| 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 | 37.8 | Very low | 43.3 | Very low | 241 Ų | 241 | 148.1 Ų | 148.1 | 100% | 1.187 | 86% | 0.862 | S | S | * | * | 0 | 115.8 | 0 | -75.5 | 173.7 | 172.7 | 0 | 0 | 107.7 | |||||
| 2 | L | 43.5 | Very low | 43.6 | Very low | 170 Ų | 170 | 149 Ų | 149 | 89% | 0.89 | 85% | 0.852 | S | S | * | * | trans | -62.6 | 151.6 | 166.6 | -95.3 | 85.4 | 0 | 0 | 0 | 109.8 | ||||
| 3 | P | 44 | Very low | 43.9 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 75% | 0.753 | 85% | 0.847 | S | S | * | * | trans | -118.2 | 164 | 137.4 | 25.9 | -9.8 | 0 | 0 | 0 | 112.1 | ||||
| 4 | P | 43.6 | Very low | 44.1 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 75% | 0.753 | 85% | 0.846 | S | S | * | * | trans | -113 | 158.1 | -142.3 | 37.4 | -27.1 | 0 | 0 | 0 | 115.7 | ||||
| 5 | R | 36.1 | Very low | 44.3 | Very low | 248 Ų | 248 | 148.8 Ų | 148.8 | 94% | 0.936 | 84% | 0.836 | S | S | * | * | trans | 24.8 | 110 | 145.4 | -77.9 | -176.6 | 159.7 | 173.8 | -5.1 | 119.1 | ||||
| 6 | Q | 41.1 | Very low | 44.3 | Very low | 200 Ų | 200 | 146.5 Ų | 146.5 | 94% | 0.935 | 82% | 0.821 | S | S | * | * | trans | -61.2 | 130.4 | 147.1 | -76.3 | 172.5 | -12.9 | 0 | 0 | 110.6 | ||||
| 7 | G | 38.8 | Very low | 44.3 | Very low | 69 Ų | 69 | 146.1 Ų | 146.1 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | -87.9 | 137.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G9 | G7-G9 PolarHBondContact O-N 3.26Š| ||
| 8 | P | 47.3 | Very low | 44.4 | Very low | 140 Ų | 140 | 143.9 Ų | 143.9 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -90.1 | 104.3 | 178.4 | 33.8 | -26.8 | 0 | 0 | 0 | 108.9 | ||||
| 9 | G | 49.2 | Very low | 44.4 | Very low | 80 Ų | 80 | 143.7 Ų | 143.7 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -165.8 | 76.6 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | G7 | G7-G9 PolarHBondContact O-N 3.26Š| ||
| 10 | G | 45.7 | Very low | 44.4 | Very low | 75 Ų | 75 | 143.8 Ų | 143.8 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 168.6 | 3.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 11 | Q | 49.5 | Very low | 44.5 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -117.1 | 2.5 | -179.1 | -102.4 | 179 | 6.3 | 0 | 0 | 115.6 | ||
| 12 | H | 46.5 | Very low | 44.7 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -99.1 | -7.6 | 178.3 | -74.6 | -56.5 | 0 | 0 | 0 | 115.1 | ||
| 13 | L | 47.2 | Very low | 44.6 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -87.9 | -17 | -176.1 | -139.9 | 78.4 | 0 | 0 | 0 | 114.6 | ||
| 14 | L | 47.7 | Very low | 44.7 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -91.8 | -13.6 | 177.3 | -100.8 | 113.4 | 0 | 0 | 0 | 114.4 | ||
| 15 | L | 46.2 | Very low | 44.5 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -90.1 | -12.4 | 177.4 | -98.6 | 135.1 | 0 | 0 | 0 | 113.8 | ||
| 16 | L | 44.7 | Very low | 44.8 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 59% | 0.586 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -92.9 | -10.9 | -179.7 | -88.5 | 154.6 | 0 | 0 | 0 | 114.3 | L19 | L16-L19 HydrophobicContact CD2-CD1 4.44Š|
| 17 | L | 44.2 | Very low | 44.7 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -86.5 | -8.2 | 178.2 | -125.7 | 91.6 | 0 | 0 | 0 | 114.5 | L19 | L17-L19 VanDerWaalsContact C-N 3.35Š|
| 18 | V | 45.6 | Very low | 44.5 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 66% | 0.655 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -83.6 | -14.6 | 176.5 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 19 | L | 44.3 | Very low | 44.1 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -88.8 | 1.8 | -177.4 | -72.8 | 164.7 | 0 | 0 | 0 | 114.5 | L16 L17 | L16-L19 HydrophobicContact CD2-CD1 4.44Å; L17-L19 VanDerWaalsContact C-N 3.35Å |
| 20 | L | 44.6 | Very low | 43.9 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -113 | 7.9 | 180 | -74.5 | 167.8 | 0 | 0 | 0 | 114.2 | P22 | L20-P22 WeakPolarHBondContact O-CD 3.32Š|
| 21 | L | 47.1 | Very low | 43.6 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -72 | 120.3 | 165.3 | -83.6 | 141.9 | 0 | 0 | 0 | 107.9 | S23 | L21-S23 PolarHBondContact O-N 3.34Š|
| 22 | P | 42.4 | Very low | 43.6 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | trans | -56.8 | 120.8 | 173.6 | 24 | -31.1 | 0 | 0 | 0 | 107.2 | L20 L24 | L20-P22 WeakPolarHBondContact O-CD 3.32Å; P22-L24 PolarHBondContact O-N 3.01Å | ||
| 23 | S | 41 | Very low | 44 | Very low | 112 Ų | 112 | 122 Ų | 122 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | -54 | 105 | 170.9 | 51.4 | 0 | 0 | 0 | 0 | 107.1 | L21 P25 | L21-S23 PolarHBondContact O-N 3.34Å; S23-P25 VanDerWaalsContact O-N 3.16Å | ||
| 24 | L | 45.4 | Very low | 44.7 | Very low | 157 Ų | 157 | 116.8 Ų | 116.8 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | trans | -50.1 | 125.3 | 167 | -84.3 | 137 | 0 | 0 | 0 | 105.7 | P22 | P22-L24 PolarHBondContact O-N 3.01Š| ||
| 25 | P | 39.9 | Very low | 45.5 | Very low | 97 Ų | 97 | 115 Ų | 115 | 63% | 0.63 | 70% | 0.701 | S | S | * | * | trans | -54 | 145.4 | 176.5 | 24.9 | -32.6 | 0 | 0 | 0 | 107.2 | S23 T27 | S23-P25 VanDerWaalsContact O-N 3.16Å; P25-T27 PolarHBondContact O-N 2.73Å | ||
| 26 | P | 43.1 | Very low | 46.4 | Very low | 119 Ų | 119 | 111.1 Ų | 111.1 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | trans | -49.8 | 115.1 | 172.6 | 22.9 | -32.2 | 0 | 0 | 0 | 106 | C28 | P26-C28 VanDerWaalsContact C-N 3.33Å; P26-C28 PolarHBondContact O-N 2.71Å | ||
| 27 | T | 38.3 | Very low | 47.3 | Very low | 133 Ų | 133 | 107.7 Ų | 107.7 | 82% | 0.816 | 68% | 0.676 | S | S | * | * | trans | -52 | 110.2 | 170.9 | 29 | 0 | 0 | 0 | 0 | 104.1 | P25 A29 | P25-T27 PolarHBondContact O-N 2.73Å; T27-A29 PolarHBondContact O-N 2.82Å | ||
| 28 | C | 33.9 | Very low | 48.1 | Very low | 119 Ų | 119 | 103 Ų | 103 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 118.1 | 174.5 | -84.6 | 0 | 0 | 0 | 0 | 105.3 | P26 | P26-C28 VanDerWaalsContact C-N 3.33Å; P26-C28 PolarHBondContact O-N 2.71Å |
| 29 | A | 39.5 | Very low | 49.2 | Very low | 82 Ų | 82 | 100.4 Ų | 100.4 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 130.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 105.5 | T27 V31 | T27-A29 PolarHBondContact O-N 2.82Å; A29-V31 PolarHBondContact O-N 3.32Å |
| 30 | P | 44.6 | Very low | 50.5 | Low | 121 Ų | 121 | 94.7 Ų | 94.7 | 79% | 0.786 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 125.4 | -179.2 | 19.4 | -30.7 | 0 | 0 | 0 | 107.2 | P32 | P30-P32 VanDerWaalsContact O-N 3.12Š|
| 31 | V | 39.3 | Very low | 51.6 | Low | 125 Ų | 125 | 93.8 Ų | 93.8 | 76% | 0.758 | 60% | 0.601 | S | S | * | * | trans | -42.9 | 124.8 | 178.9 | 174.1 | 0 | 0 | 0 | 0 | 106.9 | A29 P33 | A29-V31 PolarHBondContact O-N 3.32Å; V31-P33 VanDerWaalsContact O-N 3.14Å | ||
| 32 | P | 49.8 | Very low | 52.2 | Low | 105 Ų | 105 | 90.6 Ų | 90.6 | 68% | 0.682 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -53 | 129.8 | -178.6 | 20.3 | -31 | 0 | 0 | 0 | 107.1 | P30 G34 | P30-P32 VanDerWaalsContact O-N 3.12Å; P32-G34 PolarHBondContact O-N 3.19Å; P32-G34 VanDerWaalsContact O-N 3.12Å |
| 33 | P | 55 | Low | 53.4 | Low | 57 Ų | 57 | 85.6 Ų | 85.6 | 37% | 0.37 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -51.2 | 129.4 | -177.8 | 18.9 | -29.9 | 0 | 0 | 0 | 107.7 | V31 A37 A38 | V31-P33 VanDerWaalsContact O-N 3.14Å; P33-A37 HydrophobicContact CB-CB 3.5Å; P33-A37 VanDerWaalsContact CB-CB 3.5Å; P33-A38 HydrophobicContact CG-CB 4.31Å |
| 34 | G | 62.3 | Low | 54.5 | Low | 42 Ų | 42 | 81.3 Ų | 81.3 | 43% | 0.433 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 156.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | P32 A36 A37 A38 | P32-G34 PolarHBondContact O-N 3.19Å; P32-G34 VanDerWaalsContact O-N 3.12Å; G34-A36 CarbonylContact O-C 3.59Å; G34-A36 PolarHBondContact O-N 3.05Å; G34-A37 WeakPolarHBondContact O-CA 3.31Å; G34-A37 PolarHBondContact O-N 3.36Å; G34-A38 PolarHBondContact O-N 3.18Å |
| 35 | P | 64.7 | Low | 55.7 | Low | 122 Ų | 122 | 74.8 Ų | 74.8 | 79% | 0.792 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -51.5 | -32.4 | -169.8 | 16 | -29.9 | 0 | 0 | 0 | 113.9 | L39 | P35-L39 WeakPolarHBondContact O-CB 3.04Å; P35-L39 PolarHBondContact O-N 2.04Å; P35-L39 VanDerWaalsContact O-N 3.08Å |
| 36 | A | 64.4 | Low | 56.9 | Low | 52 Ų | 52 | 80 Ų | 80 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G34 L39 L40 | G34-A36 CarbonylContact O-C 3.59Å; G34-A36 PolarHBondContact O-N 3.05Å; A36-L39 PolarHBondContact O-N 2.94Å; A36-L40 WeakPolarHBondContact O-CG 3.27Å; A36-L40 PolarHBondContact O-N 2.81Å |
| 37 | A | 63.9 | Low | 58.2 | Low | 40 Ų | 40 | 79.8 Ų | 79.8 | 33% | 0.331 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.8 | -34.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P33 G34 L39 L40 Q41 | P33-A37 HydrophobicContact CB-CB 3.5Å; P33-A37 VanDerWaalsContact CB-CB 3.5Å; G34-A37 WeakPolarHBondContact O-CA 3.31Å; G34-A37 PolarHBondContact O-N 3.36Å; A37-L39 VanDerWaalsContact C-N 3.31Å; A37-L39 PolarHBondContact O-N 2.85Å; A37-L40 PolarHBondContact O-N 2.79Å; A37-Q41 WeakPolarHBondContact O-CG 3.22Å; A37-Q41 PolarHBondContact O-N 2.92Å |
| 38 | A | 62.1 | Low | 59.8 | Low | 41 Ų | 41 | 75.7 Ų | 75.7 | 34% | 0.339 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P33 G34 Q41 A42 | P33-A38 HydrophobicContact CG-CB 4.31Å; G34-A38 PolarHBondContact O-N 3.18Å; A38-Q41 PolarHBondContact O-N 3.18Å; A38-A42 WeakPolarHBondContact O-CB 3.3Å; A38-A42 PolarHBondContact O-N 2.94Å |
| 39 | L | 68 | Low | 61.9 | Low | 54 Ų | 54 | 70.5 Ų | 70.5 | 28% | 0.283 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 175.4 | -169 | 67.2 | 0 | 0 | 0 | 111.8 | P35 A36 A37 Q41 A42 L43 W279 M362 | P35-L39 WeakPolarHBondContact O-CB 3.04Å; P35-L39 PolarHBondContact O-N 2.04Å; P35-L39 VanDerWaalsContact O-N 3.08Å; A36-L39 PolarHBondContact O-N 2.94Å; A37-L39 VanDerWaalsContact C-N 3.31Å; A37-L39 PolarHBondContact O-N 2.85Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 2.95Å; L39-A42 PolarHBondContact O-N 3.2Å; L39-L43 WeakPolarHBondContact O-CB 3.22Å; L39-L43 VanDerWaalsContact O-CG 3.26Å; L39-L43 WeakPolarHBondContact O-CG 3.08Å; L39-L43 PolarHBondContact O-N 2.78Å; L39-W279 HydrophobicContact CB-CH2 4.19Å; L39-W279 HydrophobicContact CB-CZ2 4.27Å; L39-W279 HydrophobicContact CD2-CH2 3.37Å; L39-W279 HydrophobicContact CD2-CZ2 3.74Å; L39-W279 HydrophobicContact CD2-CZ3 4.02Å; L39-W279 HydrophobicContact CG-CH2 3.53Å; L39-W279 HydrophobicContact CG-CZ2 4.05Å; L39-W279 HydrophobicContact CG-CZ3 4.43Å; L39-M362 HydrophobicContact CD1-CE 4.42Å |
| 40 | L | 71.1 | Confident | 63.5 | Low | 19 Ų | 19 | 75.8 Ų | 75.8 | 10% | 0.099 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 174.4 | -71 | 169.1 | 0 | 0 | 0 | 111.9 | A36 A37 L43 G44 L45 A48 W279 W282 | A36-L40 WeakPolarHBondContact O-CG 3.27Å; A36-L40 PolarHBondContact O-N 2.81Å; A37-L40 PolarHBondContact O-N 2.79Å; L40-L43 CarbonylContact O-C 3.58Å; L40-L43 WeakPolarHBondContact O-CA 3.15Å; L40-L43 PolarHBondContact O-N 2.81Å; L40-L43 VanDerWaalsContact O-N 3.14Å; L40-G44 PolarHBondContact O-N 2.93Å; L40-L45 CarbonylContact C-O 3.57Å; L40-L45 VanDerWaalsContact C-O 3.29Å; L40-L45 HydrophobicContact CB-CB 4.46Å; L40-L45 HydrophobicContact CD2-CB 4.27Å; L40-L45 HydrophobicContact CD2-CD1 4.07Å; L40-L45 PolarHBondContact O-N 3.39Å; L40-L45 VanDerWaalsContact O-O 3.04Å; L40-A48 HydrophobicContact CD1-CB 3.94Å; L40-A48 HydrophobicContact CD2-CB 4.3Å; L40-W279 HydrophobicContact CD2-CH2 4Å; L40-W279 HydrophobicContact CD2-CZ2 3.44Å; L40-W279 VanDerWaalsContact CD2-CZ2 3.44Å; L40-W279 HydrophobicContact CG-CH2 4.48Å; L40-W279 HydrophobicContact CG-CZ2 3.72Å; L40-W282 HydrophobicContact CD2-CZ2 4.16Å |
