| 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 | 43.3 | Very low | 43.2 | Very low | 249 Ų | 249 | 177.7 Ų | 177.7 | 100% | 1.227 | 88% | 0.879 | S | S | * | * | 0 | 106.5 | 0 | -81.2 | 160.6 | 129.9 | 0 | 0 | 109 | |||||
| 2 | S | 37.9 | Very low | 43.7 | Very low | 116 Ų | 116 | 172.5 Ų | 172.5 | 81% | 0.811 | 87% | 0.868 | S | S | * | * | trans | 175 | 114.4 | 135.3 | -165.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | L | 42.1 | Very low | 44.3 | Very low | 165 Ų | 165 | 165.7 Ų | 165.7 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | trans | -85.1 | 134.7 | 175 | -82.5 | 139.6 | 0 | 0 | 0 | 108.3 | ||||
| 4 | N | 37.8 | Very low | 45.1 | Very low | 166 Ų | 166 | 159.5 Ų | 159.5 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | trans | -130.6 | 108.7 | 159.7 | -88.5 | -25.4 | 0 | 0 | 0 | 110.2 | ||||
| 5 | R | 42.3 | Very low | 45.6 | Very low | 238 Ų | 238 | 158.1 Ų | 158.1 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | trans | -99.1 | 111.9 | 178.3 | -170.2 | -178.4 | -144.6 | 177.6 | 5.9 | 107.6 | S7 | R5-S7 PolarHBondContact O-N 3.49Š| ||
| 6 | A | 41.9 | Very low | 46 | Very low | 103 Ų | 103 | 155.7 Ų | 155.7 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -79.2 | 116.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 7 | S | 43.2 | Very low | 46.3 | Very low | 95 Ų | 95 | 153.9 Ų | 153.9 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | trans | -91.6 | 110.5 | 173.2 | 45.3 | 0 | 0 | 0 | 0 | 109.6 | R5 W9 | R5-S7 PolarHBondContact O-N 3.49Å; S7-W9 PolarHBondContact O-N 3.39Å | ||
| 8 | S | 42.7 | Very low | 46.4 | Very low | 111 Ų | 111 | 157.2 Ų | 157.2 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -81.8 | 108.3 | 170.5 | 70.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 9 | W | 41.8 | Very low | 46.8 | Very low | 239 Ų | 239 | 153.3 Ų | 153.3 | 91% | 0.905 | 79% | 0.786 | S | S | * | * | trans | -85.7 | 105.8 | 167.7 | -81.1 | 49.3 | 0 | 0 | 0 | 109 | S7 R11 | S7-W9 PolarHBondContact O-N 3.39Å; W9-R11 PolarHBondContact O-N 3.4Å | ||
| 10 | R | 47.5 | Very low | 46.9 | Very low | 238 Ų | 238 | 151.2 Ų | 151.2 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | -75.7 | 112.3 | 166.6 | -77.3 | -171.5 | -174.9 | -136.5 | 2.3 | 108.5 | ||||
| 11 | R | 54.7 | Low | 47 | Very low | 235 Ų | 235 | 153.8 Ų | 153.8 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 132.3 | 162.1 | -72.7 | -179.2 | 176.8 | -177.5 | -1.4 | 108.5 | W9 | W9-R11 PolarHBondContact O-N 3.4Š|
| 12 | P | 49.3 | Very low | 47.4 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 143.7 | 168.8 | 29.5 | -30.6 | 0 | 0 | 0 | 109.3 | A14 | P12-A14 PolarHBondContact O-N 3.36Š|
| 13 | P | 51.4 | Low | 48 | Very low | 84 Ų | 84 | 148.9 Ų | 148.9 | 55% | 0.545 | 75% | 0.749 | S | S | . | * | P | Polyproline II helix | trans | -70.9 | 123.5 | 178.7 | 27.1 | -30.6 | 0 | 0 | 0 | 110 | L15 L16 | P13-L15 PolarHBondContact O-N 3.47Å; P13-L16 HydrophobicContact CG-CD1 4.32Å; P13-L16 PolarHBondContact O-N 2.93Å |
| 14 | A | 55.7 | Low | 48.4 | Very low | 79 Ų | 79 | 147.1 Ų | 147.1 | 65% | 0.653 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -3.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P12 | P12-A14 PolarHBondContact O-N 3.36Š|
| 15 | L | 51.9 | Low | 48.9 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -79.8 | -18.8 | -177.6 | -69.4 | 166.5 | 0 | 0 | 0 | 114 | P13 | P13-L15 PolarHBondContact O-N 3.47Å |
| 16 | L | 52.7 | Low | 49 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 62% | 0.623 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -80.2 | -18.9 | 179.1 | -82.2 | 159.1 | 0 | 0 | 0 | 113.8 | P13 T19 | P13-L16 HydrophobicContact CG-CD1 4.32Å; P13-L16 PolarHBondContact O-N 2.93Å; L16-T19 PolarHBondContact O-OG1 3.23Å |
| 17 | L | 51.1 | Low | 49.1 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 65% | 0.654 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -81.9 | -27.4 | 178.9 | -89.4 | 133.3 | 0 | 0 | 0 | 112.6 | ||
| 18 | W | 48.1 | Very low | 48.9 | Very low | 214 Ų | 214 | 140.7 Ų | 140.7 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -77.7 | -29.4 | 179 | -84.5 | 26.3 | 0 | 0 | 0 | 113.2 | L20 W21 | W18-L20 VanDerWaalsContact C-N 3.33Å; W18-W21 PolarHBondContact O-N 3.48Å |
| 19 | T | 53.8 | Low | 48.8 | Very low | 83 Ų | 83 | 141.1 Ų | 141.1 | 51% | 0.509 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -73.3 | -25.3 | 176.1 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | L16 | L16-T19 PolarHBondContact O-OG1 3.23Å |
| 20 | L | 49.2 | Very low | 48.5 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 58% | 0.581 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -72 | -27.9 | 175.5 | -111.2 | 94 | 0 | 0 | 0 | 113.4 | W18 L23 | W18-L20 VanDerWaalsContact C-N 3.33Å; L20-L23 PolarHBondContact O-N 3.48Å |
| 21 | W | 48.4 | Very low | 48.1 | Very low | 206 Ų | 206 | 128.7 Ų | 128.7 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -73.7 | -25.3 | -178.9 | -86.3 | 52.2 | 0 | 0 | 0 | 113.4 | W18 L23 | W18-W21 PolarHBondContact O-N 3.48Å; W21-L23 VanDerWaalsContact C-N 3.34Å |
| 22 | V | 52.7 | Low | 47.4 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 66% | 0.655 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -77.5 | -22.1 | 178.6 | -177.1 | 0 | 0 | 0 | 0 | 112 | L24 L25 | V22-L24 VanDerWaalsContact C-N 3.3Å; V22-L25 WeakPolarHBondContact O-CD1 3.34Å |
| 23 | L | 50.1 | Low | 46.9 | Very low | 153 Ų | 153 | 122 Ų | 122 | 80% | 0.801 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -2 | 176.7 | -80.3 | 152.4 | 0 | 0 | 0 | 113.7 | L20 W21 | L20-L23 PolarHBondContact O-N 3.48Å; W21-L23 VanDerWaalsContact C-N 3.34Å |
| 24 | L | 49.2 | Very low | 46.5 | Very low | 129 Ų | 129 | 119.7 Ų | 119.7 | 68% | 0.675 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 17.2 | -177.4 | -84.8 | 154.9 | 0 | 0 | 0 | 112.8 | V22 P26 | V22-L24 VanDerWaalsContact C-N 3.3Å; L24-P26 WeakPolarHBondContact O-CD 3.17Å |
| 25 | L | 49.2 | Very low | 45.9 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | trans | -68.2 | 114.9 | 164.3 | -79.6 | 99.8 | 0 | 0 | 0 | 107.8 | V22 S27 | V22-L25 WeakPolarHBondContact O-CD1 3.34Å; L25-S27 PolarHBondContact O-N 3.11Å; L25-S27 VanDerWaalsContact O-N 3.11Å | ||
| 26 | P | 45.3 | Very low | 46 | Very low | 108 Ų | 108 | 118 Ų | 118 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | trans | -62.4 | 120.9 | 170.6 | 27 | -30.3 | 0 | 0 | 0 | 106.3 | L24 T28 | L24-P26 WeakPolarHBondContact O-CD 3.17Å; P26-T28 VanDerWaalsContact C-N 3.26Å; P26-T28 PolarHBondContact O-N 2.79Å | ||
| 27 | S | 43.2 | Very low | 46.6 | Very low | 112 Ų | 112 | 117.9 Ų | 117.9 | 78% | 0.783 | 67% | 0.667 | S | S | * | * | trans | -54.8 | 99.1 | 163.7 | -51.3 | 0 | 0 | 0 | 0 | 106.4 | L25 V29 | L25-S27 PolarHBondContact O-N 3.11Å; L25-S27 VanDerWaalsContact O-N 3.11Å; S27-V29 PolarHBondContact O-N 2.89Å | ||
| 28 | T | 38.6 | Very low | 48.2 | Very low | 119 Ų | 119 | 113.2 Ų | 113.2 | 73% | 0.73 | 64% | 0.644 | S | S | * | * | trans | -67 | 95.8 | 171.6 | 49.4 | 0 | 0 | 0 | 0 | 105.3 | P26 T30 | P26-T28 VanDerWaalsContact C-N 3.26Å; P26-T28 PolarHBondContact O-N 2.79Å; T28-T30 VanDerWaalsContact C-N 3.3Å; T28-T30 PolarHBondContact O-N 2.83Å | ||
| 29 | V | 42 | Very low | 50.2 | Low | 119 Ų | 119 | 104 Ų | 104 | 72% | 0.721 | 61% | 0.612 | S | S | * | * | trans | -58.4 | 103.1 | 166.8 | -179.7 | 0 | 0 | 0 | 0 | 104.8 | S27 L31 | S27-V29 PolarHBondContact O-N 2.89Å; V29-L31 VanDerWaalsContact C-N 3.27Å; V29-L31 PolarHBondContact O-N 2.87Å | ||
| 30 | T | 35.3 | Very low | 52.2 | Low | 116 Ų | 116 | 100.2 Ų | 100.2 | 71% | 0.712 | 59% | 0.589 | S | S | * | * | trans | -66.5 | 95.6 | 173.4 | 45 | 0 | 0 | 0 | 0 | 106.7 | T28 T32 | T28-T30 VanDerWaalsContact C-N 3.3Å; T28-T30 PolarHBondContact O-N 2.83Å; T30-T32 VanDerWaalsContact C-N 3.32Å; T30-T32 PolarHBondContact O-N 3.04Å | ||
| 31 | L | 38.5 | Very low | 54.3 | Low | 101 Ų | 101 | 95.2 Ų | 95.2 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | trans | -67.1 | 95.5 | 173.7 | -149.3 | 80.7 | 0 | 0 | 0 | 106.7 | V29 T33 A58 | V29-L31 VanDerWaalsContact C-N 3.27Å; V29-L31 PolarHBondContact O-N 2.87Å; L31-T33 PolarHBondContact O-N 2.93Å; L31-A58 HydrophobicContact CD1-CB 4.01Å; L31-A58 HydrophobicContact CD2-CB 3.72Å; L31-A58 HydrophobicContact CG-CB 3.64Å | ||
| 32 | T | 39.7 | Very low | 56.4 | Low | 86 Ų | 86 | 85.6 Ų | 85.6 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | trans | -71.2 | 102.8 | 171.9 | 45.9 | 0 | 0 | 0 | 0 | 106.9 | T30 G34 | T30-T32 VanDerWaalsContact C-N 3.32Å; T30-T32 PolarHBondContact O-N 3.04Å; T32-G34 VanDerWaalsContact C-N 3.34Å; T32-G34 PolarHBondContact O-N 2.95Å | ||
| 33 | T | 38.9 | Very low | 58.1 | Low | 122 Ų | 122 | 81.1 Ų | 81.1 | 75% | 0.748 | 50% | 0.498 | S | S | * | . | trans | -67.5 | 93.2 | 172.8 | 40.7 | 0 | 0 | 0 | 0 | 108.7 | L31 | L31-T33 PolarHBondContact O-N 2.93Š| ||
| 34 | G | 42.5 | Very low | 59.7 | Low | 37 Ų | 37 | 74.2 Ų | 74.2 | 38% | 0.381 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 161.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T32 | T32-G34 VanDerWaalsContact C-N 3.34Å; T32-G34 PolarHBondContact O-N 2.95Å |
| 35 | P | 44 | Very low | 61 | Low | 123 Ų | 123 | 72.1 Ų | 72.1 | 80% | 0.799 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -62.1 | 146.9 | -178.4 | 22.9 | -23.9 | 0 | 0 | 0 | 110.8 | ||
| 36 | G | 54.3 | Low | 62.2 | Low | 59 Ų | 59 | 73 Ų | 73 | 61% | 0.608 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -54.2 | 157.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 37 | N | 65.8 | Low | 63.6 | Low | 117 Ų | 117 | 71.5 Ų | 71.5 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | trans | 47.3 | 61.9 | 175.3 | -59 | -7.4 | 0 | 0 | 0 | 114.2 | ||||
| 38 | S | 82.9 | Confident | 65.1 | Low | 26 Ų | 26 | 70.9 Ų | 70.9 | 18% | 0.182 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 132.6 | 167.6 | 62.2 | 0 | 0 | 0 | 0 | 110.2 | C56 G92 | S38-C56 PolarHBondContact N-O 2.66Å; S38-C56 PolarHBondContact O-N 2.97Å; S38-C56 VanDerWaalsContact O-N 3.13Å; S38-C56 PolarHBondContact OG-O 2.94Å; S38-G92 WeakPolarHBondContact CA-O 3.21Å |
| 39 | T | 91.9 | Very high | 67.3 | Low | 20 Ų | 20 | 68.6 Ų | 68.6 | 12% | 0.123 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 130.6 | 172.9 | -62.7 | 0 | 0 | 0 | 0 | 109.2 | L41 C54 E89 G92 L93 T94 | T39-L41 HydrophobicContact CG2-CD2 4.19Å; T39-L41 HydrophobicContact CG2-CG 4.24Å; T39-C54 WeakPolarHBondContact CA-O 3.49Å; T39-E89 VanDerWaalsContact CB-OE2 3.24Å; T39-E89 WeakPolarHBondContact CB-OE2 3.38Å; T39-E89 VanDerWaalsContact OG1-CD 3.29Å; T39-E89 PolarHBondContact OG1-OE2 3.47Å; T39-G92 PolarHBondContact N-O 3.42Å; T39-L93 HydrophobicContact CG2-CD1 3.89Å; T39-T94 PolarHBondContact O-N 3.09Å |
| 40 | L | 93.9 | Very high | 69.5 | Low | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.7 | 174.1 | 169.2 | 65.2 | 0 | 0 | 0 | 109.4 | F42 C54 A68 T94 W96 | L40-F42 HydrophobicContact CD2-CD1 4.28Å; L40-F42 HydrophobicContact CD2-CE1 4.27Å; L40-F42 HydrophobicContact CG-CD1 4.08Å; L40-F42 HydrophobicContact CG-CE1 4.45Å; L40-C54 HydrophobicContact CB-CB 4.05Å; L40-C54 HydrophobicContact CD2-CB 4.45Å; L40-C54 HydrophobicContact CG-CB 4.42Å; L40-C54 PolarHBondContact N-O 3.44Å; L40-C54 PolarHBondContact O-N 3.18Å; L40-A68 HydrophobicContact CD2-CB 3.76Å; L40-T94 CarbonylContact C-O 3.57Å; L40-T94 WeakPolarHBondContact CA-O 3.2Å; L40-T94 HydrophobicContact CD1-CG2 3.63Å; L40-W96 HydrophobicContact CD1-CD2 3.68Å; L40-W96 HydrophobicContact CD1-CE3 4.2Å; L40-W96 HydrophobicContact CD1-CG 3.96Å; L40-W96 HydrophobicContact CD1-CZ2 4.02Å; L40-W96 HydrophobicContact CD2-CE3 4.37Å; L40-W96 HydrophobicContact CD2-CH2 3.8Å; L40-W96 HydrophobicContact CD2-CZ2 3.94Å; L40-W96 HydrophobicContact CD2-CZ3 4.01Å |
| 41 | L | 93.8 | Very high | 72.2 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 134.7 | 176.2 | -62.2 | -178.3 | 0 | 0 | 0 | 110.7 | T39 R52 N53 L87 L93 T94 V95 W96 | T39-L41 HydrophobicContact CG2-CD2 4.19Å; T39-L41 HydrophobicContact CG2-CG 4.24Å; L41-R52 WeakPolarHBondContact CA-O 3.24Å; L41-N53 HydrophobicContact CD2-CB 3.67Å; L41-L87 HydrophobicContact CD1-CD1 3.78Å; L41-L93 HydrophobicContact CD1-CD1 3.95Å; L41-L93 HydrophobicContact CG-CD1 4.06Å; L41-T94 PolarHBondContact N-O 2.93Å; L41-V95 HydrophobicContact CB-CG2 4.48Å; L41-V95 WeakPolarHBondContact O-CA 3.42Å; L41-W96 PolarHBondContact O-N 3.15Å |
| 42 | F | 92.7 | Very high | 74.8 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 1% | 0.013 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 159.1 | 171.9 | 63.6 | -89.4 | 0 | 0 | 0 | 113 | L40 S44 L51 R52 E65 A68 W96 | L40-F42 HydrophobicContact CD2-CD1 4.28Å; L40-F42 HydrophobicContact CD2-CE1 4.27Å; L40-F42 HydrophobicContact CG-CD1 4.08Å; L40-F42 HydrophobicContact CG-CE1 4.45Å; F42-S44 PolarHBondContact O-N 3.49Å; F42-L51 CarbonylContact O-C 3.56Å; F42-L51 WeakPolarHBondContact O-CA 3.22Å; F42-R52 HydrophobicContact CD1-CB 3.94Å; F42-R52 HydrophobicContact CD2-CB 3.97Å; F42-R52 HydrophobicContact CD2-CG 4.05Å; F42-R52 HydrophobicContact CE1-CB 3.64Å; F42-R52 HydrophobicContact CE1-CG 4.38Å; F42-R52 HydrophobicContact CE2-CB 3.67Å; F42-R52 HydrophobicContact CE2-CG 3.52Å; F42-R52 HydrophobicContact CG-CB 4.11Å; F42-R52 HydrophobicContact CZ-CB 3.49Å; F42-R52 VanDerWaalsContact CZ-CB 3.49Å; F42-R52 HydrophobicContact CZ-CG 3.71Å; F42-R52 PolarHBondContact N-O 3.18Å; F42-R52 VanDerWaalsContact N-O 3.15Å; F42-R52 PolarHBondContact O-N 3.49Å; F42-E65 HydrophobicContact CD2-CB 4.45Å; F42-E65 HydrophobicContact CD2-CG 3.75Å; F42-E65 HydrophobicContact CE2-CB 3.87Å; F42-E65 HydrophobicContact CE2-CG 3.68Å; F42-E65 HydrophobicContact CG-CG 4.49Å; F42-E65 HydrophobicContact CZ-CB 4.29Å; F42-E65 HydrophobicContact CZ-CG 4.38Å; F42-A68 HydrophobicContact CE1-CB 4.12Å; F42-A68 HydrophobicContact CZ-CB 4.44Å; F42-W96 WeakPolarHBondContact CA-O 3.11Å; F42-W96 HydrophobicContact CB-CB 3.85Å; F42-W96 HydrophobicContact CB-CE3 4.31Å; F42-W96 HydrophobicContact CD1-CE3 4.12Å; F42-W96 HydrophobicContact CG-CE3 4.25Å |
| 43 | D | 89.3 | Confident | 77.3 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 8% | 0.08 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 131.6 | 178.7 | -67 | -54.2 | 0 | 0 | 0 | 111.9 | L51 | D43-L51 WeakPolarHBondContact OD1-CD2 2.99Å |
| 44 | S | 83.4 | Confident | 79.9 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | trans | -76.1 | 126.2 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | F42 D46 N47 S50 | F42-S44 PolarHBondContact O-N 3.49Å; S44-D46 PolarHBondContact O-N 3.45Å; S44-N47 CarbonylContact O-C 3.53Å; S44-N47 PolarHBondContact O-N 2.93Å; S44-S50 VanDerWaalsContact CB-O 3.32Å; S44-S50 WeakPolarHBondContact CB-O 3.3Å; S44-S50 WeakPolarHBondContact CB-OG 3.5Å; S44-S50 PolarHBondContact N-O 3.29Å | ||
| 45 | T | 76.9 | Confident | 82.3 | Confident | 85 Ų | 85 | 48.3 Ų | 48.3 | 52% | 0.521 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.7 | 175.6 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 46 | D | 73.9 | Confident | 84.6 | Confident | 147 Ų | 147 | 42.6 Ų | 42.6 | 79% | 0.786 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -19.2 | -170.8 | -56.1 | -20.9 | 0 | 0 | 0 | 112.3 | S44 | S44-D46 PolarHBondContact O-N 3.45Š|
| 47 | N | 75.4 | Confident | 86.2 | Confident | 76 Ų | 76 | 44.1 Ų | 44.1 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | trans | -156.3 | 112.7 | 179.7 | 176.9 | -3.6 | 0 | 0 | 0 | 110.2 | S44 N49 S50 | S44-N47 CarbonylContact O-C 3.53Å; S44-N47 PolarHBondContact O-N 2.93Å; N47-N49 PolarHBondContact O-N 3.05Å; N47-N49 VanDerWaalsContact O-N 3.1Å; N47-N49 PolarHBondContact OD1-N 2.88Å; N47-S50 WeakPolarHBondContact CB-OG 3.42Å; N47-S50 PolarHBondContact O-N 3.38Å; N47-S50 PolarHBondContact O-OG 2.98Å | ||
