondContact CD2-O 3.46Å; F234-A250 HydrophobicContact CD2-CB 3.96Å; F234-A250 HydrophobicContact CE1-CB 4.38Å; F234-A250 HydrophobicContact CE2-CB 3.77Å; F234-A250 HydrophobicContact CG-CB 4.36Å; F234-A250 HydrophobicContact CZ-CB 3.99Å; F234-E268 CarbonylContact C-O 3.51Å; F234-E268 WeakPolarHBondContact CA-O 3.28Å; F234-A269 HydrophobicContact CD1-CB 3.82Å; F234-A269 HydrophobicContact CE1-CB 3.83Å |
| 235 | A | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 150.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y237 R244 F246 C267 E268 | A235-Y237 HydrophobicContact CB-CE2 3.73Å; A235-R244 WeakPolarHBondContact CA-O 3.36Å; A235-R244 WeakPolarHBondContact CB-O 3.23Å; A235-F246 HydrophobicContact CB-CD1 4.06Å; A235-F246 HydrophobicContact CB-CD2 3.85Å; A235-F246 HydrophobicContact CB-CE1 3.98Å; A235-F246 HydrophobicContact CB-CE2 3.72Å; A235-F246 HydrophobicContact CB-CG 4Å; A235-F246 HydrophobicContact CB-CZ 3.79Å; A235-C267 CarbonylContact O-C 3.56Å; A235-C267 VanDerWaalsContact O-CA 3.29Å; A235-C267 WeakPolarHBondContact O-CA 3.39Å; A235-E268 PolarHBondContact N-O 2.91Å; A235-E268 PolarHBondContact O-N 2.75Å |
| 236 | F | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 142.1 | -179.4 | -75.3 | -93.7 | 0 | 0 | 0 | 111 | L199 L217 C219 V243 R244 A250 Y252 C267 | L199-F236 HydrophobicContact CD1-CD1 4.16Å; L199-F236 HydrophobicContact CD1-CE1 3.52Å; L217-F236 HydrophobicContact CB-CE1 4.01Å; C219-F236 HydrophobicContact CB-CE1 4.27Å; C219-F236 HydrophobicContact CB-CE2 4.47Å; C219-F236 HydrophobicContact CB-CZ 3.81Å; F236-V243 HydrophobicContact CB-CG2 3.8Å; F236-V243 WeakPolarHBondContact O-CG2 3.39Å; F236-V243 PolarHBondContact O-N 2.92Å; F236-R244 HydrophobicContact CB-CB 4.16Å; F236-R244 HydrophobicContact CD2-CB 4.49Å; F236-R244 PolarHBondContact N-O 2.79Å; F236-R244 PolarHBondContact O-N 2.78Å; F236-A250 WeakPolarHBondContact CZ-O 3.48Å; F236-Y252 HydrophobicContact CB-CD1 4.22Å; F236-Y252 HydrophobicContact CB-CG 4.22Å; F236-Y252 HydrophobicContact CD1-CD1 4.25Å; F236-Y252 HydrophobicContact CD1-CG 4.4Å; F236-Y252 HydrophobicContact CD2-CG 4.26Å; F236-Y252 HydrophobicContact CG-CD1 4.22Å; F236-Y252 HydrophobicContact CG-CG 4.06Å; F236-C267 HydrophobicContact CD1-CB 3.88Å; F236-C267 HydrophobicContact CE1-CB 3.88Å; F236-C267 HydrophobicContact CG-CB 4.43Å; F236-C267 HydrophobicContact CZ-CB 4.39Å |
| 237 | Y | 93.3 | Very high | 93 | Very high | 36 Ų | 36 | 72.3 Ų | 72.3 | 14% | 0.141 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 138.8 | -174.2 | -63.3 | -97.2 | 0 | 0 | 0 | 110.7 | A235 R241 A242 Y265 W266 E268 | A235-Y237 HydrophobicContact CB-CE2 3.73Å; Y237-R241 CarbonylContact C-O 3.52Å; Y237-R241 VanDerWaalsContact CA-O 3.26Å; Y237-R241 WeakPolarHBondContact CA-O 3.5Å; Y237-A242 HydrophobicContact CD1-CB 3.9Å; Y237-A242 HydrophobicContact CE1-CB 3.69Å; Y237-Y265 VanDerWaalsContact O-CA 3.31Å; Y237-Y265 WeakPolarHBondContact O-CA 3.4Å; Y237-W266 VanDerWaalsContact CB-NE1 3.28Å; Y237-W266 HydrophobicContact CD1-CH2 4.11Å; Y237-W266 AromaticContact CD1-CZ2 3.68Å; Y237-W266 HydrophobicContact CD1-CZ2 3.68Å; Y237-W266 HydrophobicContact CD2-CD2 4.17Å; Y237-W266 AromaticContact CD2-CE2 3.9Å; Y237-W266 HydrophobicContact CD2-CE3 4.12Å; Y237-W266 AromaticContact CD2-CH2 3.43Å; Y237-W266 HydrophobicContact CD2-CH2 3.43Å; Y237-W266 VanDerWaalsContact CD2-CH2 3.43Å; Y237-W266 AromaticContact CD2-CZ2 3.56Å; Y237-W266 HydrophobicContact CD2-CZ2 3.56Å; Y237-W266 AromaticContact CD2-CZ3 3.75Å; Y237-W266 HydrophobicContact CD2-CZ3 3.75Å; Y237-W266 HydrophobicContact CE1-CH2 4.23Å; Y237-W266 HydrophobicContact CE1-CZ2 4.21Å; Y237-W266 AromaticContact CE2-CH2 3.59Å; Y237-W266 HydrophobicContact CE2-CH2 3.59Å; Y237-W266 HydrophobicContact CE2-CZ2 4.11Å; Y237-W266 AromaticContact CE2-CZ3 3.97Å; Y237-W266 HydrophobicContact CE2-CZ3 3.97Å; Y237-W266 HydrophobicContact CG-CD2 4.31Å; Y237-W266 AromaticContact CG-CE2 3.64Å; Y237-W266 AromaticContact CG-CH2 3.72Å; Y237-W266 HydrophobicContact CG-CH2 3.72Å; Y237-W266 AromaticContact CG-CZ2 3.33Å; Y237-W266 HydrophobicContact CG-CZ2 3.33Å; Y237-W266 HydrophobicContact CG-CZ3 4.4Å; Y237-W266 PolarHBondContact N-O 2.83Å; Y237-W266 PolarHBondContact O-N 2.9Å; Y237-E268 HydrophobicContact CE2-CB 3.92Å |
| 238 | K | 90.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 76.4 Ų | 76.4 | 20% | 0.2 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 114.7 | 166 | 174.5 | 178.1 | 172.6 | 169.7 | 0 | 106.3 | S240 R241 V243 E263 Y265 | K238-S240 PolarHBondContact O-N 2.95Å; K238-S240 VanDerWaalsContact O-N 3.08Å; K238-R241 PolarHBondContact N-O 2.91Å; K238-R241 PolarHBondContact O-N 3.19Å; K238-V243 HydrophobicContact CB-CG1 3.66Å; K238-E263 WeakPolarHBondContact CE-OE1 3.01Å; K238-E263 WeakPolarHBondContact CE-OE2 3.44Å; K238-E263 IonicContact NZ-OE1 2.74Å; K238-E263 PolarHBondContact NZ-OE1 3.23Å; K238-E263 IonicContact NZ-OE2 2.69Å; K238-E263 PolarHBondContact NZ-OE2 3.01Å; K238-Y265 HydrophobicContact CB-CD1 4.17Å; K238-Y265 HydrophobicContact CB-CE1 3.8Å; K238-Y265 HydrophobicContact CG-CE1 4.36Å; K238-Y265 HydrophobicContact CG-CE2 4.46Å |
| 239 | Y | 86.4 | Confident | 93.3 | Very high | 102 Ų | 102 | 69.5 Ų | 69.5 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | -113.9 | -168.3 | -61.2 | -72 | 0 | 0 | 0 | 111.9 | E261 L262 S264 W266 W282 | Y239-E261 PolarHBondContact OH-O 2.82Å; Y239-L262 PolarHBondContact OH-O 3.06Å; Y239-S264 PolarHBondContact N-O 3.26Å; Y239-W266 PolarHBondContact O-NE1 2.64Å; Y239-W282 WeakPolarHBondContact O-CH2 3.49Å; Y239-W282 WeakPolarHBondContact O-CZ3 3.26Å |
| 240 | S | 87.3 | Confident | 93.5 | Very high | 115 Ų | 115 | 63.3 Ų | 63.3 | 80% | 0.804 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -11.6 | 175.3 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | K238 | K238-S240 PolarHBondContact O-N 2.95Å; K238-S240 VanDerWaalsContact O-N 3.08Å |
| 241 | R | 90.6 | Very high | 93.6 | Very high | 189 Ų | 189 | 65.7 Ų | 65.7 | 71% | 0.713 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 123.3 | -176.1 | -175.2 | 179.9 | -180 | -171.1 | -0 | 110.3 | Y237 K238 V243 | Y237-R241 CarbonylContact C-O 3.52Å; Y237-R241 VanDerWaalsContact CA-O 3.26Å; Y237-R241 WeakPolarHBondContact CA-O 3.5Å; K238-R241 PolarHBondContact N-O 2.91Å; K238-R241 PolarHBondContact O-N 3.19Å; R241-V243 PolarHBondContact O-N 3.01Å |
| 242 | A | 92.7 | Very high | 93.4 | Very high | 49 Ų | 49 | 64 Ų | 64 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 111.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y237 | Y237-A242 HydrophobicContact CD1-CB 3.9Å; Y237-A242 HydrophobicContact CE1-CB 3.69Å |
| 243 | V | 92.1 | Very high | 93.1 | Very high | 43 Ų | 43 | 67.1 Ų | 67.1 | 26% | 0.261 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -28.5 | 174.7 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | F236 K238 R241 Y252 Y265 | F236-V243 HydrophobicContact CB-CG2 3.8Å; F236-V243 WeakPolarHBondContact O-CG2 3.39Å; F236-V243 PolarHBondContact O-N 2.92Å; K238-V243 HydrophobicContact CB-CG1 3.66Å; R241-V243 PolarHBondContact O-N 3.01Å; V243-Y252 HydrophobicContact CB-CE1 4.35Å; V243-Y252 HydrophobicContact CB-CE2 4.47Å; V243-Y252 HydrophobicContact CG2-CD1 4.27Å; V243-Y252 HydrophobicContact CG2-CE1 3.62Å; V243-Y252 HydrophobicContact CG2-CE2 4.27Å; V243-Y265 HydrophobicContact CG2-CE1 4.27Å |
| 244 | R | 93.9 | Very high | 92.5 | Very high | 45 Ų | 45 | 66.1 Ų | 66.1 | 17% | 0.17 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.7 | 165.6 | -161.1 | 171.4 | 57.8 | 64.8 | -22.4 | 110.7 | F234 A235 F236 G249 E251 Y252 | F234-R244 PolarHBondContact O-NH1 2.92Å; A235-R244 WeakPolarHBondContact CA-O 3.36Å; A235-R244 WeakPolarHBondContact CB-O 3.23Å; F236-R244 HydrophobicContact CB-CB 4.16Å; F236-R244 HydrophobicContact CD2-CB 4.49Å; F236-R244 PolarHBondContact N-O 2.79Å; F236-R244 PolarHBondContact O-N 2.78Å; R244-G249 PolarHBondContact NH2-O 3.46Å; R244-E251 PolarHBondContact NE-O 2.98Å; R244-E251 PolarHBondContact NH2-O 2.77Å; R244-Y252 HydrophobicContact CB-CD2 4.16Å |
| 245 | R | 95.1 | Very high | 91.6 | Very high | 214 Ų | 214 | 69.3 Ų | 69.3 | 81% | 0.808 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 171.8 | 173.4 | -64.8 | -177.4 | -177.3 | -113.7 | 0.9 | 110.5 | D247 | R245-D247 PolarHBondContact O-N 3.34Å |
| 246 | F | 95.6 | Very high | 90.2 | Very high | 34 Ų | 34 | 74.9 Ų | 74.9 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 121.2 | 176.2 | -81.9 | -77.5 | 0 | 0 | 0 | 111.9 | Q233 F234 A235 E268 A270 | Q233-F246 HydrophobicContact CB-CB 4.3Å; Q233-F246 HydrophobicContact CB-CD1 3.72Å; Q233-F246 HydrophobicContact CB-CG 4.49Å; F234-F246 WeakPolarHBondContact O-CA 3.47Å; A235-F246 HydrophobicContact CB-CD1 4.06Å; A235-F246 HydrophobicContact CB-CD2 3.85Å; A235-F246 HydrophobicContact CB-CE1 3.98Å; A235-F246 HydrophobicContact CB-CE2 3.72Å; A235-F246 HydrophobicContact CB-CG 4Å; A235-F246 HydrophobicContact CB-CZ 3.79Å; F246-E268 HydrophobicContact CZ-CB 4.06Å; F246-E268 HydrophobicContact CZ-CG 4.02Å; F246-E268 VanDerWaalsContact CZ-OE1 3.23Å; F246-E268 WeakPolarHBondContact CZ-OE1 3.48Å; F246-A270 HydrophobicContact CD1-CB 4.38Å; F246-A270 HydrophobicContact CE1-CB 3.63Å; F246-A270 HydrophobicContact CZ-CB 4.16Å |