| 41 | Q | 67.2 | Low | 64.5 | Low | 126 Ų | 126 | 70.9 Ų | 70.9 | 59% | 0.589 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.1 | -42.3 | 175.8 | -74 | 178.6 | -7.5 | 0 | 0 | 112.4 | A37 A38 L39 L43 G44 | A37-Q41 WeakPolarHBondContact O-CG 3.22Å; A37-Q41 PolarHBondContact O-N 2.92Å; A38-Q41 PolarHBondContact O-N 3.18Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 2.95Å; Q41-L43 PolarHBondContact O-N 3.22Å; Q41-G44 WeakPolarHBondContact O-CA 3.35Å; Q41-G44 PolarHBondContact O-N 2.75Å |
| 42 | A | 61.2 | Low | 65.8 | Low | 69 Ų | 69 | 67 Ų | 67 | 57% | 0.57 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.5 | -33.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A38 L39 G44 | A38-A42 WeakPolarHBondContact O-CB 3.3Å; A38-A42 PolarHBondContact O-N 2.94Å; L39-A42 PolarHBondContact O-N 3.2Å; A42-G44 PolarHBondContact O-N 3.09Å |
| 43 | L | 66.2 | Low | 66.7 | Low | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 10.1 | 172.2 | -62.5 | -175.4 | 0 | 0 | 0 | 113.6 | L39 L40 Q41 L45 W279 R357 Y359 M362 | L39-L43 WeakPolarHBondContact O-CB 3.22Å; L39-L43 VanDerWaalsContact O-CG 3.26Å; L39-L43 WeakPolarHBondContact O-CG 3.08Å; L39-L43 PolarHBondContact O-N 2.78Å; L40-L43 CarbonylContact O-C 3.58Å; L40-L43 WeakPolarHBondContact O-CA 3.15Å; L40-L43 PolarHBondContact O-N 2.81Å; L40-L43 VanDerWaalsContact O-N 3.14Å; Q41-L43 PolarHBondContact O-N 3.22Å; L43-L45 HydrophobicContact CB-CD1 4.4Å; L43-L45 HydrophobicContact CB-CG 4.32Å; L43-L45 PolarHBondContact O-N 2.86Å; L43-L45 VanDerWaalsContact O-N 3.09Å; L43-W279 HydrophobicContact CD1-CE3 4.42Å; L43-W279 HydrophobicContact CD1-CH2 3.25Å; L43-W279 HydrophobicContact CD1-CZ3 3.18Å; L43-W279 HydrophobicContact CG-CH2 4.35Å; L43-R357 PolarHBondContact O-NH1 2.9Å; L43-R357 PolarHBondContact O-NH2 3.4Å; L43-R357 VanDerWaalsContact O-NH2 3.11Å; L43-Y359 VanDerWaalsContact C-CE1 3.5Å; L43-Y359 HydrophobicContact CB-CD1 4.23Å; L43-Y359 HydrophobicContact CB-CE1 3.57Å; L43-Y359 HydrophobicContact CD2-CD1 3.32Å; L43-Y359 HydrophobicContact CD2-CD2 3.82Å; L43-Y359 HydrophobicContact CD2-CE1 3.55Å; L43-Y359 HydrophobicContact CD2-CE2 3.99Å; L43-Y359 HydrophobicContact CD2-CG 3.45Å; L43-Y359 VanDerWaalsContact CD2-CG 3.45Å; L43-Y359 HydrophobicContact CG-CD1 4.33Å; L43-Y359 HydrophobicContact CG-CE1 4.1Å; L43-Y359 WeakPolarHBondContact O-CE1 3.34Å; L43-Y359 PolarHBondContact O-OH 3.47Å; L43-M362 HydrophobicContact CD2-CE 3.95Å; L43-M362 HydrophobicContact CD2-SD 3.91Å |
| 44 | G | 64.7 | Low | 66.9 | Low | 21 Ų | 21 | 72.9 Ų | 72.9 | 22% | 0.216 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 40.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L40 Q41 A42 R357 | L40-G44 PolarHBondContact O-N 2.93Å; Q41-G44 WeakPolarHBondContact O-CA 3.35Å; Q41-G44 PolarHBondContact O-N 2.75Å; A42-G44 PolarHBondContact O-N 3.09Å; G44-R357 PolarHBondContact O-NH1 3.06Å |
| 45 | L | 71 | Confident | 67 | Low | 21 Ų | 21 | 78.8 Ų | 78.8 | 11% | 0.11 | 43% | 0.434 | C | S | . | . | trans | -106.8 | 123 | 167.6 | -62.2 | 177 | 0 | 0 | 0 | 106.2 | L40 L43 W282 F347 | L40-L45 CarbonylContact C-O 3.57Å; L40-L45 VanDerWaalsContact C-O 3.29Å; L40-L45 HydrophobicContact CB-CB 4.46Å; L40-L45 HydrophobicContact CD2-CB 4.27Å; L40-L45 HydrophobicContact CD2-CD1 4.07Å; L40-L45 PolarHBondContact O-N 3.39Å; L40-L45 VanDerWaalsContact O-O 3.04Å; L43-L45 HydrophobicContact CB-CD1 4.4Å; L43-L45 HydrophobicContact CB-CG 4.32Å; L43-L45 PolarHBondContact O-N 2.86Å; L43-L45 VanDerWaalsContact O-N 3.09Å; L45-W282 HydrophobicContact CD1-CH2 3.49Å; L45-W282 VanDerWaalsContact CD1-CH2 3.49Å; L45-W282 HydrophobicContact CD1-CZ2 4.34Å; L45-W282 HydrophobicContact CD1-CZ3 3.76Å; L45-F347 HydrophobicContact CD2-CE2 3.98Å; L45-F347 HydrophobicContact CD2-CZ 4.02Å | ||
| 46 | R | 65.6 | Low | 67.5 | Low | 206 Ų | 206 | 77.7 Ų | 77.7 | 78% | 0.777 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -68 | -40.4 | 179.1 | -66 | -177.8 | 177.1 | -132 | -1.7 | 111.5 | ||
| 47 | D | 69.3 | Low | 68.4 | Low | 115 Ų | 115 | 80.5 Ų | 80.5 | 62% | 0.615 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -141.8 | 156 | 178.2 | -62.4 | -68.8 | 0 | 0 | 0 | 109.7 | P49 | D47-P49 WeakPolarHBondContact O-CD 3.44Š|
| 48 | A | 71.2 | Confident | 69.7 | Low | 47 Ų | 47 | 79.7 Ų | 79.7 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | trans | -66.2 | 130.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L40 | L40-A48 HydrophobicContact CD1-CB 3.94Å; L40-A48 HydrophobicContact CD2-CB 4.3Å | ||
| 49 | P | 77.8 | Confident | 71 | Confident | 9 Ų | 9 | 78.9 Ų | 78.9 | 6% | 0.058 | 41% | 0.41 | C | S | . | . | trans | -59 | 146.1 | 176.7 | -24.1 | 31.4 | 0 | 0 | 0 | 113.3 | D47 G51 W282 F348 N350 | D47-P49 WeakPolarHBondContact O-CD 3.44Å; P49-G51 PolarHBondContact O-N 2.86Å; P49-W282 HydrophobicContact CB-CB 3.78Å; P49-W282 HydrophobicContact CB-CD2 4.27Å; P49-W282 HydrophobicContact CB-CG 3.9Å; P49-W282 HydrophobicContact CG-CB 4.27Å; P49-W282 HydrophobicContact CG-CD2 3.85Å; P49-W282 HydrophobicContact CG-CE3 3.8Å; P49-W282 HydrophobicContact CG-CG 4.02Å; P49-W282 HydrophobicContact CG-CZ3 4.45Å; P49-F348 WeakPolarHBondContact CB-O 3.37Å; P49-F348 WeakPolarHBondContact CG-O 3.13Å; P49-N350 VanDerWaalsContact CA-OD1 3.24Å; P49-N350 WeakPolarHBondContact CA-OD1 3.06Å | ||
| 50 | Q | 73.1 | Confident | 72.1 | Confident | 194 Ų | 194 | 81 Ų | 81 | 91% | 0.907 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -63.4 | -14.6 | -173.1 | -64.9 | -175.3 | -9.2 | 0 | 0 | 113.8 | ||
| 51 | G | 66.8 | Low | 73 | Confident | 18 Ų | 18 | 81.8 Ų | 81.8 | 19% | 0.186 | 43% | 0.433 | C | S | . | . | trans | 137 | 170.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | P49 R281 | P49-G51 PolarHBondContact O-N 2.86Å; G51-R281 CarbonylContact C-O 3.52Å | ||
| 52 | A | 65.8 | Low | 74.3 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | trans | -75.8 | 131.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | R54 R281 F348 | A52-R54 PolarHBondContact O-N 3.1Å; A52-R281 WeakPolarHBondContact CA-O 3.26Å; A52-R281 WeakPolarHBondContact CB-O 2.84Å; A52-R281 PolarHBondContact N-O 2.98Å; A52-F348 HydrophobicContact CB-CD2 3.5Å; A52-F348 VanDerWaalsContact CB-CD2 3.5Å; A52-F348 HydrophobicContact CB-CE2 3.7Å; A52-F348 HydrophobicContact CB-CG 4.48Å | ||
| 53 | P | 70 | Confident | 75.7 | Confident | 33 Ų | 33 | 76.7 Ų | 76.7 | 21% | 0.214 | 39% | 0.394 | C | S | . | . | trans | -60.7 | 132.2 | 173.7 | 22.4 | -31.8 | 0 | 0 | 0 | 110.4 | L55 R56 F348 D352 | P53-L55 PolarHBondContact O-N 2.92Å; P53-R56 HydrophobicContact CB-CB 4.26Å; P53-R56 HydrophobicContact CG-CB 3.83Å; P53-F348 HydrophobicContact CG-CD1 4.02Å; P53-F348 HydrophobicContact CG-CE1 3.94Å; P53-F348 HydrophobicContact CG-CG 4.43Å; P53-F348 HydrophobicContact CG-CZ 4.29Å; P53-D352 WeakPolarHBondContact CD-OD1 3.45Å; P53-D352 HydrophobicContact CG-CB 4.12Å; P53-D352 WeakPolarHBondContact CG-OD1 3.39Å | ||
| 54 | R | 58.8 | Low | 76.9 | Confident | 251 Ų | 251 | 83.8 Ų | 83.8 | 95% | 0.947 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.2 | -171.9 | -75 | -171.9 | 170.6 | 171 | -1.6 | 115.4 | A52 | A52-R54 PolarHBondContact O-N 3.1Š|
| 55 | L | 64.7 | Low | 78.1 | Confident | 167 Ų | 167 | 83 Ų | 83 | 87% | 0.874 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | 8.2 | -168.1 | -66.1 | 171.8 | 0 | 0 | 0 | 114.3 | P53 P57 | P53-L55 PolarHBondContact O-N 2.92Å; L55-P57 WeakPolarHBondContact O-CD 3.49Å |
| 56 | R | 74.3 | Confident | 79 | Confident | 98 Ų | 98 | 82.1 Ų | 82.1 | 37% | 0.37 | 41% | 0.406 | S | S | . | . | trans | -105.1 | 110.6 | -174.6 | -166.9 | 177.3 | -78.6 | -87.6 | 9.4 | 111.5 | P53 | P53-R56 HydrophobicContact CB-CB 4.26Å; P53-R56 HydrophobicContact CG-CB 3.83Å | ||
| 57 | P | 84.1 | Confident | 80 | Confident | 111 Ų | 111 | 79 Ų | 79 | 72% | 0.721 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 148 | 174.4 | 29.7 | -33.6 | 0 | 0 | 0 | 110.7 | L55 | L55-P57 WeakPolarHBondContact O-CD 3.49Š|
| 58 | V | 90.1 | Very high | 80.3 | Confident | 24 Ų | 24 | 82.2 Ų | 82.2 | 15% | 0.145 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 125.4 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 109.3 | M62 W63 I284 L346 F348 V354 | V58-M62 HydrophobicContact CG1-CB 3.97Å; V58-W63 HydrophobicContact CG1-CG 4.27Å; V58-I284 HydrophobicContact CG2-CD1 3.56Å; V58-I284 HydrophobicContact CG2-CG1 4.19Å; V58-I284 HydrophobicContact CG2-CG2 4.1Å; V58-L346 HydrophobicContact CG1-CD2 4.11Å; V58-F348 HydrophobicContact CG2-CZ 4.07Å; V58-V354 HydrophobicContact CG1-CG1 4.11Å |
| 59 | P | 90.9 | Very high | 80.3 | Confident | 23 Ų | 23 | 81.3 Ų | 81.3 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 138.9 | -179.4 | -26.3 | 33.9 | 0 | 0 | 0 | 112.4 | V61 M62 W63 H104 | P59-V61 HydrophobicContact CB-CG1 4.01Å; P59-V61 PolarHBondContact O-N 2.84Å; P59-V61 VanDerWaalsContact O-N 3.08Å; P59-M62 HydrophobicContact CB-CG 4.22Å; P59-M62 HydrophobicContact CG-CG 4.38Å; P59-M62 WeakPolarHBondContact O-CB 3.31Å; P59-M62 PolarHBondContact O-N 2.99Å; P59-W63 PolarHBondContact O-N 3.16Å; P59-H104 HydrophobicContact CG-CB 4.31Å |
| 60 | P | 90.8 | Very high | 79.7 | Confident | 100 Ų | 100 | 81.6 Ų | 81.6 | 65% | 0.649 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -57.4 | -28.9 | -178.4 | -27.5 | 34.6 | 0 | 0 | 0 | 114.4 | M62 W63 R64 | P60-M62 VanDerWaalsContact C-N 3.32Å; P60-W63 PolarHBondContact O-N 3.47Å; P60-R64 WeakPolarHBondContact O-CB 3.45Å; P60-R64 PolarHBondContact O-N 3.03Å |
| 61 | V | 90.1 | Very high | 78.9 | Confident | 35 Ų | 35 | 75 Ų | 75 | 21% | 0.212 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 174.8 | 63.2 | 0 | 0 | 0 | 0 | 111.6 | P59 R64 L65 | P59-V61 HydrophobicContact CB-CG1 4.01Å; P59-V61 PolarHBondContact O-N 2.84Å; P59-V61 VanDerWaalsContact O-N 3.08Å; V61-R64 WeakPolarHBondContact O-CB 3.45Å; V61-R64 PolarHBondContact O-N 2.87Å; V61-L65 HydrophobicContact CG2-CD1 4.21Å; V61-L65 HydrophobicContact CG2-CG 4.48Å; V61-L65 WeakPolarHBondContact O-CG 3.43Å; V61-L65 PolarHBondContact O-N 2.86Å |
| 62 | M | 93.4 | Very high | 78.2 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.7 | -41.7 | -179.8 | -62.2 | -57.5 | -71.9 | 0 | 0 | 111.3 | V58 P59 P60 R64 L65 F66 V102 H104 L234 L346 V354 L356 | V58-M62 HydrophobicContact CG1-CB 3.97Å; P59-M62 HydrophobicContact CB-CG 4.22Å; P59-M62 HydrophobicContact CG-CG 4.38Å; P59-M62 WeakPolarHBondContact O-CB 3.31Å; P59-M62 PolarHBondContact O-N 2.99Å; P60-M62 VanDerWaalsContact C-N 3.32Å; M62-R64 VanDerWaalsContact C-N 3.31Å; M62-R64 PolarHBondContact O-N 3.47Å; M62-L65 PolarHBondContact O-N 2.92Å; M62-F66 WeakPolarHBondContact O-CB 3.41Å; M62-F66 PolarHBondContact O-N 3.08Å; M62-V102 HydrophobicContact CE-CG1 4.39Å; M62-V102 HydrophobicContact SD-CG1 4.19Å; M62-H104 HydrophobicContact CG-CB 4.05Å; M62-H104 HydrophobicContact SD-CB 3.95Å; M62-L234 HydrophobicContact SD-CD1 4.45Å; M62-L346 HydrophobicContact CB-CD1 4.06Å; M62-L346 HydrophobicContact CE-CD1 4.01Å; M62-V354 HydrophobicContact CB-CG1 4.11Å; M62-V354 HydrophobicContact CE-CG1 3.92Å; M62-V354 HydrophobicContact CG-CB 4.4Å; M62-V354 HydrophobicContact CG-CG1 3.87Å; M62-L356 HydrophobicContact CE-CB 3.64Å |
| 63 | W | 91.6 | Very high | 77.4 | Confident | 87 Ų | 87 | 80.1 Ų | 80.1 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 172.7 | -81.4 | 118.2 | 0 | 0 | 0 | 113.4 | V58 P59 P60 F66 R67 I284 A285 L346 | V58-W63 HydrophobicContact CG1-CG 4.27Å; P59-W63 PolarHBondContact O-N 3.16Å; P60-W63 PolarHBondContact O-N 3.47Å; W63-F66 HydrophobicContact CE3-CD1 4.27Å; W63-F66 HydrophobicContact CZ3-CD1 4.2Å; W63-R67 WeakPolarHBondContact O-CB 3.48Å; W63-R67 WeakPolarHBondContact O-CG 3.46Å; W63-R67 PolarHBondContact O-N 3.12Å; W63-R67 VanDerWaalsContact O-N 3.14Å; W63-R67 PolarHBondContact O-NE 3.48Å; W63-I284 HydrophobicContact CH2-CG2 3.72Å; W63-I284 HydrophobicContact CZ2-CG2 3.58Å; W63-A285 HydrophobicContact CH2-CB 3.99Å; W63-A285 HydrophobicContact CZ3-CB 3.9Å; W63-L346 HydrophobicContact CD2-CD2 4.23Å; W63-L346 HydrophobicContact CE3-CD2 4.11Å; W63-L346 HydrophobicContact CH2-CD2 4.39Å; W63-L346 HydrophobicContact CZ2-CD2 4.5Å; W63-L346 HydrophobicContact CZ3-CD2 4.19Å |