| 48 | S | 74.7 | Confident | 87.1 | Confident | 98 Ų | 98 | 39 Ų | 39 | 69% | 0.685 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28 | -177.1 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | S50 R79 | S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 PolarHBondContact O-N 3.13Å; S48-R79 VanDerWaalsContact O-CZ 3.31Å; S48-R79 PolarHBondContact O-NE 2.98Å; S48-R79 VanDerWaalsContact O-NE 3.13Å; S48-R79 PolarHBondContact O-NH2 3.21Å |
| 49 | N | 83.8 | Confident | 87.3 | Confident | 71 Ų | 71 | 40.7 Ų | 40.7 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 18.8 | 179.4 | -164.4 | 31.9 | 0 | 0 | 0 | 113.8 | N47 R79 | N47-N49 PolarHBondContact O-N 3.05Å; N47-N49 VanDerWaalsContact O-N 3.1Å; N47-N49 PolarHBondContact OD1-N 2.88Å; N49-R79 PolarHBondContact O-N 2.77Å |
| 50 | S | 89.1 | Confident | 87.3 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.6 | -177.7 | 69.3 | 0 | 0 | 0 | 0 | 112.4 | S44 N47 S48 V77 | S44-S50 VanDerWaalsContact CB-O 3.32Å; S44-S50 WeakPolarHBondContact CB-O 3.3Å; S44-S50 WeakPolarHBondContact CB-OG 3.5Å; S44-S50 PolarHBondContact N-O 3.29Å; N47-S50 WeakPolarHBondContact CB-OG 3.42Å; N47-S50 PolarHBondContact O-N 3.38Å; N47-S50 PolarHBondContact O-OG 2.98Å; S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 PolarHBondContact O-N 3.13Å; S50-V77 CarbonylContact C-O 3.58Å; S50-V77 VanDerWaalsContact CA-O 3.28Å; S50-V77 WeakPolarHBondContact CA-O 3.39Å; S50-V77 WeakPolarHBondContact CB-O 3.27Å |
| 51 | L | 91.2 | Very high | 87.2 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 149.6 | 177.1 | -66.8 | 163.5 | 0 | 0 | 0 | 109.5 | F42 D43 T76 V77 R79 L82 L106 | F42-L51 CarbonylContact O-C 3.56Å; F42-L51 WeakPolarHBondContact O-CA 3.22Å; D43-L51 WeakPolarHBondContact OD1-CD2 2.99Å; L51-T76 CarbonylContact O-C 3.49Å; L51-T76 WeakPolarHBondContact O-CA 3.28Å; L51-V77 PolarHBondContact N-O 2.8Å; L51-V77 PolarHBondContact O-N 2.9Å; L51-R79 HydrophobicContact CD1-CG 3.75Å; L51-R79 HydrophobicContact CG-CG 3.69Å; L51-L82 HydrophobicContact CD1-CD1 3.43Å; L51-L82 VanDerWaalsContact CD1-CD1 3.43Å; L51-L106 HydrophobicContact CD1-CD1 3.76Å; L51-L106 HydrophobicContact CD1-CD2 3.55Å; L51-L106 HydrophobicContact CD1-CG 4.31Å; L51-L106 HydrophobicContact CD2-CD1 4.19Å |
| 52 | R | 92.9 | Very high | 87.1 | Confident | 51 Ų | 51 | 46.9 Ų | 46.9 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 122.1 | 163.4 | -61.6 | -66.2 | -70.2 | 167.4 | -4.3 | 107.6 | L41 F42 N69 T76 | L41-R52 WeakPolarHBondContact CA-O 3.24Å; F42-R52 HydrophobicContact CD1-CB 3.94Å; F42-R52 HydrophobicContact CD2-CB 3.97Å; F42-R52 HydrophobicContact CD2-CG 4.05Å; F42-R52 HydrophobicContact CE1-CB 3.64Å; F42-R52 HydrophobicContact CE1-CG 4.38Å; F42-R52 HydrophobicContact CE2-CB 3.67Å; F42-R52 HydrophobicContact CE2-CG 3.52Å; F42-R52 HydrophobicContact CG-CB 4.11Å; F42-R52 HydrophobicContact CZ-CB 3.49Å; F42-R52 VanDerWaalsContact CZ-CB 3.49Å; F42-R52 HydrophobicContact CZ-CG 3.71Å; F42-R52 PolarHBondContact N-O 3.18Å; F42-R52 VanDerWaalsContact N-O 3.15Å; F42-R52 PolarHBondContact O-N 3.49Å; R52-N69 PolarHBondContact NE-OD1 3.21Å; R52-N69 PolarHBondContact NH2-OD1 3.29Å; R52-T76 PolarHBondContact NH1-OG1 3.48Å |
| 53 | N | 92.9 | Very high | 87 | Confident | 43 Ų | 43 | 48.8 Ų | 48.8 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 114.6 | 172.2 | -178 | -14.1 | 0 | 0 | 0 | 108.5 | L41 C74 H75 V77 | L41-N53 HydrophobicContact CD2-CB 3.67Å; N53-C74 WeakPolarHBondContact O-CA 3.34Å; N53-H75 PolarHBondContact N-O 3.38Å; N53-H75 PolarHBondContact O-CE1 3.37Å; N53-H75 PolarHBondContact O-N 2.82Å; N53-H75 PolarHBondContact O-ND1 2.93Å; N53-V77 HydrophobicContact CB-CG2 4.01Å |
| 54 | C | 93.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.6 | -171.8 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | T39 L40 C72 S73 C74 | T39-C54 WeakPolarHBondContact CA-O 3.49Å; L40-C54 HydrophobicContact CB-CB 4.05Å; L40-C54 HydrophobicContact CD2-CB 4.45Å; L40-C54 HydrophobicContact CG-CB 4.42Å; L40-C54 PolarHBondContact N-O 3.44Å; L40-C54 PolarHBondContact O-N 3.18Å; C54-C72 HydrophobicContact CB-CB 3.98Å; C54-S73 WeakPolarHBondContact CA-O 3.42Å; C54-C74 HydrophobicContact CB-CB 4.11Å; C54-C74 WeakPolarHBondContact CB-SG 3.4Å; C54-C74 WeakPolarHBondContact SG-CB 3.48Å; C54-C74 CovalentContact SG-SG 2.03Å; C54-C74 PolarHBondContact SG-SG 2.85Å |
| 55 | S | 93 | Very high | 87.6 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 119.1 | 164.8 | -170.7 | 0 | 0 | 0 | 0 | 109.1 | C72 S73 | S55-C72 WeakPolarHBondContact O-CB 3.23Å; S55-S73 PolarHBondContact N-O 2.72Å; S55-S73 PolarHBondContact O-N 3.07Å |
| 56 | C | 90.8 | Very high | 88.3 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.02 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.1 | -177.7 | -58.6 | 0 | 0 | 0 | 0 | 110.3 | S38 I60 C72 | S38-C56 PolarHBondContact N-O 2.66Å; S38-C56 PolarHBondContact O-N 2.97Å; S38-C56 VanDerWaalsContact O-N 3.13Å; S38-C56 PolarHBondContact OG-O 2.94Å; C56-I60 HydrophobicContact CB-CG1 4.48Å; C56-C72 HydrophobicContact CB-CB 4.07Å; C56-C72 WeakPolarHBondContact CB-SG 3.27Å; C56-C72 WeakPolarHBondContact SG-CB 3.29Å; C56-C72 CovalentContact SG-SG 2.03Å; C56-C72 PolarHBondContact SG-SG 3.09Å |
| 57 | S | 88 | Confident | 89.2 | Confident | 91 Ų | 91 | 46.8 Ų | 46.8 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -85.5 | -13.7 | 175.2 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 58 | A | 86 | Confident | 90.1 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -143.6 | 165.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L31 I60 | L31-A58 HydrophobicContact CD1-CB 4.01Å; L31-A58 HydrophobicContact CD2-CB 3.72Å; L31-A58 HydrophobicContact CG-CB 3.64Å; A58-I60 PolarHBondContact O-N 3.03Å |
| 59 | H | 87 | Confident | 90.9 | Very high | 63 Ų | 63 | 41.8 Ų | 41.8 | 29% | 0.292 | 24% | 0.238 | S | C | . | . | trans | -65.3 | 132.5 | 174.9 | 176.3 | -110.2 | 0 | 0 | 0 | 110.9 | D62 R116 | H59-D62 IonicContact NE2-OD1 3.92Å; H59-R116 PolarHBondContact CD2-NH1 2.83Å; H59-R116 PolarHBondContact NE2-NH1 3.4Å; H59-R116 PolarHBondContact NE2-NH2 3.44Å | ||
| 60 | I | 91.9 | Very high | 91.4 | Very high | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | trans | -105 | 136.9 | 172.3 | -51.4 | -59.5 | 0 | 0 | 0 | 108.4 | C56 A58 D62 L67 A68 L71 C72 W96 | C56-I60 HydrophobicContact CB-CG1 4.48Å; A58-I60 PolarHBondContact O-N 3.03Å; I60-D62 PolarHBondContact O-N 3.43Å; I60-L67 HydrophobicContact CG2-CB 4.21Å; I60-L67 HydrophobicContact CG2-CD2 3.99Å; I60-L67 HydrophobicContact CG2-CG 4.05Å; I60-A68 HydrophobicContact CG2-CB 4.18Å; I60-L71 HydrophobicContact CD1-CB 3.93Å; I60-L71 HydrophobicContact CD1-CD1 4.01Å; I60-C72 VanDerWaalsContact CG1-SG 3.58Å; I60-W96 HydrophobicContact CB-CH2 4.13Å; I60-W96 HydrophobicContact CB-CZ2 4.19Å; I60-W96 HydrophobicContact CG2-CH2 3.72Å; I60-W96 HydrophobicContact CG2-CZ2 4.21Å | ||
| 61 | Q | 91.6 | Very high | 91.6 | Very high | 132 Ų | 132 | 49.2 Ų | 49.2 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | trans | -51.3 | 130.7 | 175.5 | -177.7 | 171.9 | -7.9 | 0 | 0 | 110.5 | C63 D64 W96 | Q61-C63 PolarHBondContact O-N 2.84Å; Q61-D64 HydrophobicContact CB-CB 4.4Å; Q61-D64 PolarHBondContact O-N 3.19Å; Q61-W96 VanDerWaalsContact O-CH2 3.3Å; Q61-W96 WeakPolarHBondContact O-CH2 3.13Å; Q61-W96 WeakPolarHBondContact O-CZ2 3.38Å | ||
| 62 | D | 91 | Very high | 91.7 | Very high | 16 Ų | 16 | 49.8 Ų | 49.8 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 137.9 | -175.3 | -72.2 | -9.4 | 0 | 0 | 0 | 110.6 | H59 I60 D64 W96 R116 S118 H143 | H59-D62 IonicContact NE2-OD1 3.92Å; I60-D62 PolarHBondContact O-N 3.43Å; D62-D64 PolarHBondContact O-N 2.93Å; D62-W96 PolarHBondContact OD1-NE1 3.44Å; D62-R116 IonicContact OD1-CZ 3.64Å; D62-R116 IonicContact OD1-NE 3.18Å; D62-R116 PolarHBondContact OD1-NE 2.84Å; D62-R116 IonicContact OD1-NH2 3.94Å; D62-R116 PolarHBondContact OD1-NH2 2.93Å; D62-R116 IonicContact OD2-CZ 3.05Å; D62-R116 VanDerWaalsContact OD2-CZ 3.29Å; D62-R116 IonicContact OD2-NE 3.29Å; D62-R116 PolarHBondContact OD2-NE 2.91Å; D62-R116 VanDerWaalsContact OD2-NE 3.09Å; D62-R116 IonicContact OD2-NH2 3.82Å; D62-R116 PolarHBondContact OD2-NH2 3.22Å; D62-S118 PolarHBondContact OD1-OG 3.42Å; D62-S118 PolarHBondContact OD2-OG 3.29Å; D62-H143 WeakPolarHBondContact OD2-CB 3.16Å; D62-H143 IonicContact OD2-CD2 3.6Å; D62-H143 IonicContact OD2-CG 3.26Å; D62-H143 VanDerWaalsContact OD2-CG 3.26Å; D62-H143 IonicContact OD2-ND1 3.99Å |
| 63 | C | 90.4 | Very high | 91.8 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 29% | 0.291 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 10.7 | 179.8 | -46.9 | 0 | 0 | 0 | 0 | 115.8 | Q61 E65 C120 | Q61-C63 PolarHBondContact O-N 2.84Å; C63-E65 PolarHBondContact O-N 3.04Å; C63-C120 WeakPolarHBondContact CA-SG 3.16Å; C63-C120 HydrophobicContact CB-CB 3.61Å; C63-C120 WeakPolarHBondContact CB-SG 3.25Å; C63-C120 WeakPolarHBondContact SG-CA 3.38Å; C63-C120 WeakPolarHBondContact SG-CB 3.33Å; C63-C120 CovalentContact SG-SG 2.03Å; C63-C120 PolarHBondContact SG-SG 2.88Å |
| 64 | D | 92.6 | Very high | 91.8 | Very high | 56 Ų | 56 | 51 Ų | 51 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | trans | -93.7 | 79.3 | 171.6 | -164.9 | -21.2 | 0 | 0 | 0 | 111.4 | Q61 D62 A66 L67 A68 W96 | Q61-D64 HydrophobicContact CB-CB 4.4Å; Q61-D64 PolarHBondContact O-N 3.19Å; D62-D64 PolarHBondContact O-N 2.93Å; D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 3.16Å; D64-A66 PolarHBondContact OD1-N 2.86Å; D64-L67 HydrophobicContact CB-CB 3.94Å; D64-L67 PolarHBondContact O-N 3.2Å; D64-L67 VanDerWaalsContact OD1-CB 3.24Å; D64-L67 WeakPolarHBondContact OD1-CB 3.38Å; D64-L67 PolarHBondContact OD1-N 3.44Å; D64-L67 WeakPolarHBondContact OD2-CB 3.03Å; D64-A68 PolarHBondContact O-N 2.03Å; D64-W96 WeakPolarHBondContact O-CZ3 3.42Å | ||
| 65 | E | 92.5 | Very high | 91.7 | Very high | 31 Ų | 31 | 55.8 Ų | 55.8 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.2 | -33.3 | -178.9 | -63.7 | 175.7 | -157.7 | 0 | 0 | 112.8 | F42 C63 A68 N69 W96 R98 | F42-E65 HydrophobicContact CD2-CB 4.45Å; F42-E65 HydrophobicContact CD2-CG 3.75Å; F42-E65 HydrophobicContact CE2-CB 3.87Å; F42-E65 HydrophobicContact CE2-CG 3.68Å; F42-E65 HydrophobicContact CG-CG 4.49Å; F42-E65 HydrophobicContact CZ-CB 4.29Å; F42-E65 HydrophobicContact CZ-CG 4.38Å; C63-E65 PolarHBondContact O-N 3.04Å; E65-A68 PolarHBondContact O-N 3.01Å; E65-N69 WeakPolarHBondContact O-CB 3.04Å; E65-N69 PolarHBondContact O-N 2.93Å; E65-N69 PolarHBondContact O-ND2 2.78Å; E65-W96 HydrophobicContact CG-CE3 4.29Å; E65-W96 HydrophobicContact CG-CZ3 4.34Å; E65-R98 IonicContact OE1-CZ 3.36Å; E65-R98 IonicContact OE1-NE 3.21Å; E65-R98 PolarHBondContact OE1-NE 3.31Å; E65-R98 IonicContact OE1-NH2 2.7Å; E65-R98 PolarHBondContact OE1-NH2 3.49Å; E65-R98 IonicContact OE2-CZ 3.99Å; E65-R98 IonicContact OE2-NH2 2.9Å; E65-R98 PolarHBondContact OE2-NH2 3.47Å |
| 66 | A | 92 | Very high | 91.7 | Very high | 77 Ų | 77 | 56.9 Ų | 56.9 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.1 | -44.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D64 N69 L70 | D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 3.16Å; D64-A66 PolarHBondContact OD1-N 2.86Å; A66-N69 PolarHBondContact O-N 3.13Å; A66-L70 PolarHBondContact O-N 3.1Å |
| 67 | L | 93.9 | Very high | 91.7 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 176.2 | -172.2 | 64.1 | 0 | 0 | 0 | 112 | I60 D64 N69 L70 L71 | I60-L67 HydrophobicContact CG2-CB 4.21Å; I60-L67 HydrophobicContact CG2-CD2 3.99Å; I60-L67 HydrophobicContact CG2-CG 4.05Å; D64-L67 HydrophobicContact CB-CB 3.94Å; D64-L67 PolarHBondContact O-N 3.2Å; D64-L67 VanDerWaalsContact OD1-CB 3.24Å; D64-L67 WeakPolarHBondContact OD1-CB 3.38Å; D64-L67 PolarHBondContact OD1-N 3.44Å; D64-L67 WeakPolarHBondContact OD2-CB 3.03Å; L67-N69 PolarHBondContact O-N 3.13Å; L67-L70 PolarHBondContact O-N 3.31Å; L67-L71 HydrophobicContact CD1-CD1 3.52Å; L67-L71 HydrophobicContact CD1-CG 3.89Å; L67-L71 HydrophobicContact CG-CD1 3.85Å; L67-L71 HydrophobicContact CG-CG 4.34Å; L67-L71 WeakPolarHBondContact O-CB 3.39Å; L67-L71 PolarHBondContact O-N 2.87Å |
| 68 | A | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L40 F42 I60 D64 E65 L70 L71 C72 W96 | L40-A68 HydrophobicContact CD2-CB 3.76Å; F42-A68 HydrophobicContact CE1-CB 4.12Å; F42-A68 HydrophobicContact CZ-CB 4.44Å; I60-A68 HydrophobicContact CG2-CB 4.18Å; D64-A68 PolarHBondContact O-N 2.03Å; E65-A68 PolarHBondContact O-N 3.01Å; A68-L70 PolarHBondContact O-N 3.22Å; A68-L71 PolarHBondContact O-N 3.02Å; A68-C72 VanDerWaalsContact O-CB 3.22Å; A68-C72 WeakPolarHBondContact O-CB 3.22Å; A68-C72 PolarHBondContact O-N 2.87Å; A68-W96 HydrophobicContact CB-CH2 3.93Å; A68-W96 HydrophobicContact CB-CZ3 3.87Å |
| 69 | N | 92.1 | Very high | 91.6 | Very high | 69 Ų | 69 | 58.7 Ų | 58.7 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66 | -24.2 | 178.1 | -75.8 | -53 | 0 | 0 | 0 | 113.4 | R52 E65 A66 L67 | R52-N69 PolarHBondContact NE-OD1 3.21Å; R52-N69 PolarHBondContact NH2-OD1 3.29Å; E65-N69 WeakPolarHBondContact O-CB 3.04Å; E65-N69 PolarHBondContact O-N 2.93Å; E65-N69 PolarHBondContact O-ND2 2.78Å; A66-N69 PolarHBondContact O-N 3.13Å; L67-N69 PolarHBondContact O-N 3.13Å |
| 70 | L | 93.1 | Very high | 91.3 | Very high | 138 Ų | 138 | 59.8 Ų | 59.8 | 72% | 0.723 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -83.3 | -42 | 177.8 | -173.5 | 73.5 | 0 | 0 | 0 | 112.4 | A66 L67 A68 | A66-L70 PolarHBondContact O-N 3.1Å; L67-L70 PolarHBondContact O-N 3.31Å; A68-L70 PolarHBondContact O-N 3.22Å |
| 71 | L | 93.8 | Very high | 90.7 | Very high | 92 Ų | 92 | 66.6 Ų | 66.6 | 48% | 0.482 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -98.5 | -18.3 | -170 | -63.5 | -173.4 | 0 | 0 | 0 | 114.2 | I60 L67 A68 | I60-L71 HydrophobicContact CD1-CB 3.93Å; I60-L71 HydrophobicContact CD1-CD1 4.01Å; L67-L71 HydrophobicContact CD1-CD1 3.52Å; L67-L71 HydrophobicContact CD1-CG 3.89Å; L67-L71 HydrophobicContact CG-CD1 3.85Å; L67-L71 HydrophobicContact CG-CG 4.34Å; L67-L71 WeakPolarHBondContact O-CB 3.39Å; L67-L71 PolarHBondContact O-N 2.87Å; A68-L71 PolarHBondContact O-N 3.02Å |
| 72 | C | 93.8 | Very high | 89.9 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 10% | 0.101 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -111.7 | 156.9 | -177.7 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | C54 S55 C56 I60 A68 C74 | C54-C72 HydrophobicContact CB-CB 3.98Å; S55-C72 WeakPolarHBondContact O-CB 3.23Å; C56-C72 HydrophobicContact CB-CB 4.07Å; C56-C72 WeakPolarHBondContact CB-SG 3.27Å; C56-C72 WeakPolarHBondContact SG-CB 3.29Å; C56-C72 CovalentContact SG-SG 2.03Å; C56-C72 PolarHBondContact SG-SG 3.09Å; I60-C72 VanDerWaalsContact CG1-SG 3.58Å; A68-C72 VanDerWaalsContact O-CB 3.22Å; A68-C72 WeakPolarHBondContact O-CB 3.22Å; A68-C72 PolarHBondContact O-N 2.87Å; C72-C74 PolarHBondContact O-N 2.81Å |
| 73 | S | 94.3 | Very high | 89.1 | Confident | 93 Ų | 93 | 64.8 Ų | 64.8 | 65% | 0.65 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 98.6 | 170.9 | -169.5 | 0 | 0 | 0 | 0 | 109.2 | C54 S55 | C54-S73 WeakPolarHBondContact CA-O 3.42Å; S55-S73 PolarHBondContact N-O 2.72Å; S55-S73 PolarHBondContact O-N 3.07Å |
| 74 | C | 93.4 | Very high | 88.1 | Confident | 28 Ų | 28 | 67.7 Ų | 67.7 | 19% | 0.189 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136 | -173.7 | -64 | 0 | 0 | 0 | 0 | 112.9 | N53 C54 C72 | N53-C74 WeakPolarHBondContact O-CA 3.34Å; C54-C74 HydrophobicContact CB-CB 4.11Å; C54-C74 WeakPolarHBondContact CB-SG 3.4Å; C54-C74 WeakPolarHBondContact SG-CB 3.48Å; C54-C74 CovalentContact SG-SG 2.03Å; C54-C74 PolarHBondContact SG-SG 2.85Å; C72-C74 PolarHBondContact O-N 2.81Å |
| 75 | H | 92.2 | Very high | 86.9 | Confident | 100 Ų | 100 | 65.4 Ų | 65.4 | 46% | 0.463 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 156.1 | 171.7 | 62.7 | -75.1 | 0 | 0 | 0 | 110.8 | N53 V77 | N53-H75 PolarHBondContact N-O 3.38Å; N53-H75 PolarHBondContact O-CE1 3.37Å; N53-H75 PolarHBondContact O-N 2.82Å; N53-H75 PolarHBondContact O-ND1 2.93Å; H75-V77 WeakPolarHBondContact CD2-CG2 3.35Å; H75-V77 WeakPolarHBondContact NE2-CG2 3.33Å |