| 247 | D | 94.6 | Very high | 88.5 | Confident | 80 Ų | 80 | 78.4 Ų | 78.4 | 43% | 0.428 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 168.8 | 177.2 | -177.1 | 30.1 | 0 | 0 | 0 | 109.2 | Q233 F234 R245 | Q233-D247 CarbonylContact C-O 3.58Å; Q233-D247 WeakPolarHBondContact CA-O 3Å; F234-D247 PolarHBondContact N-O 2.94Å; F234-D247 PolarHBondContact O-N 2.97Å; R245-D247 PolarHBondContact O-N 3.34Å |
| 248 | W | 94.1 | Very high | 86.7 | Confident | 142 Ų | 142 | 84 Ų | 84 | 54% | 0.538 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -75.6 | -25 | -174.6 | -53.7 | 108 | 0 | 0 | 0 | 114.2 | P231 Q233 A250 A272 | P231-W248 HydrophobicContact CB-CH2 4.33Å; P231-W248 HydrophobicContact CB-CZ3 3.77Å; Q233-W248 HydrophobicContact CG-CD2 4.11Å; Q233-W248 HydrophobicContact CG-CE3 3.55Å; Q233-W248 HydrophobicContact CG-CH2 3.81Å; Q233-W248 HydrophobicContact CG-CZ2 4.32Å; Q233-W248 HydrophobicContact CG-CZ3 3.35Å; W248-A250 PolarHBondContact O-N 2.92Å; W248-A272 HydrophobicContact CH2-CB 3.85Å; W248-A272 HydrophobicContact CZ3-CB 4.3Å |
| 249 | G | 93.4 | Very high | 84.8 | Confident | 33 Ų | 33 | 89 Ų | 89 | 34% | 0.34 | 46% | 0.456 | S | S | . | . | trans | -62.1 | 132.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | F234 R244 E251 | F234-G249 WeakPolarHBondContact CB-O 3.01Å; F234-G249 WeakPolarHBondContact CD2-O 3.46Å; R244-G249 PolarHBondContact NH2-O 3.46Å; G249-E251 VanDerWaalsContact C-N 3.27Å | ||
| 250 | A | 94.1 | Very high | 83.3 | Confident | 29 Ų | 29 | 91.1 Ų | 91.1 | 24% | 0.24 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -85.3 | -0.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | C219 F234 F236 W248 | C219-A250 PolarHBondContact N-O 2.88Å; F234-A250 HydrophobicContact CD2-CB 3.96Å; F234-A250 HydrophobicContact CE1-CB 4.38Å; F234-A250 HydrophobicContact CE2-CB 3.77Å; F234-A250 HydrophobicContact CG-CB 4.36Å; F234-A250 HydrophobicContact CZ-CB 3.99Å; F236-A250 WeakPolarHBondContact CZ-O 3.48Å; W248-A250 PolarHBondContact O-N 2.92Å |
| 251 | E | 94.8 | Very high | 81.6 | Confident | 86 Ų | 86 | 93.8 Ų | 93.8 | 40% | 0.402 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 160.2 | -171.2 | -68.1 | 171.3 | -178.3 | 0 | 0 | 111.3 | L217 R218 R244 G249 | L217-E251 CarbonylContact O-C 3.59Å; L217-E251 VanDerWaalsContact O-CA 3.26Å; L217-E251 WeakPolarHBondContact O-CA 3.45Å; R218-E251 HydrophobicContact CB-CG 4Å; R218-E251 WeakPolarHBondContact CD-OE1 3.35Å; R218-E251 HydrophobicContact CG-CG 3.87Å; R218-E251 IonicContact CZ-OE1 2.69Å; R218-E251 IonicContact NE-OE1 3.26Å; R218-E251 IonicContact NH1-OE1 3.7Å; R218-E251 PolarHBondContact NH1-OE1 2.79Å; R244-E251 PolarHBondContact NE-O 2.98Å; R244-E251 PolarHBondContact NH2-O 2.77Å; G249-E251 VanDerWaalsContact C-N 3.27Å |
| 252 | Y | 90.6 | Very high | 80.1 | Confident | 37 Ų | 37 | 90.4 Ų | 90.4 | 15% | 0.145 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 120.9 | 177.9 | 169.3 | -110.3 | 0 | 0 | 0 | 110 | L217 F236 V243 R244 V254 Y265 | L217-Y252 HydrophobicContact CD1-CD1 4.47Å; L217-Y252 PolarHBondContact N-O 3.39Å; L217-Y252 PolarHBondContact O-N 2.83Å; F236-Y252 HydrophobicContact CB-CD1 4.22Å; F236-Y252 HydrophobicContact CB-CG 4.22Å; F236-Y252 HydrophobicContact CD1-CD1 4.25Å; F236-Y252 HydrophobicContact CD1-CG 4.4Å; F236-Y252 HydrophobicContact CD2-CG 4.26Å; F236-Y252 HydrophobicContact CG-CD1 4.22Å; F236-Y252 HydrophobicContact CG-CG 4.06Å; V243-Y252 HydrophobicContact CB-CE1 4.35Å; V243-Y252 HydrophobicContact CB-CE2 4.47Å; V243-Y252 HydrophobicContact CG2-CD1 4.27Å; V243-Y252 HydrophobicContact CG2-CE1 3.62Å; V243-Y252 HydrophobicContact CG2-CE2 4.27Å; R244-Y252 HydrophobicContact CB-CD2 4.16Å; Y252-V254 HydrophobicContact CD1-CG2 4.05Å; Y252-V254 HydrophobicContact CE1-CB 4.46Å; Y252-V254 HydrophobicContact CE1-CG2 3.81Å; Y252-V254 PolarHBondContact O-N 2.9Å; Y252-Y265 HydrophobicContact CE1-CE1 4.01Å |
| 253 | T | 89.2 | Confident | 79.3 | Confident | 85 Ų | 85 | 89 Ų | 89 | 52% | 0.521 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 119.1 | 171.4 | -47.5 | 0 | 0 | 0 | 0 | 109.3 | V216 | V216-T253 HydrophobicContact CG2-CG2 4.31Å |
| 254 | V | 83.8 | Confident | 79.1 | Confident | 4 Ų | 4 | 87.6 Ų | 87.6 | 2% | 0.024 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 123.7 | 170 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | G214 V215 L217 Y252 Y265 L285 | G214-V254 WeakPolarHBondContact CA-O 3.36Å; V215-V254 HydrophobicContact CB-CB 4.35Å; V215-V254 PolarHBondContact N-O 2.64Å; V215-V254 WeakPolarHBondContact O-CB 3.5Å; V215-V254 PolarHBondContact O-N 3.16Å; L217-V254 HydrophobicContact CD1-CG2 3.43Å; L217-V254 VanDerWaalsContact CD1-CG2 3.43Å; L217-V254 HydrophobicContact CG-CG2 3.69Å; Y252-V254 HydrophobicContact CD1-CG2 4.05Å; Y252-V254 HydrophobicContact CE1-CB 4.46Å; Y252-V254 HydrophobicContact CE1-CG2 3.81Å; Y252-V254 PolarHBondContact O-N 2.9Å; V254-Y265 HydrophobicContact CG1-CE2 4.31Å; V254-Y265 WeakPolarHBondContact CG1-OH 3.34Å; V254-Y265 HydrophobicContact CG2-CE1 4.18Å; V254-L285 HydrophobicContact CG1-CD1 4.03Å; V254-L285 HydrophobicContact CG2-CD1 4.21Å |
| 255 | P | 80 | Confident | 78.9 | Confident | 87 Ų | 87 | 85.7 Ų | 85.7 | 57% | 0.565 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 156.3 | 169.1 | -22.9 | 34.1 | 0 | 0 | 0 | 110.8 | ||
| 256 | E | 67.9 | Low | 79 | Confident | 117 Ų | 117 | 76 Ų | 76 | 55% | 0.547 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 134.5 | 175.8 | -69.4 | -177.6 | 173.6 | 0 | 0 | 110.4 | G213 E258 | G213-E256 WeakPolarHBondContact CA-OE1 3.24Å; E256-E258 PolarHBondContact O-N 2.85Å |
| 257 | P | 59.8 | Low | 79 | Confident | 74 Ų | 74 | 74.4 Ų | 74.4 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 120 | -173.4 | 25.9 | -33.5 | 0 | 0 | 0 | 110.3 | P288 | P257-P288 HydrophobicContact CG-CG 4.38Š|
| 258 | E | 54 | Low | 79.1 | Confident | 154 Ų | 154 | 70.7 Ų | 70.7 | 72% | 0.72 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 151.3 | 153.1 | -69.6 | 178.1 | 142.1 | 0 | 0 | 108 | E256 E260 | E256-E258 PolarHBondContact O-N 2.85Å; E258-E260 PolarHBondContact O-N 2.84Å |
| 259 | V | 51.9 | Low | 79.3 | Confident | 151 Ų | 151 | 63.9 Ų | 63.9 | 92% | 0.915 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -78.5 | 41.6 | -164.4 | -164.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 260 | E | 53.3 | Low | 79.5 | Confident | 145 Ų | 145 | 62.3 Ų | 62.3 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | trans | -101.5 | 137.6 | 177.9 | -63.3 | -164.8 | 160.1 | 0 | 0 | 111.3 | E258 | E258-E260 PolarHBondContact O-N 2.84Š| ||
| 261 | E | 53.1 | Low | 79.5 | Confident | 172 Ų | 172 | 61.3 Ų | 61.3 | 80% | 0.804 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 140.2 | -158 | -59.4 | 174.7 | 135.9 | 0 | 0 | 114.8 | Y239 E263 | Y239-E261 PolarHBondContact OH-O 2.82Å; E261-E263 PolarHBondContact O-N 3.44Å |
| 262 | L | 58.5 | Low | 79.4 | Confident | 118 Ų | 118 | 59.3 Ų | 59.3 | 62% | 0.618 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 40.3 | 160.2 | -64.9 | 167.9 | 0 | 0 | 0 | 116.9 | Y239 S264 | Y239-L262 PolarHBondContact OH-O 3.06Å; L262-S264 PolarHBondContact O-N 2.82Å; L262-S264 PolarHBondContact O-OG 2.87Å; L262-S264 VanDerWaalsContact O-OG 3.09Å |
| 263 | E | 75.1 | Confident | 79.4 | Confident | 19 Ų | 19 | 63 Ų | 63 | 9% | 0.089 | 34% | 0.344 | C | S | . | . | trans | -50.4 | 108.1 | -178.4 | -50.6 | -156.4 | 166.5 | 0 | 0 | 113.9 | K238 E261 Y265 L285 | K238-E263 WeakPolarHBondContact CE-OE1 3.01Å; K238-E263 WeakPolarHBondContact CE-OE2 3.44Å; K238-E263 IonicContact NZ-OE1 2.74Å; K238-E263 PolarHBondContact NZ-OE1 3.23Å; K238-E263 IonicContact NZ-OE2 2.69Å; K238-E263 PolarHBondContact NZ-OE2 3.01Å; E261-E263 PolarHBondContact O-N 3.44Å; E263-Y265 HydrophobicContact CB-CD2 4.27Å; E263-Y265 HydrophobicContact CB-CE2 3.67Å; E263-Y265 PolarHBondContact OE2-OH 2.91Å; E263-L285 PolarHBondContact O-N 2.85Å | ||
| 264 | S | 87.8 | Confident | 79.4 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.3 | -177.3 | -62.2 | 0 | 0 | 0 | 0 | 110.9 | Y239 L262 | Y239-S264 PolarHBondContact N-O 3.26Å; L262-S264 PolarHBondContact O-N 2.82Å; L262-S264 PolarHBondContact O-OG 2.87Å; L262-S264 VanDerWaalsContact O-OG 3.09Å |