| 64 | R | 90.6 | Very high | 75.9 | Confident | 155 Ų | 155 | 82.5 Ų | 82.5 | 59% | 0.585 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.5 | -44 | 177.5 | -169.6 | -173.3 | -57.1 | 168.9 | 1.8 | 111.3 | P60 V61 M62 R68 | P60-R64 WeakPolarHBondContact O-CB 3.45Å; P60-R64 PolarHBondContact O-N 3.03Å; V61-R64 WeakPolarHBondContact O-CB 3.45Å; V61-R64 PolarHBondContact O-N 2.87Å; M62-R64 VanDerWaalsContact C-N 3.31Å; M62-R64 PolarHBondContact O-N 3.47Å; R64-R68 PolarHBondContact O-N 2.91Å |
| 65 | L | 90.1 | Very high | 75.2 | Confident | 4 Ų | 4 | 79.5 Ų | 79.5 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.1 | -43 | 177.4 | -67.7 | 171.8 | 0 | 0 | 0 | 111.6 | V61 M62 R69 V92 E94 L95 V102 L356 | V61-L65 HydrophobicContact CG2-CD1 4.21Å; V61-L65 HydrophobicContact CG2-CG 4.48Å; V61-L65 WeakPolarHBondContact O-CG 3.43Å; V61-L65 PolarHBondContact O-N 2.86Å; M62-L65 PolarHBondContact O-N 2.92Å; L65-R69 PolarHBondContact O-N 3.43Å; L65-V92 HydrophobicContact CD2-CG1 4.08Å; L65-E94 HydrophobicContact CD2-CB 3.78Å; L65-E94 HydrophobicContact CD2-CG 4.1Å; L65-L95 HydrophobicContact CD1-CD1 4.42Å; L65-L95 HydrophobicContact CD2-CG 4.36Å; L65-V102 HydrophobicContact CD1-CG1 3.95Å; L65-L356 HydrophobicContact CB-CD2 3.49Å; L65-L356 VanDerWaalsContact CB-CD2 3.49Å |
| 66 | F | 89.6 | Confident | 74 | Confident | 3 Ų | 3 | 76.9 Ų | 76.9 | 1% | 0.013 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60 | -52.9 | 177.7 | 175.8 | -96.9 | 0 | 0 | 0 | 112.1 | M62 W63 R68 R69 D70 A285 P286 S344 L346 L356 | M62-F66 WeakPolarHBondContact O-CB 3.41Å; M62-F66 PolarHBondContact O-N 3.08Å; W63-F66 HydrophobicContact CE3-CD1 4.27Å; W63-F66 HydrophobicContact CZ3-CD1 4.2Å; F66-R68 VanDerWaalsContact C-N 3.27Å; F66-R68 PolarHBondContact O-N 2.86Å; F66-R69 PolarHBondContact O-N 3.4Å; F66-D70 HydrophobicContact CE1-CB 4.36Å; F66-D70 HydrophobicContact CZ-CB 4.34Å; F66-D70 PolarHBondContact O-N 3.22Å; F66-A285 HydrophobicContact CD1-CB 4.31Å; F66-A285 HydrophobicContact CE1-CB 3.72Å; F66-A285 HydrophobicContact CE2-CB 4.04Å; F66-A285 HydrophobicContact CZ-CB 3.57Å; F66-P286 HydrophobicContact CZ-CB 4.42Å; F66-S344 WeakPolarHBondContact CE2-O 3.32Å; F66-L346 HydrophobicContact CB-CD2 4.32Å; F66-L346 HydrophobicContact CD2-CB 3.83Å; F66-L346 HydrophobicContact CE2-CB 4.32Å; F66-L346 HydrophobicContact CG-CB 4.32Å; F66-L346 HydrophobicContact CG-CD2 4.45Å; F66-L356 HydrophobicContact CB-CD1 4.12Å; F66-L356 HydrophobicContact CD2-CD1 3.81Å; F66-L356 HydrophobicContact CG-CD1 4.48Å |
| 67 | R | 86.3 | Confident | 72.2 | Confident | 141 Ų | 141 | 74.3 Ų | 74.3 | 53% | 0.532 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.9 | -26.7 | -174.8 | -75.2 | -173 | -71.3 | -174.1 | -3.1 | 114.7 | W63 | W63-R67 WeakPolarHBondContact O-CB 3.48Å; W63-R67 WeakPolarHBondContact O-CG 3.46Å; W63-R67 PolarHBondContact O-N 3.12Å; W63-R67 VanDerWaalsContact O-N 3.14Å; W63-R67 PolarHBondContact O-NE 3.48Å |
| 68 | R | 77.2 | Confident | 69.9 | Low | 183 Ų | 183 | 75.4 Ų | 75.4 | 69% | 0.691 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -79.8 | -26.5 | 176 | -78 | -168.2 | 174.7 | -98.1 | 5.7 | 113.1 | R64 F66 E94 | R64-R68 PolarHBondContact O-N 2.91Å; F66-R68 VanDerWaalsContact C-N 3.27Å; F66-R68 PolarHBondContact O-N 2.86Å; R68-E94 WeakPolarHBondContact CB-OE1 3.48Å; R68-E94 WeakPolarHBondContact CD-OE1 3.43Å |
| 69 | R | 70.4 | Confident | 67.2 | Low | 27 Ų | 27 | 85.3 Ų | 85.3 | 10% | 0.102 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -92.5 | -10.1 | 178.7 | -75.7 | -177.8 | 161.1 | -172.8 | -12.9 | 114.1 | L65 F66 P71 H91 G99 S344 | L65-R69 PolarHBondContact O-N 3.43Å; F66-R69 PolarHBondContact O-N 3.4Å; R69-P71 WeakPolarHBondContact O-CD 3.43Å; R69-H91 PolarHBondContact NH2-O 2.88Å; R69-G99 PolarHBondContact NH2-O 3.04Å; R69-S344 WeakPolarHBondContact CB-OG 3.02Å |
| 70 | D | 65.6 | Low | 64.5 | Low | 15 Ų | 15 | 96.1 Ų | 96.1 | 8% | 0.08 | 46% | 0.456 | C | S | . | . | trans | -84.3 | 106.4 | 178.8 | -172.2 | 4.8 | 0 | 0 | 0 | 112 | F66 Q72 T74 | F66-D70 HydrophobicContact CE1-CB 4.36Å; F66-D70 HydrophobicContact CZ-CB 4.34Å; F66-D70 PolarHBondContact O-N 3.22Å; D70-Q72 PolarHBondContact O-N 2.79Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.41Å; D70-Q72 PolarHBondContact OD1-N 3.49Å; D70-T74 PolarHBondContact O-OG1 2.67Å | ||
| 71 | P | 56.1 | Low | 61.7 | Low | 56 Ų | 56 | 98 Ų | 98 | 36% | 0.364 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.5 | -18.8 | 174.5 | 27 | -33.3 | 0 | 0 | 0 | 113.5 | R69 T74 R75 | R69-P71 WeakPolarHBondContact O-CD 3.43Å; P71-T74 VanDerWaalsContact C-OG1 3.3Å; P71-T74 WeakPolarHBondContact CA-OG1 3.47Å; P71-T74 PolarHBondContact O-OG1 2.76Å; P71-T74 VanDerWaalsContact O-OG1 3.09Å; P71-R75 WeakPolarHBondContact O-CG 3.3Å; P71-R75 PolarHBondContact O-N 3.03Å |
| 72 | Q | 52.1 | Low | 58.8 | Low | 62 Ų | 62 | 100.8 Ų | 100.8 | 29% | 0.29 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -79.6 | -40.1 | -178.7 | -69.6 | -133.1 | -91 | 0 | 0 | 112.9 | D70 T74 R75 | D70-Q72 PolarHBondContact O-N 2.79Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.41Å; D70-Q72 PolarHBondContact OD1-N 3.49Å; Q72-T74 VanDerWaalsContact C-N 3.35Å; Q72-R75 PolarHBondContact O-N 2.8Å |
| 73 | E | 48.2 | Very low | 56 | Low | 108 Ų | 108 | 107.3 Ų | 107.3 | 51% | 0.505 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.5 | -35.3 | 173 | -86.9 | -161.6 | 168.2 | 0 | 0 | 112.1 | R75 S76 | E73-R75 VanDerWaalsContact C-N 3.29Å; E73-R75 PolarHBondContact O-N 3.46Å; E73-S76 PolarHBondContact O-N 2.83Å |
| 74 | T | 39.3 | Very low | 53.3 | Low | 82 Ų | 82 | 106.5 Ų | 106.5 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.6 | -19.8 | 177.2 | 44.2 | 0 | 0 | 0 | 0 | 113.8 | D70 P71 Q72 G77 | D70-T74 PolarHBondContact O-OG1 2.67Å; P71-T74 VanDerWaalsContact C-OG1 3.3Å; P71-T74 WeakPolarHBondContact CA-OG1 3.47Å; P71-T74 PolarHBondContact O-OG1 2.76Å; P71-T74 VanDerWaalsContact O-OG1 3.09Å; Q72-T74 VanDerWaalsContact C-N 3.35Å; T74-G77 VanDerWaalsContact O-O 3.08Å |
| 75 | R | 43.6 | Very low | 50.7 | Low | 189 Ų | 189 | 103.7 Ų | 103.7 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -77.3 | -20.4 | 170.9 | -79.5 | 177.7 | 177.8 | 169 | 1.8 | 113.8 | P71 Q72 E73 | P71-R75 WeakPolarHBondContact O-CG 3.3Å; P71-R75 PolarHBondContact O-N 3.03Å; Q72-R75 PolarHBondContact O-N 2.8Å; E73-R75 VanDerWaalsContact C-N 3.29Å; E73-R75 PolarHBondContact O-N 3.46Å |
| 76 | S | 40.2 | Very low | 48.4 | Very low | 112 Ų | 112 | 109.2 Ų | 109.2 | 78% | 0.783 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -87.5 | -15.2 | 180 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | E73 | E73-S76 PolarHBondContact O-N 2.83Å |
| 77 | G | 35.4 | Very low | 46.7 | Very low | 44 Ų | 44 | 114.6 Ų | 114.6 | 45% | 0.454 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -104.2 | 120.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T74 R79 | T74-G77 VanDerWaalsContact O-O 3.08Å; G77-R79 VanDerWaalsContact C-N 3.27Å; G77-R79 PolarHBondContact O-N 2.95Å |
| 78 | S | 35.8 | Very low | 45.3 | Very low | 133 Ų | 133 | 114.1 Ų | 114.1 | 93% | 0.93 | 61% | 0.606 | S | S | * | * | trans | -61.5 | 81.8 | 175.9 | 174.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 79 | R | 34 | Very low | 44.6 | Very low | 232 Ų | 232 | 108 Ų | 108 | 88% | 0.875 | 59% | 0.59 | S | S | * | * | trans | -135.1 | 104.5 | 158.1 | -104.8 | -177.2 | -178 | -179.3 | 1 | 108.3 | G77 M81 | G77-R79 VanDerWaalsContact C-N 3.27Å; G77-R79 PolarHBondContact O-N 2.95Å; R79-M81 PolarHBondContact O-N 2.77Å | ||
| 80 | R | 33.7 | Very low | 44.9 | Very low | 250 Ų | 250 | 107 Ų | 107 | 94% | 0.943 | 59% | 0.587 | S | S | * | * | trans | -44.8 | 109.9 | 165.1 | -108.1 | 176.9 | -101.4 | -156.1 | -6 | 108.6 | S82 | R80-S82 PolarHBondContact O-N 2.91Š| ||
| 81 | M | 33.5 | Very low | 45.7 | Very low | 141 Ų | 141 | 108.4 Ų | 108.4 | 70% | 0.695 | 59% | 0.593 | S | S | * | * | trans | -63.2 | 126.1 | 165.2 | -169.6 | 71 | 169.3 | 0 | 0 | 106.9 | R79 V85 | R79-M81 PolarHBondContact O-N 2.77Å; M81-V85 HydrophobicContact CE-CB 4.27Å | ||
| 82 | S | 28.8 | Very low | 47 | Very low | 92 Ų | 92 | 105.8 Ų | 105.8 | 64% | 0.643 | 58% | 0.576 | S | S | * | * | trans | -57.5 | 131.3 | 173.8 | -65 | 0 | 0 | 0 | 0 | 109.5 | R80 G84 | R80-S82 PolarHBondContact O-N 2.91Å; S82-G84 PolarHBondContact O-N 3.09Å | ||
| 83 | P | 35 | Very low | 48.2 | Very low | 138 Ų | 138 | 107.2 Ų | 107.2 | 90% | 0.896 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 100.4 | 177.5 | 28.8 | -30.2 | 0 | 0 | 0 | 107.8 | ||
| 84 | G | 33.7 | Very low | 49.8 | Very low | 69 Ų | 69 | 105.7 Ų | 105.7 | 71% | 0.711 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.5 | -15 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | S82 T86 | S82-G84 PolarHBondContact O-N 3.09Å; G84-T86 PolarHBondContact O-N 2.78Å |
| 85 | V | 36.1 | Very low | 51.9 | Low | 97 Ų | 97 | 102.9 Ų | 102.9 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | trans | -88.1 | 89.1 | 172.5 | -172.3 | 0 | 0 | 0 | 0 | 108.2 | M81 L87 | M81-V85 HydrophobicContact CE-CB 4.27Å; V85-L87 PolarHBondContact O-N 3.19Å | ||
| 86 | T | 42.8 | Very low | 53.8 | Low | 120 Ų | 120 | 96.3 Ų | 96.3 | 74% | 0.736 | 55% | 0.548 | S | S | * | . | trans | -61.2 | 103.7 | 159.9 | 48.5 | 0 | 0 | 0 | 0 | 106.8 | G84 Q88 | G84-T86 PolarHBondContact O-N 2.78Å; T86-Q88 PolarHBondContact O-N 2.85Å | ||
| 87 | L | 52.8 | Low | 56.1 | Low | 115 Ų | 115 | 91.7 Ų | 91.7 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | trans | -52.4 | 112.7 | 163.6 | -79.2 | 158.1 | 0 | 0 | 0 | 106.5 | V85 P89 | V85-L87 PolarHBondContact O-N 3.19Å; L87-P89 WeakPolarHBondContact O-CD 3.13Å | ||
| 88 | Q | 56.7 | Low | 58.5 | Low | 132 Ų | 132 | 91.7 Ų | 91.7 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | trans | -59.2 | 123.6 | 173.8 | -80.9 | -116.4 | -59.8 | 0 | 0 | 107.3 | T86 C90 H91 | T86-Q88 PolarHBondContact O-N 2.85Å; Q88-C90 PolarHBondContact O-N 2.91Å; Q88-H91 HydrophobicContact CB-CB 3.9Å; Q88-H91 PolarHBondContact O-N 3.49Å | ||
| 89 | P | 62.3 | Low | 60.9 | Low | 54 Ų | 54 | 85.4 Ų | 85.4 | 35% | 0.351 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 131.6 | 177.6 | -25 | 33.5 | 0 | 0 | 0 | 109.4 | L87 H91 L246 | L87-P89 WeakPolarHBondContact O-CD 3.13Å; P89-H91 PolarHBondContact O-N 2.88Å; P89-L246 HydrophobicContact CG-CD1 3.94Å; P89-L246 HydrophobicContact CG-CG 3.96Å |
| 90 | C | 76.9 | Confident | 63.5 | Low | 7 Ų | 7 | 74.4 Ų | 74.4 | 5% | 0.047 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 44.9 | 178.7 | -56.9 | 0 | 0 | 0 | 0 | 115.5 | Q88 G99 N100 L238 C243 | Q88-C90 PolarHBondContact O-N 2.91Å; C90-G99 CarbonylContact C-O 3.45Å; C90-G99 PolarHBondContact O-N 3.06Å; C90-N100 HydrophobicContact CB-CB 4.11Å; C90-L238 HydrophobicContact CB-CD1 3.5Å; C90-L238 VanDerWaalsContact CB-CD1 3.5Å; C90-C243 HydrophobicContact CB-CB 3.87Å; C90-C243 WeakPolarHBondContact CB-SG 3.17Å; C90-C243 WeakPolarHBondContact SG-CA 3.47Å; C90-C243 WeakPolarHBondContact SG-CB 3.46Å; C90-C243 CovalentContact SG-SG 2.02Å; C90-C243 PolarHBondContact SG-SG 3.45Å |
| 91 | H | 82.1 | Confident | 66.2 | Low | 43 Ų | 43 | 62.5 Ų | 62.5 | 20% | 0.199 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 135.1 | 169.4 | -170.2 | -106.4 | 0 | 0 | 0 | 111.4 | R69 Q88 P89 E93 V97 A98 | R69-H91 PolarHBondContact NH2-O 2.88Å; Q88-H91 HydrophobicContact CB-CB 3.9Å; Q88-H91 PolarHBondContact O-N 3.49Å; P89-H91 PolarHBondContact O-N 2.88Å; H91-E93 IonicContact CE1-OE1 3.82Å; H91-E93 IonicContact CE1-OE2 3.91Å; H91-E93 IonicContact CG-OE1 3.72Å; H91-E93 IonicContact ND1-OE1 3.66Å; H91-E93 PolarHBondContact ND1-OE1 2.93Å; H91-E93 IonicContact ND1-OE2 3.51Å; H91-E93 PolarHBondContact ND1-OE2 2.82Å; H91-V97 PolarHBondContact CD2-O 3.21Å; H91-V97 PolarHBondContact NE2-N 3.4Å; H91-A98 PolarHBondContact CD2-N 3.47Å |