| 76 | T | 92.4 | Very high | 85.8 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.7 | 179.7 | -57.5 | 0 | 0 | 0 | 0 | 110.3 | L51 R52 | L51-T76 CarbonylContact O-C 3.49Å; L51-T76 WeakPolarHBondContact O-CA 3.28Å; R52-T76 PolarHBondContact NH1-OG1 3.48Å |
| 77 | V | 90.2 | Very high | 85.3 | Confident | 29 Ų | 29 | 63 Ų | 63 | 18% | 0.176 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137 | 178.3 | -174.8 | 0 | 0 | 0 | 0 | 109 | S50 L51 N53 H75 L82 | S50-V77 CarbonylContact C-O 3.58Å; S50-V77 VanDerWaalsContact CA-O 3.28Å; S50-V77 WeakPolarHBondContact CA-O 3.39Å; S50-V77 WeakPolarHBondContact CB-O 3.27Å; L51-V77 PolarHBondContact N-O 2.8Å; L51-V77 PolarHBondContact O-N 2.9Å; N53-V77 HydrophobicContact CB-CG2 4.01Å; H75-V77 WeakPolarHBondContact CD2-CG2 3.35Å; H75-V77 WeakPolarHBondContact NE2-CG2 3.33Å; V77-L82 HydrophobicContact CG1-CD2 3.91Å; V77-L82 HydrophobicContact CG1-CG 4.28Å |
| 78 | Q | 88.8 | Confident | 84.7 | Confident | 88 Ų | 88 | 66.1 Ų | 66.1 | 41% | 0.411 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 138.6 | 173.3 | -76.8 | 178 | -15.2 | 0 | 0 | 110.4 | S80 K81 | Q78-S80 VanDerWaalsContact C-N 3.28Å; Q78-S80 PolarHBondContact O-N 2.98Å; Q78-K81 HydrophobicContact CB-CB 4.44Å; Q78-K81 HydrophobicContact CB-CD 4.26Å; Q78-K81 HydrophobicContact CB-CG 4.05Å; Q78-K81 WeakPolarHBondContact O-CB 3.35Å; Q78-K81 PolarHBondContact O-N 2.03Å |
| 79 | R | 83.1 | Confident | 83.9 | Confident | 25 Ų | 25 | 68.4 Ų | 68.4 | 9% | 0.094 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -59.6 | -39.9 | 179.1 | -69.8 | -165.1 | -83.4 | 139.6 | -18.1 | 112.3 | S48 N49 L51 K81 L82 E105 | S48-R79 VanDerWaalsContact O-CZ 3.31Å; S48-R79 PolarHBondContact O-NE 2.98Å; S48-R79 VanDerWaalsContact O-NE 3.13Å; S48-R79 PolarHBondContact O-NH2 3.21Å; N49-R79 PolarHBondContact O-N 2.77Å; L51-R79 HydrophobicContact CD1-CG 3.75Å; L51-R79 HydrophobicContact CG-CG 3.69Å; R79-K81 PolarHBondContact O-N 2.7Å; R79-K81 VanDerWaalsContact O-N 3.12Å; R79-L82 WeakPolarHBondContact O-CB 3.41Å; R79-L82 PolarHBondContact O-N 3.02Å; R79-E105 IonicContact NH1-OE1 3.9Å; R79-E105 IonicContact NH1-OE2 3.01Å; R79-E105 PolarHBondContact NH1-OE2 2.03Å |
| 80 | S | 80 | Confident | 82.7 | Confident | 85 Ų | 85 | 72.5 Ų | 72.5 | 59% | 0.594 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -62.2 | -18.1 | 175.2 | 58.9 | 0 | 0 | 0 | 0 | 115.3 | Q78 | Q78-S80 VanDerWaalsContact C-N 3.28Å; Q78-S80 PolarHBondContact O-N 2.98Å |
| 81 | K | 80.1 | Confident | 81.9 | Confident | 155 Ų | 155 | 67.1 Ų | 67.1 | 67% | 0.674 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -87.7 | -14.3 | 175.6 | -68.4 | -173.7 | 177.9 | -175.8 | 0 | 112.7 | Q78 R79 | Q78-K81 HydrophobicContact CB-CB 4.44Å; Q78-K81 HydrophobicContact CB-CD 4.26Å; Q78-K81 HydrophobicContact CB-CG 4.05Å; Q78-K81 WeakPolarHBondContact O-CB 3.35Å; Q78-K81 PolarHBondContact O-N 2.03Å; R79-K81 PolarHBondContact O-N 2.7Å; R79-K81 VanDerWaalsContact O-N 3.12Å |
| 82 | L | 75.6 | Confident | 81.6 | Confident | 32 Ų | 32 | 64 Ų | 64 | 17% | 0.168 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -79.5 | 134 | 171.9 | -60.4 | -179.8 | 0 | 0 | 0 | 108.2 | L51 V77 R79 P84 L106 | L51-L82 HydrophobicContact CD1-CD1 3.43Å; L51-L82 VanDerWaalsContact CD1-CD1 3.43Å; V77-L82 HydrophobicContact CG1-CD2 3.91Å; V77-L82 HydrophobicContact CG1-CG 4.28Å; R79-L82 WeakPolarHBondContact O-CB 3.41Å; R79-L82 PolarHBondContact O-N 3.02Å; L82-P84 VanDerWaalsContact O-CD 3.25Å; L82-P84 WeakPolarHBondContact O-CD 3.37Å; L82-L106 HydrophobicContact CD1-CD2 3.73Å |
| 83 | T | 72.6 | Confident | 81.5 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 48% | 0.479 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 119 | 168.8 | -53.9 | 0 | 0 | 0 | 0 | 107.5 | G85 G86 L223 | T83-G85 PolarHBondContact O-N 2.76Å; T83-G86 WeakPolarHBondContact O-CA 3.42Å; T83-G86 PolarHBondContact O-N 3.4Å; T83-L223 HydrophobicContact CG2-CD1 4.08Å |
| 84 | P | 70.1 | Confident | 81.6 | Confident | 104 Ų | 104 | 59.9 Ų | 59.9 | 68% | 0.675 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 127 | 177.6 | -24.5 | 34.6 | 0 | 0 | 0 | 109.6 | L82 G86 | L82-P84 VanDerWaalsContact O-CD 3.25Å; L82-P84 WeakPolarHBondContact O-CD 3.37Å; P84-G86 PolarHBondContact O-N 3.12Å |
| 85 | G | 67.9 | Low | 81.6 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 8% | 0.082 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 12.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T83 E105 N108 G109 S110 | T83-G85 PolarHBondContact O-N 2.76Å; G85-E105 PolarHBondContact N-O 2.9Å; G85-N108 WeakPolarHBondContact CA-O 3.35Å; G85-G109 CarbonylContact O-C 2.86Å; G85-S110 VanDerWaalsContact C-OG 3.27Å; G85-S110 VanDerWaalsContact O-CA 3.24Å; G85-S110 WeakPolarHBondContact O-CA 3.35Å; G85-S110 PolarHBondContact O-N 2.74Å; G85-S110 PolarHBondContact O-OG 2.8Å |
| 86 | G | 70.1 | Confident | 81.7 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | trans | -103.5 | 11.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T83 P84 R88 | T83-G86 WeakPolarHBondContact O-CA 3.42Å; T83-G86 PolarHBondContact O-N 3.4Å; P84-G86 PolarHBondContact O-N 3.12Å; G86-R88 PolarHBondContact O-N 3.01Å | ||
| 87 | L | 81.6 | Confident | 81.5 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | trans | -66.4 | 129.3 | 178.3 | -64.9 | 176.2 | 0 | 0 | 0 | 109.2 | L41 L93 L106 L107 S110 V111 | L41-L87 HydrophobicContact CD1-CD1 3.78Å; L87-L93 HydrophobicContact CD1-CD2 4.36Å; L87-L106 HydrophobicContact CD1-CB 4.47Å; L87-L107 HydrophobicContact CD1-CD2 3.99Å; L87-S110 PolarHBondContact N-OG 3.12Å; L87-S110 WeakPolarHBondContact O-CA 3.35Å; L87-S110 WeakPolarHBondContact O-CB 3Å; L87-V111 PolarHBondContact O-N 3.15Å | ||
| 88 | R | 80.8 | Confident | 81.3 | Confident | 113 Ų | 113 | 53.6 Ų | 53.6 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 83.6 | -179.5 | -69.1 | 177.5 | 174.8 | -79.5 | -1.6 | 107.2 | G86 V111 L223 | G86-R88 PolarHBondContact O-N 3.01Å; R88-V111 WeakPolarHBondContact CA-O 3.37Å; R88-V111 HydrophobicContact CG-CB 4.43Å; R88-L223 PolarHBondContact NH2-O 3.01Å |
| 89 | E | 76.8 | Confident | 81 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 23% | 0.229 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 121.8 | -179.6 | -170 | 50.1 | -102 | 0 | 0 | 109.1 | T39 G91 L93 V111 | T39-E89 VanDerWaalsContact CB-OE2 3.24Å; T39-E89 WeakPolarHBondContact CB-OE2 3.38Å; T39-E89 VanDerWaalsContact OG1-CD 3.29Å; T39-E89 PolarHBondContact OG1-OE2 3.47Å; E89-G91 PolarHBondContact OE1-N 2.62Å; E89-G91 VanDerWaalsContact OE1-N 3.14Å; E89-L93 HydrophobicContact CB-CB 4.23Å; E89-L93 HydrophobicContact CG-CB 4.08Å; E89-V111 PolarHBondContact N-O 3.26Å |
| 90 | Q | 66.9 | Low | 80.9 | Confident | 154 Ų | 154 | 52.9 Ų | 52.9 | 72% | 0.72 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -25.9 | 177.7 | -66.1 | -174.8 | -7.5 | 0 | 0 | 110.9 | ||
| 91 | G | 75.4 | Confident | 80.9 | Confident | 25 Ų | 25 | 55 Ų | 55 | 26% | 0.258 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -157.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | E89 | E89-G91 PolarHBondContact OE1-N 2.62Å; E89-G91 VanDerWaalsContact OE1-N 3.14Å |
| 92 | G | 87.3 | Confident | 81.1 | Confident | 26 Ų | 26 | 47.8 Ų | 47.8 | 27% | 0.268 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 131.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S38 T39 D114 | S38-G92 WeakPolarHBondContact CA-O 3.21Å; T39-G92 PolarHBondContact N-O 3.42Å; G92-D114 WeakPolarHBondContact CA-O 3.37Å |
| 93 | L | 92.9 | Very high | 81.7 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 123.6 | 172.1 | -178 | 60.9 | 0 | 0 | 0 | 109.8 | T39 L41 L87 E89 V95 L107 V112 D114 L115 R116 | T39-L93 HydrophobicContact CG2-CD1 3.89Å; L41-L93 HydrophobicContact CD1-CD1 3.95Å; L41-L93 HydrophobicContact CG-CD1 4.06Å; L87-L93 HydrophobicContact CD1-CD2 4.36Å; E89-L93 HydrophobicContact CB-CB 4.23Å; E89-L93 HydrophobicContact CG-CB 4.08Å; L93-V95 HydrophobicContact CD1-CG2 4.36Å; L93-V95 HydrophobicContact CD2-CG2 4.12Å; L93-V95 HydrophobicContact CG-CG2 3.93Å; L93-L107 HydrophobicContact CD2-CD2 3.71Å; L93-V112 HydrophobicContact CB-CG1 3.73Å; L93-V112 HydrophobicContact CD2-CG1 4.24Å; L93-V112 HydrophobicContact CD2-CG2 3.81Å; L93-D114 PolarHBondContact N-O 2.81Å; L93-L115 HydrophobicContact CB-CD1 4.2Å; L93-L115 HydrophobicContact CD2-CD1 4.06Å; L93-L115 HydrophobicContact CG-CD1 4.13Å; L93-L115 CarbonylContact O-C 3.53Å; L93-L115 WeakPolarHBondContact O-CA 3.38Å; L93-R116 PolarHBondContact O-N 3.32Å |
| 94 | T | 94.7 | Very high | 82.2 | Confident | 20 Ų | 20 | 44.5 Ų | 44.5 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.4 | 168.3 | -57.2 | 0 | 0 | 0 | 0 | 109.2 | T39 L40 L41 R116 | T39-T94 PolarHBondContact O-N 3.09Å; L40-T94 CarbonylContact C-O 3.57Å; L40-T94 WeakPolarHBondContact CA-O 3.2Å; L40-T94 HydrophobicContact CD1-CG2 3.63Å; L41-T94 PolarHBondContact N-O 2.93Å; T94-R116 CarbonylContact C-O 3.55Å; T94-R116 WeakPolarHBondContact CA-O 3.42Å; T94-R116 HydrophobicContact CG2-CB 4.14Å; T94-R116 HydrophobicContact CG2-CG 4.08Å |
| 95 | V | 94.2 | Very high | 82.9 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 118.8 | 175.9 | -174 | 0 | 0 | 0 | 0 | 108.8 | L41 L93 L103 L107 L115 R116 L117 S118 | L41-V95 HydrophobicContact CB-CG2 4.48Å; L41-V95 WeakPolarHBondContact O-CA 3.42Å; L93-V95 HydrophobicContact CD1-CG2 4.36Å; L93-V95 HydrophobicContact CD2-CG2 4.12Å; L93-V95 HydrophobicContact CG-CG2 3.93Å; V95-L103 HydrophobicContact CG1-CD2 4.16Å; V95-L107 HydrophobicContact CG2-CD1 4.33Å; V95-L107 HydrophobicContact CG2-CD2 4.37Å; V95-L115 HydrophobicContact CG2-CD1 4.36Å; V95-R116 PolarHBondContact N-O 2.85Å; V95-L117 HydrophobicContact CB-CD2 3.89Å; V95-L117 HydrophobicContact CG2-CD2 4.25Å; V95-L117 WeakPolarHBondContact O-CA 3.24Å; V95-S118 PolarHBondContact O-N 3.11Å |
| 96 | W | 93.7 | Very high | 83.8 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 2% | 0.023 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 130.2 | 168.3 | -57.8 | -16.1 | 0 | 0 | 0 | 108.8 | L40 L41 F42 I60 Q61 D62 D64 E65 A68 S118 | L40-W96 HydrophobicContact CD1-CD2 3.68Å; L40-W96 HydrophobicContact CD1-CE3 4.2Å; L40-W96 HydrophobicContact CD1-CG 3.96Å; L40-W96 HydrophobicContact CD1-CZ2 4.02Å; L40-W96 HydrophobicContact CD2-CE3 4.37Å; L40-W96 HydrophobicContact CD2-CH2 3.8Å; L40-W96 HydrophobicContact CD2-CZ2 3.94Å; L40-W96 HydrophobicContact CD2-CZ3 4.01Å; L41-W96 PolarHBondContact O-N 3.15Å; F42-W96 WeakPolarHBondContact CA-O 3.11Å; F42-W96 HydrophobicContact CB-CB 3.85Å; F42-W96 HydrophobicContact CB-CE3 4.31Å; F42-W96 HydrophobicContact CD1-CE3 4.12Å; F42-W96 HydrophobicContact CG-CE3 4.25Å; I60-W96 HydrophobicContact CB-CH2 4.13Å; I60-W96 HydrophobicContact CB-CZ2 4.19Å; I60-W96 HydrophobicContact CG2-CH2 3.72Å; I60-W96 HydrophobicContact CG2-CZ2 4.21Å; Q61-W96 VanDerWaalsContact O-CH2 3.3Å; Q61-W96 WeakPolarHBondContact O-CH2 3.13Å; Q61-W96 WeakPolarHBondContact O-CZ2 3.38Å; D62-W96 PolarHBondContact OD1-NE1 3.44Å; D64-W96 WeakPolarHBondContact O-CZ3 3.42Å; E65-W96 HydrophobicContact CG-CE3 4.29Å; E65-W96 HydrophobicContact CG-CZ3 4.34Å; A68-W96 HydrophobicContact CB-CH2 3.93Å; A68-W96 HydrophobicContact CB-CZ3 3.87Å; W96-S118 WeakPolarHBondContact CA-O 3.5Å |
| 97 | L | 88.3 | Confident | 84.8 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.6 | -175.1 | 58.7 | 132.3 | 0 | 0 | 0 | 111.5 | P100 L103 S118 F119 C120 L193 | L97-P100 HydrophobicContact CD1-CB 4.42Å; L97-L103 HydrophobicContact CD1-CD1 3.73Å; L97-L103 HydrophobicContact CD1-CG 4.12Å; L97-L103 HydrophobicContact CD2-CD1 3.76Å; L97-L103 HydrophobicContact CD2-CD2 3.92Å; L97-L103 HydrophobicContact CD2-CG 3.95Å; L97-L103 HydrophobicContact CG-CD1 4.36Å; L97-L103 HydrophobicContact CG-CG 4.5Å; L97-S118 WeakPolarHBondContact CD2-O 3.37Å; L97-S118 PolarHBondContact N-O 2.82Å; L97-F119 HydrophobicContact CD1-CD2 3.8Å; L97-F119 HydrophobicContact CG-CD2 4.28Å; L97-C120 PolarHBondContact O-N 2.89Å; L97-L193 HydrophobicContact CD1-CD1 4.19Å; L97-L193 HydrophobicContact CD2-CD1 4.23Å |
| 98 | R | 85.6 | Confident | 85.3 | Confident | 88 Ų | 88 | 42 Ų | 42 | 33% | 0.332 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -98.6 | -39.8 | 168.1 | -64.4 | 178.7 | -175.5 | -174.2 | 1.8 | 110.6 | E65 F119 | E65-R98 IonicContact OE1-CZ 3.36Å; E65-R98 IonicContact OE1-NE 3.21Å; E65-R98 PolarHBondContact OE1-NE 3.31Å; E65-R98 IonicContact OE1-NH2 2.7Å; E65-R98 PolarHBondContact OE1-NH2 3.49Å; E65-R98 IonicContact OE2-CZ 3.99Å; E65-R98 IonicContact OE2-NH2 2.9Å; E65-R98 PolarHBondContact OE2-NH2 3.47Å; R98-F119 VanDerWaalsContact O-CE2 3.3Å; R98-F119 WeakPolarHBondContact O-CE2 3.4Å |
| 99 | E | 83 | Confident | 85.6 | Confident | 84 Ų | 84 | 36.8 Ų | 36.8 | 39% | 0.393 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -108 | 121.6 | 177.2 | -66 | 75.6 | -141.5 | 0 | 0 | 112.2 | W101 V102 | E99-W101 VanDerWaalsContact C-N 3.3Å; E99-W101 HydrophobicContact CB-CG 4.48Å; E99-W101 VanDerWaalsContact CB-NE1 3.27Å; E99-W101 PolarHBondContact O-N 3Å; E99-V102 HydrophobicContact CB-CG2 4.1Å; E99-V102 WeakPolarHBondContact O-CB 3.03Å; E99-V102 PolarHBondContact O-N 3.11Å |
| 100 | P | 80.8 | Confident | 86.2 | Confident | 15 Ų | 15 | 34.5 Ų | 34.5 | 10% | 0.097 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -30.4 | -175 | -21.4 | 29.2 | 0 | 0 | 0 | 115.3 | L97 V102 L103 F119 I127 | L97-P100 HydrophobicContact CD1-CB 4.42Å; P100-V102 PolarHBondContact O-N 3.14Å; P100-L103 WeakPolarHBondContact O-CB 3.02Å; P100-L103 PolarHBondContact O-N 3.14Å; P100-L103 VanDerWaalsContact O-N 3.16Å; P100-F119 HydrophobicContact CG-CE2 4.11Å; P100-I127 HydrophobicContact CB-CB 4.43Å; P100-I127 HydrophobicContact CB-CD1 4.1Å; P100-I127 HydrophobicContact CB-CG1 4.07Å; P100-I127 HydrophobicContact CB-CG2 3.62Å; P100-I127 HydrophobicContact CG-CB 4.27Å; P100-I127 HydrophobicContact CG-CD1 3.72Å; P100-I127 HydrophobicContact CG-CG1 3.5Å; P100-I127 VanDerWaalsContact CG-CG1 3.5Å; P100-I127 HydrophobicContact CG-CG2 3.99Å |
| 101 | W | 80.1 | Confident | 87.2 | Confident | 128 Ų | 128 | 28.4 Ų | 28.4 | 49% | 0.485 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.9 | -23.4 | -177.7 | 62.3 | -97.5 | 0 | 0 | 0 | 112.8 | E99 L103 T104 E105 | E99-W101 VanDerWaalsContact C-N 3.3Å; E99-W101 HydrophobicContact CB-CG 4.48Å; E99-W101 VanDerWaalsContact CB-NE1 3.27Å; E99-W101 PolarHBondContact O-N 3Å; W101-L103 PolarHBondContact O-N 2.98Å; W101-T104 PolarHBondContact O-N 2.94Å; W101-E105 WeakPolarHBondContact CZ3-OE2 3.38Å |
| 102 | V | 84.3 | Confident | 87.7 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.6 | -29.2 | 177.6 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | E99 P100 T104 E105 L106 | E99-V102 HydrophobicContact CB-CG2 4.1Å; E99-V102 WeakPolarHBondContact O-CB 3.03Å; E99-V102 PolarHBondContact O-N 3.11Å; P100-V102 PolarHBondContact O-N 3.14Å; V102-T104 VanDerWaalsContact C-N 3.34Å; V102-T104 PolarHBondContact O-N 2.82Å; V102-E105 PolarHBondContact O-N 2.85Å; V102-L106 HydrophobicContact CG1-CD1 3.53Å; V102-L106 HydrophobicContact CG1-CG 3.91Å; V102-L106 VanDerWaalsContact O-CG 3.31Å; V102-L106 WeakPolarHBondContact O-CG 3.33Å; V102-L106 PolarHBondContact O-N 3.45Å |
| 103 | L | 88.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 177.6 | -76.3 | 169 | 0 | 0 | 0 | 112.7 | V95 L97 P100 W101 E105 L106 L107 L117 L132 L193 | V95-L103 HydrophobicContact CG1-CD2 4.16Å; L97-L103 HydrophobicContact CD1-CD1 3.73Å; L97-L103 HydrophobicContact CD1-CG 4.12Å; L97-L103 HydrophobicContact CD2-CD1 3.76Å; L97-L103 HydrophobicContact CD2-CD2 3.92Å; L97-L103 HydrophobicContact CD2-CG 3.95Å; L97-L103 HydrophobicContact CG-CD1 4.36Å; L97-L103 HydrophobicContact CG-CG 4.5Å; P100-L103 WeakPolarHBondContact O-CB 3.02Å; P100-L103 PolarHBondContact O-N 3.14Å; P100-L103 VanDerWaalsContact O-N 3.16Å; W101-L103 PolarHBondContact O-N 2.98Å; L103-E105 VanDerWaalsContact C-N 3.31Å; L103-E105 PolarHBondContact O-N 2.62Å; L103-L106 PolarHBondContact O-N 3.01Å; L103-L107 HydrophobicContact CD2-CD1 3.53Å; L103-L107 HydrophobicContact CD2-CG 4.39Å; L103-L107 WeakPolarHBondContact O-CB 3.25Å; L103-L107 PolarHBondContact O-N 3.2Å; L103-L117 HydrophobicContact CD2-CD1 4.41Å; L103-L117 HydrophobicContact CD2-CD2 3.7Å; L103-L132 HydrophobicContact CB-CD2 4.27Å; L103-L193 HydrophobicContact CD1-CD1 3.34Å |