| 265 | Y | 91.3 | Very high | 79.8 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 2% | 0.024 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 153 | -178.1 | -74.5 | -96.2 | 0 | 0 | 0 | 112.1 | L217 Y237 K238 V243 Y252 V254 E263 W282 L283 L285 | L217-Y265 HydrophobicContact CD1-CD1 3.86Å; L217-Y265 HydrophobicContact CD1-CD2 4.43Å; L217-Y265 HydrophobicContact CD1-CG 3.8Å; Y237-Y265 VanDerWaalsContact O-CA 3.31Å; Y237-Y265 WeakPolarHBondContact O-CA 3.4Å; K238-Y265 HydrophobicContact CB-CD1 4.17Å; K238-Y265 HydrophobicContact CB-CE1 3.8Å; K238-Y265 HydrophobicContact CG-CE1 4.36Å; K238-Y265 HydrophobicContact CG-CE2 4.46Å; V243-Y265 HydrophobicContact CG2-CE1 4.27Å; Y252-Y265 HydrophobicContact CE1-CE1 4.01Å; V254-Y265 HydrophobicContact CG1-CE2 4.31Å; V254-Y265 WeakPolarHBondContact CG1-OH 3.34Å; V254-Y265 HydrophobicContact CG2-CE1 4.18Å; E263-Y265 HydrophobicContact CB-CD2 4.27Å; E263-Y265 HydrophobicContact CB-CE2 3.67Å; E263-Y265 PolarHBondContact OE2-OH 2.91Å; Y265-W282 CarbonylContact O-C 3.56Å; Y265-W282 WeakPolarHBondContact O-CA 3.27Å; Y265-L283 PolarHBondContact N-O 2.88Å; Y265-L283 PolarHBondContact O-N 3.47Å; Y265-L285 HydrophobicContact CD2-CD1 3.75Å; Y265-L285 HydrophobicContact CD2-CG 4.04Å; Y265-L285 HydrophobicContact CE2-CD1 3.57Å; Y265-L285 HydrophobicContact CE2-CG 4.32Å |
| 266 | W | 95.4 | Very high | 80.5 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 160.3 | 167.9 | 62 | -73 | 0 | 0 | 0 | 110.1 | Y237 Y239 E268 R279 S280 W282 | Y237-W266 VanDerWaalsContact CB-NE1 3.28Å; Y237-W266 HydrophobicContact CD1-CH2 4.11Å; Y237-W266 AromaticContact CD1-CZ2 3.68Å; Y237-W266 HydrophobicContact CD1-CZ2 3.68Å; Y237-W266 HydrophobicContact CD2-CD2 4.17Å; Y237-W266 AromaticContact CD2-CE2 3.9Å; Y237-W266 HydrophobicContact CD2-CE3 4.12Å; Y237-W266 AromaticContact CD2-CH2 3.43Å; Y237-W266 HydrophobicContact CD2-CH2 3.43Å; Y237-W266 VanDerWaalsContact CD2-CH2 3.43Å; Y237-W266 AromaticContact CD2-CZ2 3.56Å; Y237-W266 HydrophobicContact CD2-CZ2 3.56Å; Y237-W266 AromaticContact CD2-CZ3 3.75Å; Y237-W266 HydrophobicContact CD2-CZ3 3.75Å; Y237-W266 HydrophobicContact CE1-CH2 4.23Å; Y237-W266 HydrophobicContact CE1-CZ2 4.21Å; Y237-W266 AromaticContact CE2-CH2 3.59Å; Y237-W266 HydrophobicContact CE2-CH2 3.59Å; Y237-W266 HydrophobicContact CE2-CZ2 4.11Å; Y237-W266 AromaticContact CE2-CZ3 3.97Å; Y237-W266 HydrophobicContact CE2-CZ3 3.97Å; Y237-W266 HydrophobicContact CG-CD2 4.31Å; Y237-W266 AromaticContact CG-CE2 3.64Å; Y237-W266 AromaticContact CG-CH2 3.72Å; Y237-W266 HydrophobicContact CG-CH2 3.72Å; Y237-W266 AromaticContact CG-CZ2 3.33Å; Y237-W266 HydrophobicContact CG-CZ2 3.33Å; Y237-W266 HydrophobicContact CG-CZ3 4.4Å; Y237-W266 PolarHBondContact N-O 2.83Å; Y237-W266 PolarHBondContact O-N 2.9Å; Y239-W266 PolarHBondContact O-NE1 2.64Å; W266-E268 HydrophobicContact CZ3-CB 3.83Å; W266-E268 HydrophobicContact CZ3-CG 4.2Å; W266-R279 HydrophobicContact CE3-CB 4.08Å; W266-R279 HydrophobicContact CE3-CG 4.15Å; W266-R279 HydrophobicContact CZ3-CB 4.09Å; W266-R279 VanDerWaalsContact CZ3-CD 3.47Å; W266-R279 HydrophobicContact CZ3-CG 3.64Å; W266-S280 WeakPolarHBondContact CB-OG 3.43Å; W266-W282 HydrophobicContact CB-CE3 4.37Å; W266-W282 AromaticContact CD1-CE3 3.37Å; W266-W282 AromaticContact CD1-CH2 3.57Å; W266-W282 AromaticContact CD1-CZ3 3.03Å; W266-W282 HydrophobicContact CG-CE3 4.08Å; W266-W282 HydrophobicContact CG-CH2 4.46Å; W266-W282 HydrophobicContact CG-CZ3 4.06Å; W266-W282 AromaticContact NE1-CH2 3.37Å; W266-W282 AromaticContact NE1-CZ3 3.29Å; W266-W282 VanDerWaalsContact NE1-CZ3 3.29Å |
| 267 | C | 96.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 155.3 | 177 | 70.6 | 0 | 0 | 0 | 0 | 112.2 | L199 C219 A235 F236 S280 | L199-C267 HydrophobicContact CD1-CB 4.27Å; C219-C267 HydrophobicContact CB-CB 3.62Å; C219-C267 WeakPolarHBondContact CB-SG 3.37Å; C219-C267 WeakPolarHBondContact SG-CB 3.39Å; C219-C267 CovalentContact SG-SG 2.03Å; C219-C267 PolarHBondContact SG-SG 2.04Å; A235-C267 CarbonylContact O-C 3.56Å; A235-C267 VanDerWaalsContact O-CA 3.29Å; A235-C267 WeakPolarHBondContact O-CA 3.39Å; F236-C267 HydrophobicContact CD1-CB 3.88Å; F236-C267 HydrophobicContact CE1-CB 3.88Å; F236-C267 HydrophobicContact CG-CB 4.43Å; F236-C267 HydrophobicContact CZ-CB 4.39Å; C267-S280 PolarHBondContact N-OG 2.94Å; C267-S280 PolarHBondContact O-N 3.48Å; C267-S280 PolarHBondContact O-OG 2.95Å |
| 268 | E | 97.3 | Very high | 83.5 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 120.3 | 177.3 | -159.1 | 171.4 | 89.8 | 0 | 0 | 108.9 | F234 A235 Y237 F246 W266 R277 K278 R279 | F234-E268 CarbonylContact C-O 3.51Å; F234-E268 WeakPolarHBondContact CA-O 3.28Å; A235-E268 PolarHBondContact N-O 2.91Å; A235-E268 PolarHBondContact O-N 2.75Å; Y237-E268 HydrophobicContact CE2-CB 3.92Å; F246-E268 HydrophobicContact CZ-CB 4.06Å; F246-E268 HydrophobicContact CZ-CG 4.02Å; F246-E268 VanDerWaalsContact CZ-OE1 3.23Å; F246-E268 WeakPolarHBondContact CZ-OE1 3.48Å; W266-E268 HydrophobicContact CZ3-CB 3.83Å; W266-E268 HydrophobicContact CZ3-CG 4.2Å; E268-R277 HydrophobicContact CG-CG 3.83Å; E268-R277 VanDerWaalsContact OE1-CD 3.26Å; E268-R277 WeakPolarHBondContact OE1-CD 3.43Å; E268-R277 IonicContact OE1-CZ 2.96Å; E268-R277 IonicContact OE1-NE 3.67Å; E268-R277 IonicContact OE1-NH1 2.69Å; E268-R277 PolarHBondContact OE1-NH1 3.4Å; E268-R277 IonicContact OE1-NH2 2.91Å; E268-K278 WeakPolarHBondContact CA-O 3.4Å; E268-R279 HydrophobicContact CG-CG 4.1Å; E268-R279 IonicContact OE2-CZ 2.59Å; E268-R279 VanDerWaalsContact OE2-CZ 3.26Å; E268-R279 IonicContact OE2-NE 3.51Å; E268-R279 PolarHBondContact OE2-NE 2.79Å; E268-R279 IonicContact OE2-NH2 3.71Å; E268-R279 PolarHBondContact OE2-NH2 2.96Å |
| 269 | A | 97.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | F194 P197 T221 Q233 F234 R277 K278 | F194-A269 HydrophobicContact CE2-CB 3.84Å; F194-A269 HydrophobicContact CZ-CB 4.46Å; F194-A269 WeakPolarHBondContact CZ-O 3.45Å; P197-A269 HydrophobicContact CB-CB 4.14Å; P197-A269 HydrophobicContact CG-CB 3.94Å; T221-A269 HydrophobicContact CG2-CB 4.49Å; Q233-A269 WeakPolarHBondContact O-CA 3.4Å; F234-A269 HydrophobicContact CD1-CB 3.82Å; F234-A269 HydrophobicContact CE1-CB 3.83Å; A269-R277 WeakPolarHBondContact O-CA 3.48Å; A269-K278 PolarHBondContact N-O 3.22Å; A269-K278 PolarHBondContact O-N 2.85Å |
| 270 | A | 96.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 156.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L232 Q233 F246 V276 R277 | L232-A270 CarbonylContact C-O 3.49Å; L232-A270 WeakPolarHBondContact CA-O 3.48Å; Q233-A270 PolarHBondContact N-O 2.88Å; Q233-A270 PolarHBondContact O-N 3.01Å; F246-A270 HydrophobicContact CD1-CB 4.38Å; F246-A270 HydrophobicContact CE1-CB 3.63Å; F246-A270 HydrophobicContact CZ-CB 4.16Å; A270-V276 CarbonylContact C-O 3.59Å; A270-V276 WeakPolarHBondContact CA-O 3.11Å; A270-V276 WeakPolarHBondContact CB-O 2.97Å; A270-R277 HydrophobicContact CB-CB 4.18Å; A270-R277 HydrophobicContact CB-CG 4.38Å |
| 271 | T | 95.3 | Very high | 89.7 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 157.3 | 166.2 | 51.7 | 0 | 0 | 0 | 0 | 110.8 | L193 F194 T230 L232 T273 R274 S275 V276 | L193-T271 HydrophobicContact CD2-CG2 3.48Å; L193-T271 VanDerWaalsContact CD2-CG2 3.48Å; F194-T271 HydrophobicContact CE1-CG2 4.42Å; T230-T271 HydrophobicContact CG2-CG2 4.3Å; L232-T271 HydrophobicContact CD2-CG2 4.23Å; T271-T273 PolarHBondContact O-N 2.66Å; T271-T273 PolarHBondContact OG1-OG1 2.91Å; T271-R274 WeakPolarHBondContact O-CA 3.13Å; T271-R274 PolarHBondContact O-N 3.16Å; T271-R274 PolarHBondContact OG1-N 2.69Å; T271-S275 PolarHBondContact OG1-N 2.99Å; T271-S275 VanDerWaalsContact OG1-N 3.14Å; T271-S275 PolarHBondContact OG1-OG 3.29Å; T271-S275 VanDerWaalsContact OG1-OG 3.07Å; T271-V276 HydrophobicContact CG2-CB 4.12Å; T271-V276 HydrophobicContact CG2-CG2 4.36Å; T271-V276 PolarHBondContact N-O 2.9Å; T271-V276 PolarHBondContact OG1-N 2.9Å |
| 272 | A | 92 | Very high | 91.6 | Very high | 45 Ų | 45 | 49.7 Ų | 49.7 | 37% | 0.372 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -37.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | P231 W248 R274 | P231-A272 HydrophobicContact CG-CB 4.42Å; P231-A272 PolarHBondContact O-N 2.84Å; W248-A272 HydrophobicContact CH2-CB 3.85Å; W248-A272 HydrophobicContact CZ3-CB 4.3Å; A272-R274 VanDerWaalsContact C-N 3.27Å; A272-R274 PolarHBondContact O-N 2.96Å |
| 273 | T | 90.4 | Very high | 93.1 | Very high | 113 Ų | 113 | 46.2 Ų | 46.2 | 69% | 0.693 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -7.1 | 174.5 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | T271 S275 | T271-T273 PolarHBondContact O-N 2.66Å; T271-T273 PolarHBondContact OG1-OG1 2.91Å; T273-S275 PolarHBondContact O-N 3.24Å; T273-S275 PolarHBondContact OG1-OG 3.23Å |