| 92 | V | 83.6 | Confident | 69.1 | Low | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 88.3 | 174 | -166.4 | 0 | 0 | 0 | 0 | 108.4 | L65 E94 L95 G96 V97 G99 V102 V236 | L65-V92 HydrophobicContact CD2-CG1 4.08Å; V92-E94 VanDerWaalsContact C-N 3.34Å; V92-E94 PolarHBondContact O-N 2.79Å; V92-L95 HydrophobicContact CB-CB 4.17Å; V92-L95 HydrophobicContact CG1-CB 3.91Å; V92-L95 HydrophobicContact CG1-CD1 3.92Å; V92-L95 HydrophobicContact CG1-CG 3.85Å; V92-L95 CarbonylContact O-C 3.5Å; V92-L95 PolarHBondContact O-N 2.94Å; V92-G96 PolarHBondContact O-N 3.19Å; V92-V97 HydrophobicContact CB-CG2 4.35Å; V92-V97 PolarHBondContact N-O 3.39Å; V92-V97 PolarHBondContact O-N 3.44Å; V92-G99 VanDerWaalsContact CG2-O 3.28Å; V92-G99 WeakPolarHBondContact CG2-O 3.46Å; V92-V102 HydrophobicContact CG1-CG2 4.37Å; V92-V102 HydrophobicContact CG2-CG2 3.91Å; V92-V236 HydrophobicContact CG2-CG1 3.76Å |
| 93 | E | 78.8 | Confident | 72.2 | Confident | 93 Ų | 93 | 51.9 Ų | 51.9 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -53.2 | -44.5 | -174.6 | -66.2 | -59.2 | 150 | 0 | 0 | 113.5 | H91 L95 G96 | H91-E93 IonicContact CE1-OE1 3.82Å; H91-E93 IonicContact CE1-OE2 3.91Å; H91-E93 IonicContact CG-OE1 3.72Å; H91-E93 IonicContact ND1-OE1 3.66Å; H91-E93 PolarHBondContact ND1-OE1 2.93Å; H91-E93 IonicContact ND1-OE2 3.51Å; H91-E93 PolarHBondContact ND1-OE2 2.82Å; E93-L95 PolarHBondContact O-N 2.8Å; E93-L95 VanDerWaalsContact O-N 3.17Å; E93-G96 PolarHBondContact O-N 3.38Å |
| 94 | E | 80.7 | Confident | 75.1 | Confident | 75 Ų | 75 | 46.5 Ų | 46.5 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -65.6 | -24.1 | -178.2 | -60.5 | 80.1 | -174.9 | 0 | 0 | 113.1 | L65 R68 V92 | L65-E94 HydrophobicContact CD2-CB 3.78Å; L65-E94 HydrophobicContact CD2-CG 4.1Å; R68-E94 WeakPolarHBondContact CB-OE1 3.48Å; R68-E94 WeakPolarHBondContact CD-OE1 3.43Å; V92-E94 VanDerWaalsContact C-N 3.34Å; V92-E94 PolarHBondContact O-N 2.79Å |
| 95 | L | 83.1 | Confident | 78 | Confident | 24 Ų | 24 | 43.2 Ų | 43.2 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -98.9 | -12.8 | 176.5 | -63 | -174.9 | 0 | 0 | 0 | 111 | L65 V92 E93 V97 R144 L234 V236 | L65-L95 HydrophobicContact CD1-CD1 4.42Å; L65-L95 HydrophobicContact CD2-CG 4.36Å; V92-L95 HydrophobicContact CB-CB 4.17Å; V92-L95 HydrophobicContact CG1-CB 3.91Å; V92-L95 HydrophobicContact CG1-CD1 3.92Å; V92-L95 HydrophobicContact CG1-CG 3.85Å; V92-L95 CarbonylContact O-C 3.5Å; V92-L95 PolarHBondContact O-N 2.94Å; E93-L95 PolarHBondContact O-N 2.8Å; E93-L95 VanDerWaalsContact O-N 3.17Å; L95-V97 VanDerWaalsContact C-N 3.25Å; L95-V97 HydrophobicContact CB-CG2 3.8Å; L95-V97 PolarHBondContact O-N 2.88Å; L95-R144 PolarHBondContact O-NH1 3.5Å; L95-R144 PolarHBondContact O-NH2 3.25Å; L95-L234 HydrophobicContact CD1-CD2 4.26Å; L95-L234 HydrophobicContact CD2-CD2 4.41Å; L95-V236 HydrophobicContact CD1-CG2 3.54Å |
| 96 | G | 84.3 | Confident | 80.6 | Confident | 50 Ų | 50 | 39.1 Ų | 39.1 | 52% | 0.515 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 37.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V92 E93 | V92-G96 PolarHBondContact O-N 3.19Å; E93-G96 PolarHBondContact O-N 3.38Å |
| 97 | V | 87.3 | Confident | 83 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 10% | 0.097 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 146.3 | 179 | -65.6 | 0 | 0 | 0 | 0 | 110.7 | H91 V92 L95 R144 V236 | H91-V97 PolarHBondContact CD2-O 3.21Å; H91-V97 PolarHBondContact NE2-N 3.4Å; V92-V97 HydrophobicContact CB-CG2 4.35Å; V92-V97 PolarHBondContact N-O 3.39Å; V92-V97 PolarHBondContact O-N 3.44Å; L95-V97 VanDerWaalsContact C-N 3.25Å; L95-V97 HydrophobicContact CB-CG2 3.8Å; L95-V97 PolarHBondContact O-N 2.88Å; V97-R144 HydrophobicContact CG1-CB 4.37Å; V97-R144 VanDerWaalsContact CG1-CZ 3.45Å; V97-R144 VanDerWaalsContact CG1-NH2 3.33Å; V97-R144 HydrophobicContact CG2-CB 4.39Å; V97-V236 HydrophobicContact CG2-CB 4.13Å; V97-V236 HydrophobicContact CG2-CG1 3.83Å; V97-V236 HydrophobicContact CG2-CG2 4.15Å |
| 98 | A | 86.4 | Confident | 84.5 | Confident | 44 Ų | 44 | 35.5 Ų | 35.5 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 143.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | H91 S143 | H91-A98 PolarHBondContact CD2-N 3.47Å; A98-S143 WeakPolarHBondContact O-CB 3.39Å; A98-S143 PolarHBondContact O-OG 3.14Å |
| 99 | G | 87.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | 153.7 | 139.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R69 C90 V92 T237 | R69-G99 PolarHBondContact NH2-O 3.04Å; C90-G99 CarbonylContact C-O 3.45Å; C90-G99 PolarHBondContact O-N 3.06Å; V92-G99 VanDerWaalsContact CG2-O 3.28Å; V92-G99 WeakPolarHBondContact CG2-O 3.46Å; G99-T237 VanDerWaalsContact CA-O 3.26Å; G99-T237 WeakPolarHBondContact CA-O 3.24Å | ||
| 100 | N | 86.8 | Confident | 84.2 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -113.8 | -6.6 | 173.9 | 61.6 | -42 | 0 | 0 | 0 | 112.4 | C90 T237 L238 D239 L242 C243 R357 Q358 | C90-N100 HydrophobicContact CB-CB 4.11Å; N100-T237 PolarHBondContact N-O 3.4Å; N100-T237 PolarHBondContact OD1-O 2.82Å; N100-L238 WeakPolarHBondContact OD1-CA 3.42Å; N100-D239 PolarHBondContact OD1-N 3.47Å; N100-L242 WeakPolarHBondContact ND2-CB 3.44Å; N100-C243 VanDerWaalsContact CG-SG 3.59Å; N100-R357 WeakPolarHBondContact O-CA 3.24Å; N100-Q358 HydrophobicContact CB-CB 4.46Å; N100-Q358 PolarHBondContact O-N 3Å |
| 101 | I | 91.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125.4 | 178.7 | -47.3 | 167.3 | 0 | 0 | 0 | 109.2 | R103 E140 V236 T237 D239 V355 L356 R357 | I101-R103 HydrophobicContact CG2-CG 4.28Å; I101-R103 VanDerWaalsContact CG2-NH1 3.29Å; I101-E140 HydrophobicContact CD1-CG 4.26Å; I101-E140 WeakPolarHBondContact CD1-OE2 3.32Å; I101-V236 WeakPolarHBondContact O-CA 3.41Å; I101-T237 PolarHBondContact N-O 2.98Å; I101-T237 PolarHBondContact O-N 2.93Å; I101-D239 HydrophobicContact CD1-CB 4.14Å; I101-V355 HydrophobicContact CG2-CG1 3.9Å; I101-L356 WeakPolarHBondContact CA-O 3.22Å; I101-R357 HydrophobicContact CG1-CG 4.05Å |
| 102 | V | 94.3 | Very high | 80.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.8 | 174.8 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | M62 L65 V92 L234 L235 V236 V355 L356 | M62-V102 HydrophobicContact CE-CG1 4.39Å; M62-V102 HydrophobicContact SD-CG1 4.19Å; L65-V102 HydrophobicContact CD1-CG1 3.95Å; V92-V102 HydrophobicContact CG1-CG2 4.37Å; V92-V102 HydrophobicContact CG2-CG2 3.91Å; V102-L234 HydrophobicContact CG1-CD1 3.81Å; V102-L235 CarbonylContact C-O 3.58Å; V102-L235 WeakPolarHBondContact CA-O 3.45Å; V102-V236 HydrophobicContact CG1-CG2 4.32Å; V102-V236 HydrophobicContact CG2-CG1 4.33Å; V102-V236 HydrophobicContact CG2-CG2 4.25Å; V102-V355 CarbonylContact O-C 3.48Å; V102-V355 WeakPolarHBondContact O-CA 3.38Å; V102-L356 HydrophobicContact CB-CB 4.31Å; V102-L356 PolarHBondContact N-O 3.1Å; V102-L356 PolarHBondContact O-N 3.49Å |
| 103 | R | 94.7 | Very high | 78.5 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.1 | 178.1 | -56.9 | -174.4 | 173.8 | 78.5 | -10 | 110.1 | I101 I105 A135 E140 L234 L235 T237 V354 V355 | I101-R103 HydrophobicContact CG2-CG 4.28Å; I101-R103 VanDerWaalsContact CG2-NH1 3.29Å; R103-I105 HydrophobicContact CB-CD1 4.1Å; R103-I105 HydrophobicContact CB-CG1 3.9Å; R103-A135 PolarHBondContact NH2-O 2.82Å; R103-A135 VanDerWaalsContact NH2-O 3.08Å; R103-E140 IonicContact CZ-OE1 3.13Å; R103-E140 IonicContact CZ-OE2 3.83Å; R103-E140 IonicContact NH1-OE1 3.76Å; R103-E140 IonicContact NH1-OE2 2.77Å; R103-E140 PolarHBondContact NH1-OE2 3.27Å; R103-E140 VanDerWaalsContact NH2-CD 3.31Å; R103-E140 IonicContact NH2-OE1 3.36Å; R103-E140 PolarHBondContact NH2-OE1 3.35Å; R103-E140 IonicContact NH2-OE2 2.7Å; R103-E140 PolarHBondContact NH2-OE2 3.09Å; R103-E140 VanDerWaalsContact NH2-OE2 3.08Å; R103-L234 WeakPolarHBondContact O-CA 3.43Å; R103-L235 HydrophobicContact CB-CB 4.37Å; R103-L235 PolarHBondContact N-O 2.99Å; R103-L235 PolarHBondContact O-N 2.7Å; R103-T237 PolarHBondContact NH1-OG1 2.72Å; R103-T237 VanDerWaalsContact NH1-OG1 3.07Å; R103-V354 CarbonylContact C-O 3.6Å; R103-V354 WeakPolarHBondContact CA-O 3.41Å; R103-V355 HydrophobicContact CG-CG1 4.15Å; R103-V355 HydrophobicContact CG-CG2 4.04Å |
| 104 | H | 95.3 | Very high | 76.4 | Confident | 25 Ų | 25 | 50 Ų | 50 | 12% | 0.116 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 109.4 | 164.4 | 176 | -74.5 | 0 | 0 | 0 | 108.5 | P59 M62 S232 V354 | P59-H104 HydrophobicContact CG-CB 4.31Å; M62-H104 HydrophobicContact CG-CB 4.05Å; M62-H104 HydrophobicContact SD-CB 3.95Å; H104-S232 VanDerWaalsContact CE1-CB 3.48Å; H104-S232 WeakPolarHBondContact CE1-CB 3.41Å; H104-S232 VanDerWaalsContact NE2-CB 3.33Å; H104-S232 WeakPolarHBondContact NE2-CB 3.02Å; H104-S232 PolarHBondContact NE2-OG 3.18Å; H104-S232 VanDerWaalsContact NE2-OG 3.1Å; H104-V354 HydrophobicContact CB-CB 4.42Å; H104-V354 PolarHBondContact N-O 2.96Å; H104-V354 PolarHBondContact O-N 3.42Å |
| 105 | I | 94 | Very high | 74.3 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 106.9 | -171.3 | -53.8 | 179.6 | 0 | 0 | 0 | 107.7 | R103 F131 L133 S232 L233 L235 N353 | R103-I105 HydrophobicContact CB-CD1 4.1Å; R103-I105 HydrophobicContact CB-CG1 3.9Å; I105-F131 HydrophobicContact CG2-CB 3.89Å; I105-F131 HydrophobicContact CG2-CD1 4.16Å; I105-F131 HydrophobicContact CG2-CG 4.48Å; I105-F131 WeakPolarHBondContact O-CD1 3.38Å; I105-L133 HydrophobicContact CD1-CD2 3.33Å; I105-L133 HydrophobicContact CG2-CD2 4.45Å; I105-S232 CarbonylContact O-C 3.55Å; I105-S232 WeakPolarHBondContact O-CA 3.47Å; I105-L233 HydrophobicContact CB-CB 4.27Å; I105-L233 PolarHBondContact N-O 3.01Å; I105-L233 PolarHBondContact O-N 2.75Å; I105-L235 HydrophobicContact CD1-CB 4.35Å; I105-L235 HydrophobicContact CD1-CD2 4.21Å; I105-N353 HydrophobicContact CG1-CB 4.3Å; I105-N353 WeakPolarHBondContact CG2-OD1 3.23Å |
| 106 | P | 92.3 | Very high | 72.1 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 156.8 | 178.4 | 33.4 | -36.5 | 0 | 0 | 0 | 111 | R108 N353 | P106-R108 PolarHBondContact O-N 3.4Å; P106-N353 WeakPolarHBondContact CD-OD1 3.4Å |
| 107 | D | 91.8 | Very high | 70 | Confident | 48 Ų | 48 | 59.8 Ų | 59.8 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | trans | -60.6 | 132.7 | 166.7 | -178.8 | 26.3 | 0 | 0 | 0 | 111.1 | G109 V129 V130 F131 A231 | D107-G109 WeakPolarHBondContact OD1-CA 3.48Å; D107-G109 PolarHBondContact OD1-N 3.01Å; D107-V129 HydrophobicContact CB-CB 4.44Å; D107-V129 WeakPolarHBondContact OD1-CA 3.42Å; D107-V130 PolarHBondContact OD1-N 3.37Å; D107-F131 HydrophobicContact CB-CE1 4.21Å; D107-A231 HydrophobicContact CB-CB 4.1Å; D107-A231 WeakPolarHBondContact CB-O 3.31Å; D107-A231 PolarHBondContact N-O 3.14Å | ||
| 108 | R | 84.2 | Confident | 67.7 | Low | 111 Ų | 111 | 62.8 Ų | 62.8 | 42% | 0.419 | 38% | 0.378 | S | S | . | . | trans | -102.6 | -1.1 | 173 | -67.6 | -162.3 | 169.8 | -153.8 | -33.4 | 112.6 | P106 V130 D132 S351 D352 | P106-R108 PolarHBondContact O-N 3.4Å; R108-V130 PolarHBondContact N-O 3.35Å; R108-D132 IonicContact CZ-OD2 3.08Å; R108-D132 IonicContact NE-OD2 3.42Å; R108-D132 IonicContact NH1-OD2 2.85Å; R108-D132 PolarHBondContact NH1-OD2 2.98Å; R108-S351 PolarHBondContact NH2-O 3.09Å; R108-D352 IonicContact NH2-OD2 3.67Å | ||
| 109 | G | 63.8 | Low | 65.8 | Low | 25 Ų | 25 | 66.1 Ų | 66.1 | 26% | 0.258 | 40% | 0.399 | S | S | . | . | trans | -53.7 | 136.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D107 | D107-G109 WeakPolarHBondContact OD1-CA 3.48Å; D107-G109 PolarHBondContact OD1-N 3.01Å | ||