| 104 | T | 84.6 | Confident | 87.7 | Confident | 41 Ų | 41 | 29.8 Ų | 29.8 | 25% | 0.252 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.3 | -37.9 | 179.8 | -53.3 | 0 | 0 | 0 | 0 | 110.6 | W101 V102 N108 | W101-T104 PolarHBondContact O-N 2.94Å; V102-T104 VanDerWaalsContact C-N 3.34Å; V102-T104 PolarHBondContact O-N 2.82Å; T104-N108 HydrophobicContact CG2-CB 4.15Å; T104-N108 WeakPolarHBondContact O-CB 3.42Å; T104-N108 PolarHBondContact O-N 3.5Å |
| 105 | E | 84.5 | Confident | 87.7 | Confident | 63 Ų | 63 | 29.1 Ų | 29.1 | 29% | 0.294 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 175.9 | -171.6 | -173.5 | 161 | 0 | 0 | 111.8 | R79 G85 W101 V102 L103 | R79-E105 IonicContact NH1-OE1 3.9Å; R79-E105 IonicContact NH1-OE2 3.01Å; R79-E105 PolarHBondContact NH1-OE2 2.03Å; G85-E105 PolarHBondContact N-O 2.9Å; W101-E105 WeakPolarHBondContact CZ3-OE2 3.38Å; V102-E105 PolarHBondContact O-N 2.85Å; L103-E105 VanDerWaalsContact C-N 3.31Å; L103-E105 PolarHBondContact O-N 2.62Å |
| 106 | L | 86.9 | Confident | 87.8 | Confident | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -82.8 | -43.8 | -172.8 | -63.6 | -179.7 | 0 | 0 | 0 | 113.7 | L51 L82 L87 V102 L103 S110 | L51-L106 HydrophobicContact CD1-CD1 3.76Å; L51-L106 HydrophobicContact CD1-CD2 3.55Å; L51-L106 HydrophobicContact CD1-CG 4.31Å; L51-L106 HydrophobicContact CD2-CD1 4.19Å; L82-L106 HydrophobicContact CD1-CD2 3.73Å; L87-L106 HydrophobicContact CD1-CB 4.47Å; V102-L106 HydrophobicContact CG1-CD1 3.53Å; V102-L106 HydrophobicContact CG1-CG 3.91Å; V102-L106 VanDerWaalsContact O-CG 3.31Å; V102-L106 WeakPolarHBondContact O-CG 3.33Å; V102-L106 PolarHBondContact O-N 3.45Å; L103-L106 PolarHBondContact O-N 3.01Å; L106-S110 PolarHBondContact O-OG 2.85Å |
| 107 | L | 91.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -105.9 | -19.6 | -164.7 | -63.3 | -179.7 | 0 | 0 | 0 | 114.2 | L87 L93 V95 L103 G109 S110 L115 L117 L134 | L87-L107 HydrophobicContact CD1-CD2 3.99Å; L93-L107 HydrophobicContact CD2-CD2 3.71Å; V95-L107 HydrophobicContact CG2-CD1 4.33Å; V95-L107 HydrophobicContact CG2-CD2 4.37Å; L103-L107 HydrophobicContact CD2-CD1 3.53Å; L103-L107 HydrophobicContact CD2-CG 4.39Å; L103-L107 WeakPolarHBondContact O-CB 3.25Å; L103-L107 PolarHBondContact O-N 3.2Å; L107-G109 PolarHBondContact O-N 3.26Å; L107-S110 WeakPolarHBondContact CA-OG 3.48Å; L107-S110 WeakPolarHBondContact O-CB 3.41Å; L107-S110 PolarHBondContact O-N 2.87Å; L107-S110 PolarHBondContact O-OG 2.79Å; L107-L115 HydrophobicContact CD1-CD1 4.22Å; L107-L115 HydrophobicContact CD1-CD2 4.19Å; L107-L117 HydrophobicContact CD1-CD2 3.74Å; L107-L134 HydrophobicContact CB-CD2 4.14Å |
| 108 | N | 91.1 | Very high | 88.1 | Confident | 50 Ų | 50 | 29.5 Ų | 29.5 | 27% | 0.267 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 102.4 | -173.4 | -172.2 | 29.7 | 0 | 0 | 0 | 112 | G85 T104 L132 A133 | G85-N108 WeakPolarHBondContact CA-O 3.35Å; T104-N108 HydrophobicContact CG2-CB 4.15Å; T104-N108 WeakPolarHBondContact O-CB 3.42Å; T104-N108 PolarHBondContact O-N 3.5Å; N108-L132 HydrophobicContact CB-CB 4.45Å; N108-A133 PolarHBondContact OD1-N 3.2Å |
| 109 | G | 87.6 | Confident | 88.3 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 108.9 | -4.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G85 L107 A133 F135 P220 | G85-G109 CarbonylContact O-C 2.86Å; L107-G109 PolarHBondContact O-N 3.26Å; G109-A133 PolarHBondContact N-O 3.11Å; G109-F135 WeakPolarHBondContact O-CD2 3.42Å; G109-P220 VanDerWaalsContact CA-CG 3.41Å |
| 110 | S | 88.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -75.3 | 152.6 | -172.9 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | G85 L87 L106 L107 F135 | G85-S110 VanDerWaalsContact C-OG 3.27Å; G85-S110 VanDerWaalsContact O-CA 3.24Å; G85-S110 WeakPolarHBondContact O-CA 3.35Å; G85-S110 PolarHBondContact O-N 2.74Å; G85-S110 PolarHBondContact O-OG 2.8Å; L87-S110 PolarHBondContact N-OG 3.12Å; L87-S110 WeakPolarHBondContact O-CA 3.35Å; L87-S110 WeakPolarHBondContact O-CB 3Å; L106-S110 PolarHBondContact O-OG 2.85Å; L107-S110 WeakPolarHBondContact CA-OG 3.48Å; L107-S110 WeakPolarHBondContact O-CB 3.41Å; L107-S110 PolarHBondContact O-N 2.87Å; L107-S110 PolarHBondContact O-OG 2.79Å; S110-F135 PolarHBondContact O-N 2.85Å | ||
| 111 | V | 87.6 | Confident | 88.4 | Confident | 27 Ų | 27 | 22.5 Ų | 22.5 | 16% | 0.164 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 107.8 | 174 | -174.7 | 0 | 0 | 0 | 0 | 108 | L87 R88 E89 F135 L171 P222 | L87-V111 PolarHBondContact O-N 3.15Å; R88-V111 WeakPolarHBondContact CA-O 3.37Å; R88-V111 HydrophobicContact CG-CB 4.43Å; E89-V111 PolarHBondContact N-O 3.26Å; V111-F135 WeakPolarHBondContact CA-O 3.3Å; V111-F135 HydrophobicContact CB-CB 4.48Å; V111-F135 HydrophobicContact CG2-CB 3.99Å; V111-L171 HydrophobicContact CG2-CD1 4.35Å; V111-P222 HydrophobicContact CG2-CB 4.13Å |
| 112 | V | 87.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 124.7 | -175.6 | -176.5 | 0 | 0 | 0 | 0 | 109 | L93 L115 F135 G136 L137 | L93-V112 HydrophobicContact CB-CG1 3.73Å; L93-V112 HydrophobicContact CD2-CG1 4.24Å; L93-V112 HydrophobicContact CD2-CG2 3.81Å; V112-L115 HydrophobicContact CG1-CB 4Å; V112-L115 HydrophobicContact CG1-CD1 4.28Å; V112-F135 PolarHBondContact N-O 2.74Å; V112-F135 VanDerWaalsContact N-O 3.1Å; V112-G136 CarbonylContact O-C 3.56Å; V112-L137 VanDerWaalsContact O-CA 3.25Å; V112-L137 WeakPolarHBondContact O-CA 3.3Å; V112-L137 PolarHBondContact O-N 2.97Å |
| 113 | L | 88.4 | Confident | 86.9 | Confident | 36 Ų | 36 | 24.9 Ų | 24.9 | 19% | 0.188 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -51.7 | -178.9 | -60.3 | -178.6 | 0 | 0 | 0 | 111.9 | G136 R138 R139 | L113-G136 VanDerWaalsContact CD2-O 3.24Å; L113-G136 WeakPolarHBondContact CD2-O 3.5Å; L113-R138 PolarHBondContact O-N 2.8Å; L113-R139 PolarHBondContact O-N 2.9Å |
| 114 | D | 91.4 | Very high | 85.5 | Confident | 47 Ų | 47 | 30 Ų | 30 | 25% | 0.251 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 112.3 | -179.5 | -80.6 | 6.8 | 0 | 0 | 0 | 108.6 | G92 L93 R139 | G92-D114 WeakPolarHBondContact CA-O 3.37Å; L93-D114 PolarHBondContact N-O 2.81Å; D114-R139 WeakPolarHBondContact OD1-CB 3.23Å; D114-R139 IonicContact OD2-NH1 2.93Å; D114-R139 PolarHBondContact OD2-NH1 3.39Å |
| 115 | L | 94.8 | Very high | 84.2 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.6 | -177.2 | -177.7 | 62.3 | 0 | 0 | 0 | 110.9 | L93 V95 L107 V112 L117 L134 L137 R139 L140 R141 | L93-L115 HydrophobicContact CB-CD1 4.2Å; L93-L115 HydrophobicContact CD2-CD1 4.06Å; L93-L115 HydrophobicContact CG-CD1 4.13Å; L93-L115 CarbonylContact O-C 3.53Å; L93-L115 WeakPolarHBondContact O-CA 3.38Å; V95-L115 HydrophobicContact CG2-CD1 4.36Å; L107-L115 HydrophobicContact CD1-CD1 4.22Å; L107-L115 HydrophobicContact CD1-CD2 4.19Å; V112-L115 HydrophobicContact CG1-CB 4Å; V112-L115 HydrophobicContact CG1-CD1 4.28Å; L115-L117 HydrophobicContact CD1-CD2 3.75Å; L115-L117 HydrophobicContact CD1-CG 4.41Å; L115-L117 HydrophobicContact CD2-CD1 4.18Å; L115-L117 HydrophobicContact CD2-CD2 3.96Å; L115-L117 HydrophobicContact CD2-CG 4.03Å; L115-L117 HydrophobicContact CG-CD2 3.87Å; L115-L117 HydrophobicContact CG-CG 3.99Å; L115-L134 HydrophobicContact CD2-CD1 3.51Å; L115-L134 HydrophobicContact CD2-CD2 4.45Å; L115-L137 HydrophobicContact CB-CD1 3.61Å; L115-R139 PolarHBondContact N-O 3.2Å; L115-L140 HydrophobicContact CB-CD1 4.22Å; L115-L140 HydrophobicContact CD2-CD1 4Å; L115-L140 HydrophobicContact CG-CD1 4.11Å; L115-L140 CarbonylContact O-C 3.57Å; L115-L140 WeakPolarHBondContact O-CA 3.29Å; L115-R141 PolarHBondContact O-N 3.2Å |
| 116 | R | 95.4 | Very high | 83.6 | Confident | 22 Ų | 22 | 33.8 Ų | 33.8 | 8% | 0.083 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.2 | 166.7 | -179 | 176.8 | -173.6 | 150 | 3.1 | 109.5 | H59 D62 L93 T94 V95 R141 | H59-R116 PolarHBondContact CD2-NH1 2.83Å; H59-R116 PolarHBondContact NE2-NH1 3.4Å; H59-R116 PolarHBondContact NE2-NH2 3.44Å; D62-R116 IonicContact OD1-CZ 3.64Å; D62-R116 IonicContact OD1-NE 3.18Å; D62-R116 PolarHBondContact OD1-NE 2.84Å; D62-R116 IonicContact OD1-NH2 3.94Å; D62-R116 PolarHBondContact OD1-NH2 2.93Å; D62-R116 IonicContact OD2-CZ 3.05Å; D62-R116 VanDerWaalsContact OD2-CZ 3.29Å; D62-R116 IonicContact OD2-NE 3.29Å; D62-R116 PolarHBondContact OD2-NE 2.91Å; D62-R116 VanDerWaalsContact OD2-NE 3.09Å; D62-R116 IonicContact OD2-NH2 3.82Å; D62-R116 PolarHBondContact OD2-NH2 3.22Å; L93-R116 PolarHBondContact O-N 3.32Å; T94-R116 CarbonylContact C-O 3.55Å; T94-R116 WeakPolarHBondContact CA-O 3.42Å; T94-R116 HydrophobicContact CG2-CB 4.14Å; T94-R116 HydrophobicContact CG2-CG 4.08Å; V95-R116 PolarHBondContact N-O 2.85Å; R116-R141 CarbonylContact C-O 3.51Å; R116-R141 VanDerWaalsContact CA-O 3.27Å; R116-R141 WeakPolarHBondContact CA-O 3.4Å; R116-R141 HydrophobicContact CB-CB 4.23Å; R116-R141 HydrophobicContact CG-CB 4.07Å; R116-R141 HydrophobicContact CG-CG 4.13Å; R116-R141 VanDerWaalsContact NH2-CZ 3.35Å; R116-R141 VanDerWaalsContact NH2-NH2 3.17Å |
| 117 | L | 95.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.1 | 175.6 | -58.8 | -177.9 | 0 | 0 | 0 | 109.3 | V95 L103 L107 L115 L140 R141 V142 H143 L188 L193 | V95-L117 HydrophobicContact CB-CD2 3.89Å; V95-L117 HydrophobicContact CG2-CD2 4.25Å; V95-L117 WeakPolarHBondContact O-CA 3.24Å; L103-L117 HydrophobicContact CD2-CD1 4.41Å; L103-L117 HydrophobicContact CD2-CD2 3.7Å; L107-L117 HydrophobicContact CD1-CD2 3.74Å; L115-L117 HydrophobicContact CD1-CD2 3.75Å; L115-L117 HydrophobicContact CD1-CG 4.41Å; L115-L117 HydrophobicContact CD2-CD1 4.18Å; L115-L117 HydrophobicContact CD2-CD2 3.96Å; L115-L117 HydrophobicContact CD2-CG 4.03Å; L115-L117 HydrophobicContact CG-CD2 3.87Å; L115-L117 HydrophobicContact CG-CG 3.99Å; L117-L140 HydrophobicContact CD1-CD1 4.34Å; L117-L140 HydrophobicContact CG-CD1 4.36Å; L117-R141 PolarHBondContact N-O 3.29Å; L117-V142 CarbonylContact O-C 3.53Å; L117-V142 WeakPolarHBondContact O-CA 3.43Å; L117-H143 PolarHBondContact O-N 3.36Å; L117-L188 HydrophobicContact CD1-CD2 3.7Å; L117-L193 HydrophobicContact CB-CD2 3.91Å |
| 118 | S | 93.5 | Very high | 82.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 122.3 | 176.7 | -48.7 | 0 | 0 | 0 | 0 | 110.3 | D62 V95 W96 L97 H143 | D62-S118 PolarHBondContact OD1-OG 3.42Å; D62-S118 PolarHBondContact OD2-OG 3.29Å; V95-S118 PolarHBondContact O-N 3.11Å; W96-S118 WeakPolarHBondContact CA-O 3.5Å; L97-S118 WeakPolarHBondContact CD2-O 3.37Å; L97-S118 PolarHBondContact N-O 2.82Å; S118-H143 WeakPolarHBondContact CA-O 3.37Å |
| 119 | F | 90.8 | Very high | 82.2 | Confident | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.013 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 116.8 | 174 | -178.3 | -110.5 | 0 | 0 | 0 | 110.5 | L97 R98 P100 I127 H143 A145 A146 L193 | L97-F119 HydrophobicContact CD1-CD2 3.8Å; L97-F119 HydrophobicContact CG-CD2 4.28Å; R98-F119 VanDerWaalsContact O-CE2 3.3Å; R98-F119 WeakPolarHBondContact O-CE2 3.4Å; P100-F119 HydrophobicContact CG-CE2 4.11Å; F119-I127 HydrophobicContact CD2-CD1 4.12Å; F119-I127 HydrophobicContact CE2-CD1 4.28Å; F119-I127 HydrophobicContact CG-CD1 4.44Å; F119-H143 PolarHBondContact N-O 2.88Å; F119-A145 VanDerWaalsContact O-CB 3.27Å; F119-A145 WeakPolarHBondContact O-CB 3.38Å; F119-A145 PolarHBondContact O-N 3.1Å; F119-A146 HydrophobicContact CD1-CB 4.3Å; F119-A146 HydrophobicContact CE1-CB 4.46Å; F119-L193 HydrophobicContact CB-CB 4.37Å; F119-L193 HydrophobicContact CB-CD2 4.15Å |
| 120 | C | 87.4 | Confident | 82.2 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 14% | 0.142 | 26% | 0.261 | C | S | . | . | trans | -113 | 9.6 | -174.4 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | C63 L97 | C63-C120 WeakPolarHBondContact CA-SG 3.16Å; C63-C120 HydrophobicContact CB-CB 3.61Å; C63-C120 WeakPolarHBondContact CB-SG 3.25Å; C63-C120 WeakPolarHBondContact SG-CA 3.38Å; C63-C120 WeakPolarHBondContact SG-CB 3.33Å; C63-C120 CovalentContact SG-SG 2.03Å; C63-C120 PolarHBondContact SG-SG 2.88Å; L97-C120 PolarHBondContact O-N 2.89Å | ||
| 121 | G | 77.6 | Confident | 82.3 | Confident | 15 Ų | 15 | 49 Ų | 49 | 16% | 0.155 | 29% | 0.287 | C | S | . | . | trans | -71.5 | 146.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G123 | G121-G123 VanDerWaalsContact C-N 3.28Å; G121-G123 PolarHBondContact O-N 3.5Å | ||
| 122 | T | 70 | Confident | 82.5 | Confident | 159 Ų | 159 | 47.7 Ų | 47.7 | 98% | 0.975 | 28% | 0.279 | S | S | * | . | trans | -87.9 | 18.3 | -177.1 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 123 | G | 62.2 | Low | 82.7 | Confident | 23 Ų | 23 | 47.9 Ų | 47.9 | 24% | 0.237 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -118.2 | 159.3 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G121 L125 | G121-G123 VanDerWaalsContact C-N 3.28Å; G121-G123 PolarHBondContact O-N 3.5Å; G123-L125 PolarHBondContact O-N 2.92Å; G123-L125 VanDerWaalsContact O-N 3.11Å |
| 124 | T | 59.3 | Low | 82.9 | Confident | 109 Ų | 109 | 46.1 Ų | 46.1 | 67% | 0.669 | 27% | 0.272 | S | S | * | . | trans | -76.8 | 27.4 | 169.1 | 50 | 0 | 0 | 0 | 0 | 112.8 | A126 Q147 | T124-A126 PolarHBondContact O-N 3.13Å; T124-A126 VanDerWaalsContact O-N 3.15Å; T124-Q147 HydrophobicContact CG2-CB 4.28Å | ||
| 125 | L | 57.8 | Low | 82.7 | Confident | 105 Ų | 105 | 44.1 Ų | 44.1 | 55% | 0.55 | 26% | 0.261 | S | S | . | . | trans | -70 | 116.5 | -172.9 | -96.4 | 80 | 0 | 0 | 0 | 110 | G123 I127 N194 | G123-L125 PolarHBondContact O-N 2.92Å; G123-L125 VanDerWaalsContact O-N 3.11Å; L125-I127 PolarHBondContact O-N 2.88Å; L125-I127 VanDerWaalsContact O-N 3.11Å; L125-N194 PolarHBondContact O-OD1 3.02Å | ||
| 126 | A | 70.8 | Confident | 82.3 | Confident | 79 Ų | 79 | 44.9 Ų | 44.9 | 65% | 0.653 | 27% | 0.27 | S | S | * | . | trans | -70.1 | 100.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | T124 P128 | T124-A126 PolarHBondContact O-N 3.13Å; T124-A126 VanDerWaalsContact O-N 3.15Å; A126-P128 WeakPolarHBondContact O-CD 3.4Å; A126-P128 VanDerWaalsContact O-N 3.14Å | ||
| 127 | I | 77.5 | Confident | 82.1 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | trans | -58.2 | 116.8 | 171.3 | -56.7 | 176.6 | 0 | 0 | 0 | 106.5 | P100 F119 L125 V190 L193 N194 | P100-I127 HydrophobicContact CB-CB 4.43Å; P100-I127 HydrophobicContact CB-CD1 4.1Å; P100-I127 HydrophobicContact CB-CG1 4.07Å; P100-I127 HydrophobicContact CB-CG2 3.62Å; P100-I127 HydrophobicContact CG-CB 4.27Å; P100-I127 HydrophobicContact CG-CD1 3.72Å; P100-I127 HydrophobicContact CG-CG1 3.5Å; P100-I127 VanDerWaalsContact CG-CG1 3.5Å; P100-I127 HydrophobicContact CG-CG2 3.99Å; F119-I127 HydrophobicContact CD2-CD1 4.12Å; F119-I127 HydrophobicContact CE2-CD1 4.28Å; F119-I127 HydrophobicContact CG-CD1 4.44Å; L125-I127 PolarHBondContact O-N 2.88Å; L125-I127 VanDerWaalsContact O-N 3.11Å; I127-V190 HydrophobicContact CG2-CG2 3.76Å; I127-L193 HydrophobicContact CD1-CB 3.49Å; I127-L193 VanDerWaalsContact CD1-CB 3.49Å; I127-N194 VanDerWaalsContact CB-OD1 3.29Å; I127-N194 WeakPolarHBondContact CB-OD1 3.44Å; I127-N194 WeakPolarHBondContact CG1-OD1 3.28Å; I127-N194 PolarHBondContact N-ND2 3.34Å; I127-N194 PolarHBondContact N-OD1 2.95Å; I127-N194 PolarHBondContact O-ND2 3.16Å | ||
| 128 | P | 80.8 | Confident | 81.9 | Confident | 76 Ų | 76 | 48 Ų | 48 | 49% | 0.494 | 28% | 0.282 | S | S | . | . | trans | -65.4 | 152.3 | 179.6 | 28.3 | -34.7 | 0 | 0 | 0 | 109.7 | A126 Q130 | A126-P128 WeakPolarHBondContact O-CD 3.4Å; A126-P128 VanDerWaalsContact O-N 3.14Å; P128-Q130 HydrophobicContact CG-CG 4.45Å; P128-Q130 PolarHBondContact O-N 3.35Å | ||