| 274 | R | 90.4 | Very high | 93.6 | Very high | 135 Ų | 135 | 51.4 Ų | 51.4 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 59.6 | 17.7 | -176.3 | -54.1 | 172.9 | 177.1 | -178.2 | 3.6 | 114.5 | T271 A272 V276 | T271-R274 WeakPolarHBondContact O-CA 3.13Å; T271-R274 PolarHBondContact O-N 3.16Å; T271-R274 PolarHBondContact OG1-N 2.69Å; A272-R274 VanDerWaalsContact C-N 3.27Å; A272-R274 PolarHBondContact O-N 2.96Å; R274-V276 VanDerWaalsContact C-N 3.31Å; R274-V276 PolarHBondContact O-N 2.85Å |
| 275 | S | 91 | Very high | 93.1 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 21% | 0.21 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -64.1 | -33.8 | 175.3 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | T271 T273 | T271-S275 PolarHBondContact OG1-N 2.99Å; T271-S275 VanDerWaalsContact OG1-N 3.14Å; T271-S275 PolarHBondContact OG1-OG 3.29Å; T271-S275 VanDerWaalsContact OG1-OG 3.07Å; T273-S275 PolarHBondContact O-N 3.24Å; T273-S275 PolarHBondContact OG1-OG 3.23Å |
| 276 | V | 95.3 | Very high | 91.8 | Very high | 9 Ų | 9 | 55.5 Ų | 55.5 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -117.6 | 134.6 | 170.7 | -170.2 | 0 | 0 | 0 | 0 | 108.2 | E116 L193 F194 A270 T271 R274 | E116-V276 HydrophobicContact CB-CG1 4.22Å; E116-V276 HydrophobicContact CB-CG2 3.75Å; E116-V276 WeakPolarHBondContact O-CG2 3.28Å; L193-V276 HydrophobicContact CD2-CB 4.25Å; L193-V276 HydrophobicContact CD2-CG2 3.82Å; F194-V276 HydrophobicContact CD1-CG1 4.38Å; F194-V276 HydrophobicContact CE1-CB 3.91Å; F194-V276 HydrophobicContact CE1-CG1 3.58Å; F194-V276 HydrophobicContact CZ-CB 4.4Å; F194-V276 HydrophobicContact CZ-CG1 3.87Å; A270-V276 CarbonylContact C-O 3.59Å; A270-V276 WeakPolarHBondContact CA-O 3.11Å; A270-V276 WeakPolarHBondContact CB-O 2.97Å; T271-V276 HydrophobicContact CG2-CB 4.12Å; T271-V276 HydrophobicContact CG2-CG2 4.36Å; T271-V276 PolarHBondContact N-O 2.9Å; T271-V276 PolarHBondContact OG1-N 2.9Å; R274-V276 VanDerWaalsContact C-N 3.31Å; R274-V276 PolarHBondContact O-N 2.85Å |
| 277 | R | 95.3 | Very high | 90 | Very high | 101 Ų | 101 | 57.3 Ų | 57.3 | 38% | 0.381 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 122.3 | -176.1 | 175.6 | 177.9 | -70.7 | -113.2 | -26.4 | 108.7 | E268 A269 A270 | E268-R277 HydrophobicContact CG-CG 3.83Å; E268-R277 VanDerWaalsContact OE1-CD 3.26Å; E268-R277 WeakPolarHBondContact OE1-CD 3.43Å; E268-R277 IonicContact OE1-CZ 2.96Å; E268-R277 IonicContact OE1-NE 3.67Å; E268-R277 IonicContact OE1-NH1 2.69Å; E268-R277 PolarHBondContact OE1-NH1 3.4Å; E268-R277 IonicContact OE1-NH2 2.91Å; A269-R277 WeakPolarHBondContact O-CA 3.48Å; A270-R277 HydrophobicContact CB-CB 4.18Å; A270-R277 HydrophobicContact CB-CG 4.38Å |
| 278 | K | 96.3 | Very high | 87.8 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 13% | 0.13 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 145.5 | 179.9 | -60 | -175.4 | 178.2 | 175.7 | 0 | 110.2 | E116 E192 F194 E268 A269 | E116-K278 IonicContact OE1-NZ 3.64Å; E116-K278 PolarHBondContact OE1-NZ 3.44Å; E116-K278 WeakPolarHBondContact OE2-CE 3.46Å; E116-K278 IonicContact OE2-NZ 2.91Å; E116-K278 PolarHBondContact OE2-NZ 3.17Å; E192-K278 IonicContact OE1-NZ 2.73Å; E192-K278 PolarHBondContact OE1-NZ 2.86Å; F194-K278 HydrophobicContact CD2-CD 4.29Å; F194-K278 HydrophobicContact CE2-CB 3.91Å; F194-K278 HydrophobicContact CE2-CD 4.03Å; F194-K278 HydrophobicContact CE2-CG 3.99Å; F194-K278 HydrophobicContact CZ-CB 4.48Å; F194-K278 HydrophobicContact CZ-CG 4.28Å; F194-K278 WeakPolarHBondContact O-CD 3.5Å; F194-K278 PolarHBondContact O-NZ 3.39Å; E268-K278 WeakPolarHBondContact CA-O 3.4Å; A269-K278 PolarHBondContact N-O 3.22Å; A269-K278 PolarHBondContact O-N 2.85Å |
| 279 | R | 96.4 | Very high | 85.6 | Confident | 152 Ų | 152 | 67 Ų | 67 | 57% | 0.574 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 146.9 | -178.2 | -59.9 | -169.1 | 160.4 | -167.3 | -12.8 | 110.3 | W266 E268 | W266-R279 HydrophobicContact CE3-CB 4.08Å; W266-R279 HydrophobicContact CE3-CG 4.15Å; W266-R279 HydrophobicContact CZ3-CB 4.09Å; W266-R279 VanDerWaalsContact CZ3-CD 3.47Å; W266-R279 HydrophobicContact CZ3-CG 3.64Å; E268-R279 HydrophobicContact CG-CG 4.1Å; E268-R279 IonicContact OE2-CZ 2.59Å; E268-R279 VanDerWaalsContact OE2-CZ 3.26Å; E268-R279 IonicContact OE2-NE 3.51Å; E268-R279 PolarHBondContact OE2-NE 2.79Å; E268-R279 IonicContact OE2-NH2 3.71Å; E268-R279 PolarHBondContact OE2-NH2 2.96Å |
| 280 | S | 97.3 | Very high | 82.9 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 8% | 0.077 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 161 | 166.2 | 75.1 | 0 | 0 | 0 | 0 | 111 | P197 W266 C267 | P197-S280 WeakPolarHBondContact O-CA 3.33Å; P197-S280 WeakPolarHBondContact O-CB 3.28Å; W266-S280 WeakPolarHBondContact CB-OG 3.43Å; C267-S280 PolarHBondContact N-OG 2.94Å; C267-S280 PolarHBondContact O-N 3.48Å; C267-S280 PolarHBondContact O-OG 2.95Å |
| 281 | P | 95.4 | Very high | 80.2 | Confident | 86 Ų | 86 | 75.4 Ų | 75.4 | 56% | 0.558 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 163.9 | 155.2 | -20.6 | 33.8 | 0 | 0 | 0 | 111.4 | ||
| 282 | W | 92.8 | Very high | 77.7 | Confident | 157 Ų | 157 | 81.3 Ų | 81.3 | 60% | 0.595 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 137.7 | 171.2 | -55.7 | 91 | 0 | 0 | 0 | 110.5 | Y239 Y265 W266 | Y239-W282 WeakPolarHBondContact O-CH2 3.49Å; Y239-W282 WeakPolarHBondContact O-CZ3 3.26Å; Y265-W282 CarbonylContact O-C 3.56Å; Y265-W282 WeakPolarHBondContact O-CA 3.27Å; W266-W282 HydrophobicContact CB-CE3 4.37Å; W266-W282 AromaticContact CD1-CE3 3.37Å; W266-W282 AromaticContact CD1-CH2 3.57Å; W266-W282 AromaticContact CD1-CZ3 3.03Å; W266-W282 HydrophobicContact CG-CE3 4.08Å; W266-W282 HydrophobicContact CG-CH2 4.46Å; W266-W282 HydrophobicContact CG-CZ3 4.06Å; W266-W282 AromaticContact NE1-CH2 3.37Å; W266-W282 AromaticContact NE1-CZ3 3.29Å; W266-W282 VanDerWaalsContact NE1-CZ3 3.29Å |
| 283 | L | 89.4 | Confident | 74.8 | Confident | 45 Ų | 45 | 85.5 Ų | 85.5 | 24% | 0.236 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.1 | 171 | 178.5 | 67.4 | 0 | 0 | 0 | 108.2 | L199 V201 L217 Y265 | L199-L283 HydrophobicContact CB-CB 4.38Å; L199-L283 HydrophobicContact CB-CD2 4.44Å; L199-L283 HydrophobicContact CD2-CB 3.81Å; L199-L283 HydrophobicContact CD2-CD2 4.08Å; L199-L283 HydrophobicContact CG-CB 4.15Å; L199-L283 HydrophobicContact CG-CD2 3.77Å; V201-L283 HydrophobicContact CG2-CD2 3.95Å; L217-L283 HydrophobicContact CD2-CD2 3.71Å; Y265-L283 PolarHBondContact N-O 2.88Å; Y265-L283 PolarHBondContact O-N 3.47Å |
| 284 | Q | 85.8 | Confident | 72.5 | Confident | 127 Ų | 127 | 86.6 Ų | 86.6 | 59% | 0.593 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 129.9 | 168.6 | -72.2 | 175.3 | -29 | 0 | 0 | 108.5 | ||
| 285 | L | 77.6 | Confident | 69.9 | Low | 28 Ų | 28 | 84.4 Ų | 84.4 | 15% | 0.147 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 141.1 | 171.7 | -69.7 | 179.7 | 0 | 0 | 0 | 110.3 | V201 V215 L217 V254 E263 Y265 | V201-L285 HydrophobicContact CG2-CD2 4.01Å; V215-L285 HydrophobicContact CG1-CD2 4.07Å; L217-L285 HydrophobicContact CD2-CD2 4.07Å; V254-L285 HydrophobicContact CG1-CD1 4.03Å; V254-L285 HydrophobicContact CG2-CD1 4.21Å; E263-L285 PolarHBondContact O-N 2.85Å; Y265-L285 HydrophobicContact CD2-CD1 3.75Å; Y265-L285 HydrophobicContact CD2-CG 4.04Å; Y265-L285 HydrophobicContact CE2-CD1 3.57Å; Y265-L285 HydrophobicContact CE2-CG 4.32Å |
| 286 | P | 63.2 | Low | 67 | Low | 77 Ų | 77 | 87.7 Ų | 87.7 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 135.8 | 169.3 | -16.1 | 29.4 | 0 | 0 | 0 | 110.2 | ||
| 287 | G | 58.5 | Low | 64.2 | Low | 50 Ų | 50 | 94.3 Ų | 94.3 | 52% | 0.515 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 163.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G289 S290 | G287-G289 PolarHBondContact O-N 2.85Å; G287-G289 VanDerWaalsContact O-N 3.15Å; G287-S290 PolarHBondContact O-N 2.87Å |
| 288 | P | 50.5 | Low | 61.1 | Low | 125 Ų | 125 | 95 Ų | 95 | 81% | 0.812 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | 120.6 | 175.8 | -24.8 | 34.3 | 0 | 0 | 0 | 111.5 | P257 | P257-P288 HydrophobicContact CG-CG 4.38Š|
| 289 | G | 50.8 | Low | 57.9 | Low | 80 Ų | 80 | 98.2 Ų | 98.2 | 83% | 0.825 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.3 | -6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | G287 | G287-G289 PolarHBondContact O-N 2.85Å; G287-G289 VanDerWaalsContact O-N 3.15Å |
| 290 | S | 41 | Very low | 54.8 | Low | 72 Ų | 72 | 97.1 Ų | 97.1 | 50% | 0.503 | 62% | 0.619 | S | S | . | * | trans | -79.3 | 129 | 169.6 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | G287 | G287-S290 PolarHBondContact O-N 2.87Š| ||
| 291 | P | 40.4 | Very low | 51.5 | Low | 104 Ų | 104 | 108.2 Ų | 108.2 | 68% | 0.675 | 66% | 0.659 | S | S | * | * | trans | -59.3 | 140.5 | 168.1 | -22 | 33.6 | 0 | 0 | 0 | 111.5 | D293 | P291-D293 PolarHBondContact O-N 2.65Š| ||
| 292 | L | 42.6 | Very low | 48.3 | Very low | 131 Ų | 131 | 108.8 Ų | 108.8 | 69% | 0.686 | 67% | 0.671 | S | S | * | * | trans | -84.9 | 92.7 | 165.9 | -76.4 | 168 | 0 | 0 | 0 | 108.3 | P294 | L292-P294 VanDerWaalsContact O-CD 3.28Å; L292-P294 WeakPolarHBondContact O-CD 3.31Å | ||