| 110 | A | 49.9 | Very low | 63.9 | Low | 80 Ų | 80 | 68.8 Ų | 68.8 | 66% | 0.661 | 42% | 0.421 | S | S | * | . | trans | -56 | 150.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T112 | A110-T112 PolarHBondContact O-N 3.48Š| ||
| 111 | P | 46.2 | Very low | 62.3 | Low | 126 Ų | 126 | 75.2 Ų | 75.2 | 82% | 0.818 | 46% | 0.46 | S | S | * | . | trans | -52.7 | 113.4 | 168.1 | 22.9 | -31.3 | 0 | 0 | 0 | 106.9 | R113 | P111-R113 PolarHBondContact O-N 2.8Š| ||
| 112 | T | 39.9 | Very low | 60.6 | Low | 72 Ų | 72 | 78.5 Ų | 78.5 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | trans | -49.4 | 117.6 | 169.8 | 41.7 | 0 | 0 | 0 | 0 | 105.3 | A110 A114 | A110-T112 PolarHBondContact O-N 3.48Å; T112-A114 PolarHBondContact O-N 2.89Å | ||
| 113 | R | 36.5 | Very low | 59.6 | Low | 242 Ų | 242 | 85.7 Ų | 85.7 | 91% | 0.913 | 53% | 0.527 | S | S | * | . | trans | -41.2 | 118.6 | 166.3 | -101.9 | 179.9 | 173 | 155.5 | -2.5 | 105 | P111 S115 | P111-R113 PolarHBondContact O-N 2.8Å; R113-S115 PolarHBondContact O-N 3.02Å | ||
| 114 | A | 35.3 | Very low | 58.9 | Low | 90 Ų | 90 | 86.3 Ų | 86.3 | 74% | 0.744 | 53% | 0.533 | S | S | * | . | trans | -47.8 | 111.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | T112 D116 | T112-A114 PolarHBondContact O-N 2.89Å; A114-D116 PolarHBondContact O-N 3.02Å | ||
| 115 | S | 36.6 | Very low | 58.2 | Low | 91 Ų | 91 | 87.2 Ų | 87.2 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | trans | -53.8 | 124.9 | 156 | 48.7 | 0 | 0 | 0 | 0 | 104.4 | R113 | R113-S115 PolarHBondContact O-N 3.02Š| ||
| 116 | D | 35.4 | Very low | 57.8 | Low | 140 Ų | 140 | 91.8 Ų | 91.8 | 75% | 0.749 | 56% | 0.562 | S | S | * | * | trans | -37.8 | 149.1 | -177.4 | -96.3 | -46.5 | 0 | 0 | 0 | 112.7 | A114 A118 | A114-D116 PolarHBondContact O-N 3.02Å; D116-A118 PolarHBondContact O-N 3.15Å | ||
| 117 | P | 41.5 | Very low | 57.5 | Low | 123 Ų | 123 | 92.2 Ų | 92.2 | 80% | 0.799 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -72.6 | 71.1 | 179.3 | 34.2 | -34.4 | 0 | 0 | 0 | 109.8 | ||
| 118 | A | 39 | Very low | 57.4 | Low | 79 Ų | 79 | 93.3 Ų | 93.3 | 65% | 0.653 | 57% | 0.571 | S | S | * | * | trans | -115.1 | 76.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | D116 A120 | D116-A118 PolarHBondContact O-N 3.15Å; A118-A120 PolarHBondContact O-N 3.11Å | ||
| 119 | S | 45.8 | Very low | 57.7 | Low | 115 Ų | 115 | 88 Ų | 88 | 80% | 0.804 | 55% | 0.551 | S | S | * | * | trans | -62.1 | 72 | 158 | -58.6 | 0 | 0 | 0 | 0 | 108.3 | V121 | S119-V121 PolarHBondContact O-N 3.16Š| ||
| 120 | A | 47.8 | Very low | 59 | Low | 55 Ų | 55 | 88.3 Ų | 88.3 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | trans | -61.8 | 120.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | A118 G122 H123 | A118-A120 PolarHBondContact O-N 3.11Å; A120-G122 PolarHBondContact O-N 2.83Å; A120-H123 PolarHBondContact O-N 2.77Å | ||
| 121 | V | 52.3 | Low | 61 | Low | 136 Ų | 136 | 84.5 Ų | 84.5 | 82% | 0.824 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.3 | 112 | 174.1 | 176.7 | 0 | 0 | 0 | 0 | 108.1 | S119 | S119-V121 PolarHBondContact O-N 3.16Š|
| 122 | G | 56.9 | Low | 63.2 | Low | 69 Ų | 69 | 79.4 Ų | 79.4 | 71% | 0.711 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.4 | -11.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | A120 | A120-G122 PolarHBondContact O-N 2.83Š|
| 123 | H | 72.7 | Confident | 65.6 | Low | 152 Ų | 152 | 76.1 Ų | 76.1 | 70% | 0.704 | 46% | 0.462 | S | S | * | . | trans | -110.2 | 85.5 | 177.9 | -66.7 | 90.4 | 0 | 0 | 0 | 112 | A120 | A120-H123 PolarHBondContact O-N 2.77Š| ||
| 124 | C | 78.8 | Confident | 68 | Low | 24 Ų | 24 | 68 Ų | 68 | 16% | 0.162 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 144.1 | 175.1 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | P219 C225 | C124-P219 VanDerWaalsContact SG-CD 3.59Å; C124-C225 WeakPolarHBondContact CA-SG 3.4Å; C124-C225 HydrophobicContact CB-CB 3.75Å; C124-C225 WeakPolarHBondContact CB-SG 3.44Å; C124-C225 WeakPolarHBondContact SG-CB 3.43Å; C124-C225 CovalentContact SG-SG 2.04Å; C124-C225 PolarHBondContact SG-SG 2.83Å |
| 125 | P | 80.6 | Confident | 70.4 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 29% | 0.286 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 145.4 | -180 | 27.4 | -34.6 | 0 | 0 | 0 | 111.2 | W127 | P125-W127 HydrophobicContact CB-CZ2 4.41Å; P125-W127 HydrophobicContact CG-CH2 4.29Å; P125-W127 HydrophobicContact CG-CZ2 3.66Å |
| 126 | E | 85.6 | Confident | 72.9 | Confident | 95 Ų | 95 | 61.7 Ų | 61.7 | 44% | 0.444 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 141.1 | 170.3 | -58.1 | -170.1 | 165.1 | 0 | 0 | 108.9 | L215 A216 R218 | E126-L215 WeakPolarHBondContact CA-O 3.33Å; E126-A216 HydrophobicContact CG-CB 3.93Å; E126-R218 IonicContact OE1-NH2 3.95Å; E126-R218 PolarHBondContact OE1-NH2 2.72Å; E126-R218 VanDerWaalsContact OE1-NH2 3.16Å |
| 127 | W | 87.9 | Confident | 75.3 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 8% | 0.076 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.6 | -178 | -55 | -79 | 0 | 0 | 0 | 110.7 | P125 F151 A214 L215 L217 A226 L228 | P125-W127 HydrophobicContact CB-CZ2 4.41Å; P125-W127 HydrophobicContact CG-CH2 4.29Å; P125-W127 HydrophobicContact CG-CZ2 3.66Å; W127-F151 HydrophobicContact CH2-CE1 4.09Å; W127-F151 AromaticContact CZ3-CE1 3.92Å; W127-F151 HydrophobicContact CZ3-CE1 3.92Å; W127-A214 CarbonylContact O-C 3.55Å; W127-A214 WeakPolarHBondContact O-CA 3.38Å; W127-L215 HydrophobicContact CB-CB 4.44Å; W127-L215 HydrophobicContact CE3-CB 4.33Å; W127-L215 PolarHBondContact N-O 2.66Å; W127-L215 PolarHBondContact O-N 3.46Å; W127-L217 HydrophobicContact CH2-CB 4.31Å; W127-L217 HydrophobicContact CZ3-CB 3.89Å; W127-A226 VanDerWaalsContact CH2-O 3.3Å; W127-A226 WeakPolarHBondContact CH2-O 3.3Å; W127-A226 VanDerWaalsContact CZ2-O 3.22Å; W127-A226 WeakPolarHBondContact CZ2-O 3.35Å; W127-L228 HydrophobicContact CB-CD2 3.94Å; W127-L228 HydrophobicContact CD2-CB 3.76Å; W127-L228 HydrophobicContact CD2-CD2 4.21Å; W127-L228 HydrophobicContact CE3-CB 4.27Å; W127-L228 HydrophobicContact CG-CB 4.04Å; W127-L228 HydrophobicContact CG-CD2 3.92Å; W127-L228 HydrophobicContact CZ2-CB 4.09Å |
| 128 | T | 88.5 | Confident | 77.3 | Confident | 70 Ų | 70 | 56.6 Ų | 56.6 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 115.7 | 171.7 | -59.9 | 0 | 0 | 0 | 0 | 109.1 | A168 L213 | T128-A168 HydrophobicContact CG2-CB 4.29Å; T128-L213 WeakPolarHBondContact CA-O 3.42Å |
| 129 | V | 90.6 | Very high | 79.5 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 145.3 | 176.9 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | D107 F131 R212 L213 L215 L228 A231 | D107-V129 HydrophobicContact CB-CB 4.44Å; D107-V129 WeakPolarHBondContact OD1-CA 3.42Å; V129-F131 HydrophobicContact CB-CE2 4.32Å; V129-F131 HydrophobicContact CB-CZ 4.24Å; V129-F131 HydrophobicContact CG2-CE2 3.65Å; V129-F131 HydrophobicContact CG2-CZ 3.91Å; V129-R212 WeakPolarHBondContact O-CA 3.45Å; V129-L213 HydrophobicContact CG2-CB 3.83Å; V129-L213 PolarHBondContact N-O 3.25Å; V129-L213 PolarHBondContact O-N 3.24Å; V129-L215 HydrophobicContact CB-CD1 4.45Å; V129-L215 HydrophobicContact CG1-CD1 3.71Å; V129-L215 HydrophobicContact CG2-CD1 3.83Å; V129-L215 HydrophobicContact CG2-CG 4.13Å; V129-L228 HydrophobicContact CG1-CD2 4.13Å; V129-A231 HydrophobicContact CG1-CB 3.83Å |
| 130 | V | 91.5 | Very high | 81.5 | Confident | 30 Ų | 30 | 49.3 Ų | 49.3 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 116.8 | -175.7 | -174.3 | 0 | 0 | 0 | 0 | 110 | D107 R108 S210 L211 R212 | D107-V130 PolarHBondContact OD1-N 3.37Å; R108-V130 PolarHBondContact N-O 3.35Å; V130-S210 VanDerWaalsContact CG1-OG 3.28Å; V130-S210 WeakPolarHBondContact CG1-OG 3.35Å; V130-L211 CarbonylContact C-O 3.58Å; V130-L211 WeakPolarHBondContact CA-O 3.43Å; V130-R212 HydrophobicContact CG1-CG 4.13Å; V130-R212 HydrophobicContact CG2-CG 4.04Å |
| 131 | F | 92.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 133.7 | 176 | -56.2 | -69.2 | 0 | 0 | 0 | 110.3 | I105 D107 V129 L133 L147 S210 L211 L213 L233 | I105-F131 HydrophobicContact CG2-CB 3.89Å; I105-F131 HydrophobicContact CG2-CD1 4.16Å; I105-F131 HydrophobicContact CG2-CG 4.48Å; I105-F131 WeakPolarHBondContact O-CD1 3.38Å; D107-F131 HydrophobicContact CB-CE1 4.21Å; V129-F131 HydrophobicContact CB-CE2 4.32Å; V129-F131 HydrophobicContact CB-CZ 4.24Å; V129-F131 HydrophobicContact CG2-CE2 3.65Å; V129-F131 HydrophobicContact CG2-CZ 3.91Å; F131-L133 HydrophobicContact CB-CD2 4.38Å; F131-L147 HydrophobicContact CE2-CD1 3.72Å; F131-L147 HydrophobicContact CZ-CD1 3.51Å; F131-S210 WeakPolarHBondContact O-CA 3.4Å; F131-S210 PolarHBondContact O-OG 2.86Å; F131-L211 HydrophobicContact CB-CB 4.36Å; F131-L211 HydrophobicContact CD2-CD2 3.88Å; F131-L211 HydrophobicContact CD2-CG 4.49Å; F131-L211 PolarHBondContact N-O 3.38Å; F131-L211 PolarHBondContact O-N 3.13Å; F131-L213 HydrophobicContact CE2-CD1 4.15Å; F131-L233 HydrophobicContact CB-CD2 4.29Å; F131-L233 HydrophobicContact CD1-CB 3.82Å; F131-L233 HydrophobicContact CD2-CB 4.28Å; F131-L233 HydrophobicContact CD2-CD2 4.35Å; F131-L233 HydrophobicContact CE1-CB 3.93Å; F131-L233 HydrophobicContact CE2-CB 4.36Å; F131-L233 HydrophobicContact CG-CB 4Å; F131-L233 HydrophobicContact CG-CD2 4.23Å; F131-L233 HydrophobicContact CZ-CB 4.19Å |
| 132 | D | 91 | Very high | 85.1 | Confident | 20 Ų | 20 | 48.6 Ų | 48.6 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 113.8 | 175.8 | -175.9 | 2.2 | 0 | 0 | 0 | 110.1 | R108 S134 S351 N353 | R108-D132 IonicContact CZ-OD2 3.08Å; R108-D132 IonicContact NE-OD2 3.42Å; R108-D132 IonicContact NH1-OD2 2.85Å; R108-D132 PolarHBondContact NH1-OD2 2.98Å; D132-S134 WeakPolarHBondContact OD1-CB 3.46Å; D132-S134 PolarHBondContact OD1-N 2.96Å; D132-S134 PolarHBondContact OD1-OG 3.4Å; D132-S351 VanDerWaalsContact CG-OG 3.31Å; D132-S351 VanDerWaalsContact OD2-CB 3.31Å; D132-S351 WeakPolarHBondContact OD2-CB 3.05Å; D132-S351 PolarHBondContact OD2-OG 2.93Å; D132-N353 PolarHBondContact O-ND2 3.09Å |
| 133 | L | 90.8 | Very high | 86.7 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | trans | -110.2 | 14.3 | -178 | -51.6 | -177.1 | 0 | 0 | 0 | 111.4 | I105 F131 A135 V136 W201 W207 P208 R209 L211 L233 | I105-L133 HydrophobicContact CD1-CD2 3.33Å; I105-L133 HydrophobicContact CG2-CD2 4.45Å; F131-L133 HydrophobicContact CB-CD2 4.38Å; L133-A135 PolarHBondContact O-N 3.02Å; L133-A135 VanDerWaalsContact O-N 3.08Å; L133-V136 HydrophobicContact CB-CG2 4.13Å; L133-V136 WeakPolarHBondContact O-CB 3.42Å; L133-V136 PolarHBondContact O-N 3.08Å; L133-W201 HydrophobicContact CD1-CH2 3.86Å; L133-W201 HydrophobicContact CD1-CZ2 3.48Å; L133-W201 VanDerWaalsContact CD1-CZ2 3.48Å; L133-W207 HydrophobicContact CD1-CE3 3.99Å; L133-W207 HydrophobicContact CD1-CZ3 4.33Å; L133-P208 WeakPolarHBondContact CB-O 3.32Å; L133-P208 HydrophobicContact CD1-CG 4.28Å; L133-R209 CarbonylContact C-O 3.57Å; L133-R209 PolarHBondContact N-O 2.97Å; L133-L211 HydrophobicContact CD1-CB 4Å; L133-L233 HydrophobicContact CD2-CD2 4.05Å | ||
| 134 | S | 88.1 | Confident | 87.6 | Confident | 72 Ų | 72 | 41.5 Ų | 41.5 | 50% | 0.503 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.9 | -177 | -56.5 | 0 | 0 | 0 | 0 | 113.5 | D132 R209 | D132-S134 WeakPolarHBondContact OD1-CB 3.46Å; D132-S134 PolarHBondContact OD1-N 2.96Å; D132-S134 PolarHBondContact OD1-OG 3.4Å; S134-R209 PolarHBondContact N-O 2.86Å; S134-R209 PolarHBondContact OG-O 3.41Å |
| 135 | A | 85.8 | Confident | 88.2 | Confident | 35 Ų | 35 | 40.3 Ų | 40.3 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 1.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | R103 L133 D349 | R103-A135 PolarHBondContact NH2-O 2.82Å; R103-A135 VanDerWaalsContact NH2-O 3.08Å; L133-A135 PolarHBondContact O-N 3.02Å; L133-A135 VanDerWaalsContact O-N 3.08Å; A135-D349 HydrophobicContact CB-CB 4.24Å; A135-D349 WeakPolarHBondContact CB-OD2 3.44Å |