| 129 | T | 82.8 | Confident | 81.9 | Confident | 84 Ų | 84 | 53.6 Ų | 53.6 | 52% | 0.515 | 30% | 0.303 | S | S | . | . | trans | -57.9 | 114.9 | 172.5 | -63.4 | 0 | 0 | 0 | 0 | 109.6 | Y131 D189 | T129-Y131 HydrophobicContact CG2-CD2 4.4Å; T129-Y131 HydrophobicContact CG2-CE2 3.59Å; T129-D189 WeakPolarHBondContact CA-OD1 3.5Å; T129-D189 WeakPolarHBondContact CG2-OD2 3.5Å | ||
| 130 | Q | 87.9 | Confident | 82.1 | Confident | 75 Ų | 75 | 53.5 Ų | 53.5 | 35% | 0.35 | 30% | 0.302 | S | S | . | . | trans | -139.4 | 143.2 | 172 | -58.4 | 180 | 15.4 | 0 | 0 | 107.1 | P128 D189 V190 | P128-Q130 HydrophobicContact CG-CG 4.45Å; P128-Q130 PolarHBondContact O-N 3.35Å; Q130-D189 WeakPolarHBondContact O-CA 3.18Å; Q130-V190 HydrophobicContact CB-CG2 3.73Å; Q130-V190 HydrophobicContact CG-CG2 4.47Å; Q130-V190 WeakPolarHBondContact O-CG2 3.28Å; Q130-V190 PolarHBondContact O-N 3.35Å | ||
| 131 | Y | 90 | Very high | 82.5 | Confident | 138 Ų | 138 | 55.9 Ų | 55.9 | 54% | 0.541 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.4 | -177.9 | -64.6 | -85.2 | 0 | 0 | 0 | 110.1 | T129 L188 D189 | T129-Y131 HydrophobicContact CG2-CD2 4.4Å; T129-Y131 HydrophobicContact CG2-CE2 3.59Å; Y131-L188 WeakPolarHBondContact CA-O 3.27Å; Y131-D189 HydrophobicContact CD1-CB 4.1Å; Y131-D189 HydrophobicContact CE1-CB 3.72Å |
| 132 | L | 91.5 | Very high | 83.3 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 143.7 | 166.6 | 64.4 | 83.7 | 0 | 0 | 0 | 109.8 | L103 N108 L134 F187 L188 V190 | L103-L132 HydrophobicContact CB-CD2 4.27Å; N108-L132 HydrophobicContact CB-CB 4.45Å; L132-L134 HydrophobicContact CD1-CD1 3.44Å; L132-L134 VanDerWaalsContact CD1-CD1 3.44Å; L132-L134 HydrophobicContact CD1-CD2 3.94Å; L132-L134 HydrophobicContact CD1-CG 3.33Å; L132-F187 WeakPolarHBondContact O-CA 3.34Å; L132-L188 HydrophobicContact CD1-CB 3.73Å; L132-L188 HydrophobicContact CD1-CD2 4.05Å; L132-L188 HydrophobicContact CD1-CG 4.37Å; L132-L188 HydrophobicContact CD2-CD2 4.2Å; L132-L188 HydrophobicContact CG-CB 3.93Å; L132-L188 HydrophobicContact CG-CD2 4.28Å; L132-L188 HydrophobicContact CG-CG 4.35Å; L132-L188 PolarHBondContact N-O 3.16Å; L132-L188 PolarHBondContact O-N 3.04Å; L132-V190 HydrophobicContact CD2-CG1 3.56Å; L132-V190 HydrophobicContact CG-CG1 4.09Å |
| 133 | A | 92.2 | Very high | 84.5 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110 | N108 G109 S186 F187 L219 P220 | N108-A133 PolarHBondContact OD1-N 3.2Å; G109-A133 PolarHBondContact N-O 3.11Å; A133-S186 CarbonylContact C-O 3.57Å; A133-S186 WeakPolarHBondContact CA-O 3.45Å; A133-F187 HydrophobicContact CB-CD1 4.36Å; A133-F187 HydrophobicContact CB-CE1 4.29Å; A133-L219 HydrophobicContact CB-CD1 3.72Å; A133-P220 HydrophobicContact CB-CG 4.01Å |
| 134 | L | 92.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 146.3 | 175.3 | -67.5 | 166 | 0 | 0 | 0 | 110 | L107 L115 L132 L137 V185 S186 | L107-L134 HydrophobicContact CB-CD2 4.14Å; L115-L134 HydrophobicContact CD2-CD1 3.51Å; L115-L134 HydrophobicContact CD2-CD2 4.45Å; L132-L134 HydrophobicContact CD1-CD1 3.44Å; L132-L134 VanDerWaalsContact CD1-CD1 3.44Å; L132-L134 HydrophobicContact CD1-CD2 3.94Å; L132-L134 HydrophobicContact CD1-CG 3.33Å; L134-L137 HydrophobicContact CB-CB 4.39Å; L134-L137 HydrophobicContact CD1-CD1 4.41Å; L134-L137 HydrophobicContact CD1-CD2 3.88Å; L134-V185 CarbonylContact O-C 3.54Å; L134-V185 WeakPolarHBondContact O-CA 3.44Å; L134-S186 PolarHBondContact N-O 2.89Å; L134-S186 PolarHBondContact O-N 2.77Å |
| 135 | F | 87.9 | Confident | 86.7 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133.1 | 177.3 | -66.8 | -86.2 | 0 | 0 | 0 | 110.9 | G109 S110 V111 V112 L137 L183 H184 V185 L219 P220 P222 | G109-F135 WeakPolarHBondContact O-CD2 3.42Å; S110-F135 PolarHBondContact O-N 2.85Å; V111-F135 WeakPolarHBondContact CA-O 3.3Å; V111-F135 HydrophobicContact CB-CB 4.48Å; V111-F135 HydrophobicContact CG2-CB 3.99Å; V112-F135 PolarHBondContact N-O 2.74Å; V112-F135 VanDerWaalsContact N-O 3.1Å; F135-L137 VanDerWaalsContact C-N 3.32Å; F135-L137 PolarHBondContact O-N 3.45Å; F135-L183 HydrophobicContact CD1-CD1 4.04Å; F135-L183 HydrophobicContact CE1-CD1 4.44Å; F135-H184 WeakPolarHBondContact CA-O 3.14Å; F135-V185 HydrophobicContact CD1-CG2 3.85Å; F135-V185 HydrophobicContact CE1-CB 4.42Å; F135-V185 HydrophobicContact CE1-CG1 4.16Å; F135-V185 HydrophobicContact CE1-CG2 3.57Å; F135-V185 HydrophobicContact CZ-CG1 4.45Å; F135-L219 HydrophobicContact CZ-CD2 4.31Å; F135-L219 HydrophobicContact CZ-CG 4.37Å; F135-P220 VanDerWaalsContact CE2-O 3.29Å; F135-P220 WeakPolarHBondContact CE2-O 3.3Å; F135-P220 WeakPolarHBondContact CZ-O 3.42Å; F135-P222 HydrophobicContact CD1-CG 4.25Å; F135-P222 HydrophobicContact CD2-CB 4.36Å; F135-P222 HydrophobicContact CD2-CG 4.44Å; F135-P222 HydrophobicContact CE1-CG 4.18Å; F135-P222 HydrophobicContact CE2-CG 4.37Å; F135-P222 HydrophobicContact CG-CG 4.39Å; F135-P222 HydrophobicContact CZ-CG 4.26Å |
| 136 | G | 86.2 | Confident | 87.8 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 22% | 0.216 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 76.4 | 9.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116 | V112 L113 R138 H184 | V112-G136 CarbonylContact O-C 3.56Å; L113-G136 VanDerWaalsContact CD2-O 3.24Å; L113-G136 WeakPolarHBondContact CD2-O 3.5Å; G136-R138 PolarHBondContact O-N 3.25Å; G136-H184 PolarHBondContact N-O 2.97Å |
| 137 | L | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -61.4 | 118.8 | -176.1 | -175.2 | 70.8 | 0 | 0 | 0 | 112.4 | V112 L115 L134 F135 R139 L140 I158 H184 I244 | V112-L137 VanDerWaalsContact O-CA 3.25Å; V112-L137 WeakPolarHBondContact O-CA 3.3Å; V112-L137 PolarHBondContact O-N 2.97Å; L115-L137 HydrophobicContact CB-CD1 3.61Å; L134-L137 HydrophobicContact CB-CB 4.39Å; L134-L137 HydrophobicContact CD1-CD1 4.41Å; L134-L137 HydrophobicContact CD1-CD2 3.88Å; F135-L137 VanDerWaalsContact C-N 3.32Å; F135-L137 PolarHBondContact O-N 3.45Å; L137-R139 WeakPolarHBondContact CD1-O 3.21Å; L137-L140 HydrophobicContact CD2-CB 4.3Å; L137-I158 HydrophobicContact CD2-CD1 4.24Å; L137-I158 HydrophobicContact CG-CD1 4.36Å; L137-I158 WeakPolarHBondContact O-CD1 3.39Å; L137-H184 PolarHBondContact O-CE1 2.98Å; L137-H184 PolarHBondContact O-ND1 3.11Å; L137-I244 HydrophobicContact CD2-CD1 3.76Å | ||
| 138 | R | 90.5 | Very high | 88.4 | Confident | 88 Ų | 88 | 48.1 Ų | 48.1 | 33% | 0.332 | 26% | 0.256 | S | S | . | . | trans | -104.8 | -36.7 | 178.1 | -63.8 | 176.1 | 179 | -176.4 | -3.2 | 112.3 | L113 G136 T157 I158 | L113-R138 PolarHBondContact O-N 2.8Å; G136-R138 PolarHBondContact O-N 3.25Å; R138-T157 CarbonylContact O-C 3.56Å; R138-T157 WeakPolarHBondContact O-CA 3.49Å; R138-I158 PolarHBondContact O-N 3.11Å | ||
| 139 | R | 93.2 | Very high | 88.6 | Confident | 117 Ų | 117 | 45 Ų | 45 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 130.3 | -179.5 | -173.4 | -179.8 | -73.7 | 140 | -9.7 | 110.2 | L113 D114 L115 L137 V155 L156 | L113-R139 PolarHBondContact O-N 2.9Å; D114-R139 WeakPolarHBondContact OD1-CB 3.23Å; D114-R139 IonicContact OD2-NH1 2.93Å; D114-R139 PolarHBondContact OD2-NH1 3.39Å; L115-R139 PolarHBondContact N-O 3.2Å; L137-R139 WeakPolarHBondContact CD1-O 3.21Å; R139-V155 HydrophobicContact CG-CG1 4.27Å; R139-L156 WeakPolarHBondContact CA-O 3.38Å |
| 140 | L | 96.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.2 | 170.7 | 178.5 | 64.7 | 0 | 0 | 0 | 109 | L115 L117 L137 V142 V155 L156 L188 L199 I244 | L115-L140 HydrophobicContact CB-CD1 4.22Å; L115-L140 HydrophobicContact CD2-CD1 4Å; L115-L140 HydrophobicContact CG-CD1 4.11Å; L115-L140 CarbonylContact O-C 3.57Å; L115-L140 WeakPolarHBondContact O-CA 3.29Å; L117-L140 HydrophobicContact CD1-CD1 4.34Å; L117-L140 HydrophobicContact CG-CD1 4.36Å; L137-L140 HydrophobicContact CD2-CB 4.3Å; L140-V142 HydrophobicContact CD1-CG2 4.22Å; L140-V142 HydrophobicContact CD2-CG2 4Å; L140-V142 HydrophobicContact CG-CG2 3.88Å; L140-V155 CarbonylContact O-C 3.56Å; L140-V155 WeakPolarHBondContact O-CA 3.24Å; L140-L156 HydrophobicContact CB-CB 4.42Å; L140-L156 PolarHBondContact N-O 3.1Å; L140-L156 PolarHBondContact O-N 2.78Å; L140-L188 HydrophobicContact CD1-CD2 4.29Å; L140-L188 HydrophobicContact CD2-CD1 3.66Å; L140-L188 HydrophobicContact CD2-CD2 4.11Å; L140-L199 HydrophobicContact CD2-CD1 4.48Å; L140-L199 HydrophobicContact CD2-CD2 4.29Å; L140-I244 HydrophobicContact CD2-CD1 4.23Å; L140-I244 HydrophobicContact CD2-CG2 3.91Å |
| 141 | R | 95.9 | Very high | 88.8 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 27% | 0.268 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 131.7 | 165.7 | -178.5 | 168 | 179.9 | 178.8 | -4.5 | 108.7 | L115 R116 L117 E153 Q154 V155 | L115-R141 PolarHBondContact O-N 3.2Å; R116-R141 CarbonylContact C-O 3.51Å; R116-R141 VanDerWaalsContact CA-O 3.27Å; R116-R141 WeakPolarHBondContact CA-O 3.4Å; R116-R141 HydrophobicContact CB-CB 4.23Å; R116-R141 HydrophobicContact CG-CB 4.07Å; R116-R141 HydrophobicContact CG-CG 4.13Å; R116-R141 VanDerWaalsContact NH2-CZ 3.35Å; R116-R141 VanDerWaalsContact NH2-NH2 3.17Å; L117-R141 PolarHBondContact N-O 3.29Å; R141-E153 IonicContact CZ-OE1 3.07Å; R141-E153 IonicContact CZ-OE2 2.97Å; R141-E153 IonicContact NE-OE1 3.03Å; R141-E153 PolarHBondContact NE-OE1 3.37Å; R141-E153 IonicContact NE-OE2 2.94Å; R141-E153 IonicContact NH1-OE1 3.09Å; R141-E153 IonicContact NH2-OE1 2.72Å; R141-E153 PolarHBondContact NH2-OE1 2.78Å; R141-E153 IonicContact NH2-OE2 2.66Å; R141-E153 PolarHBondContact NH2-OE2 3.42Å; R141-Q154 CarbonylContact C-O 3.56Å; R141-Q154 WeakPolarHBondContact CA-O 3.44Å; R141-V155 HydrophobicContact CB-CG2 4.22Å; R141-V155 HydrophobicContact CG-CG2 3.92Å |
| 142 | V | 94.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.3 | 177.3 | -175.6 | 0 | 0 | 0 | 0 | 108 | L117 L140 E153 Q154 V192 L193 L199 | L117-V142 CarbonylContact O-C 3.53Å; L117-V142 WeakPolarHBondContact O-CA 3.43Å; L140-V142 HydrophobicContact CD1-CG2 4.22Å; L140-V142 HydrophobicContact CD2-CG2 4Å; L140-V142 HydrophobicContact CG-CG2 3.88Å; V142-E153 WeakPolarHBondContact O-CA 3.19Å; V142-Q154 PolarHBondContact N-O 2.82Å; V142-Q154 PolarHBondContact O-N 2.83Å; V142-V192 HydrophobicContact CG1-CG2 4.29Å; V142-V192 HydrophobicContact CG2-CG2 4.12Å; V142-L193 HydrophobicContact CG1-CD2 3.64Å; V142-L193 HydrophobicContact CG1-CG 4.19Å; V142-L199 HydrophobicContact CG2-CD2 4.22Å |
| 143 | H | 93.3 | Very high | 88.9 | Confident | 41 Ų | 41 | 48 Ų | 48 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.1 | 168.6 | -178 | 70.7 | 0 | 0 | 0 | 109.4 | D62 L117 S118 F119 L152 | D62-H143 WeakPolarHBondContact OD2-CB 3.16Å; D62-H143 IonicContact OD2-CD2 3.6Å; D62-H143 IonicContact OD2-CG 3.26Å; D62-H143 VanDerWaalsContact OD2-CG 3.26Å; D62-H143 IonicContact OD2-ND1 3.99Å; L117-H143 PolarHBondContact O-N 3.36Å; S118-H143 WeakPolarHBondContact CA-O 3.37Å; F119-H143 PolarHBondContact N-O 2.88Å; H143-L152 CarbonylContact C-O 3.55Å; H143-L152 VanDerWaalsContact CA-O 3.28Å; H143-L152 WeakPolarHBondContact CA-O 3.36Å; H143-L152 PolarHBondContact ND1-O 3.38Å; H143-L152 VanDerWaalsContact ND1-O 3.16Å |
| 144 | S | 87.4 | Confident | 89 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.9 | 176.5 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | A146 L152 L193 | S144-A146 VanDerWaalsContact C-N 3.34Å; S144-A146 WeakPolarHBondContact OG-CB 3.43Å; S144-A146 PolarHBondContact OG-N 2.83Å; S144-L152 PolarHBondContact N-O 2.89Å; S144-L152 WeakPolarHBondContact O-CD2 3.32Å; S144-L193 VanDerWaalsContact CB-O 3.23Å; S144-L193 WeakPolarHBondContact CB-O 3.43Å; S144-L193 PolarHBondContact OG-O 3.4Å |
| 145 | A | 81.8 | Confident | 89.2 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | trans | -96.9 | 14.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112 | F119 | F119-A145 VanDerWaalsContact O-CB 3.27Å; F119-A145 WeakPolarHBondContact O-CB 3.38Å; F119-A145 PolarHBondContact O-N 3.1Å | ||
| 146 | A | 80.4 | Confident | 89.6 | Confident | 11 Ų | 11 | 54 Ų | 54 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | trans | -63.7 | 138.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.8 | F119 S144 G148 A149 | F119-A146 HydrophobicContact CD1-CB 4.3Å; F119-A146 HydrophobicContact CE1-CB 4.46Å; S144-A146 VanDerWaalsContact C-N 3.34Å; S144-A146 WeakPolarHBondContact OG-CB 3.43Å; S144-A146 PolarHBondContact OG-N 2.83Å; A146-G148 PolarHBondContact O-N 2.84Å; A146-A149 HydrophobicContact CB-CB 4.36Å; A146-A149 VanDerWaalsContact O-CB 3.25Å; A146-A149 WeakPolarHBondContact O-CB 3.38Å; A146-A149 PolarHBondContact O-N 2.77Å; A146-A149 VanDerWaalsContact O-N 3.1Å | ||
| 147 | Q | 81.1 | Confident | 89.9 | Confident | 158 Ų | 158 | 56.8 Ų | 56.8 | 74% | 0.738 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 124.1 | -177.8 | -173 | 176 | 11.8 | 0 | 0 | 110.8 | T124 | T124-Q147 HydrophobicContact CG2-CB 4.28Š|
| 148 | G | 79.6 | Confident | 89.8 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 71% | 0.711 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 8.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A146 P150 | A146-G148 PolarHBondContact O-N 2.84Å; G148-P150 WeakPolarHBondContact O-CD 3.35Å |
| 149 | A | 84.3 | Confident | 89.1 | Confident | 11 Ų | 11 | 58.6 Ų | 58.6 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | trans | -64.9 | 115.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A146 H151 L152 N194 | A146-A149 HydrophobicContact CB-CB 4.36Å; A146-A149 VanDerWaalsContact O-CB 3.25Å; A146-A149 WeakPolarHBondContact O-CB 3.38Å; A146-A149 PolarHBondContact O-N 2.77Å; A146-A149 VanDerWaalsContact O-N 3.1Å; A149-H151 VanDerWaalsContact C-N 3.26Å; A149-H151 PolarHBondContact O-N 2.93Å; A149-L152 HydrophobicContact CB-CD2 4.16Å; A149-N194 WeakPolarHBondContact CB-O 3.41Å | ||
| 150 | P | 87.8 | Confident | 87.7 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 57% | 0.571 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -69.4 | -24.7 | 173.3 | 26.9 | -35.8 | 0 | 0 | 0 | 113 | G148 G195 | G148-P150 WeakPolarHBondContact O-CD 3.35Å; P150-G195 WeakPolarHBondContact CD-O 3.4Å; P150-G195 WeakPolarHBondContact CG-O 3.44Å |
| 151 | H | 88.5 | Confident | 85.7 | Confident | 72 Ų | 72 | 67.8 Ų | 67.8 | 33% | 0.333 | 38% | 0.375 | S | S | . | . | trans | -115.2 | 83.7 | -176.8 | -58 | -70.6 | 0 | 0 | 0 | 111.4 | A149 Q154 G195 S198 | A149-H151 VanDerWaalsContact C-N 3.26Å; A149-H151 PolarHBondContact O-N 2.93Å; H151-Q154 VanDerWaalsContact CB-CD 3.45Å; H151-Q154 HydrophobicContact CB-CG 3.92Å; H151-Q154 VanDerWaalsContact CB-NE2 3.34Å; H151-G195 PolarHBondContact N-O 3.41Å; H151-G195 VanDerWaalsContact N-O 3.13Å; H151-S198 PolarHBondContact CD2-N 2.99Å | ||
| 152 | L | 89.5 | Confident | 83.3 | Confident | 97 Ų | 97 | 66.6 Ų | 66.6 | 51% | 0.508 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -71.5 | -33.2 | -176.4 | -60.2 | 175.6 | 0 | 0 | 0 | 113.5 | H143 S144 A149 | H143-L152 CarbonylContact C-O 3.55Å; H143-L152 VanDerWaalsContact CA-O 3.28Å; H143-L152 WeakPolarHBondContact CA-O 3.36Å; H143-L152 PolarHBondContact ND1-O 3.38Å; H143-L152 VanDerWaalsContact ND1-O 3.16Å; S144-L152 PolarHBondContact N-O 2.89Å; S144-L152 WeakPolarHBondContact O-CD2 3.32Å; A149-L152 HydrophobicContact CB-CD2 4.16Å |
| 153 | E | 93.6 | Very high | 80.7 | Confident | 102 Ų | 102 | 77.5 Ų | 77.5 | 48% | 0.477 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 127.6 | 179.9 | -172.4 | 177.3 | 145.1 | 0 | 0 | 110.5 | R141 V142 | R141-E153 IonicContact CZ-OE1 3.07Å; R141-E153 IonicContact CZ-OE2 2.97Å; R141-E153 IonicContact NE-OE1 3.03Å; R141-E153 PolarHBondContact NE-OE1 3.37Å; R141-E153 IonicContact NE-OE2 2.94Å; R141-E153 IonicContact NH1-OE1 3.09Å; R141-E153 IonicContact NH2-OE1 2.72Å; R141-E153 PolarHBondContact NH2-OE1 2.78Å; R141-E153 IonicContact NH2-OE2 2.66Å; R141-E153 PolarHBondContact NH2-OE2 3.42Å; V142-E153 WeakPolarHBondContact O-CA 3.19Å |