| 293 | D | 31.5 | Very low | 45.1 | Very low | 133 Ų | 133 | 106.1 Ų | 106.1 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | trans | -75.3 | 116.5 | 169.7 | -88.9 | -34.1 | 0 | 0 | 0 | 110.2 | P291 A295 | P291-D293 PolarHBondContact O-N 2.65Å; D293-A295 PolarHBondContact O-N 2.94Å | ||
| 294 | P | 41.1 | Very low | 42.7 | Very low | 136 Ų | 136 | 108.9 Ų | 108.9 | 88% | 0.883 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -79.8 | 40.7 | 178.9 | 35.3 | -36.1 | 0 | 0 | 0 | 112.2 | L292 | L292-P294 VanDerWaalsContact O-CD 3.28Å; L292-P294 WeakPolarHBondContact O-CD 3.31Å |
| 295 | A | 36.4 | Very low | 40.1 | Very low | 88 Ų | 88 | 111 Ų | 111 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -159.4 | 65.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D293 | D293-A295 PolarHBondContact O-N 2.94Š| ||
| 296 | S | 29.8 | Very low | 37.7 | Very low | 99 Ų | 99 | 114.2 Ų | 114.2 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -123.6 | 67.4 | 164.4 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | T298 | S296-T298 PolarHBondContact O-N 3.08Š| ||
| 297 | T | 36.7 | Very low | 36.2 | Very low | 148 Ų | 148 | 116.6 Ų | 116.6 | 91% | 0.908 | 77% | 0.772 | S | S | * | * | trans | -79.6 | 68.3 | 164.5 | -54.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 298 | T | 28.9 | Very low | 34.7 | Very low | 116 Ų | 116 | 117.5 Ų | 117.5 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | -138.8 | 114.7 | 171.7 | 34.6 | 0 | 0 | 0 | 0 | 109.9 | S296 | S296-T298 PolarHBondContact O-N 3.08Š| ||
| 299 | A | 29.6 | Very low | 33.9 | Very low | 98 Ų | 98 | 120 Ų | 120 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 129.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | R301 | A299-R301 PolarHBondContact O-N 3.16Š|
| 300 | P | 31.9 | Very low | 32.9 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 123.9 | 171 | -20.3 | 32.7 | 0 | 0 | 0 | 110.3 | A302 | P300-A302 PolarHBondContact O-N 2.98Š|
| 301 | R | 27.6 | Very low | 32.6 | Very low | 244 Ų | 244 | 126.5 Ų | 126.5 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 128.5 | 173.6 | -159.8 | 173.6 | -171.7 | 165.3 | 0.5 | 108.4 | A299 A303 | A299-R301 PolarHBondContact O-N 3.16Å; R301-A303 PolarHBondContact O-N 2.98Å; R301-A303 VanDerWaalsContact O-N 3.09Å |
| 302 | A | 27.8 | Very low | 32.1 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -59.1 | 114 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P300 A304 | P300-A302 PolarHBondContact O-N 2.98Å; A302-A304 PolarHBondContact O-N 3.1Å | ||
| 303 | A | 26.8 | Very low | 31.3 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -74.5 | 110.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | R301 L305 | R301-A303 PolarHBondContact O-N 2.98Å; R301-A303 VanDerWaalsContact O-N 3.09Å; A303-L305 PolarHBondContact O-N 3.06Å; A303-L305 VanDerWaalsContact O-N 3.16Å | ||
| 304 | A | 38.2 | Very low | 31.3 | Very low | 103 Ų | 103 | 136 Ų | 136 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -77.6 | 99.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A302 | A302-A304 PolarHBondContact O-N 3.1Š| ||
| 305 | L | 30.7 | Very low | 30.6 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | trans | -151 | 88.7 | 164.2 | -103.6 | 161.9 | 0 | 0 | 0 | 109.1 | A303 | A303-L305 PolarHBondContact O-N 3.06Å; A303-L305 VanDerWaalsContact O-N 3.16Å | ||
| 306 | A | 27 | Very low | 30.4 | Very low | 95 Ų | 95 | 148 Ų | 148 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | -114.2 | 112.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 307 | P | 31.6 | Very low | 30.5 | Very low | 126 Ų | 126 | 148.5 Ų | 148.5 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -70 | 124.4 | 154.9 | -10.7 | 27.7 | 0 | 0 | 0 | 108.1 | ||||
| 308 | G | 27.9 | Very low | 30.4 | Very low | 69 Ų | 69 | 147.6 Ų | 147.6 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | trans | -67.7 | 144.6 | -162.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | K310 | G308-K310 VanDerWaalsContact C-N 3.34Å; G308-K310 PolarHBondContact O-N 3.21Å | ||
| 309 | N | 34.6 | Very low | 30.5 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 95% | 0.947 | 84% | 0.836 | S | S | * | * | trans | -64.6 | 87.4 | 165.1 | -77.8 | -29.3 | 0 | 0 | 0 | 111 | ||||
| 310 | K | 29.9 | Very low | 30.4 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 79% | 0.787 | 84% | 0.835 | S | S | * | * | trans | -104.3 | 126.4 | 159.5 | -83 | -178.6 | 176.2 | 174.8 | 0 | 109.1 | G308 | G308-K310 VanDerWaalsContact C-N 3.34Å; G308-K310 PolarHBondContact O-N 3.21Å | ||
| 311 | P | 34.3 | Very low | 30.2 | Very low | 109 Ų | 109 | 154.7 Ų | 154.7 | 71% | 0.708 | 84% | 0.838 | S | S | * | * | trans | -64.1 | 142.3 | 171.5 | 28.1 | -33.3 | 0 | 0 | 0 | 109.7 | F313 | P311-F313 PolarHBondContact O-N 3.13Å; P311-F313 VanDerWaalsContact O-N 3.13Å | ||
| 312 | L | 28.8 | Very low | 30.3 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 90% | 0.895 | 83% | 0.832 | S | S | * | * | trans | -60.7 | 115.4 | 177.1 | -67.1 | 169.2 | 0 | 0 | 0 | 109.7 | F314 | L312-F314 PolarHBondContact O-N 3.46Š| ||
| 313 | F | 26.9 | Very low | 30.4 | Very low | 194 Ų | 194 | 149.2 Ų | 149.2 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 121.2 | 171.2 | -84.1 | -94.6 | 0 | 0 | 0 | 109.3 | P311 R315 | P311-F313 PolarHBondContact O-N 3.13Å; P311-F313 VanDerWaalsContact O-N 3.13Å; F313-R315 PolarHBondContact O-N 3.33Å |
| 314 | F | 30.1 | Very low | 30.8 | Very low | 201 Ų | 201 | 150.2 Ų | 150.2 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.8 | 166 | -90.7 | -98.2 | 0 | 0 | 0 | 109.8 | L312 R316 | L312-F314 PolarHBondContact O-N 3.46Å; F314-R316 PolarHBondContact O-N 3.21Å |
| 315 | R | 28.1 | Very low | 30.3 | Very low | 245 Ų | 245 | 150.2 Ų | 150.2 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 123.8 | 173.2 | -82.8 | -178.8 | 165.3 | -169.5 | -4 | 110 | F313 | F313-R315 PolarHBondContact O-N 3.33Š|
| 316 | R | 32.1 | Very low | 30.1 | Very low | 231 Ų | 231 | 148.6 Ų | 148.6 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78 | 140.5 | 156.6 | -71.3 | -178.1 | 176.1 | 176.7 | -1.3 | 108.7 | F314 | F314-R316 PolarHBondContact O-N 3.21Š|
| 317 | P | 31.9 | Very low | 30.1 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 157.6 | 168.9 | 29.8 | -33.7 | 0 | 0 | 0 | 110.8 | ||
| 318 | P | 33.3 | Very low | 30.1 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 139.5 | -170.8 | 28.6 | -35 | 0 | 0 | 0 | 112.8 | ||
| 319 | V | 31.8 | Very low | 30 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 132 | 169.1 | 175.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 320 | S | 27 | Very low | 30.7 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 147.5 | 177.7 | -167.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 321 | R | 28.2 | Very low | 30.5 | Very low | 237 Ų | 237 | 145.6 Ų | 145.6 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 116 | -173.3 | -172.5 | -172.9 | -163.7 | -179.9 | 4.9 | 109.5 | ||
| 322 | S | 28.8 | Very low | 30.1 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -142.1 | 125.5 | 163.2 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 323 | V | 31.4 | Very low | 30.1 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 70% | 0.697 | 80% | 0.804 | S | S | * | * | trans | -140.6 | 134.7 | 174.5 | 179.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 324 | P | 34.2 | Very low | 30.1 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | -127 | 137.5 | 114.5 | 16.5 | 1.5 | 0 | 0 | 0 | 109.9 | |||||
| 325 | S | 27.8 | Very low | 29.9 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | cis | 74.5 | 67 | 48.5 | -58.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 326 | V | 27.3 | Very low | 29.8 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -154.2 | 142.7 | 155.1 | 180 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 327 | T | 26.4 | Very low | 29.6 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | cis | -159 | 144.4 | -36.5 | -82.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 328 | S | 30.4 | Very low | 29.4 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -103.1 | 133.1 | 177.9 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 329 | V | 27.1 | Very low | 29.2 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -140.7 | 133.3 | 161 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 330 | P | 49.4 | Very low | 29.5 | Very low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -113.3 | 149.6 | 177 | 38.9 | -30.2 | 0 | 0 | 0 | 114.5 | ||||
| 331 | S | 24.5 | Very low | 29.7 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -178.7 | 125.6 | 158 | 38.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 332 | T | 27 | Very low | 29.6 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | 80.4 | 128.8 | 55.7 | 61 | 0 | 0 | 0 | 0 | 116 | |||||