| 136 | V | 88.6 | Confident | 88.9 | Confident | 14 Ų | 14 | 40.3 Ų | 40.3 | 9% | 0.085 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -89.7 | 120.6 | 174.6 | -170.4 | 0 | 0 | 0 | 0 | 108.7 | L133 E140 W207 L235 T237 | L133-V136 HydrophobicContact CB-CG2 4.13Å; L133-V136 WeakPolarHBondContact O-CB 3.42Å; L133-V136 PolarHBondContact O-N 3.08Å; V136-E140 HydrophobicContact CG1-CB 4.19Å; V136-W207 HydrophobicContact CB-CB 4.47Å; V136-W207 HydrophobicContact CB-CD2 4.45Å; V136-W207 HydrophobicContact CB-CG 4.18Å; V136-W207 HydrophobicContact CG1-CB 4.4Å; V136-W207 VanDerWaalsContact CG1-CD1 3.44Å; V136-W207 HydrophobicContact CG1-CD2 3.77Å; V136-W207 HydrophobicContact CG1-CG 3.63Å; V136-W207 HydrophobicContact CG1-CZ2 4.39Å; V136-L235 HydrophobicContact CG2-CD2 3.82Å; V136-T237 HydrophobicContact CG1-CG2 4.39Å |
| 137 | E | 86.1 | Confident | 89.3 | Confident | 39 Ų | 39 | 35.8 Ų | 35.8 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | trans | -76.7 | 153.3 | -179 | -56.7 | -160.8 | 157.6 | 0 | 0 | 112.2 | A139 E140 R241 | E137-A139 PolarHBondContact O-N 3.39Å; E137-E140 HydrophobicContact CB-CG 4.11Å; E137-E140 PolarHBondContact N-OE1 2.85Å; E137-E140 WeakPolarHBondContact O-CB 3.49Å; E137-E140 PolarHBondContact O-N 2.92Å; E137-E140 VanDerWaalsContact O-N 3.1Å; E137-R241 IonicContact OE2-CZ 3.69Å; E137-R241 IonicContact OE2-NH1 3.08Å; E137-R241 IonicContact OE2-NH2 3.83Å; E137-R241 PolarHBondContact OE2-NH2 2.91Å | ||
| 138 | S | 83.2 | Confident | 89.6 | Confident | 116 Ų | 116 | 36 Ų | 36 | 81% | 0.811 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.6 | 178.4 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | E140 | S138-E140 VanDerWaalsContact C-N 3.31Š|
| 139 | A | 85.1 | Confident | 89.9 | Confident | 34 Ų | 34 | 32.8 Ų | 32.8 | 28% | 0.281 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -17.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | E137 | E137-A139 PolarHBondContact O-N 3.39Š|
| 140 | E | 88 | Confident | 89.9 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -77.6 | 125.8 | -176.1 | -67.9 | -177.2 | -125.3 | 0 | 0 | 111.8 | I101 R103 V136 E137 S138 W207 T237 D239 | I101-E140 HydrophobicContact CD1-CG 4.26Å; I101-E140 WeakPolarHBondContact CD1-OE2 3.32Å; R103-E140 IonicContact CZ-OE1 3.13Å; R103-E140 IonicContact CZ-OE2 3.83Å; R103-E140 IonicContact NH1-OE1 3.76Å; R103-E140 IonicContact NH1-OE2 2.77Å; R103-E140 PolarHBondContact NH1-OE2 3.27Å; R103-E140 VanDerWaalsContact NH2-CD 3.31Å; R103-E140 IonicContact NH2-OE1 3.36Å; R103-E140 PolarHBondContact NH2-OE1 3.35Å; R103-E140 IonicContact NH2-OE2 2.7Å; R103-E140 PolarHBondContact NH2-OE2 3.09Å; R103-E140 VanDerWaalsContact NH2-OE2 3.08Å; V136-E140 HydrophobicContact CG1-CB 4.19Å; E137-E140 HydrophobicContact CB-CG 4.11Å; E137-E140 PolarHBondContact N-OE1 2.85Å; E137-E140 WeakPolarHBondContact O-CB 3.49Å; E137-E140 PolarHBondContact O-N 2.92Å; E137-E140 VanDerWaalsContact O-N 3.1Å; S138-E140 VanDerWaalsContact C-N 3.31Å; E140-W207 PolarHBondContact O-NE1 2.87Å; E140-T237 HydrophobicContact CB-CG2 4.38Å; E140-T237 WeakPolarHBondContact OE2-CB 3.43Å; E140-T237 PolarHBondContact OE2-OG1 3.19Å; E140-D239 HydrophobicContact CG-CB 4.26Å |
| 141 | R | 87.7 | Confident | 89.7 | Confident | 160 Ų | 160 | 38 Ų | 38 | 60% | 0.604 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 131.9 | 177.7 | -61.3 | -178.1 | -179.1 | -173.6 | -0.6 | 110.4 | T237 L238 | R141-T237 CarbonylContact O-C 3.5Å; R141-T237 VanDerWaalsContact O-CA 3.26Å; R141-T237 WeakPolarHBondContact O-CA 3.48Å; R141-L238 PolarHBondContact N-O 3.27Å; R141-L238 PolarHBondContact O-N 3.48Å |
| 142 | P | 88.1 | Confident | 89.2 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 10% | 0.104 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 133.5 | 174.9 | 22.7 | -28.5 | 0 | 0 | 0 | 111.6 | L197 W207 | P142-L197 HydrophobicContact CB-CD1 3.58Å; P142-L197 HydrophobicContact CG-CD1 3.93Å; P142-W207 HydrophobicContact CB-CH2 3.68Å; P142-W207 HydrophobicContact CB-CZ2 3.45Å; P142-W207 VanDerWaalsContact CB-CZ2 3.45Å; P142-W207 HydrophobicContact CG-CH2 4.37Å; P142-W207 HydrophobicContact CG-CZ2 3.94Å |
| 143 | S | 89.5 | Confident | 87.8 | Confident | 29 Ų | 29 | 44 Ų | 44 | 20% | 0.203 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | -26.4 | 171.5 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | A98 L197 V236 | A98-S143 WeakPolarHBondContact O-CB 3.39Å; A98-S143 PolarHBondContact O-OG 3.14Å; S143-L197 WeakPolarHBondContact O-CD2 3.21Å; S143-V236 PolarHBondContact N-O 2.88Å |
| 144 | R | 91.4 | Very high | 86.5 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 16% | 0.158 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 142.7 | 167.6 | 178.2 | 162.8 | -75.2 | 149.6 | 4.5 | 111.4 | L95 V97 R146 E195 L235 V236 | L95-R144 PolarHBondContact O-NH1 3.5Å; L95-R144 PolarHBondContact O-NH2 3.25Å; V97-R144 HydrophobicContact CG1-CB 4.37Å; V97-R144 VanDerWaalsContact CG1-CZ 3.45Å; V97-R144 VanDerWaalsContact CG1-NH2 3.33Å; V97-R144 HydrophobicContact CG2-CB 4.39Å; R144-R146 HydrophobicContact CG-CB 4.25Å; R144-E195 WeakPolarHBondContact CG-OE2 2.92Å; R144-E195 IonicContact NE-OE1 2.98Å; R144-E195 IonicContact NE-OE2 3.28Å; R144-L235 WeakPolarHBondContact O-CA 3.41Å; R144-L235 VanDerWaalsContact O-CD1 3.26Å; R144-L235 WeakPolarHBondContact O-CD1 3.41Å; R144-V236 HydrophobicContact CB-CB 3.97Å; R144-V236 HydrophobicContact CB-CG2 4Å; R144-V236 PolarHBondContact N-O 3.48Å; R144-V236 VanDerWaalsContact N-O 3.08Å; R144-V236 PolarHBondContact O-N 3.08Å |
| 145 | A | 93.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 101.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | L196 L197 W201 L233 L235 | A145-L196 HydrophobicContact CB-CB 4.35Å; A145-L196 PolarHBondContact O-N 3.02Å; A145-L197 HydrophobicContact CB-CB 4.4Å; A145-W201 HydrophobicContact CB-CE3 4.01Å; A145-W201 HydrophobicContact CB-CZ3 3.84Å; A145-L233 HydrophobicContact CB-CD1 4.49Å; A145-L235 HydrophobicContact CB-CD1 3.91Å |
| 146 | R | 94 | Very high | 84.8 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 116.9 | -175.8 | 175.6 | -178.3 | -68.2 | 175.1 | 0.9 | 110.1 | R144 E148 R193 A194 E195 L234 | R144-R146 HydrophobicContact CG-CB 4.25Å; R146-E148 HydrophobicContact CG-CG 4.19Å; R146-R193 HydrophobicContact CG-CB 4.27Å; R146-R193 HydrophobicContact CG-CG 4.45Å; R146-A194 CarbonylContact C-O 3.42Å; R146-A194 WeakPolarHBondContact CA-O 3.35Å; R146-E195 IonicContact CZ-OE1 3.16Å; R146-E195 IonicContact NE-OE1 3.12Å; R146-E195 PolarHBondContact NE-OE1 2.81Å; R146-E195 IonicContact NH2-OE1 2.67Å; R146-E195 PolarHBondContact NH2-OE1 3.38Å; R146-L234 HydrophobicContact CB-CB 4.4Å; R146-L234 PolarHBondContact N-O 2.77Å; R146-L234 PolarHBondContact O-N 3.48Å |
| 147 | L | 94.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 126.9 | 169.7 | -176.4 | 66.3 | 0 | 0 | 0 | 109.1 | F131 L149 V165 R193 A194 L196 L213 L215 | F131-L147 HydrophobicContact CE2-CD1 3.72Å; F131-L147 HydrophobicContact CZ-CD1 3.51Å; L147-L149 HydrophobicContact CD1-CD2 3.92Å; L147-L149 HydrophobicContact CD2-CD1 4.01Å; L147-L149 HydrophobicContact CD2-CD2 4.06Å; L147-L149 HydrophobicContact CD2-CG 4.12Å; L147-L149 HydrophobicContact CG-CD1 4.39Å; L147-L149 HydrophobicContact CG-CD2 3.83Å; L147-L149 HydrophobicContact CG-CG 3.95Å; L147-V165 HydrophobicContact CD2-CG2 4.27Å; L147-R193 VanDerWaalsContact O-CA 3.32Å; L147-R193 WeakPolarHBondContact O-CA 3.06Å; L147-A194 HydrophobicContact CB-CB 4.25Å; L147-A194 PolarHBondContact N-O 2.87Å; L147-A194 PolarHBondContact O-N 2.82Å; L147-L196 HydrophobicContact CB-CD1 3.99Å; L147-L196 HydrophobicContact CB-CG 4.18Å; L147-L213 HydrophobicContact CD2-CD1 4.34Å; L147-L215 HydrophobicContact CD2-CD2 3.84Å |
| 148 | E | 94.5 | Very high | 83.9 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 12% | 0.121 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.3 | 174.3 | -56.5 | -157.3 | 134.3 | 0 | 0 | 109.3 | R146 V192 R193 A231 S232 | R146-E148 HydrophobicContact CG-CG 4.19Å; E148-V192 WeakPolarHBondContact CA-O 3.42Å; E148-R193 HydrophobicContact CG-CG 4.28Å; E148-R193 IonicContact OE1-NE 3.91Å; E148-R193 PolarHBondContact OE1-NE 3Å; E148-R193 VanDerWaalsContact OE1-NE 3.12Å; E148-A231 WeakPolarHBondContact O-CA 3.48Å; E148-S232 PolarHBondContact N-O 3.17Å; E148-S232 PolarHBondContact O-N 2.74Å |
| 149 | L | 93.1 | Very high | 83.7 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.7 | -177.3 | -54.9 | 174.6 | 0 | 0 | 0 | 110 | L147 F151 L163 P191 V192 L215 L228 A231 | L147-L149 HydrophobicContact CD1-CD2 3.92Å; L147-L149 HydrophobicContact CD2-CD1 4.01Å; L147-L149 HydrophobicContact CD2-CD2 4.06Å; L147-L149 HydrophobicContact CD2-CG 4.12Å; L147-L149 HydrophobicContact CG-CD1 4.39Å; L147-L149 HydrophobicContact CG-CD2 3.83Å; L147-L149 HydrophobicContact CG-CG 3.95Å; L149-F151 HydrophobicContact CB-CD2 4.42Å; L149-F151 HydrophobicContact CB-CE2 3.63Å; L149-F151 HydrophobicContact CB-CZ 4.02Å; L149-F151 HydrophobicContact CD1-CE2 4.23Å; L149-F151 HydrophobicContact CD1-CZ 4.01Å; L149-L163 HydrophobicContact CD1-CD1 3.97Å; L149-L163 HydrophobicContact CD1-CD2 3.94Å; L149-P191 CarbonylContact O-C 3.48Å; L149-P191 VanDerWaalsContact O-CA 3.31Å; L149-P191 WeakPolarHBondContact O-CA 3.49Å; L149-V192 HydrophobicContact CB-CB 4.34Å; L149-V192 PolarHBondContact N-O 2.65Å; L149-V192 PolarHBondContact O-N 2.82Å; L149-L215 HydrophobicContact CD1-CD1 4.05Å; L149-L215 HydrophobicContact CD2-CD1 3.64Å; L149-L228 HydrophobicContact CB-CD1 4.02Å; L149-L228 HydrophobicContact CD2-CD1 4.08Å; L149-A231 HydrophobicContact CD2-CB 3.61Å |
| 150 | R | 90.8 | Very high | 83.9 | Confident | 126 Ų | 126 | 50.9 Ų | 50.9 | 48% | 0.475 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.6 | 171.4 | -67.3 | -179.5 | 174.1 | -86.8 | 0.5 | 109.2 | P191 A229 E230 | R150-P191 HydrophobicContact CG-CB 4.02Å; R150-A229 WeakPolarHBondContact O-CA 3.46Å; R150-A229 WeakPolarHBondContact O-CB 3.38Å; R150-A229 PolarHBondContact O-N 3.43Å; R150-E230 HydrophobicContact CB-CB 4.17Å; R150-E230 WeakPolarHBondContact CD-OE2 3.49Å; R150-E230 PolarHBondContact N-O 2.96Å; R150-E230 IonicContact NE-OE2 3.66Å; R150-E230 PolarHBondContact O-N 3.11Å |
| 151 | F | 87.8 | Confident | 83.9 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 7% | 0.07 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 142.1 | 177.2 | -62.7 | -88.1 | 0 | 0 | 0 | 109.7 | W127 L149 L188 V192 L217 A226 R227 L228 | W127-F151 HydrophobicContact CH2-CE1 4.09Å; W127-F151 AromaticContact CZ3-CE1 3.92Å; W127-F151 HydrophobicContact CZ3-CE1 3.92Å; L149-F151 HydrophobicContact CB-CD2 4.42Å; L149-F151 HydrophobicContact CB-CE2 3.63Å; L149-F151 HydrophobicContact CB-CZ 4.02Å; L149-F151 HydrophobicContact CD1-CE2 4.23Å; L149-F151 HydrophobicContact CD1-CZ 4.01Å; F151-L188 HydrophobicContact CB-CB 4.28Å; F151-L188 HydrophobicContact CB-CD1 4.05Å; F151-L188 HydrophobicContact CB-CD2 4.45Å; F151-L188 HydrophobicContact CD2-CD2 3.81Å; F151-L188 HydrophobicContact CE2-CD2 4.38Å; F151-L188 HydrophobicContact CG-CD1 4.4Å; F151-L188 HydrophobicContact CG-CD2 4.26Å; F151-V192 HydrophobicContact CD2-CG2 3.92Å; F151-V192 HydrophobicContact CE2-CB 4.18Å; F151-V192 HydrophobicContact CE2-CG2 3.84Å; F151-L217 HydrophobicContact CD1-CD2 3.96Å; F151-L217 HydrophobicContact CD2-CD2 4.43Å; F151-L217 HydrophobicContact CE1-CB 4.25Å; F151-L217 HydrophobicContact CE1-CD2 3.81Å; F151-L217 HydrophobicContact CE2-CD2 4.28Å; F151-L217 HydrophobicContact CG-CD2 4.27Å; F151-L217 HydrophobicContact CZ-CB 4.41Å; F151-L217 HydrophobicContact CZ-CD1 4.45Å; F151-L217 HydrophobicContact CZ-CD2 3.98Å; F151-A226 HydrophobicContact CB-CB 4.25Å; F151-A226 HydrophobicContact CD1-CB 4.15Å; F151-A226 HydrophobicContact CG-CB 4.48Å; F151-R227 CarbonylContact C-O 3.53Å; F151-R227 VanDerWaalsContact CA-O 3.31Å; F151-R227 WeakPolarHBondContact CA-O 3.43Å; F151-L228 HydrophobicContact CD1-CB 4.25Å; F151-L228 HydrophobicContact CD1-CD1 4.09Å; F151-L228 HydrophobicContact CE1-CB 4.11Å; F151-L228 HydrophobicContact CE1-CD1 3.69Å; F151-L228 HydrophobicContact CE2-CD1 4.45Å; F151-L228 HydrophobicContact CZ-CD1 3.9Å |