| 154 | Q | 95.2 | Very high | 78.2 | Confident | 22 Ų | 22 | 80.9 Ų | 80.9 | 10% | 0.103 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 143 | -177.1 | -51.9 | -164.5 | 75.7 | 0 | 0 | 110.1 | R141 V142 H151 S197 S198 L199 | R141-Q154 CarbonylContact C-O 3.56Å; R141-Q154 WeakPolarHBondContact CA-O 3.44Å; V142-Q154 PolarHBondContact N-O 2.82Å; V142-Q154 PolarHBondContact O-N 2.83Å; H151-Q154 VanDerWaalsContact CB-CD 3.45Å; H151-Q154 HydrophobicContact CB-CG 3.92Å; H151-Q154 VanDerWaalsContact CB-NE2 3.34Å; Q154-S197 PolarHBondContact NE2-O 3.01Å; Q154-S198 VanDerWaalsContact OE1-CA 3.23Å; Q154-L199 HydrophobicContact CB-CB 4.03Å; Q154-L199 HydrophobicContact CB-CD2 4.19Å |
| 155 | V | 95.8 | Very high | 76.3 | Confident | 83 Ų | 83 | 88 Ų | 88 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 130.7 | 178.2 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | R139 L140 R141 | R139-V155 HydrophobicContact CG-CG1 4.27Å; L140-V155 CarbonylContact O-C 3.56Å; L140-V155 WeakPolarHBondContact O-CA 3.24Å; R141-V155 HydrophobicContact CB-CG2 4.22Å; R141-V155 HydrophobicContact CG-CG2 3.92Å |
| 156 | L | 95.2 | Very high | 74.2 | Confident | 29 Ų | 29 | 95 Ų | 95 | 15% | 0.152 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 132.3 | 172 | -176.7 | 82 | 0 | 0 | 0 | 108.8 | R139 L140 I158 L199 A201 I244 | R139-L156 WeakPolarHBondContact CA-O 3.38Å; L140-L156 HydrophobicContact CB-CB 4.42Å; L140-L156 PolarHBondContact N-O 3.1Å; L140-L156 PolarHBondContact O-N 2.78Å; L156-I158 HydrophobicContact CD2-CD1 4.36Å; L156-I158 HydrophobicContact CD2-CG1 4.05Å; L156-I158 HydrophobicContact CG-CG1 4.45Å; L156-L199 HydrophobicContact CB-CD2 3.62Å; L156-L199 HydrophobicContact CB-CG 4.28Å; L156-A201 HydrophobicContact CD1-CB 3.93Å; L156-A201 HydrophobicContact CD2-CB 3.51Å; L156-A201 HydrophobicContact CG-CB 4.33Å; L156-I244 HydrophobicContact CD2-CD1 4.02Å; L156-I244 HydrophobicContact CD2-CG1 3.97Å; L156-I244 HydrophobicContact CD2-CG2 3.94Å |
| 157 | T | 93.4 | Very high | 72.2 | Confident | 81 Ų | 81 | 97.5 Ų | 97.5 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.5 | 170.6 | -57.4 | 0 | 0 | 0 | 0 | 108.8 | R138 | R138-T157 CarbonylContact O-C 3.56Å; R138-T157 WeakPolarHBondContact O-CA 3.49Å |
| 158 | I | 88.6 | Confident | 70.5 | Confident | 18 Ų | 18 | 93.8 Ų | 93.8 | 9% | 0.092 | 51% | 0.508 | C | S | . | . | trans | -97.9 | 108.1 | -179.8 | -55.2 | 164.5 | 0 | 0 | 0 | 107.4 | L137 R138 L156 H184 T242 I244 | L137-I158 HydrophobicContact CD2-CD1 4.24Å; L137-I158 HydrophobicContact CG-CD1 4.36Å; L137-I158 WeakPolarHBondContact O-CD1 3.39Å; R138-I158 PolarHBondContact O-N 3.11Å; L156-I158 HydrophobicContact CD2-CD1 4.36Å; L156-I158 HydrophobicContact CD2-CG1 4.05Å; L156-I158 HydrophobicContact CG-CG1 4.45Å; I158-H184 VanDerWaalsContact CG2-CE1 3.41Å; I158-H184 WeakPolarHBondContact CG2-CE1 3.28Å; I158-T242 HydrophobicContact CD1-CG2 3.81Å; I158-T242 HydrophobicContact CG1-CG2 4.22Å; I158-T242 HydrophobicContact CG2-CG2 4.43Å; I158-I244 HydrophobicContact CD1-CD1 4.04Å | ||
| 159 | S | 75.2 | Confident | 68.4 | Low | 108 Ų | 108 | 92.7 Ų | 92.7 | 76% | 0.755 | 50% | 0.498 | S | S | * | . | trans | -91.5 | 112.4 | 178.1 | -58.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 160 | S | 63.5 | Low | 66 | Low | 57 Ų | 57 | 94.9 Ų | 94.9 | 40% | 0.399 | 51% | 0.512 | S | S | . | . | trans | -84.8 | 138 | 166.9 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | S162 | S160-S162 PolarHBondContact O-N 3.01Å; S160-S162 PolarHBondContact OG-N 3.49Å | ||
| 161 | R | 53.9 | Low | 63.7 | Low | 253 Ų | 253 | 93.4 Ų | 93.4 | 96% | 0.955 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -69.6 | -8.1 | 178 | -162.7 | 177 | 179.4 | -168.6 | -0.2 | 112.6 | R163 | R161-R163 PolarHBondContact O-N 3.28Å; R161-R163 VanDerWaalsContact O-N 3.11Å |
| 162 | S | 47.4 | Very low | 61.1 | Low | 45 Ų | 45 | 93.6 Ų | 93.6 | 32% | 0.315 | 51% | 0.508 | S | S | . | . | trans | -67.7 | 107.4 | 174.8 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | S160 D164 | S160-S162 PolarHBondContact O-N 3.01Å; S160-S162 PolarHBondContact OG-N 3.49Å; S162-D164 VanDerWaalsContact C-N 3.27Å; S162-D164 PolarHBondContact O-N 2.84Å | ||
| 163 | R | 40.2 | Very low | 58.4 | Low | 231 Ų | 231 | 92.4 Ų | 92.4 | 87% | 0.872 | 51% | 0.507 | S | S | * | . | trans | -77.6 | 76.2 | -179.6 | -171.7 | -163.1 | -65.3 | -168.4 | -0.5 | 108.3 | R161 | R161-R163 PolarHBondContact O-N 3.28Å; R161-R163 VanDerWaalsContact O-N 3.11Å | ||
| 164 | D | 39.4 | Very low | 55.5 | Low | 112 Ų | 112 | 94.2 Ų | 94.2 | 60% | 0.599 | 53% | 0.526 | S | S | * | . | trans | -155.9 | 69.6 | 162.8 | -81.8 | -37.5 | 0 | 0 | 0 | 109.6 | S162 E166 | S162-D164 VanDerWaalsContact C-N 3.27Å; S162-D164 PolarHBondContact O-N 2.84Å; D164-E166 VanDerWaalsContact C-N 3.3Å; D164-E166 PolarHBondContact O-N 2.77Å; D164-E166 VanDerWaalsContact O-N 3.14Å | ||
| 165 | I | 48.4 | Very low | 52.7 | Low | 150 Ų | 150 | 97.8 Ų | 97.8 | 77% | 0.769 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 86.2 | 165.5 | -60.5 | 179.3 | 0 | 0 | 0 | 106.4 | ||
| 166 | E | 37.9 | Very low | 49.9 | Very low | 198 Ų | 198 | 100.3 Ų | 100.3 | 93% | 0.925 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -179.1 | -15.6 | 151.1 | -104.1 | 166.8 | -171.8 | 0 | 0 | 113.2 | D164 | D164-E166 VanDerWaalsContact C-N 3.3Å; D164-E166 PolarHBondContact O-N 2.77Å; D164-E166 VanDerWaalsContact O-N 3.14Å |
| 167 | G | 36.8 | Very low | 46.9 | Very low | 64 Ų | 64 | 102.8 Ų | 102.8 | 66% | 0.66 | 59% | 0.588 | S | S | * | * | trans | -104.4 | -10.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | G169 | G167-G169 PolarHBondContact O-N 2.82Š| ||
| 168 | M | 45.5 | Very low | 44.2 | Very low | 79 Ų | 79 | 102.2 Ų | 102.2 | 39% | 0.389 | 59% | 0.588 | S | S | . | * | trans | -86.7 | 52.1 | -172.7 | -147.6 | 91 | 167.5 | 0 | 0 | 112.6 | S181 | M168-S181 VanDerWaalsContact CE-CB 3.42Š| ||
| 169 | G | 36.4 | Very low | 41.9 | Very low | 47 Ų | 47 | 107.1 Ų | 107.1 | 49% | 0.485 | 62% | 0.621 | S | S | . | * | trans | -83.2 | 113 | 151.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | G167 | G167-G169 PolarHBondContact O-N 2.82Š| ||
| 170 | C | 32.8 | Very low | 40.6 | Very low | 57 Ų | 57 | 105.1 Ų | 105.1 | 39% | 0.385 | 61% | 0.606 | S | S | . | * | trans | 80.5 | 144 | 167.9 | -51.7 | 0 | 0 | 0 | 0 | 117.8 | S172 | C170-S172 VanDerWaalsContact CB-N 3.32Å; C170-S172 WeakPolarHBondContact CB-OG 3.4Å; C170-S172 PolarHBondContact O-N 2.9Å | ||
| 171 | L | 40.1 | Very low | 40.3 | Very low | 57 Ų | 57 | 103.6 Ų | 103.6 | 30% | 0.298 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -50.4 | 41.9 | 136.1 | -67.4 | 166.3 | 0 | 0 | 0 | 112.7 | V111 P222 H224 | V111-L171 HydrophobicContact CG2-CD1 4.35Å; L171-P222 HydrophobicContact CD1-CB 3.64Å; L171-P222 HydrophobicContact CD1-CG 3.85Å; L171-H224 VanDerWaalsContact CB-CE1 3.5Å; L171-H224 WeakPolarHBondContact CB-CE1 3.44Å |
| 172 | S | 33.8 | Very low | 40.7 | Very low | 75 Ų | 75 | 93.5 Ų | 93.5 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | trans | -150.6 | 47 | -174.8 | -45.2 | 0 | 0 | 0 | 0 | 111.3 | C170 T174 | C170-S172 VanDerWaalsContact CB-N 3.32Å; C170-S172 WeakPolarHBondContact CB-OG 3.4Å; C170-S172 PolarHBondContact O-N 2.9Å; S172-T174 PolarHBondContact O-N 3.48Å | ||
| 173 | S | 32.7 | Very low | 42.1 | Very low | 72 Ų | 72 | 92.5 Ų | 92.5 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | trans | -81.7 | 94.7 | 154.7 | 59.4 | 0 | 0 | 0 | 0 | 107.6 | D175 | S173-D175 PolarHBondContact O-N 3.31Š| ||
| 174 | T | 34.2 | Very low | 44.3 | Very low | 140 Ų | 140 | 82.5 Ų | 82.5 | 86% | 0.859 | 52% | 0.517 | S | S | * | . | trans | -77.1 | 33.2 | 167.4 | -38.2 | 0 | 0 | 0 | 0 | 110.9 | S172 | S172-T174 PolarHBondContact O-N 3.48Š| ||
| 175 | D | 34.4 | Very low | 46.7 | Very low | 98 Ų | 98 | 77.2 Ų | 77.2 | 52% | 0.524 | 49% | 0.488 | S | S | . | . | trans | -120.7 | 102.7 | -178 | -148.6 | -13.2 | 0 | 0 | 0 | 109.3 | S173 A177 S178 | S173-D175 PolarHBondContact O-N 3.31Å; D175-A177 PolarHBondContact O-N 3.16Å; D175-S178 PolarHBondContact O-N 2.98Å | ||
| 176 | P | 37.1 | Very low | 48.8 | Very low | 136 Ų | 136 | 70 Ų | 70 | 88% | 0.883 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 3.2 | -173.9 | 28.1 | -34.5 | 0 | 0 | 0 | 114 | ||
| 177 | A | 32.1 | Very low | 51.5 | Low | 80 Ų | 80 | 61.7 Ų | 61.7 | 66% | 0.661 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 4.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D175 P179 | D175-A177 PolarHBondContact O-N 3.16Å; A177-P179 VanDerWaalsContact O-CD 3.27Å; A177-P179 WeakPolarHBondContact O-CD 3.43Å |
| 178 | S | 38.3 | Very low | 54.3 | Low | 70 Ų | 70 | 58.7 Ų | 58.7 | 49% | 0.49 | 38% | 0.381 | S | S | . | . | trans | -106.9 | 95 | -177.9 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | D175 S180 | D175-S178 PolarHBondContact O-N 2.98Å; S178-S180 PolarHBondContact O-N 3.36Å | ||
| 179 | P | 40.4 | Very low | 56.6 | Low | 121 Ų | 121 | 55.4 Ų | 55.4 | 79% | 0.786 | 37% | 0.365 | S | S | * | . | trans | -88.5 | 34.5 | -165.8 | 36.8 | -38.3 | 0 | 0 | 0 | 115.8 | A177 | A177-P179 VanDerWaalsContact O-CD 3.27Å; A177-P179 WeakPolarHBondContact O-CD 3.43Å | ||
| 180 | S | 46.4 | Very low | 59.3 | Low | 65 Ų | 65 | 53.2 Ų | 53.2 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | trans | -158.5 | 59.8 | 180 | 64.4 | 0 | 0 | 0 | 0 | 116.6 | S178 V182 | S178-S180 PolarHBondContact O-N 3.36Å; S180-V182 PolarHBondContact O-N 2.87Å | ||
| 181 | S | 57.3 | Low | 62 | Low | 26 Ų | 26 | 51.5 Ų | 51.5 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | trans | -87.8 | 90.7 | 164.2 | 44.6 | 0 | 0 | 0 | 0 | 110.2 | M168 L183 Q237 | M168-S181 VanDerWaalsContact CE-CB 3.42Å; S181-L183 PolarHBondContact O-N 3.23Å; S181-Q237 WeakPolarHBondContact O-CG 3.48Å; S181-Q237 PolarHBondContact OG-NE2 3.25Å | ||
| 182 | V | 64.1 | Low | 64.5 | Low | 40 Ų | 40 | 48.9 Ų | 48.9 | 24% | 0.242 | 32% | 0.317 | C | S | . | . | trans | -65.8 | 122.2 | 174.2 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | S180 H184 D238 L240 | S180-V182 PolarHBondContact O-N 2.87Å; V182-H184 PolarHBondContact O-N 3.45Å; V182-D238 WeakPolarHBondContact CA-O 3.45Å; V182-D238 WeakPolarHBondContact CG1-O 3.43Å; V182-D238 HydrophobicContact CG2-CB 4.36Å; V182-L240 HydrophobicContact CG1-CB 4.04Å | ||
| 183 | L | 76.7 | Confident | 67.2 | Low | 24 Ų | 24 | 45.3 Ų | 45.3 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 114.8 | 174.3 | 179.9 | 68.6 | 0 | 0 | 0 | 109 | F135 S181 V185 M209 D238 C239 L240 | F135-L183 HydrophobicContact CD1-CD1 4.04Å; F135-L183 HydrophobicContact CE1-CD1 4.44Å; S181-L183 PolarHBondContact O-N 3.23Å; L183-V185 HydrophobicContact CD2-CG2 4.28Å; L183-V185 HydrophobicContact CG-CG2 4.14Å; L183-M209 HydrophobicContact CD2-CB 4.08Å; L183-M209 HydrophobicContact CD2-CG 3.8Å; L183-D238 PolarHBondContact N-O 3.02Å; L183-C239 CarbonylContact O-C 3.48Å; L183-C239 VanDerWaalsContact O-CA 3.28Å; L183-C239 WeakPolarHBondContact O-CA 3.44Å; L183-C239 PolarHBondContact O-SG 3.22Å; L183-L240 PolarHBondContact O-N 3.05Å |
| 184 | H | 86 | Confident | 69.9 | Low | 22 Ų | 22 | 42.5 Ų | 42.5 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 118.1 | 177.6 | -177.2 | -158.7 | 0 | 0 | 0 | 110.8 | F135 G136 L137 I158 V182 S186 L240 T242 | F135-H184 WeakPolarHBondContact CA-O 3.14Å; G136-H184 PolarHBondContact N-O 2.97Å; L137-H184 PolarHBondContact O-CE1 2.98Å; L137-H184 PolarHBondContact O-ND1 3.11Å; I158-H184 VanDerWaalsContact CG2-CE1 3.41Å; I158-H184 WeakPolarHBondContact CG2-CE1 3.28Å; V182-H184 PolarHBondContact O-N 3.45Å; H184-S186 PolarHBondContact NE2-OG 2.88Å; H184-L240 WeakPolarHBondContact CA-O 3.34Å; H184-L240 PolarHBondContact CD2-O 3.23Å; H184-T242 PolarHBondContact NE2-OG1 3.12Å |
| 185 | V | 89.3 | Confident | 72.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.2 | 175.5 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | L134 F135 L183 F187 L219 L240 L241 T242 | L134-V185 CarbonylContact O-C 3.54Å; L134-V185 WeakPolarHBondContact O-CA 3.44Å; F135-V185 HydrophobicContact CD1-CG2 3.85Å; F135-V185 HydrophobicContact CE1-CB 4.42Å; F135-V185 HydrophobicContact CE1-CG1 4.16Å; F135-V185 HydrophobicContact CE1-CG2 3.57Å; F135-V185 HydrophobicContact CZ-CG1 4.45Å; L183-V185 HydrophobicContact CD2-CG2 4.28Å; L183-V185 HydrophobicContact CG-CG2 4.14Å; V185-F187 HydrophobicContact CG1-CE2 4.25Å; V185-F187 HydrophobicContact CG1-CZ 4.17Å; V185-L219 HydrophobicContact CG1-CD1 4.17Å; V185-L240 PolarHBondContact N-O 3.46Å; V185-L241 HydrophobicContact CB-CD2 3.69Å; V185-L241 HydrophobicContact CG1-CD2 4.4Å; V185-L241 HydrophobicContact CG2-CD2 4.15Å; V185-L241 CarbonylContact O-C 3.57Å; V185-L241 WeakPolarHBondContact O-CA 3.41Å; V185-T242 PolarHBondContact O-N 3.19Å |
| 186 | S | 93.1 | Very high | 75.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123.3 | 176.4 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | A133 L134 H184 T242 | A133-S186 CarbonylContact C-O 3.57Å; A133-S186 WeakPolarHBondContact CA-O 3.45Å; L134-S186 PolarHBondContact N-O 2.89Å; L134-S186 PolarHBondContact O-N 2.77Å; H184-S186 PolarHBondContact NE2-OG 2.88Å; S186-T242 CarbonylContact C-O 3.54Å; S186-T242 VanDerWaalsContact CA-O 3.28Å; S186-T242 WeakPolarHBondContact CA-O 3.31Å |
| 187 | F | 94.1 | Very high | 77.7 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 10% | 0.101 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 112.9 | 170 | -62.1 | -79.6 | 0 | 0 | 0 | 108.5 | L132 A133 V185 F216 L219 L241 T242 F243 I244 | L132-F187 WeakPolarHBondContact O-CA 3.34Å; A133-F187 HydrophobicContact CB-CD1 4.36Å; A133-F187 HydrophobicContact CB-CE1 4.29Å; V185-F187 HydrophobicContact CG1-CE2 4.25Å; V185-F187 HydrophobicContact CG1-CZ 4.17Å; F187-F216 HydrophobicContact CZ-CD1 4.33Å; F187-F216 HydrophobicContact CZ-CE1 4.34Å; F187-L219 HydrophobicContact CE1-CD1 3.6Å; F187-L219 HydrophobicContact CZ-CD1 3.77Å; F187-L241 HydrophobicContact CE2-CD1 4.48Å; F187-L241 HydrophobicContact CE2-CD2 3.8Å; F187-T242 PolarHBondContact N-O 3.47Å; F187-F243 HydrophobicContact CB-CD1 3.99Å; F187-F243 HydrophobicContact CB-CE1 4.4Å; F187-F243 AromaticContact CD2-CD1 3.92Å; F187-F243 HydrophobicContact CD2-CD1 3.92Å; F187-F243 AromaticContact CD2-CE1 3.59Å; F187-F243 HydrophobicContact CD2-CE1 3.59Å; F187-F243 HydrophobicContact CD2-CZ 4.07Å; F187-F243 HydrophobicContact CE2-CE1 4.14Å; F187-F243 HydrophobicContact CE2-CZ 4.31Å; F187-F243 HydrophobicContact CG-CD1 4.27Å; F187-F243 HydrophobicContact CG-CE1 4.19Å; F187-I244 PolarHBondContact O-N 3.31Å |
| 188 | L | 95.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.2 | -179.4 | 172.9 | 62.6 | 0 | 0 | 0 | 109.8 | L117 Y131 L132 L140 V190 V192 I244 | L117-L188 HydrophobicContact CD1-CD2 3.7Å; Y131-L188 WeakPolarHBondContact CA-O 3.27Å; L132-L188 HydrophobicContact CD1-CB 3.73Å; L132-L188 HydrophobicContact CD1-CD2 4.05Å; L132-L188 HydrophobicContact CD1-CG 4.37Å; L132-L188 HydrophobicContact CD2-CD2 4.2Å; L132-L188 HydrophobicContact CG-CB 3.93Å; L132-L188 HydrophobicContact CG-CD2 4.28Å; L132-L188 HydrophobicContact CG-CG 4.35Å; L132-L188 PolarHBondContact N-O 3.16Å; L132-L188 PolarHBondContact O-N 3.04Å; L140-L188 HydrophobicContact CD1-CD2 4.29Å; L140-L188 HydrophobicContact CD2-CD1 3.66Å; L140-L188 HydrophobicContact CD2-CD2 4.11Å; L188-V190 PolarHBondContact O-N 3.19Å; L188-V192 HydrophobicContact CD1-CG2 3.95Å; L188-I244 HydrophobicContact CD1-CB 3.82Å; L188-I244 HydrophobicContact CD1-CG2 3.59Å |