| 333 | T | 27.7 | Very low | 29.7 | Very low | 140 Ų | 140 | 121.9 Ų | 121.9 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | 67.6 | 151.1 | 166.4 | 23.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 334 | S | 27 | Very low | 29.8 | Very low | 88 Ų | 88 | 121 Ų | 121 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | cis | -163.7 | 154.2 | 1 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 335 | T | 27.1 | Very low | 30 | Very low | 140 Ų | 140 | 120.8 Ų | 120.8 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | 53.2 | 154.9 | 154 | 40.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 336 | G | 25.1 | Very low | 30.4 | Very low | 59 Ų | 59 | 122.6 Ų | 122.6 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | cis | 159.6 | 170.3 | 1.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 337 | L | 27.9 | Very low | 30.6 | Very low | 156 Ų | 156 | 120.9 Ų | 120.9 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | 72.2 | 147 | 174.3 | -50.9 | 170.9 | 0 | 0 | 0 | 116.5 | ||||
| 338 | Q | 27 | Very low | 31.1 | Very low | 171 Ų | 171 | 118.3 Ų | 118.3 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | cis | -163.2 | 168.2 | -31.2 | -124.5 | 170.1 | 11.3 | 0 | 0 | 109.1 | ||||
| 339 | F | 30.4 | Very low | 31.7 | Very low | 193 Ų | 193 | 119.1 Ų | 119.1 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -69.6 | 172.8 | 173.9 | -72.3 | -95.1 | 0 | 0 | 0 | 112.5 | ||||
| 340 | P | 37.5 | Very low | 32.4 | Very low | 133 Ų | 133 | 118.9 Ų | 118.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | -129.9 | 164.5 | 93.8 | 37.5 | -30.5 | 0 | 0 | 0 | 114.2 | |||||
| 341 | A | 30.5 | Very low | 31.6 | Very low | 87 Ų | 87 | 118 Ų | 118 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -124.6 | 147.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 342 | S | 27.8 | Very low | 31.9 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | 180 | 146.4 | 152.7 | 50.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 343 | G | 29.7 | Very low | 32 | Very low | 76 Ų | 76 | 118.1 Ų | 118.1 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | cis | -165.2 | 158 | -11.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 344 | A | 33.4 | Very low | 32.4 | Very low | 97 Ų | 97 | 120.3 Ų | 120.3 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -78.9 | 158.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 345 | P | 39.7 | Very low | 32.8 | Very low | 118 Ų | 118 | 122 Ų | 122 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | -143.8 | 143.5 | 91.5 | 36.1 | -20.2 | 0 | 0 | 0 | 116.9 | |||||
| 346 | T | 34.8 | Very low | 32.9 | Very low | 140 Ų | 140 | 121.5 Ų | 121.5 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | 13.6 | 114.4 | 139.4 | -33.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 347 | A | 32.9 | Very low | 33.3 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -158.3 | 146.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 348 | G | 35.4 | Very low | 33.5 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 173.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 349 | P | 43.4 | Very low | 33.7 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 137.6 | -177.9 | 31.8 | -34.1 | 0 | 0 | 0 | 112.1 | ||
| 350 | P | 41.9 | Very low | 33.7 | Very low | 127 Ų | 127 | 126 Ų | 126 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 141.1 | 171.4 | 31.1 | -32.8 | 0 | 0 | 0 | 111.4 | ||
| 351 | A | 33.7 | Very low | 33.5 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 164.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 352 | C | 30.2 | Very low | 33.6 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 91% | 0.905 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 134.2 | -178.3 | -55 | 0 | 0 | 0 | 0 | 113.2 | ||
| 353 | A | 29.6 | Very low | 33.9 | Very low | 96 Ų | 96 | 123.1 Ų | 123.1 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -86 | 139.8 | 165 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 354 | Q | 35.7 | Very low | 34.2 | Very low | 187 Ų | 187 | 124.1 Ų | 124.1 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71 | 147 | 171.1 | -76.3 | -176.5 | -106.3 | 0 | 0 | 111.7 | ||
| 355 | P | 35.8 | Very low | 34.9 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 79% | 0.792 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -80 | 137.9 | 159.7 | 6.6 | 10.4 | 0 | 0 | 0 | 111.3 | ||
| 356 | T | 29.3 | Very low | 35.1 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 157.4 | 163.9 | 36.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 357 | P | 31.8 | Very low | 36.1 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 132.8 | -171.2 | -6.8 | 24.7 | 0 | 0 | 0 | 112.1 | ||
| 358 | L | 32.2 | Very low | 37.6 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 128.4 | 161.9 | -97.6 | 153 | 0 | 0 | 0 | 109.2 | Q360 | L358-Q360 PolarHBondContact O-N 3.12Š|
| 359 | E | 31.1 | Very low | 39.2 | Very low | 196 Ų | 196 | 130.4 Ų | 130.4 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 121.1 | 173.1 | -71.5 | -179.9 | 106.7 | 0 | 0 | 110.8 | ||
| 360 | Q | 31.2 | Very low | 40.4 | Very low | 181 Ų | 181 | 130 Ų | 130 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -103.2 | 112.2 | 166.5 | -74.3 | -175.4 | -11.6 | 0 | 0 | 109.3 | L358 A362 | L358-Q360 PolarHBondContact O-N 3.12Å; Q360-A362 VanDerWaalsContact C-N 3.3Å; Q360-A362 PolarHBondContact O-N 2.72Å | ||
| 361 | S | 33.9 | Very low | 41.9 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -65.4 | 90.2 | 165.9 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | G363 | S361-G363 PolarHBondContact O-N 2.7Å; S361-G363 VanDerWaalsContact O-N 3.1Å | ||
| 362 | A | 31.3 | Very low | 43.5 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -79.8 | 85.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q360 A364 | Q360-A362 VanDerWaalsContact C-N 3.3Å; Q360-A362 PolarHBondContact O-N 2.72Å; A362-A364 PolarHBondContact O-N 3.41Å | ||
| 363 | G | 35.4 | Very low | 45.6 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -63.7 | 97.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S361 L365 | S361-G363 PolarHBondContact O-N 2.7Å; S361-G363 VanDerWaalsContact O-N 3.1Å; G363-L365 PolarHBondContact O-N 3.04Å | ||
| 364 | A | 35.2 | Very low | 47.9 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | trans | -76.1 | 85.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A362 K366 | A362-A364 PolarHBondContact O-N 3.41Å; A364-K366 PolarHBondContact O-N 3.03Å; A364-K366 VanDerWaalsContact O-N 3.16Å | ||
| 365 | L | 47.3 | Very low | 50.1 | Low | 177 Ų | 177 | 127 Ų | 127 | 93% | 0.927 | 72% | 0.717 | S | S | * | * | trans | -79.9 | 83.7 | 161.3 | -87.3 | 156.5 | 0 | 0 | 0 | 109.8 | G363 | G363-L365 PolarHBondContact O-N 3.04Š| ||
| 366 | K | 45.8 | Very low | 51.9 | Low | 189 Ų | 189 | 127.4 Ų | 127.4 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | trans | -90.9 | 120.8 | 170.3 | -155.8 | 174.8 | -171.5 | -179.6 | 0 | 108 | A364 D368 | A364-K366 PolarHBondContact O-N 3.03Å; A364-K366 VanDerWaalsContact O-N 3.16Å; K366-D368 PolarHBondContact O-N 3.4Å | ||
| 367 | P | 55.3 | Low | 54.4 | Low | 95 Ų | 95 | 127.1 Ų | 127.1 | 62% | 0.617 | 70% | 0.699 | S | S | * | * | trans | -66.9 | 128.9 | 177.3 | 27.5 | -32.7 | 0 | 0 | 0 | 109.1 | V369 | P367-V369 PolarHBondContact O-N 3.15Å; P367-V369 VanDerWaalsContact O-N 3.08Å | ||
| 368 | D | 64.1 | Low | 57 | Low | 91 Ų | 91 | 126.5 Ų | 126.5 | 49% | 0.487 | 69% | 0.688 | S | S | . | * | trans | -71.8 | 103.1 | 178.3 | -173.3 | -4.6 | 0 | 0 | 0 | 109.6 | K366 D370 L371 L372 | K366-D368 PolarHBondContact O-N 3.4Å; D368-D370 PolarHBondContact O-N 3.38Å; D368-D370 WeakPolarHBondContact OD1-CB 3.47Å; D368-D370 PolarHBondContact OD1-N 3.23Å; D368-L371 HydrophobicContact CB-CB 3.87Å; D368-L371 PolarHBondContact O-N 3.06Å; D368-L371 PolarHBondContact OD1-N 3.02Å; D368-L372 PolarHBondContact O-N 3.49Å | ||
| 369 | V | 70 | Confident | 59.3 | Low | 105 Ų | 105 | 123.9 Ų | 123.9 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.6 | -29.2 | -178.8 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | P367 L373 | P367-V369 PolarHBondContact O-N 3.15Å; P367-V369 VanDerWaalsContact O-N 3.08Å; V369-L373 VanDerWaalsContact O-CB 3.32Å; V369-L373 WeakPolarHBondContact O-CB 3.35Å; V369-L373 PolarHBondContact O-N 3.44Å |
| 370 | D | 66.9 | Low | 61.6 | Low | 119 Ų | 119 | 122.3 Ų | 122.3 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.9 | -33.3 | 178.7 | -64.7 | -45.1 | 0 | 0 | 0 | 111.2 | D368 R374 | D368-D370 PolarHBondContact O-N 3.38Å; D368-D370 WeakPolarHBondContact OD1-CB 3.47Å; D368-D370 PolarHBondContact OD1-N 3.23Å; D370-R374 WeakPolarHBondContact O-CB 3.32Å; D370-R374 PolarHBondContact O-N 3.37Å |