| 152 | A | 81.5 | Confident | 84.1 | Confident | 35 Ų | 35 | 46.6 Ų | 46.6 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 132.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | A154 R227 | A152-A154 PolarHBondContact O-N 3.49Å; A152-R227 HydrophobicContact CB-CB 4.37Å; A152-R227 PolarHBondContact N-O 2.9Å |
| 153 | A | 62.1 | Low | 84.4 | Confident | 110 Ų | 110 | 45.9 Ų | 45.9 | 91% | 0.909 | 27% | 0.273 | S | S | * | . | trans | -23.2 | 106.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 154 | A | 63 | Low | 84.5 | Confident | 28 Ų | 28 | 45.6 Ų | 45.6 | 23% | 0.231 | 27% | 0.271 | C | S | . | . | trans | -119.2 | 140.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109 | A152 A156 W161 L188 A226 | A152-A154 PolarHBondContact O-N 3.49Å; A154-A156 PolarHBondContact O-N 3.41Å; A154-W161 HydrophobicContact CB-CH2 4.03Å; A154-W161 HydrophobicContact CB-CZ2 3.6Å; A154-L188 HydrophobicContact CB-CD1 4.12Å; A154-A226 HydrophobicContact CB-CB 3.85Å | ||
| 155 | V | 69.4 | Low | 84.5 | Confident | 134 Ų | 134 | 43.6 Ų | 43.6 | 81% | 0.812 | 26% | 0.263 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 128.6 | 172.4 | 178.8 | 0 | 0 | 0 | 0 | 107.7 | P157 | V155-P157 VanDerWaalsContact O-CD 3.32Å; V155-P157 WeakPolarHBondContact O-CD 3.48Å |
| 156 | A | 69.9 | Low | 84.3 | Confident | 58 Ų | 58 | 44 Ų | 44 | 48% | 0.479 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 119.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | A154 | A154-A156 PolarHBondContact O-N 3.41Š|
| 157 | P | 77.6 | Confident | 84 | Confident | 13 Ų | 13 | 47 Ų | 47 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 153.9 | 175.4 | 29.2 | -33.9 | 0 | 0 | 0 | 109.9 | V155 G159 G160 W161 P219 T221 A223 | V155-P157 VanDerWaalsContact O-CD 3.32Å; V155-P157 WeakPolarHBondContact O-CD 3.48Å; P157-G159 PolarHBondContact O-N 2.87Å; P157-G160 WeakPolarHBondContact CG-O 3.35Å; P157-G160 PolarHBondContact O-N 2.93Å; P157-W161 HydrophobicContact CG-CD2 4.18Å; P157-W161 HydrophobicContact CG-CG 4.4Å; P157-W161 HydrophobicContact CG-CZ2 4.34Å; P157-P219 HydrophobicContact CB-CB 4.13Å; P157-P219 HydrophobicContact CG-CB 3.8Å; P157-T221 WeakPolarHBondContact CB-OG1 3.17Å; P157-A223 HydrophobicContact CB-CB 3.8Å |
| 158 | E | 76.6 | Confident | 83.3 | Confident | 169 Ų | 169 | 47.8 Ų | 47.8 | 79% | 0.79 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 123.7 | 170.2 | -67.4 | -164.1 | 160.8 | 0 | 0 | 109 | T221 | E158-T221 HydrophobicContact CB-CG2 4.42Å; E158-T221 PolarHBondContact N-OG1 2.82Å; E158-T221 WeakPolarHBondContact O-CG2 3.43Å; E158-T221 PolarHBondContact O-OG1 3.18Å |
| 159 | G | 80.3 | Confident | 82 | Confident | 50 Ų | 50 | 48 Ų | 48 | 52% | 0.515 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -2.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | P157 R220 | P157-G159 PolarHBondContact O-N 2.87Å; G159-R220 WeakPolarHBondContact O-CD 2.94Å |
| 160 | G | 87.8 | Confident | 80.4 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | trans | 75.5 | -166.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P157 R220 | P157-G160 WeakPolarHBondContact CG-O 3.35Å; P157-G160 PolarHBondContact O-N 2.93Å; G160-R220 PolarHBondContact O-N 3Å; G160-R220 VanDerWaalsContact O-N 3.09Å | ||
| 161 | W | 89.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 149 | -176.2 | -57.4 | 86 | 0 | 0 | 0 | 111.3 | A154 P157 L184 V185 L188 L217 P219 A224 A226 | A154-W161 HydrophobicContact CB-CH2 4.03Å; A154-W161 HydrophobicContact CB-CZ2 3.6Å; P157-W161 HydrophobicContact CG-CD2 4.18Å; P157-W161 HydrophobicContact CG-CG 4.4Å; P157-W161 HydrophobicContact CG-CZ2 4.34Å; W161-L184 CarbonylContact O-C 3.59Å; W161-V185 HydrophobicContact CB-CB 4.14Å; W161-V185 PolarHBondContact N-O 3.17Å; W161-V185 PolarHBondContact O-N 3.02Å; W161-L188 HydrophobicContact CD2-CD1 4.11Å; W161-L188 HydrophobicContact CG-CD1 4.35Å; W161-L188 HydrophobicContact CG-CD2 4.39Å; W161-L188 HydrophobicContact CG-CG 4.42Å; W161-L188 HydrophobicContact CZ2-CD1 3.9Å; W161-L217 HydrophobicContact CB-CD1 3.8Å; W161-L217 HydrophobicContact CB-CD2 4.34Å; W161-L217 HydrophobicContact CB-CG 4.03Å; W161-L217 HydrophobicContact CD2-CD2 3.97Å; W161-L217 HydrophobicContact CD2-CG 4.24Å; W161-L217 HydrophobicContact CE3-CD2 3.76Å; W161-L217 HydrophobicContact CE3-CG 3.8Å; W161-L217 HydrophobicContact CG-CD2 4.24Å; W161-L217 HydrophobicContact CG-CG 4.38Å; W161-L217 HydrophobicContact CZ3-CD2 4.3Å; W161-P219 HydrophobicContact CD2-CB 4.49Å; W161-P219 HydrophobicContact CE3-CB 3.86Å; W161-P219 HydrophobicContact CH2-CB 4.35Å; W161-P219 HydrophobicContact CZ3-CB 3.81Å; W161-P219 HydrophobicContact CZ3-CG 4.15Å; W161-A224 WeakPolarHBondContact CH2-O 3.35Å; W161-A226 HydrophobicContact CH2-CB 3.95Å; W161-A226 HydrophobicContact CZ2-CB 4.35Å; W161-A226 HydrophobicContact CZ3-CB 4.27Å |
| 162 | E | 92.1 | Very high | 76.3 | Confident | 78 Ų | 78 | 61.8 Ų | 61.8 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.1 | 168.3 | -172.5 | 175.4 | -126.2 | 0 | 0 | 109.3 | L217 R218 | E162-L217 WeakPolarHBondContact O-CA 3.31Å; E162-R218 PolarHBondContact N-O 2.85Å; E162-R218 PolarHBondContact O-N 3.16Å |
| 163 | L | 92.7 | Very high | 74.8 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 124.9 | 171.4 | 175.3 | 66.9 | 0 | 0 | 0 | 108.8 | L149 V165 R182 Q183 V185 V192 A194 L217 | L149-L163 HydrophobicContact CD1-CD1 3.97Å; L149-L163 HydrophobicContact CD1-CD2 3.94Å; L163-V165 HydrophobicContact CD1-CG2 4.49Å; L163-V165 HydrophobicContact CD2-CG2 4.24Å; L163-V165 HydrophobicContact CG-CG2 4.15Å; L163-R182 CarbonylContact O-C 3.56Å; L163-R182 VanDerWaalsContact O-CA 3.3Å; L163-R182 WeakPolarHBondContact O-CA 3.31Å; L163-Q183 PolarHBondContact N-O 2.83Å; L163-Q183 PolarHBondContact O-N 2.86Å; L163-V185 HydrophobicContact CB-CG2 3.93Å; L163-V192 HydrophobicContact CD2-CG1 4.03Å; L163-A194 HydrophobicContact CD2-CB 4.38Å; L163-L217 HydrophobicContact CB-CD1 3.81Å; L163-L217 HydrophobicContact CD1-CD1 4.2Å |
| 164 | S | 92.2 | Very high | 74.6 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 16% | 0.161 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.1 | 166.6 | 63.1 | 0 | 0 | 0 | 0 | 110.6 | L181 A216 | S164-L181 WeakPolarHBondContact CA-O 3.42Å; S164-A216 PolarHBondContact N-O 3.22Å; S164-A216 PolarHBondContact O-N 3.07Å; S164-A216 WeakPolarHBondContact OG-CB 3.36Å; S164-A216 PolarHBondContact OG-O 2.93Å |
| 165 | V | 92.2 | Very high | 74.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.8 | 174.6 | -175.8 | 0 | 0 | 0 | 0 | 108 | L147 L163 L180 L181 L196 L213 L215 | L147-V165 HydrophobicContact CD2-CG2 4.27Å; L163-V165 HydrophobicContact CD1-CG2 4.49Å; L163-V165 HydrophobicContact CD2-CG2 4.24Å; L163-V165 HydrophobicContact CG-CG2 4.15Å; V165-L180 PolarHBondContact O-N 2.79Å; V165-L181 HydrophobicContact CB-CB 4.26Å; V165-L181 PolarHBondContact N-O 3.28Å; V165-L181 PolarHBondContact O-N 2.81Å; V165-L196 HydrophobicContact CG1-CD2 4.17Å; V165-L213 HydrophobicContact CG1-CB 4.37Å; V165-L213 HydrophobicContact CG1-CD1 4.04Å; V165-L213 HydrophobicContact CG1-CD2 4.29Å; V165-L213 HydrophobicContact CG1-CG 4.48Å; V165-L215 HydrophobicContact CB-CD2 4.29Å; V165-L215 HydrophobicContact CG1-CD2 3.91Å; V165-L215 HydrophobicContact CG2-CD2 3.89Å |
| 166 | S | 89.6 | Confident | 74.2 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 6% | 0.056 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 158.6 | 176 | 55 | 0 | 0 | 0 | 0 | 111 | A168 L213 A214 | S166-A168 PolarHBondContact O-N 2.84Å; S166-L213 WeakPolarHBondContact O-CA 3.13Å; S166-A214 PolarHBondContact N-O 2.74Å; S166-A214 PolarHBondContact O-N 3.08Å; S166-A214 WeakPolarHBondContact OG-CB 3.35Å; S166-A214 PolarHBondContact OG-O 2.69Å |
| 167 | Q | 86.5 | Confident | 74.3 | Confident | 106 Ų | 106 | 58.8 Ų | 58.8 | 50% | 0.495 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 127.7 | 171.8 | -165.8 | 173.5 | 16.2 | 0 | 0 | 109 | G177 P178 L180 | Q167-G177 VanDerWaalsContact O-CA 3.3Å; Q167-G177 WeakPolarHBondContact O-CA 3.23Å; Q167-G177 PolarHBondContact O-N 3.39Å; Q167-P178 PolarHBondContact N-O 2.78Å; Q167-L180 HydrophobicContact CB-CD1 4.2Å |
| 168 | A | 80.1 | Confident | 74.5 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 131.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | T128 S166 R212 A214 | T128-A168 HydrophobicContact CG2-CB 4.29Å; S166-A168 PolarHBondContact O-N 2.84Å; A168-R212 HydrophobicContact CB-CB 3.92Å; A168-R212 PolarHBondContact N-O 2.9Å; A168-A214 HydrophobicContact CB-CB 4.33Å |
| 169 | G | 67.9 | Low | 74.9 | Confident | 31 Ų | 31 | 57.9 Ų | 57.9 | 32% | 0.32 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 148.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G171 | G169-G171 PolarHBondContact O-N 2.88Š|
| 170 | Q | 58.8 | Low | 75.3 | Confident | 174 Ų | 174 | 57.2 Ų | 57.2 | 81% | 0.813 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -84.7 | 88.8 | 172.7 | -75.7 | 178.5 | 9.7 | 0 | 0 | 109.7 | ||
| 171 | G | 55.1 | Low | 75.4 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 166.1 | 150.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G169 G173 A174 | G169-G171 PolarHBondContact O-N 2.88Å; G171-G173 PolarHBondContact O-N 3.17Å; G171-G173 VanDerWaalsContact O-N 3.14Å; G171-A174 PolarHBondContact O-N 3.28Å |
| 172 | M | 37.9 | Very low | 75.6 | Confident | 210 Ų | 210 | 66.3 Ų | 66.3 | 100% | 1.034 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 108.4 | 172 | -155 | 89.1 | 176 | 0 | 0 | 108 | ||
| 173 | G | 49.9 | Very low | 75.6 | Confident | 86 Ų | 86 | 65.6 Ų | 65.6 | 89% | 0.887 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.5 | 5.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116 | G171 G175 | G171-G173 PolarHBondContact O-N 3.17Å; G171-G173 VanDerWaalsContact O-N 3.14Å; G173-G175 PolarHBondContact O-N 2.77Å |
| 174 | A | 57.2 | Low | 75.6 | Confident | 52 Ų | 52 | 70.1 Ų | 70.1 | 43% | 0.43 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 118.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G171 | G171-A174 PolarHBondContact O-N 3.28Š|
| 175 | G | 59.7 | Low | 75.6 | Confident | 52 Ų | 52 | 69.3 Ų | 69.3 | 54% | 0.536 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 169.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | G173 G177 | G173-G175 PolarHBondContact O-N 2.77Å; G175-G177 PolarHBondContact O-N 2.89Å |
| 176 | P | 65.3 | Low | 75.3 | Confident | 84 Ų | 84 | 73.9 Ų | 73.9 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 127.5 | 175.8 | 23 | -30.8 | 0 | 0 | 0 | 109.6 | ||
| 177 | G | 72.6 | Confident | 75.1 | Confident | 27 Ų | 27 | 76 Ų | 76 | 28% | 0.278 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | -170.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q167 G175 V179 | Q167-G177 VanDerWaalsContact O-CA 3.3Å; Q167-G177 WeakPolarHBondContact O-CA 3.23Å; Q167-G177 PolarHBondContact O-N 3.39Å; G175-G177 PolarHBondContact O-N 2.89Å; G177-V179 PolarHBondContact O-N 2.99Å |
| 178 | P | 80.1 | Confident | 74.9 | Confident | 93 Ų | 93 | 71.7 Ų | 71.7 | 60% | 0.604 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 140 | 178.9 | 24.8 | -33.4 | 0 | 0 | 0 | 111 | Q167 L180 | Q167-P178 PolarHBondContact N-O 2.78Å; P178-L180 PolarHBondContact O-N 2.71Å |
| 179 | V | 85.7 | Confident | 74.9 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 42% | 0.424 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 119 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | G177 L181 R182 | G177-V179 PolarHBondContact O-N 2.99Å; V179-L181 WeakPolarHBondContact CG1-O 3.47Å; V179-R182 HydrophobicContact CG1-CG 3.73Å |