| 189 | D | 94.3 | Very high | 83.3 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.053 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 115.2 | 162.9 | -176.2 | -2 | 0 | 0 | 0 | 108.9 | T129 Q130 Y131 S191 V192 I244 | T129-D189 WeakPolarHBondContact CA-OD1 3.5Å; T129-D189 WeakPolarHBondContact CG2-OD2 3.5Å; Q130-D189 WeakPolarHBondContact O-CA 3.18Å; Y131-D189 HydrophobicContact CD1-CB 4.1Å; Y131-D189 HydrophobicContact CE1-CB 3.72Å; D189-S191 PolarHBondContact O-N 2.84Å; D189-S191 VanDerWaalsContact OD1-CB 3.23Å; D189-S191 WeakPolarHBondContact OD1-CB 3.47Å; D189-S191 PolarHBondContact OD1-N 3.26Å; D189-S191 PolarHBondContact OD1-OG 2.87Å; D189-S191 VanDerWaalsContact OD1-OG 3.11Å; D189-S191 PolarHBondContact OD2-OG 2.87Å; D189-V192 VanDerWaalsContact O-CG1 3.3Å; D189-V192 WeakPolarHBondContact O-CG1 3.24Å; D189-V192 VanDerWaalsContact O-CG2 3.3Å; D189-V192 WeakPolarHBondContact O-CG2 3.35Å; D189-V192 PolarHBondContact O-N 2.88Å; D189-I244 PolarHBondContact N-O 2.85Å |
| 190 | V | 91.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -68 | -14.7 | 180 | -55.9 | 0 | 0 | 0 | 0 | 112.9 | I127 Q130 L132 L188 V192 L193 | I127-V190 HydrophobicContact CG2-CG2 3.76Å; Q130-V190 HydrophobicContact CB-CG2 3.73Å; Q130-V190 HydrophobicContact CG-CG2 4.47Å; Q130-V190 WeakPolarHBondContact O-CG2 3.28Å; Q130-V190 PolarHBondContact O-N 3.35Å; L132-V190 HydrophobicContact CD2-CG1 3.56Å; L132-V190 HydrophobicContact CG-CG1 4.09Å; L188-V190 PolarHBondContact O-N 3.19Å; V190-V192 PolarHBondContact O-N 3.04Å; V190-V192 VanDerWaalsContact O-N 3.11Å; V190-L193 WeakPolarHBondContact O-CB 3.33Å; V190-L193 PolarHBondContact O-N 2.8Å; V190-L193 VanDerWaalsContact O-N 3.12Å |
| 191 | S | 91.1 | Very high | 88.3 | Confident | 21 Ų | 21 | 27 Ų | 27 | 15% | 0.147 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -62.3 | -16.1 | 176.6 | 83.6 | 0 | 0 | 0 | 0 | 112.9 | D189 L193 N194 | D189-S191 PolarHBondContact O-N 2.84Å; D189-S191 VanDerWaalsContact OD1-CB 3.23Å; D189-S191 WeakPolarHBondContact OD1-CB 3.47Å; D189-S191 PolarHBondContact OD1-N 3.26Å; D189-S191 PolarHBondContact OD1-OG 2.87Å; D189-S191 VanDerWaalsContact OD1-OG 3.11Å; D189-S191 PolarHBondContact OD2-OG 2.87Å; S191-L193 PolarHBondContact O-N 2.8Å; S191-L193 VanDerWaalsContact O-N 3.12Å; S191-N194 WeakPolarHBondContact O-CB 3.42Å; S191-N194 VanDerWaalsContact O-CG 3.29Å; S191-N194 PolarHBondContact O-N 3.18Å; S191-N194 PolarHBondContact O-ND2 2.86Å |
| 192 | V | 91.9 | Very high | 90 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -57.4 | -25.4 | 172.3 | -60.2 | 0 | 0 | 0 | 0 | 113 | V142 L188 D189 V190 N194 G195 L199 Y245 | V142-V192 HydrophobicContact CG1-CG2 4.29Å; V142-V192 HydrophobicContact CG2-CG2 4.12Å; L188-V192 HydrophobicContact CD1-CG2 3.95Å; D189-V192 VanDerWaalsContact O-CG1 3.3Å; D189-V192 WeakPolarHBondContact O-CG1 3.24Å; D189-V192 VanDerWaalsContact O-CG2 3.3Å; D189-V192 WeakPolarHBondContact O-CG2 3.35Å; D189-V192 PolarHBondContact O-N 2.88Å; V190-V192 PolarHBondContact O-N 3.04Å; V190-V192 VanDerWaalsContact O-N 3.11Å; V192-N194 PolarHBondContact O-N 3Å; V192-G195 PolarHBondContact O-N 3.33Å; V192-L199 HydrophobicContact CB-CD1 3.99Å; V192-L199 HydrophobicContact CG1-CD1 3.68Å; V192-L199 HydrophobicContact CG2-CD1 4.35Å; V192-Y245 WeakPolarHBondContact CG1-OXT 3.33Å |
| 193 | L | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -68.7 | -14.2 | 176.1 | -74.5 | 161.2 | 0 | 0 | 0 | 112.9 | L97 L103 L117 F119 I127 V142 S144 V190 S191 G195 | L97-L193 HydrophobicContact CD1-CD1 4.19Å; L97-L193 HydrophobicContact CD2-CD1 4.23Å; L103-L193 HydrophobicContact CD1-CD1 3.34Å; L117-L193 HydrophobicContact CB-CD2 3.91Å; F119-L193 HydrophobicContact CB-CB 4.37Å; F119-L193 HydrophobicContact CB-CD2 4.15Å; I127-L193 HydrophobicContact CD1-CB 3.49Å; I127-L193 VanDerWaalsContact CD1-CB 3.49Å; V142-L193 HydrophobicContact CG1-CD2 3.64Å; V142-L193 HydrophobicContact CG1-CG 4.19Å; S144-L193 VanDerWaalsContact CB-O 3.23Å; S144-L193 WeakPolarHBondContact CB-O 3.43Å; S144-L193 PolarHBondContact OG-O 3.4Å; V190-L193 WeakPolarHBondContact O-CB 3.33Å; V190-L193 PolarHBondContact O-N 2.8Å; V190-L193 VanDerWaalsContact O-N 3.12Å; S191-L193 PolarHBondContact O-N 2.8Å; S191-L193 VanDerWaalsContact O-N 3.12Å; L193-G195 PolarHBondContact O-N 2.78Å |
| 194 | N | 89.4 | Confident | 91.9 | Very high | 14 Ų | 14 | 33.9 Ų | 33.9 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -69.9 | -19.3 | 169.3 | -61.8 | -46.3 | 0 | 0 | 0 | 112.3 | L125 I127 A149 S191 V192 L196 | L125-N194 PolarHBondContact O-OD1 3.02Å; I127-N194 VanDerWaalsContact CB-OD1 3.29Å; I127-N194 WeakPolarHBondContact CB-OD1 3.44Å; I127-N194 WeakPolarHBondContact CG1-OD1 3.28Å; I127-N194 PolarHBondContact N-ND2 3.34Å; I127-N194 PolarHBondContact N-OD1 2.95Å; I127-N194 PolarHBondContact O-ND2 3.16Å; A149-N194 WeakPolarHBondContact CB-O 3.41Å; S191-N194 WeakPolarHBondContact O-CB 3.42Å; S191-N194 VanDerWaalsContact O-CG 3.29Å; S191-N194 PolarHBondContact O-N 3.18Å; S191-N194 PolarHBondContact O-ND2 2.86Å; V192-N194 PolarHBondContact O-N 3Å; N194-L196 HydrophobicContact CB-CD1 3.99Å; N194-L196 HydrophobicContact CB-CG 3.83Å; N194-L196 PolarHBondContact O-N 2.82Å; N194-L196 VanDerWaalsContact O-N 3.09Å |
| 195 | G | 89.8 | Confident | 91.9 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | trans | 63.2 | 14.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | P150 H151 V192 L193 | P150-G195 WeakPolarHBondContact CD-O 3.4Å; P150-G195 WeakPolarHBondContact CG-O 3.44Å; H151-G195 PolarHBondContact N-O 3.41Å; H151-G195 VanDerWaalsContact N-O 3.13Å; V192-G195 PolarHBondContact O-N 3.33Å; L193-G195 PolarHBondContact O-N 2.78Å | ||
| 196 | L | 89.4 | Confident | 91.3 | Very high | 117 Ų | 117 | 39 Ų | 39 | 61% | 0.613 | 23% | 0.227 | S | C | * | . | trans | -74.8 | -25 | -177.5 | -63.4 | 176.3 | 0 | 0 | 0 | 113 | N194 | N194-L196 HydrophobicContact CB-CD1 3.99Å; N194-L196 HydrophobicContact CB-CG 3.83Å; N194-L196 PolarHBondContact O-N 2.82Å; N194-L196 VanDerWaalsContact O-N 3.09Å | ||
| 197 | S | 89.2 | Confident | 90.2 | Very high | 50 Ų | 50 | 42.4 Ų | 42.4 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -126.2 | 155.4 | 178.9 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | Q154 | Q154-S197 PolarHBondContact NE2-O 3.01Š|
| 198 | S | 93.1 | Very high | 89.2 | Confident | 46 Ų | 46 | 42.6 Ų | 42.6 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | trans | -65.7 | 134 | 167.3 | 63.6 | 0 | 0 | 0 | 0 | 109.9 | H151 Q154 K200 | H151-S198 PolarHBondContact CD2-N 2.99Å; Q154-S198 VanDerWaalsContact OE1-CA 3.23Å; S198-K200 PolarHBondContact O-N 3.37Å; S198-K200 VanDerWaalsContact OG-CE 3.29Å; S198-K200 WeakPolarHBondContact OG-CE 3.29Å | ||
| 199 | L | 95.2 | Very high | 88 | Confident | 23 Ų | 23 | 46 Ų | 46 | 12% | 0.12 | 27% | 0.269 | C | S | . | . | trans | -62.4 | 125.8 | 176.7 | -169.4 | 64.9 | 0 | 0 | 0 | 110.2 | L140 V142 Q154 L156 V192 I244 | L140-L199 HydrophobicContact CD2-CD1 4.48Å; L140-L199 HydrophobicContact CD2-CD2 4.29Å; V142-L199 HydrophobicContact CG2-CD2 4.22Å; Q154-L199 HydrophobicContact CB-CB 4.03Å; Q154-L199 HydrophobicContact CB-CD2 4.19Å; L156-L199 HydrophobicContact CB-CD2 3.62Å; L156-L199 HydrophobicContact CB-CG 4.28Å; V192-L199 HydrophobicContact CB-CD1 3.99Å; V192-L199 HydrophobicContact CG1-CD1 3.68Å; V192-L199 HydrophobicContact CG2-CD1 4.35Å; L199-I244 HydrophobicContact CD1-CG2 3.63Å; L199-I244 HydrophobicContact CG-CG2 4.31Å | ||
| 200 | K | 95.8 | Very high | 86.8 | Confident | 109 Ų | 109 | 49.4 Ų | 49.4 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | trans | -129.1 | 153.8 | -179.9 | -70.5 | 173.5 | -173 | 173.7 | 0 | 109.5 | S198 I244 Y245 | S198-K200 PolarHBondContact O-N 3.37Å; S198-K200 VanDerWaalsContact OG-CE 3.29Å; S198-K200 WeakPolarHBondContact OG-CE 3.29Å; K200-I244 WeakPolarHBondContact O-CA 3.15Å; K200-Y245 HydrophobicContact CB-CD2 4.27Å; K200-Y245 HydrophobicContact CB-CE1 4.28Å; K200-Y245 HydrophobicContact CB-CE2 3.78Å; K200-Y245 HydrophobicContact CD-CE2 3.98Å; K200-Y245 HydrophobicContact CG-CE2 4.5Å; K200-Y245 PolarHBondContact N-O 3.36Å; K200-Y245 PolarHBondContact O-N 2.99Å | ||
| 201 | A | 96 | Very high | 86 | Confident | 39 Ų | 39 | 51.3 Ų | 51.3 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 153.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L156 T242 F243 I244 | L156-A201 HydrophobicContact CD1-CB 3.93Å; L156-A201 HydrophobicContact CD2-CB 3.51Å; L156-A201 HydrophobicContact CG-CB 4.33Å; A201-T242 HydrophobicContact CB-CG2 4.09Å; A201-F243 WeakPolarHBondContact CA-O 3.36Å; A201-F243 WeakPolarHBondContact CB-O 3.43Å; A201-I244 HydrophobicContact CB-CG1 4.07Å |
| 202 | Y | 94.4 | Very high | 85.3 | Confident | 114 Ų | 114 | 50.5 Ų | 50.5 | 45% | 0.447 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.7 | 164.1 | 67.5 | -88 | 0 | 0 | 0 | 109.4 | V204 T242 F243 Y245 | Y202-V204 HydrophobicContact CD2-CG1 4.1Å; Y202-V204 HydrophobicContact CE2-CG1 4.26Å; Y202-T242 WeakPolarHBondContact O-CA 3.21Å; Y202-F243 HydrophobicContact CD1-CB 4.16Å; Y202-F243 HydrophobicContact CD2-CD2 4.04Å; Y202-F243 HydrophobicContact CE1-CB 3.57Å; Y202-F243 HydrophobicContact CE1-CD2 4.31Å; Y202-F243 HydrophobicContact CE1-CG 4.16Å; Y202-F243 HydrophobicContact CE2-CB 4.15Å; Y202-F243 AromaticContact CE2-CD2 3.3Å; Y202-F243 HydrophobicContact CE2-CD2 3.3Å; Y202-F243 AromaticContact CE2-CE2 3.95Å; Y202-F243 HydrophobicContact CE2-CE2 3.95Å; Y202-F243 AromaticContact CE2-CG 3.97Å; Y202-F243 HydrophobicContact CE2-CG 3.97Å; Y202-F243 AromaticContact CZ-CD2 3.45Å; Y202-F243 VanDerWaalsContact CZ-CD2 3.45Å; Y202-F243 AromaticContact CZ-CG 3.6Å; Y202-F243 PolarHBondContact N-O 3.37Å; Y202-F243 VanDerWaalsContact N-O 3.13Å; Y202-F243 PolarHBondContact O-N 3.01Å; Y202-F243 WeakPolarHBondContact OH-CD2 3.43Å; Y202-F243 WeakPolarHBondContact OH-CG 3.4Å; Y202-Y245 AromaticContact CD1-CE1 3.82Å; Y202-Y245 HydrophobicContact CD1-CE1 3.82Å; Y202-Y245 AromaticContact CE1-CE1 3.91Å; Y202-Y245 HydrophobicContact CE1-CE1 3.91Å |
| 203 | S | 91.1 | Very high | 84.6 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 41% | 0.413 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.8 | 179.9 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | L241 T242 | S203-L241 CarbonylContact C-O 3.53Å; S203-L241 WeakPolarHBondContact CA-O 3.02Å; S203-T242 PolarHBondContact OG-OG1 3.06Å |
| 204 | V | 89.3 | Confident | 84 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 37% | 0.37 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 137.7 | 177.2 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | Y202 A206 L241 F243 | Y202-V204 HydrophobicContact CD2-CG1 4.1Å; Y202-V204 HydrophobicContact CE2-CG1 4.26Å; V204-A206 PolarHBondContact O-N 3.25Å; V204-L241 HydrophobicContact CG2-CB 3.84Å; V204-L241 PolarHBondContact N-O 2.93Å; V204-L241 PolarHBondContact O-N 3.2Å; V204-F243 HydrophobicContact CG2-CE2 4.03Å |
| 205 | S | 85 | Confident | 83.6 | Confident | 116 Ų | 116 | 65.2 Ų | 65.2 | 81% | 0.811 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 124.6 | 166.7 | -62 | 0 | 0 | 0 | 0 | 108.3 | ||
| 206 | A | 76.8 | Confident | 83.2 | Confident | 14 Ų | 14 | 68.6 Ų | 68.6 | 12% | 0.116 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 156.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V204 L212 C239 L241 | V204-A206 PolarHBondContact O-N 3.25Å; A206-L212 HydrophobicContact CB-CD1 4.22Å; A206-C239 HydrophobicContact CB-CB 4.08Å; A206-C239 PolarHBondContact N-O 2.97Å; A206-L241 HydrophobicContact CB-CD1 3.66Å; A206-L241 HydrophobicContact CB-CG 3.61Å |
| 207 | P | 71.2 | Confident | 82.7 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | trans | -53.2 | 160.4 | 170.8 | -27.9 | 37.5 | 0 | 0 | 0 | 112.8 | T211 | P207-T211 WeakPolarHBondContact CB-OG1 3.35Š| ||
| 208 | P | 72.7 | Confident | 82.4 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 18% | 0.175 | 40% | 0.404 | C | S | . | . | trans | -54.4 | 151.8 | -179.6 | -24.7 | 33.8 | 0 | 0 | 0 | 112.7 | S210 T211 L212 Q236 Q237 | P208-S210 PolarHBondContact O-N 3.4Å; P208-T211 PolarHBondContact O-N 3.29Å; P208-T211 PolarHBondContact O-OG1 3.07Å; P208-L212 PolarHBondContact O-N 3.01Å; P208-L212 VanDerWaalsContact O-N 3.17Å; P208-Q236 HydrophobicContact CB-CB 4.12Å; P208-Q236 HydrophobicContact CB-CG 4.2Å; P208-Q236 HydrophobicContact CG-CB 3.86Å; P208-Q236 HydrophobicContact CG-CG 3.92Å; P208-Q237 WeakPolarHBondContact CA-O 3.4Å | ||
| 209 | M | 68.8 | Low | 81.8 | Confident | 72 Ų | 72 | 72.3 Ų | 72.3 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -46.9 | -40.2 | -175.2 | -178.6 | -80.5 | -126.4 | 0 | 0 | 113.8 | L183 T211 L212 F213 | L183-M209 HydrophobicContact CD2-CB 4.08Å; L183-M209 HydrophobicContact CD2-CG 3.8Å; M209-T211 PolarHBondContact O-N 3.13Å; M209-L212 WeakPolarHBondContact O-CB 3.43Å; M209-L212 PolarHBondContact O-N 3.31Å; M209-F213 HydrophobicContact CE-CE2 4.02Å; M209-F213 HydrophobicContact CG-CD2 4.3Å; M209-F213 HydrophobicContact CG-CE2 3.72Å; M209-F213 VanDerWaalsContact O-CD2 3.31Å; M209-F213 WeakPolarHBondContact O-CD2 3.31Å; M209-F213 PolarHBondContact O-N 2.66Å; M209-F213 HydrophobicContact SD-CD2 3.64Å; M209-F213 HydrophobicContact SD-CE2 3.36Å; M209-F213 WeakPolarHBondContact SD-CE2 3.02Å |
| 210 | S | 70.4 | Confident | 81 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 57% | 0.573 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -57.9 | -34.3 | 178.1 | 56 | 0 | 0 | 0 | 0 | 113.9 | P208 | P208-S210 PolarHBondContact O-N 3.4Å |
| 211 | T | 74.6 | Confident | 79.7 | Confident | 41 Ų | 41 | 72.5 Ų | 72.5 | 25% | 0.252 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -88.5 | -21.5 | 176.5 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | P207 P208 M209 F213 Q214 H215 | P207-T211 WeakPolarHBondContact CB-OG1 3.35Å; P208-T211 PolarHBondContact O-N 3.29Å; P208-T211 PolarHBondContact O-OG1 3.07Å; M209-T211 PolarHBondContact O-N 3.13Å; T211-F213 PolarHBondContact O-N 2.67Å; T211-Q214 WeakPolarHBondContact O-CB 3.49Å; T211-Q214 PolarHBondContact O-N 3.45Å; T211-H215 PolarHBondContact O-ND1 2.94Å |
| 212 | L | 77.3 | Confident | 78.2 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.016 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.4 | -40.6 | -180 | -165 | 138.1 | 0 | 0 | 0 | 111.8 | A206 P208 M209 Q214 H215 F216 L219 C239 L241 | A206-L212 HydrophobicContact CB-CD1 4.22Å; P208-L212 PolarHBondContact O-N 3.01Å; P208-L212 VanDerWaalsContact O-N 3.17Å; M209-L212 WeakPolarHBondContact O-CB 3.43Å; M209-L212 PolarHBondContact O-N 3.31Å; L212-Q214 PolarHBondContact O-N 3.39Å; L212-H215 PolarHBondContact O-N 2.85Å; L212-F216 HydrophobicContact CD2-CD2 4.12Å; L212-F216 HydrophobicContact CG-CD2 4.09Å; L212-F216 WeakPolarHBondContact O-CD2 3.25Å; L212-F216 PolarHBondContact O-N 3.23Å; L212-L219 HydrophobicContact CD2-CD2 3.32Å; L212-C239 HydrophobicContact CD1-CB 4.04Å; L212-C239 WeakPolarHBondContact CD1-SG 3.36Å; L212-L241 HydrophobicContact CD1-CD1 4.35Å; L212-L241 HydrophobicContact CD1-CD2 3.87Å; L212-L241 HydrophobicContact CD1-CG 4.33Å |
| 213 | F | 75.2 | Confident | 76.2 | Confident | 48 Ų | 48 | 71.9 Ų | 71.9 | 21% | 0.211 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.6 | -23 | 176 | -73.2 | -71.2 | 0 | 0 | 0 | 114.3 | M209 T211 H215 F216 P217 L219 L221 | M209-F213 HydrophobicContact CE-CE2 4.02Å; M209-F213 HydrophobicContact CG-CD2 4.3Å; M209-F213 HydrophobicContact CG-CE2 3.72Å; M209-F213 VanDerWaalsContact O-CD2 3.31Å; M209-F213 WeakPolarHBondContact O-CD2 3.31Å; M209-F213 PolarHBondContact O-N 2.66Å; M209-F213 HydrophobicContact SD-CD2 3.64Å; M209-F213 HydrophobicContact SD-CE2 3.36Å; M209-F213 WeakPolarHBondContact SD-CE2 3.02Å; T211-F213 PolarHBondContact O-N 2.67Å; F213-H215 VanDerWaalsContact C-N 3.3Å; F213-F216 CarbonylContact O-C 3.45Å; F213-P217 WeakPolarHBondContact O-CA 3Å; F213-L219 HydrophobicContact CD1-CB 4.41Å; F213-L219 HydrophobicContact CE1-CB 3.97Å; F213-L219 HydrophobicContact CE1-CD2 4.02Å; F213-L219 HydrophobicContact CE1-CG 4.33Å; F213-L219 HydrophobicContact CZ-CD2 4.16Å; F213-L221 HydrophobicContact CD2-CD2 4.39Å; F213-L221 HydrophobicContact CE1-CD1 4.44Å; F213-L221 HydrophobicContact CE1-CD2 3.65Å; F213-L221 HydrophobicContact CE1-CG 3.65Å; F213-L221 HydrophobicContact CE2-CD2 3.5Å; F213-L221 VanDerWaalsContact CE2-CD2 3.5Å; F213-L221 HydrophobicContact CE2-CG 4.41Å; F213-L221 HydrophobicContact CZ-CD2 3.08Å; F213-L221 HydrophobicContact CZ-CG 3.63Å |