| 371 | L | 74.6 | Confident | 64.1 | Low | 98 Ų | 98 | 115.5 Ų | 115.5 | 51% | 0.513 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64 | -49.4 | 171.3 | -174.2 | 66.3 | 0 | 0 | 0 | 111.4 | D368 L373 R374 E375 | D368-L371 HydrophobicContact CB-CB 3.87Å; D368-L371 PolarHBondContact O-N 3.06Å; D368-L371 PolarHBondContact OD1-N 3.02Å; L371-L373 PolarHBondContact O-N 2.99Å; L371-R374 WeakPolarHBondContact O-CB 3.33Å; L371-R374 PolarHBondContact O-N 2.97Å; L371-R374 VanDerWaalsContact O-N 3.15Å; L371-E375 PolarHBondContact O-N 3.32Å |
| 372 | L | 67.4 | Low | 66.4 | Low | 96 Ų | 96 | 114 Ų | 114 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -60.2 | -42.3 | 176.1 | -90.3 | 163.9 | 0 | 0 | 0 | 112.4 | D368 R374 E375 M376 | D368-L372 PolarHBondContact O-N 3.49Å; L372-R374 VanDerWaalsContact C-N 3.27Å; L372-R374 PolarHBondContact O-N 3.38Å; L372-E375 PolarHBondContact O-N 3.36Å; L372-M376 WeakPolarHBondContact O-CG 3.41Å; L372-M376 PolarHBondContact O-N 2.93Å |
| 373 | L | 72.8 | Confident | 68.3 | Low | 91 Ų | 91 | 115.1 Ų | 115.1 | 48% | 0.476 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.3 | -37.5 | 176.8 | -176.6 | 62.1 | 0 | 0 | 0 | 111.4 | V369 L371 M376 Q377 | V369-L373 VanDerWaalsContact O-CB 3.32Å; V369-L373 WeakPolarHBondContact O-CB 3.35Å; V369-L373 PolarHBondContact O-N 3.44Å; L371-L373 PolarHBondContact O-N 2.99Å; L373-M376 PolarHBondContact O-N 3.39Å; L373-Q377 WeakPolarHBondContact O-CG 3.37Å; L373-Q377 PolarHBondContact O-N 3.18Å |
| 374 | R | 79 | Confident | 70.1 | Confident | 186 Ų | 186 | 115 Ų | 115 | 70% | 0.702 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.5 | -41.5 | 178 | -160.3 | 168.6 | -168.2 | 165.8 | 2.7 | 112.5 | D370 L371 L372 Q377 L378 | D370-R374 WeakPolarHBondContact O-CB 3.32Å; D370-R374 PolarHBondContact O-N 3.37Å; L371-R374 WeakPolarHBondContact O-CB 3.33Å; L371-R374 PolarHBondContact O-N 2.97Å; L371-R374 VanDerWaalsContact O-N 3.15Å; L372-R374 VanDerWaalsContact C-N 3.27Å; L372-R374 PolarHBondContact O-N 3.38Å; R374-Q377 PolarHBondContact O-N 3.1Å; R374-L378 PolarHBondContact O-N 3.37Å; R374-L378 VanDerWaalsContact O-N 3.1Å |
| 375 | E | 81.4 | Confident | 71.9 | Confident | 111 Ų | 111 | 119.1 Ų | 119.1 | 52% | 0.519 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62 | -43.7 | 172.6 | -71 | -175.3 | 165.3 | 0 | 0 | 111.9 | L371 L372 Q377 L378 L379 | L371-E375 PolarHBondContact O-N 3.32Å; L372-E375 PolarHBondContact O-N 3.36Å; E375-Q377 VanDerWaalsContact C-N 3.34Å; E375-Q377 PolarHBondContact O-N 3.2Å; E375-L378 WeakPolarHBondContact O-CB 3.46Å; E375-L378 PolarHBondContact O-N 3.42Å; E375-L379 PolarHBondContact O-N 3.02Å |
| 376 | M | 74.3 | Confident | 73.1 | Confident | 129 Ų | 129 | 114.3 Ų | 114.3 | 64% | 0.635 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.6 | -37.4 | 176.7 | -73.9 | -170.9 | 73 | 0 | 0 | 113 | L372 L373 K380 | L372-M376 WeakPolarHBondContact O-CG 3.41Å; L372-M376 PolarHBondContact O-N 2.93Å; L373-M376 PolarHBondContact O-N 3.39Å; M376-K380 WeakPolarHBondContact O-CB 3.42Å; M376-K380 PolarHBondContact O-N 2.69Å |
| 377 | Q | 81.9 | Confident | 74.4 | Confident | 125 Ų | 125 | 109.5 Ų | 109.5 | 58% | 0.584 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.3 | -39.7 | 174.5 | -73.7 | 175.7 | 10.2 | 0 | 0 | 111.9 | L373 R374 E375 K380 G381 | L373-Q377 WeakPolarHBondContact O-CG 3.37Å; L373-Q377 PolarHBondContact O-N 3.18Å; R374-Q377 PolarHBondContact O-N 3.1Å; E375-Q377 VanDerWaalsContact C-N 3.34Å; E375-Q377 PolarHBondContact O-N 3.2Å; Q377-K380 PolarHBondContact O-N 3.42Å; Q377-G381 PolarHBondContact O-N 2.94Å |
| 378 | L | 86.3 | Confident | 74.9 | Confident | 116 Ų | 116 | 110.2 Ų | 110.2 | 61% | 0.607 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.4 | -47.4 | 176.4 | -124.8 | 160.7 | 0 | 0 | 0 | 111.5 | R374 E375 K380 G381 I382 | R374-L378 PolarHBondContact O-N 3.37Å; R374-L378 VanDerWaalsContact O-N 3.1Å; E375-L378 WeakPolarHBondContact O-CB 3.46Å; E375-L378 PolarHBondContact O-N 3.42Å; L378-K380 VanDerWaalsContact C-N 3.34Å; L378-K380 PolarHBondContact O-N 3.35Å; L378-G381 PolarHBondContact O-N 3.02Å; L378-I382 HydrophobicContact CD2-CD1 4.15Å; L378-I382 WeakPolarHBondContact O-CG1 3.45Å; L378-I382 PolarHBondContact O-N 3.19Å |
| 379 | L | 79.3 | Confident | 74.6 | Confident | 112 Ų | 112 | 112.4 Ų | 112.4 | 59% | 0.586 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -58 | -43.1 | 173.8 | -100.4 | 162.1 | 0 | 0 | 0 | 112.3 | E375 G381 I382 L383 | E375-L379 PolarHBondContact O-N 3.02Å; L379-G381 VanDerWaalsContact C-N 3.34Å; L379-G381 PolarHBondContact O-N 3.01Å; L379-I382 PolarHBondContact O-N 3.46Å; L379-L383 WeakPolarHBondContact O-CB 3.44Å; L379-L383 PolarHBondContact O-N 3.23Å |
| 380 | K | 79.5 | Confident | 73.9 | Confident | 163 Ų | 163 | 114.3 Ų | 114.3 | 71% | 0.709 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.6 | -39.3 | 176.8 | -170.3 | 179.5 | -179.3 | -176.9 | 0 | 112.2 | M376 Q377 L378 S384 | M376-K380 WeakPolarHBondContact O-CB 3.42Å; M376-K380 PolarHBondContact O-N 2.69Å; Q377-K380 PolarHBondContact O-N 3.42Å; L378-K380 VanDerWaalsContact C-N 3.34Å; L378-K380 PolarHBondContact O-N 3.35Å; K380-S384 PolarHBondContact O-N 3.41Å |
| 381 | G | 83.9 | Confident | 73.2 | Confident | 37 Ų | 37 | 116.4 Ų | 116.4 | 38% | 0.381 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.6 | -49.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q377 L378 L379 L383 S384 R385 | Q377-G381 PolarHBondContact O-N 2.94Å; L378-G381 PolarHBondContact O-N 3.02Å; L379-G381 VanDerWaalsContact C-N 3.34Å; L379-G381 PolarHBondContact O-N 3.01Å; G381-L383 VanDerWaalsContact C-N 3.34Å; G381-L383 PolarHBondContact O-N 2.92Å; G381-S384 PolarHBondContact O-N 3.39Å; G381-S384 PolarHBondContact O-OG 2.9Å; G381-R385 PolarHBondContact O-N 3.27Å; G381-R385 VanDerWaalsContact O-N 3.13Å |
| 382 | I | 82.1 | Confident | 71.9 | Confident | 97 Ų | 97 | 119 Ų | 119 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -58.5 | -46.5 | 176.8 | -64.1 | 164.1 | 0 | 0 | 0 | 110.7 | L378 L379 S384 R385 V386 | L378-I382 HydrophobicContact CD2-CD1 4.15Å; L378-I382 WeakPolarHBondContact O-CG1 3.45Å; L378-I382 PolarHBondContact O-N 3.19Å; L379-I382 PolarHBondContact O-N 3.46Å; I382-S384 VanDerWaalsContact C-N 3.34Å; I382-S384 PolarHBondContact O-N 2.99Å; I382-R385 PolarHBondContact O-N 3.48Å; I382-R385 VanDerWaalsContact O-N 3.12Å; I382-V386 PolarHBondContact O-N 3.4Å |
| 383 | L | 71.7 | Confident | 70.6 | Confident | 115 Ų | 115 | 120.5 Ų | 120.5 | 60% | 0.602 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.2 | -41.1 | 179.1 | -142.4 | 83.9 | 0 | 0 | 0 | 112 | L379 G381 R385 V386 V387 | L379-L383 WeakPolarHBondContact O-CB 3.44Å; L379-L383 PolarHBondContact O-N 3.23Å; G381-L383 VanDerWaalsContact C-N 3.34Å; G381-L383 PolarHBondContact O-N 2.92Å; L383-R385 VanDerWaalsContact C-N 3.28Å; L383-R385 PolarHBondContact O-N 3.42Å; L383-V386 PolarHBondContact O-N 3.36Å; L383-V387 WeakPolarHBondContact O-CB 3.45Å; L383-V387 VanDerWaalsContact O-CG2 3.26Å; L383-V387 WeakPolarHBondContact O-CG2 3.41Å; L383-V387 PolarHBondContact O-N 2.96Å |
| 384 | S | 73.8 | Confident | 69.1 | Low | 65 Ų | 65 | 124.8 Ų | 124.8 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.6 | -34.4 | 176 | 71 | 0 | 0 | 0 | 0 | 112.8 | K380 G381 I382 L388 | K380-S384 PolarHBondContact O-N 3.41Å; G381-S384 PolarHBondContact O-N 3.39Å; G381-S384 PolarHBondContact O-OG 2.9Å; I382-S384 VanDerWaalsContact C-N 3.34Å; I382-S384 PolarHBondContact O-N 2.99Å; S384-L388 WeakPolarHBondContact O-CG 3.44Å; S384-L388 PolarHBondContact O-N 3.12Å; S384-L388 VanDerWaalsContact O-N 3.12Å |
| 385 | R | 72.9 | Confident | 67 | Low | 184 Ų | 184 | 120.3 Ų | 120.3 | 69% | 0.694 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.6 | -46.7 | 177.9 | -147.7 | 176.4 | -156.5 | -174.7 | 5.8 | 111.1 | G381 I382 L383 V387 L388 E389 | G381-R385 PolarHBondContact O-N 3.27Å; G381-R385 VanDerWaalsContact O-N 3.13Å; I382-R385 PolarHBondContact O-N 3.48Å; I382-R385 VanDerWaalsContact O-N 3.12Å; L383-R385 VanDerWaalsContact C-N 3.28Å; L383-R385 PolarHBondContact O-N 3.42Å; R385-V387 VanDerWaalsContact C-N 3.28Å; R385-V387 PolarHBondContact O-N 3.05Å; R385-L388 PolarHBondContact O-N 3.48Å; R385-L388 VanDerWaalsContact O-N 3.07Å; R385-E389 WeakPolarHBondContact O-CG 3.26Å; R385-E389 PolarHBondContact O-N 3.12Å |
| 386 | V | 72.8 | Confident | 64.7 | Low | 76 Ų | 76 | 123 Ų | 123 | 46% | 0.461 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -60.7 | -37.2 | 175 | 176.3 | 0 | 0 | 0 | 0 | 111.8 | I382 L383 L388 L390 | I382-V386 PolarHBondContact O-N 3.4Å; L383-V386 PolarHBondContact O-N 3.36Å; V386-L388 VanDerWaalsContact C-N 3.32Å; V386-L388 PolarHBondContact O-N 3.07Å; V386-L390 HydrophobicContact CG1-CD1 3.95Å; V386-L390 WeakPolarHBondContact O-CB 3.43Å; V386-L390 WeakPolarHBondContact O-CG 3.36Å; V386-L390 PolarHBondContact O-N 3.13Å |
| 387 | V | 72.1 | Confident | 62.8 | Low | 88 Ų | 88 | 122.1 Ų | 122.1 | 53% | 0.533 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.4 | -27.2 | 175.9 | 168.7 | 0 | 0 | 0 | 0 | 112.7 | L383 R385 K391 | L383-V387 WeakPolarHBondContact O-CB 3.45Å; L383-V387 VanDerWaalsContact O-CG2 3.26Å; L383-V387 WeakPolarHBondContact O-CG2 3.41Å; L383-V387 PolarHBondContact O-N 2.96Å; R385-V387 VanDerWaalsContact C-N 3.28Å; R385-V387 PolarHBondContact O-N 3.05Å; V387-K391 WeakPolarHBondContact O-CB 3.32Å |
| 388 | L | 65.4 | Low | 60.5 | Low | 110 Ų | 110 | 125.1 Ų | 125.1 | 58% | 0.576 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -77.2 | -45.8 | 172.5 | -72.4 | 167.5 | 0 | 0 | 0 | 111.5 | S384 R385 V386 L390 K391 E392 | S384-L388 WeakPolarHBondContact O-CG 3.44Å; S384-L388 PolarHBondContact O-N 3.12Å; S384-L388 VanDerWaalsContact O-N 3.12Å; R385-L388 PolarHBondContact O-N 3.48Å; R385-L388 VanDerWaalsContact O-N 3.07Å; V386-L388 VanDerWaalsContact C-N 3.32Å; V386-L388 PolarHBondContact O-N 3.07Å; L388-L390 PolarHBondContact O-N 3.36Å; L388-K391 WeakPolarHBondContact O-CB 3.39Å; L388-K391 PolarHBondContact O-N 3.01Å; L388-E392 PolarHBondContact O-N 2.96Å |
| 389 | E | 58 | Low | 57.9 | Low | 137 Ų | 137 | 127.8 Ų | 127.8 | 64% | 0.64 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -58.9 | -33 | 175 | -63.5 | -72.5 | 163 | 0 | 0 | 112.4 | R385 K391 | R385-E389 WeakPolarHBondContact O-CG 3.26Å; R385-E389 PolarHBondContact O-N 3.12Å; E389-K391 VanDerWaalsContact C-N 3.29Å; E389-K391 PolarHBondContact O-N 3.48Å |
| 390 | L | 56.3 | Low | 55.7 | Low | 146 Ų | 146 | 134.1 Ų | 134.1 | 76% | 0.764 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -6.2 | 174.1 | -74.2 | 170.1 | 0 | 0 | 0 | 114.4 | V386 L388 | V386-L390 HydrophobicContact CG1-CD1 3.95Å; V386-L390 WeakPolarHBondContact O-CB 3.43Å; V386-L390 WeakPolarHBondContact O-CG 3.36Å; V386-L390 PolarHBondContact O-N 3.13Å; L388-L390 PolarHBondContact O-N 3.36Å |
| 391 | K | 52.6 | Low | 53.3 | Low | 162 Ų | 162 | 129.5 Ų | 129.5 | 70% | 0.704 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -14.7 | -175.8 | -168 | 165.4 | -178.8 | -179.2 | 0 | 113.7 | V387 L388 E389 P393 | V387-K391 WeakPolarHBondContact O-CB 3.32Å; L388-K391 WeakPolarHBondContact O-CB 3.39Å; L388-K391 PolarHBondContact O-N 3.01Å; E389-K391 VanDerWaalsContact C-N 3.29Å; E389-K391 PolarHBondContact O-N 3.48Å; K391-P393 WeakPolarHBondContact O-CD 3.36Å |
| 392 | E | 45.7 | Very low | 50.8 | Low | 154 Ų | 154 | 134.4 Ų | 134.4 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -111.9 | 97 | 176.1 | -72.3 | 179.1 | 148 | 0 | 0 | 110.3 | L388 Q394 | L388-E392 PolarHBondContact O-N 2.96Å; E392-Q394 PolarHBondContact O-N 3.09Å; E392-Q394 VanDerWaalsContact O-N 3.09Å |
| 393 | P | 41 | Very low | 48.6 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -68.5 | 109.2 | 173.4 | 28.2 | -32.2 | 0 | 0 | 0 | 109.1 | K391 A395 | K391-P393 WeakPolarHBondContact O-CD 3.36Å; P393-A395 PolarHBondContact O-N 3.21Å | ||
| 394 | Q | 40.8 | Very low | 46.6 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 123.6 | 175.2 | -70.6 | -160.7 | -1.4 | 0 | 0 | 110.4 | E392 | E392-Q394 PolarHBondContact O-N 3.09Å; E392-Q394 VanDerWaalsContact O-N 3.09Å |
| 395 | A | 35.1 | Very low | 44.5 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 130.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | P393 P397 | P393-A395 PolarHBondContact O-N 3.21Å; A395-P397 WeakPolarHBondContact O-CD 3.43Å |
| 396 | L | 33.2 | Very low | 42.6 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -60 | 128.5 | 170.2 | -87 | 120.3 | 0 | 0 | 0 | 110.6 | ||
| 397 | P | 34.2 | Very low | 40.4 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 130.5 | 160.9 | -10.4 | 27.6 | 0 | 0 | 0 | 109.7 | A395 L399 | A395-P397 WeakPolarHBondContact O-CD 3.43Å; P397-L399 PolarHBondContact O-N 3.32Å |
| 398 | E | 33.9 | Very low | 38.4 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 123.2 | 168.1 | -69.7 | -166.8 | 150.2 | 0 | 0 | 110.3 | ||
| 399 | L | 31.9 | Very low | 36.7 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -101.5 | 93.9 | 168.3 | -144.7 | 79.9 | 0 | 0 | 0 | 110.2 | P397 G401 | P397-L399 PolarHBondContact O-N 3.32Å; L399-G401 PolarHBondContact O-N 3.22Å | ||
| 400 | R | 33.4 | Very low | 35.3 | Very low | 246 Ų | 246 | 147 Ų | 147 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | -68.3 | 108.3 | 168.7 | 176.4 | -175.4 | -77.4 | -152.3 | -3.5 | 109.1 | ||||
| 401 | G | 29.6 | Very low | 34 | Very low | 66 Ų | 66 | 143.9 Ų | 143.9 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | -152.1 | 109.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L399 | L399-G401 PolarHBondContact O-N 3.22Š| ||
| 402 | T | 31.1 | Very low | 32.9 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 133.4 | 174.1 | 35.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 403 | P | 36.2 | Very low | 32 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 126.8 | 169.6 | 33.3 | -29.5 | 0 | 0 | 0 | 111.1 | ||
| 404 | E | 29.9 | Very low | 31.6 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 140.3 | 160.9 | -69.8 | -157.6 | 155.5 | 0 | 0 | 110.7 | ||
| 405 | T | 29 | Very low | 31 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 153.8 | 172.3 | 34.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 406 | P | 31.7 | Very low | 30.8 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | -128.6 | 157.2 | 120.4 | 35.3 | -28.4 | 0 | 0 | 0 | 114.6 | |||||
| 407 | T | 27.6 | Very low | 31.5 | Very low | 120 Ų | 120 | 138 Ų | 138 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -89.3 | 142.6 | -165.2 | -30 | 0 | 0 | 0 | 0 | 114 | ||||
| 408 | S | 29.3 | Very low | 31.3 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -164.5 | 105.5 | 149.5 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 409 | H | 30.5 | Very low | 31.2 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | 50.3 | 121.5 | 86.5 | -69.4 | -74.6 | 0 | 0 | 0 | 112.3 | |||||
| 410 | F | 28.3 | Very low | 31.2 | Very low | 198 Ų | 198 | 136.5 Ų | 136.5 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | cis | -147.4 | 177.9 | 19.5 | -115.5 | -80 | 0 | 0 | 0 | 112.7 | ||||
| 411 | A | 29.1 | Very low | 32 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | trans | -107.5 | 152.8 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 412 | V | 28.5 | Very low | 32.2 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | 60 | 121.4 | 142.4 | 173.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 413 | S | 28.1 | Very low | 32.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | -160 | 154.3 | 109.5 | -153.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 414 | L | 32.8 | Very low | 32.8 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -84.4 | 146.6 | 174.5 | -132.4 | 77.4 | 0 | 0 | 0 | 110 | ||||
| 415 | G | 27.1 | Very low | 32.9 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | -175.8 | 86.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 416 | T | 30.9 | Very low | 33.1 | Very low | 137 Ų | 137 | 135 Ų | 135 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -112.7 | 165.7 | 159.1 | 44.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 417 | P | 49.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | cis | -127.7 | 174.5 | -23.7 | 37.2 | -22.7 | 0 | 0 | 0 | 111.8 | ||||
| 418 | E | 28.8 | Very low | 33.5 | Very low | 194 Ų | 194 | 136.2 Ų | 136.2 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | -161.4 | 174.7 | 142.6 | -123.2 | 171.3 | -167.1 | 0 | 0 | 113.6 | ||||
| 419 | T | 33.2 | Very low | 33.8 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | trans | -133.9 | 141.5 | -148.6 | -14.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 420 | T | 31.2 | Very low | 34 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | trans | 66 | 172.1 | 161.3 | 73.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 421 | P | 49.6 | Very low | 34.4 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 68% | 0.682 | 83% | 0.832 | S | S | * | * | cis | -132.6 | -179.5 | -6.5 | 34 | -13.9 | 0 | 0 | 0 | 115.5 | ||||
| 422 | V | 33.1 | Very low | 34.8 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 79% | 0.788 | 85% | 0.845 | S | S | * | * | trans | 68.3 | 147.2 | 143.7 | 151.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 423 | E | 36.5 | Very low | 35.4 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 76% | 0.762 | 84% | 0.844 | S | S | * | * | cis | -175 | 143.8 | -17.1 | 177.6 | 175.1 | 179.3 | 0 | 0 | 107.9 | ||||
| 424 | S | 43.7 | Very low | 36 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 100% | 1.378 | 85% | 0.846 | S | S | * | * | trans | -178.7 | 0 | 154.2 | -77 | 0 | 0 | 0 | 0 | 110 |
Retrieved 424 of 424 residues in 144.6 ms
(Link to these results)