| 214 | Q | 79.9 | Confident | 74.1 | Confident | 151 Ų | 151 | 73.7 Ų | 73.7 | 71% | 0.706 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -69.6 | -32.6 | 172.4 | -60.8 | 179.7 | -16.1 | 0 | 0 | 111.4 | T211 L212 | T211-Q214 WeakPolarHBondContact O-CB 3.49Å; T211-Q214 PolarHBondContact O-N 3.45Å; L212-Q214 PolarHBondContact O-N 3.39Å |
| 215 | H | 80.7 | Confident | 71.5 | Confident | 127 Ų | 127 | 75.9 Ų | 75.9 | 59% | 0.588 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -88.5 | -28.6 | 178.7 | -61 | 86.8 | 0 | 0 | 0 | 112.4 | T211 L212 F213 | T211-H215 PolarHBondContact O-ND1 2.94Å; L212-H215 PolarHBondContact O-N 2.85Å; F213-H215 VanDerWaalsContact C-N 3.3Å |
| 216 | F | 80.4 | Confident | 69.1 | Low | 72 Ų | 72 | 75.9 Ų | 75.9 | 32% | 0.316 | 42% | 0.417 | S | S | . | . | trans | -126.2 | 73.5 | -179.6 | -58.7 | -84.6 | 0 | 0 | 0 | 111.2 | F187 L212 F213 H218 L219 L241 | F187-F216 HydrophobicContact CZ-CD1 4.33Å; F187-F216 HydrophobicContact CZ-CE1 4.34Å; L212-F216 HydrophobicContact CD2-CD2 4.12Å; L212-F216 HydrophobicContact CG-CD2 4.09Å; L212-F216 WeakPolarHBondContact O-CD2 3.25Å; L212-F216 PolarHBondContact O-N 3.23Å; F213-F216 CarbonylContact O-C 3.45Å; F216-H218 PolarHBondContact O-N 2.98Å; F216-H218 VanDerWaalsContact O-N 3.12Å; F216-L219 HydrophobicContact CB-CB 3.97Å; F216-L219 WeakPolarHBondContact O-CB 3.33Å; F216-L219 PolarHBondContact O-N 3.12Å; F216-L219 VanDerWaalsContact O-N 3.11Å; F216-L241 HydrophobicContact CE2-CD1 4.08Å; F216-L241 HydrophobicContact CZ-CD1 4.38Å | ||
| 217 | P | 79.7 | Confident | 67 | Low | 95 Ų | 95 | 80.9 Ų | 80.9 | 62% | 0.617 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17 | -174.3 | 26.6 | -35.9 | 0 | 0 | 0 | 114.2 | F213 | F213-P217 WeakPolarHBondContact O-CA 3Š|
| 218 | H | 82.4 | Confident | 65.1 | Low | 179 Ų | 179 | 82.1 Ų | 82.1 | 83% | 0.829 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 7.4 | 178.8 | -58.6 | -58 | 0 | 0 | 0 | 113.4 | F216 P220 | F216-H218 PolarHBondContact O-N 2.98Å; F216-H218 VanDerWaalsContact O-N 3.12Å; H218-P220 WeakPolarHBondContact O-CD 3.47Å |
| 219 | L | 81.6 | Confident | 63.3 | Low | 16 Ų | 16 | 89.1 Ų | 89.1 | 8% | 0.084 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 124.8 | 176.6 | -172.6 | 74.9 | 0 | 0 | 0 | 109.1 | A133 F135 V185 F187 L212 F213 F216 L221 | A133-L219 HydrophobicContact CB-CD1 3.72Å; F135-L219 HydrophobicContact CZ-CD2 4.31Å; F135-L219 HydrophobicContact CZ-CG 4.37Å; V185-L219 HydrophobicContact CG1-CD1 4.17Å; F187-L219 HydrophobicContact CE1-CD1 3.6Å; F187-L219 HydrophobicContact CZ-CD1 3.77Å; L212-L219 HydrophobicContact CD2-CD2 3.32Å; F213-L219 HydrophobicContact CD1-CB 4.41Å; F213-L219 HydrophobicContact CE1-CB 3.97Å; F213-L219 HydrophobicContact CE1-CD2 4.02Å; F213-L219 HydrophobicContact CE1-CG 4.33Å; F213-L219 HydrophobicContact CZ-CD2 4.16Å; F216-L219 HydrophobicContact CB-CB 3.97Å; F216-L219 WeakPolarHBondContact O-CB 3.33Å; F216-L219 PolarHBondContact O-N 3.12Å; F216-L219 VanDerWaalsContact O-N 3.11Å; L219-L221 PolarHBondContact O-N 2.69Å |
| 220 | P | 76.9 | Confident | 61.7 | Low | 34 Ų | 34 | 92.9 Ų | 92.9 | 22% | 0.221 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 128.3 | 175.4 | 25.1 | -33.5 | 0 | 0 | 0 | 109.8 | G109 A133 F135 H218 | G109-P220 VanDerWaalsContact CA-CG 3.41Å; A133-P220 HydrophobicContact CB-CG 4.01Å; F135-P220 VanDerWaalsContact CE2-O 3.29Å; F135-P220 WeakPolarHBondContact CE2-O 3.3Å; F135-P220 WeakPolarHBondContact CZ-O 3.42Å; H218-P220 WeakPolarHBondContact O-CD 3.47Å |
| 221 | L | 69.3 | Low | 60 | Low | 102 Ų | 102 | 95.9 Ų | 95.9 | 53% | 0.534 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 131.7 | 173.5 | -82.4 | 156.2 | 0 | 0 | 0 | 109.2 | F213 L219 L223 | F213-L221 HydrophobicContact CD2-CD2 4.39Å; F213-L221 HydrophobicContact CE1-CD1 4.44Å; F213-L221 HydrophobicContact CE1-CD2 3.65Å; F213-L221 HydrophobicContact CE1-CG 3.65Å; F213-L221 HydrophobicContact CE2-CD2 3.5Å; F213-L221 VanDerWaalsContact CE2-CD2 3.5Å; F213-L221 HydrophobicContact CE2-CG 4.41Å; F213-L221 HydrophobicContact CZ-CD2 3.08Å; F213-L221 HydrophobicContact CZ-CG 3.63Å; L219-L221 PolarHBondContact O-N 2.69Å; L221-L223 PolarHBondContact O-N 2.86Å |
| 222 | P | 63.8 | Low | 58.2 | Low | 16 Ų | 16 | 98.8 Ų | 98.8 | 10% | 0.104 | 54% | 0.538 | C | S | . | . | trans | -67.2 | 104.7 | 169 | 26.8 | -29.7 | 0 | 0 | 0 | 107.9 | V111 F135 L171 H224 | V111-P222 HydrophobicContact CG2-CB 4.13Å; F135-P222 HydrophobicContact CD1-CG 4.25Å; F135-P222 HydrophobicContact CD2-CB 4.36Å; F135-P222 HydrophobicContact CD2-CG 4.44Å; F135-P222 HydrophobicContact CE1-CG 4.18Å; F135-P222 HydrophobicContact CE2-CG 4.37Å; F135-P222 HydrophobicContact CG-CG 4.39Å; F135-P222 HydrophobicContact CZ-CG 4.26Å; L171-P222 HydrophobicContact CD1-CB 3.64Å; L171-P222 HydrophobicContact CD1-CG 3.85Å; P222-H224 PolarHBondContact O-N 3.17Å | ||
| 223 | L | 52.7 | Low | 56.4 | Low | 124 Ų | 124 | 104.9 Ų | 104.9 | 65% | 0.649 | 58% | 0.577 | S | S | * | * | trans | -54.3 | 107 | -176.3 | -70.8 | 166 | 0 | 0 | 0 | 111.1 | T83 R88 L221 | T83-L223 HydrophobicContact CG2-CD1 4.08Å; R88-L223 PolarHBondContact NH2-O 3.01Å; L221-L223 PolarHBondContact O-N 2.86Å | ||
| 224 | H | 47.8 | Very low | 55.1 | Low | 98 Ų | 98 | 108.8 Ų | 108.8 | 45% | 0.454 | 60% | 0.596 | S | S | . | * | trans | -72.9 | 140.9 | 169.8 | -85 | -90.7 | 0 | 0 | 0 | 110.3 | L171 P222 S226 | L171-H224 VanDerWaalsContact CB-CE1 3.5Å; L171-H224 WeakPolarHBondContact CB-CE1 3.44Å; P222-H224 PolarHBondContact O-N 3.17Å; H224-S226 PolarHBondContact O-N 3.04Å | ||
| 225 | P | 34.4 | Very low | 53.8 | Low | 107 Ų | 107 | 106.5 Ų | 106.5 | 70% | 0.695 | 59% | 0.594 | S | S | * | * | trans | -66.9 | 100.6 | 156.5 | 27 | -27.2 | 0 | 0 | 0 | 108 | T227 | P225-T227 PolarHBondContact O-N 3.3Š| ||
| 226 | S | 34.1 | Very low | 52.6 | Low | 116 Ų | 116 | 108 Ų | 108 | 81% | 0.811 | 60% | 0.602 | S | S | * | * | trans | 21.6 | 94.7 | 160.2 | 53.7 | 0 | 0 | 0 | 0 | 117 | H224 | H224-S226 PolarHBondContact O-N 3.04Š| ||
| 227 | T | 31.9 | Very low | 51.7 | Low | 119 Ų | 119 | 107.2 Ų | 107.2 | 73% | 0.73 | 60% | 0.599 | S | S | * | * | trans | -91.1 | 126.2 | 152.5 | 29.9 | 0 | 0 | 0 | 0 | 109 | P225 | P225-T227 PolarHBondContact O-N 3.3Š| ||
| 228 | S | 31.9 | Very low | 51.2 | Low | 96 Ų | 96 | 108 Ų | 108 | 67% | 0.671 | 60% | 0.598 | S | S | * | * | trans | -56.8 | 148.6 | -178.7 | 49.7 | 0 | 0 | 0 | 0 | 113 | D230 | S228-D230 PolarHBondContact O-N 2.8Š| ||
| 229 | L | 36.1 | Very low | 51 | Low | 173 Ų | 173 | 99.7 Ų | 99.7 | 91% | 0.906 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 15.5 | -170.8 | -154.3 | 123.9 | 0 | 0 | 0 | 116.8 | ||
| 230 | D | 34.2 | Very low | 51.2 | Low | 152 Ų | 152 | 100 Ų | 100 | 81% | 0.813 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 16.5 | -167.3 | -84.1 | -33.1 | 0 | 0 | 0 | 115.6 | S228 | S228-D230 PolarHBondContact O-N 2.8Š|
| 231 | Q | 35.6 | Very low | 51.8 | Low | 144 Ų | 144 | 98.9 Ų | 98.9 | 67% | 0.673 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 133.6 | 177.7 | -148.4 | 154.8 | -61 | 0 | 0 | 111.8 | ||
| 232 | P | 35.5 | Very low | 53 | Low | 102 Ų | 102 | 94 Ų | 94 | 66% | 0.662 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 154 | 176.8 | 22.9 | -33.1 | 0 | 0 | 0 | 111.2 | E234 | P232-E234 PolarHBondContact O-N 2.87Š|
| 233 | P | 40 | Very low | 54.5 | Low | 131 Ų | 131 | 95.5 Ų | 95.5 | 85% | 0.851 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 118.2 | -175.1 | 21.6 | -31.9 | 0 | 0 | 0 | 110.2 | ||
| 234 | E | 48.8 | Very low | 56.6 | Low | 130 Ų | 130 | 89.6 Ų | 89.6 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 150.8 | 177.2 | -87.3 | -159.6 | 140.4 | 0 | 0 | 111.3 | P232 Q236 | P232-E234 PolarHBondContact O-N 2.87Å; E234-Q236 PolarHBondContact O-N 3.31Å |
| 235 | P | 51.4 | Low | 58.7 | Low | 103 Ų | 103 | 89.8 Ų | 89.8 | 67% | 0.669 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 138 | 174.4 | 23.6 | -32.5 | 0 | 0 | 0 | 110 | Q237 | P235-Q237 PolarHBondContact O-N 3.06Š|
| 236 | Q | 56.2 | Low | 60 | Low | 159 Ų | 159 | 88.9 Ų | 88.9 | 74% | 0.743 | 49% | 0.49 | S | S | * | . | trans | -48.6 | 101.8 | 180 | -77.6 | 166.4 | -26.4 | 0 | 0 | 110.5 | P208 E234 D238 | P208-Q236 HydrophobicContact CB-CB 4.12Å; P208-Q236 HydrophobicContact CB-CG 4.2Å; P208-Q236 HydrophobicContact CG-CB 3.86Å; P208-Q236 HydrophobicContact CG-CG 3.92Å; E234-Q236 PolarHBondContact O-N 3.31Å; Q236-D238 PolarHBondContact O-N 3.45Å; Q236-D238 VanDerWaalsContact O-N 3.16Å | ||
| 237 | Q | 61.3 | Low | 61.3 | Low | 55 Ų | 55 | 87.5 Ų | 87.5 | 26% | 0.257 | 47% | 0.473 | S | S | . | . | trans | -68.6 | 112.4 | 173.7 | -91.8 | 171.4 | -17.7 | 0 | 0 | 108.8 | S181 P208 P235 C239 | S181-Q237 WeakPolarHBondContact O-CG 3.48Å; S181-Q237 PolarHBondContact OG-NE2 3.25Å; P208-Q237 WeakPolarHBondContact CA-O 3.4Å; P235-Q237 PolarHBondContact O-N 3.06Å; Q237-C239 PolarHBondContact O-N 3.11Å | ||
| 238 | D | 69.1 | Low | 63 | Low | 113 Ų | 113 | 85.7 Ų | 85.7 | 60% | 0.604 | 46% | 0.459 | S | S | * | . | trans | -54.9 | 135.2 | 167.2 | -75.5 | -22.4 | 0 | 0 | 0 | 109.1 | V182 L183 Q236 | V182-D238 WeakPolarHBondContact CA-O 3.45Å; V182-D238 WeakPolarHBondContact CG1-O 3.43Å; V182-D238 HydrophobicContact CG2-CB 4.36Å; L183-D238 PolarHBondContact N-O 3.02Å; Q236-D238 PolarHBondContact O-N 3.45Å; Q236-D238 VanDerWaalsContact O-N 3.16Å | ||
| 239 | C | 78.1 | Confident | 64.8 | Low | 4 Ų | 4 | 85.1 Ų | 85.1 | 3% | 0.027 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 139 | 178.8 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | L183 A206 L212 Q237 | L183-C239 CarbonylContact O-C 3.48Å; L183-C239 VanDerWaalsContact O-CA 3.28Å; L183-C239 WeakPolarHBondContact O-CA 3.44Å; L183-C239 PolarHBondContact O-SG 3.22Å; A206-C239 HydrophobicContact CB-CB 4.08Å; A206-C239 PolarHBondContact N-O 2.97Å; L212-C239 HydrophobicContact CD1-CB 4.04Å; L212-C239 WeakPolarHBondContact CD1-SG 3.36Å; Q237-C239 PolarHBondContact O-N 3.11Å |
| 240 | L | 86.1 | Confident | 66.6 | Low | 23 Ų | 23 | 79.6 Ų | 79.6 | 12% | 0.12 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.2 | 168.8 | -173.6 | 69.6 | 0 | 0 | 0 | 108 | V182 L183 H184 V185 | V182-L240 HydrophobicContact CG1-CB 4.04Å; L183-L240 PolarHBondContact O-N 3.05Å; H184-L240 WeakPolarHBondContact CA-O 3.34Å; H184-L240 PolarHBondContact CD2-O 3.23Å; V185-L240 PolarHBondContact N-O 3.46Å |
| 241 | L | 90 | Very high | 68.7 | Low | 9 Ų | 9 | 74.8 Ų | 74.8 | 5% | 0.047 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 133.4 | 170.2 | -63.9 | -179 | 0 | 0 | 0 | 108.9 | V185 F187 S203 V204 A206 L212 F216 F243 | V185-L241 HydrophobicContact CB-CD2 3.69Å; V185-L241 HydrophobicContact CG1-CD2 4.4Å; V185-L241 HydrophobicContact CG2-CD2 4.15Å; V185-L241 CarbonylContact O-C 3.57Å; V185-L241 WeakPolarHBondContact O-CA 3.41Å; F187-L241 HydrophobicContact CE2-CD1 4.48Å; F187-L241 HydrophobicContact CE2-CD2 3.8Å; S203-L241 CarbonylContact C-O 3.53Å; S203-L241 WeakPolarHBondContact CA-O 3.02Å; V204-L241 HydrophobicContact CG2-CB 3.84Å; V204-L241 PolarHBondContact N-O 2.93Å; V204-L241 PolarHBondContact O-N 3.2Å; A206-L241 HydrophobicContact CB-CD1 3.66Å; A206-L241 HydrophobicContact CB-CG 3.61Å; L212-L241 HydrophobicContact CD1-CD1 4.35Å; L212-L241 HydrophobicContact CD1-CD2 3.87Å; L212-L241 HydrophobicContact CD1-CG 4.33Å; F216-L241 HydrophobicContact CE2-CD1 4.08Å; F216-L241 HydrophobicContact CZ-CD1 4.38Å; L241-F243 HydrophobicContact CB-CE2 4.02Å; L241-F243 HydrophobicContact CB-CZ 4.42Å; L241-F243 HydrophobicContact CD1-CZ 4.48Å |
| 242 | T | 93.4 | Very high | 71.1 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.8 | 173.7 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | I158 H184 V185 S186 F187 A201 Y202 S203 I244 | I158-T242 HydrophobicContact CD1-CG2 3.81Å; I158-T242 HydrophobicContact CG1-CG2 4.22Å; I158-T242 HydrophobicContact CG2-CG2 4.43Å; H184-T242 PolarHBondContact NE2-OG1 3.12Å; V185-T242 PolarHBondContact O-N 3.19Å; S186-T242 CarbonylContact C-O 3.54Å; S186-T242 VanDerWaalsContact CA-O 3.28Å; S186-T242 WeakPolarHBondContact CA-O 3.31Å; F187-T242 PolarHBondContact N-O 3.47Å; A201-T242 HydrophobicContact CB-CG2 4.09Å; Y202-T242 WeakPolarHBondContact O-CA 3.21Å; S203-T242 PolarHBondContact OG-OG1 3.06Å; T242-I244 HydrophobicContact CG2-CD1 4.5Å; T242-I244 HydrophobicContact CG2-CG1 3.97Å |
| 243 | F | 95.3 | Very high | 73.8 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.4 | 177.3 | -60.4 | -92.2 | 0 | 0 | 0 | 108.1 | F187 A201 Y202 V204 L241 | F187-F243 HydrophobicContact CB-CD1 3.99Å; F187-F243 HydrophobicContact CB-CE1 4.4Å; F187-F243 AromaticContact CD2-CD1 3.92Å; F187-F243 HydrophobicContact CD2-CD1 3.92Å; F187-F243 AromaticContact CD2-CE1 3.59Å; F187-F243 HydrophobicContact CD2-CE1 3.59Å; F187-F243 HydrophobicContact CD2-CZ 4.07Å; F187-F243 HydrophobicContact CE2-CE1 4.14Å; F187-F243 HydrophobicContact CE2-CZ 4.31Å; F187-F243 HydrophobicContact CG-CD1 4.27Å; F187-F243 HydrophobicContact CG-CE1 4.19Å; A201-F243 WeakPolarHBondContact CA-O 3.36Å; A201-F243 WeakPolarHBondContact CB-O 3.43Å; Y202-F243 HydrophobicContact CD1-CB 4.16Å; Y202-F243 HydrophobicContact CD2-CD2 4.04Å; Y202-F243 HydrophobicContact CE1-CB 3.57Å; Y202-F243 HydrophobicContact CE1-CD2 4.31Å; Y202-F243 HydrophobicContact CE1-CG 4.16Å; Y202-F243 HydrophobicContact CE2-CB 4.15Å; Y202-F243 AromaticContact CE2-CD2 3.3Å; Y202-F243 HydrophobicContact CE2-CD2 3.3Å; Y202-F243 AromaticContact CE2-CE2 3.95Å; Y202-F243 HydrophobicContact CE2-CE2 3.95Å; Y202-F243 AromaticContact CE2-CG 3.97Å; Y202-F243 HydrophobicContact CE2-CG 3.97Å; Y202-F243 AromaticContact CZ-CD2 3.45Å; Y202-F243 VanDerWaalsContact CZ-CD2 3.45Å; Y202-F243 AromaticContact CZ-CG 3.6Å; Y202-F243 PolarHBondContact N-O 3.37Å; Y202-F243 VanDerWaalsContact N-O 3.13Å; Y202-F243 PolarHBondContact O-N 3.01Å; Y202-F243 WeakPolarHBondContact OH-CD2 3.43Å; Y202-F243 WeakPolarHBondContact OH-CG 3.4Å; V204-F243 HydrophobicContact CG2-CE2 4.03Å; L241-F243 HydrophobicContact CB-CE2 4.02Å; L241-F243 HydrophobicContact CB-CZ 4.42Å; L241-F243 HydrophobicContact CD1-CZ 4.48Å |
| 244 | I | 96.8 | Very high | 76.7 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.8 | -173.3 | -50.1 | 170.1 | 0 | 0 | 0 | 108.9 | L137 L140 L156 I158 F187 L188 D189 L199 K200 A201 T242 | L137-I244 HydrophobicContact CD2-CD1 3.76Å; L140-I244 HydrophobicContact CD2-CD1 4.23Å; L140-I244 HydrophobicContact CD2-CG2 3.91Å; L156-I244 HydrophobicContact CD2-CD1 4.02Å; L156-I244 HydrophobicContact CD2-CG1 3.97Å; L156-I244 HydrophobicContact CD2-CG2 3.94Å; I158-I244 HydrophobicContact CD1-CD1 4.04Å; F187-I244 PolarHBondContact O-N 3.31Å; L188-I244 HydrophobicContact CD1-CB 3.82Å; L188-I244 HydrophobicContact CD1-CG2 3.59Å; D189-I244 PolarHBondContact N-O 2.85Å; L199-I244 HydrophobicContact CD1-CG2 3.63Å; L199-I244 HydrophobicContact CG-CG2 4.31Å; K200-I244 WeakPolarHBondContact O-CA 3.15Å; A201-I244 HydrophobicContact CB-CG1 4.07Å; T242-I244 HydrophobicContact CG2-CD1 4.5Å; T242-I244 HydrophobicContact CG2-CG1 3.97Å |
| 245 | Y | 93.6 | Very high | 79.2 | Confident | 101 Ų | 101 | 55.9 Ų | 55.9 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | trans | -159.1 | 0 | -174.4 | 61.5 | -86.4 | 0 | 0 | 0 | 112.5 | V192 K200 Y202 | V192-Y245 WeakPolarHBondContact CG1-OXT 3.33Å; K200-Y245 HydrophobicContact CB-CD2 4.27Å; K200-Y245 HydrophobicContact CB-CE1 4.28Å; K200-Y245 HydrophobicContact CB-CE2 3.78Å; K200-Y245 HydrophobicContact CD-CE2 3.98Å; K200-Y245 HydrophobicContact CG-CE2 4.5Å; K200-Y245 PolarHBondContact N-O 3.36Å; K200-Y245 PolarHBondContact O-N 2.99Å; Y202-Y245 AromaticContact CD1-CE1 3.82Å; Y202-Y245 HydrophobicContact CD1-CE1 3.82Å; Y202-Y245 AromaticContact CE1-CE1 3.91Å; Y202-Y245 HydrophobicContact CE1-CE1 3.91Å |
Retrieved 245 of 245 residues in 345.4 ms
(Link to these results)