| 180 | L | 87.6 | Confident | 75.6 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 19% | 0.188 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -36.2 | -178.7 | -57.4 | 175.7 | 0 | 0 | 0 | 111.4 | V165 Q167 P178 T199 A200 L213 | V165-L180 PolarHBondContact O-N 2.79Å; Q167-L180 HydrophobicContact CB-CD1 4.2Å; P178-L180 PolarHBondContact O-N 2.71Å; L180-T199 WeakPolarHBondContact O-CB 3.28Å; L180-A200 HydrophobicContact CD1-CB 3.84Å; L180-L213 HydrophobicContact CD1-CD2 4.09Å |
| 181 | L | 91.1 | Very high | 77 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 18% | 0.183 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 138.2 | -176.3 | 179.4 | 69.4 | 0 | 0 | 0 | 110.6 | S164 V165 V179 A194 | S164-L181 WeakPolarHBondContact CA-O 3.42Å; V165-L181 HydrophobicContact CB-CB 4.26Å; V165-L181 PolarHBondContact N-O 3.28Å; V165-L181 PolarHBondContact O-N 2.81Å; V179-L181 WeakPolarHBondContact CG1-O 3.47Å; L181-A194 HydrophobicContact CD2-CB 3.52Å |
| 182 | R | 93.1 | Very high | 78.8 | Confident | 162 Ų | 162 | 67.9 Ų | 67.9 | 61% | 0.611 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.5 | 161.6 | -66.3 | -170.6 | 179.8 | -175.1 | 1.3 | 109.2 | L163 V179 | L163-R182 CarbonylContact O-C 3.56Å; L163-R182 VanDerWaalsContact O-CA 3.3Å; L163-R182 WeakPolarHBondContact O-CA 3.31Å; V179-R182 HydrophobicContact CG1-CG 3.73Å |
| 183 | Q | 93.4 | Very high | 81.4 | Confident | 62 Ų | 62 | 64.1 Ų | 64.1 | 29% | 0.29 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 132.5 | -176.3 | -179.3 | 174.9 | -24.5 | 0 | 0 | 110.8 | L163 R193 | L163-Q183 PolarHBondContact N-O 2.83Å; L163-Q183 PolarHBondContact O-N 2.86Å; Q183-R193 PolarHBondContact NE2-O 3.01Å; Q183-R193 PolarHBondContact OE1-O 3.37Å |
| 184 | L | 92.1 | Very high | 83.5 | Confident | 96 Ų | 96 | 60.1 Ų | 60.1 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 132.5 | 170.5 | -171.7 | 69.9 | 0 | 0 | 0 | 109.8 | W161 | W161-L184 CarbonylContact O-C 3.59Å |
| 185 | V | 90.8 | Very high | 85.1 | Confident | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.036 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 98.7 | -179.4 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | W161 L163 A187 L188 V192 | W161-V185 HydrophobicContact CB-CB 4.14Å; W161-V185 PolarHBondContact N-O 3.17Å; W161-V185 PolarHBondContact O-N 3.02Å; L163-V185 HydrophobicContact CB-CG2 3.93Å; V185-A187 VanDerWaalsContact C-N 3.32Å; V185-A187 WeakPolarHBondContact CG1-O 3.48Å; V185-A187 PolarHBondContact O-N 3.44Å; V185-L188 HydrophobicContact CG1-CD2 3.64Å; V185-V192 HydrophobicContact CG1-CB 4.49Å; V185-V192 HydrophobicContact CG1-CG1 4.08Å; V185-V192 HydrophobicContact CG1-CG2 3.59Å; V185-V192 HydrophobicContact CG2-CG1 3.6Å |
| 186 | P | 87.2 | Confident | 86.5 | Confident | 97 Ų | 97 | 58.6 Ų | 58.6 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -64.9 | -34.3 | -175.8 | -23.9 | 34.3 | 0 | 0 | 0 | 113.5 | ||
| 187 | A | 84.8 | Confident | 87.4 | Confident | 51 Ų | 51 | 56.8 Ų | 56.8 | 42% | 0.421 | 33% | 0.326 | S | S | . | . | trans | -149.5 | 151.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V185 | V185-A187 VanDerWaalsContact C-N 3.32Å; V185-A187 WeakPolarHBondContact CG1-O 3.48Å; V185-A187 PolarHBondContact O-N 3.44Å | ||
| 188 | L | 83.2 | Confident | 87.6 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 9% | 0.089 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -105.2 | 8.2 | -176.3 | -59.6 | -180 | 0 | 0 | 0 | 114.5 | F151 A154 W161 V185 V192 L217 A226 | F151-L188 HydrophobicContact CB-CB 4.28Å; F151-L188 HydrophobicContact CB-CD1 4.05Å; F151-L188 HydrophobicContact CB-CD2 4.45Å; F151-L188 HydrophobicContact CD2-CD2 3.81Å; F151-L188 HydrophobicContact CE2-CD2 4.38Å; F151-L188 HydrophobicContact CG-CD1 4.4Å; F151-L188 HydrophobicContact CG-CD2 4.26Å; A154-L188 HydrophobicContact CB-CD1 4.12Å; W161-L188 HydrophobicContact CD2-CD1 4.11Å; W161-L188 HydrophobicContact CG-CD1 4.35Å; W161-L188 HydrophobicContact CG-CD2 4.39Å; W161-L188 HydrophobicContact CG-CG 4.42Å; W161-L188 HydrophobicContact CZ2-CD1 3.9Å; V185-L188 HydrophobicContact CG1-CD2 3.64Å; L188-V192 HydrophobicContact CD2-CG2 3.93Å; L188-L217 HydrophobicContact CD1-CD2 3.9Å; L188-L217 HydrophobicContact CD2-CD2 3.87Å; L188-A226 HydrophobicContact CD1-CB 3.55Å |
| 189 | G | 78.6 | Confident | 87.2 | Confident | 71 Ų | 71 | 56.8 Ų | 56.8 | 73% | 0.732 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -65.6 | -59.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 190 | P | 83.4 | Confident | 86.4 | Confident | 85 Ų | 85 | 54.9 Ų | 54.9 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -73.5 | 157.6 | 171.5 | 30.4 | -33.4 | 0 | 0 | 0 | 111.2 | V192 | P190-V192 PolarHBondContact O-N 3.25Š|
| 191 | P | 88.6 | Confident | 85.7 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 16% | 0.156 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 126.6 | 171.3 | 24.9 | -32.4 | 0 | 0 | 0 | 109.7 | L149 R150 R193 | L149-P191 CarbonylContact O-C 3.48Å; L149-P191 VanDerWaalsContact O-CA 3.31Å; L149-P191 WeakPolarHBondContact O-CA 3.49Å; R150-P191 HydrophobicContact CG-CB 4.02Å; P191-R193 PolarHBondContact O-N 3.38Å |
| 192 | V | 92.4 | Very high | 84.5 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 126.7 | 176.3 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | E148 L149 F151 L163 V185 L188 P190 | E148-V192 WeakPolarHBondContact CA-O 3.42Å; L149-V192 HydrophobicContact CB-CB 4.34Å; L149-V192 PolarHBondContact N-O 2.65Å; L149-V192 PolarHBondContact O-N 2.82Å; F151-V192 HydrophobicContact CD2-CG2 3.92Å; F151-V192 HydrophobicContact CE2-CB 4.18Å; F151-V192 HydrophobicContact CE2-CG2 3.84Å; L163-V192 HydrophobicContact CD2-CG1 4.03Å; V185-V192 HydrophobicContact CG1-CB 4.49Å; V185-V192 HydrophobicContact CG1-CG1 4.08Å; V185-V192 HydrophobicContact CG1-CG2 3.59Å; V185-V192 HydrophobicContact CG2-CG1 3.6Å; L188-V192 HydrophobicContact CD2-CG2 3.93Å; P190-V192 PolarHBondContact O-N 3.25Å |
| 193 | R | 93.8 | Very high | 83.1 | Confident | 131 Ų | 131 | 56.8 Ų | 56.8 | 49% | 0.494 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.2 | -177.4 | -67.5 | 173.4 | 178 | 137.3 | 8.8 | 110.4 | R146 L147 E148 Q183 P191 | R146-R193 HydrophobicContact CG-CB 4.27Å; R146-R193 HydrophobicContact CG-CG 4.45Å; L147-R193 VanDerWaalsContact O-CA 3.32Å; L147-R193 WeakPolarHBondContact O-CA 3.06Å; E148-R193 HydrophobicContact CG-CG 4.28Å; E148-R193 IonicContact OE1-NE 3.91Å; E148-R193 PolarHBondContact OE1-NE 3Å; E148-R193 VanDerWaalsContact OE1-NE 3.12Å; Q183-R193 PolarHBondContact NE2-O 3.01Å; Q183-R193 PolarHBondContact OE1-O 3.37Å; P191-R193 PolarHBondContact O-N 3.38Å |
| 194 | A | 92.6 | Very high | 81.6 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 127.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R146 L147 L163 L181 | R146-A194 CarbonylContact C-O 3.42Å; R146-A194 WeakPolarHBondContact CA-O 3.35Å; L147-A194 HydrophobicContact CB-CB 4.25Å; L147-A194 PolarHBondContact N-O 2.87Å; L147-A194 PolarHBondContact O-N 2.82Å; L163-A194 HydrophobicContact CD2-CB 4.38Å; L181-A194 HydrophobicContact CD2-CB 3.52Å |
| 195 | E | 92 | Very high | 80.3 | Confident | 72 Ų | 72 | 59.2 Ų | 59.2 | 34% | 0.336 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 123.6 | 175.5 | -63.2 | -68.5 | 163.5 | 0 | 0 | 109.6 | R144 R146 | R144-E195 WeakPolarHBondContact CG-OE2 2.92Å; R144-E195 IonicContact NE-OE1 2.98Å; R144-E195 IonicContact NE-OE2 3.28Å; R146-E195 IonicContact CZ-OE1 3.16Å; R146-E195 IonicContact NE-OE1 3.12Å; R146-E195 PolarHBondContact NE-OE1 2.81Å; R146-E195 IonicContact NH2-OE1 2.67Å; R146-E195 PolarHBondContact NH2-OE1 3.38Å |
| 196 | L | 88.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 39% | 0.391 | C | S | . | . | trans | -101.8 | -10.9 | -178 | -59.4 | -177.5 | 0 | 0 | 0 | 112.8 | A145 L147 V165 G198 T199 A200 W201 L213 L233 | A145-L196 HydrophobicContact CB-CB 4.35Å; A145-L196 PolarHBondContact O-N 3.02Å; L147-L196 HydrophobicContact CB-CD1 3.99Å; L147-L196 HydrophobicContact CB-CG 4.18Å; V165-L196 HydrophobicContact CG1-CD2 4.17Å; L196-G198 PolarHBondContact O-N 3.32Å; L196-T199 PolarHBondContact O-N 3.2Å; L196-T199 PolarHBondContact O-OG1 2.64Å; L196-T199 VanDerWaalsContact O-OG1 3.11Å; L196-A200 HydrophobicContact CB-CB 4.04Å; L196-A200 WeakPolarHBondContact O-CB 3.34Å; L196-A200 PolarHBondContact O-N 3.08Å; L196-W201 HydrophobicContact CB-CE3 4.47Å; L196-W201 HydrophobicContact CB-CZ3 4.41Å; L196-L213 HydrophobicContact CD1-CD1 3.64Å; L196-L233 HydrophobicContact CD1-CD1 4.15Å | ||
| 197 | L | 84.3 | Confident | 79.1 | Confident | 46 Ų | 46 | 60.5 Ų | 60.5 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -69.9 | 128.5 | 179.7 | -171.1 | 63.2 | 0 | 0 | 0 | 110.3 | P142 S143 A145 T199 | P142-L197 HydrophobicContact CB-CD1 3.58Å; P142-L197 HydrophobicContact CG-CD1 3.93Å; S143-L197 WeakPolarHBondContact O-CD2 3.21Å; A145-L197 HydrophobicContact CB-CB 4.4Å; L197-T199 VanDerWaalsContact C-N 3.31Å; L197-T199 PolarHBondContact O-N 2.99Å |
| 198 | G | 77.1 | Confident | 79.2 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 61% | 0.608 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -26.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L196 W201 | L196-G198 PolarHBondContact O-N 3.32Å; G198-W201 WeakPolarHBondContact CA-O 3.34Å; G198-W201 PolarHBondContact N-O 3.41Å |
| 199 | T | 72 | Confident | 79.4 | Confident | 62 Ų | 62 | 69.3 Ų | 69.3 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -48.1 | 176.4 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | L180 L196 L197 | L180-T199 WeakPolarHBondContact O-CB 3.28Å; L196-T199 PolarHBondContact O-N 3.2Å; L196-T199 PolarHBondContact O-OG1 2.64Å; L196-T199 VanDerWaalsContact O-OG1 3.11Å; L197-T199 VanDerWaalsContact C-N 3.31Å; L197-T199 PolarHBondContact O-N 2.99Å |
| 200 | A | 67.9 | Low | 79.8 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 24% | 0.24 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -26.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L180 L196 | L180-A200 HydrophobicContact CD1-CB 3.84Å; L196-A200 HydrophobicContact CB-CB 4.04Å; L196-A200 WeakPolarHBondContact O-CB 3.34Å; L196-A200 PolarHBondContact O-N 3.08Å |
| 201 | W | 73.2 | Confident | 80.1 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 6% | 0.057 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -136.5 | 124.2 | -178.4 | -73.6 | -67.3 | 0 | 0 | 0 | 112.2 | L133 A145 L196 G198 W207 P208 L211 L233 | L133-W201 HydrophobicContact CD1-CH2 3.86Å; L133-W201 HydrophobicContact CD1-CZ2 3.48Å; L133-W201 VanDerWaalsContact CD1-CZ2 3.48Å; A145-W201 HydrophobicContact CB-CE3 4.01Å; A145-W201 HydrophobicContact CB-CZ3 3.84Å; L196-W201 HydrophobicContact CB-CE3 4.47Å; L196-W201 HydrophobicContact CB-CZ3 4.41Å; G198-W201 WeakPolarHBondContact CA-O 3.34Å; G198-W201 PolarHBondContact N-O 3.41Å; W201-W207 HydrophobicContact CD2-CZ3 4.04Å; W201-W207 AromaticContact CE2-CZ3 3.89Å; W201-W207 HydrophobicContact CE3-CZ3 4.31Å; W201-W207 HydrophobicContact CH2-CZ3 4.12Å; W201-W207 HydrophobicContact CZ2-CE3 4.24Å; W201-W207 AromaticContact CZ2-CZ3 3.94Å; W201-W207 HydrophobicContact CZ2-CZ3 3.94Å; W201-W207 HydrophobicContact CZ3-CZ3 4.36Å; W201-P208 HydrophobicContact CZ2-CG 4.14Å; W201-P208 VanDerWaalsContact NE1-CD 3.28Å; W201-L211 HydrophobicContact CH2-CB 4.18Å; W201-L211 HydrophobicContact CH2-CD1 3.97Å; W201-L211 HydrophobicContact CH2-CD2 3.14Å; W201-L211 HydrophobicContact CH2-CG 3.91Å; W201-L211 HydrophobicContact CZ2-CB 3.98Å; W201-L211 HydrophobicContact CZ2-CD1 3.61Å; W201-L211 HydrophobicContact CZ2-CD2 3.69Å; W201-L211 HydrophobicContact CZ2-CG 3.92Å; W201-L211 HydrophobicContact CZ3-CD2 3.87Å; W201-L233 HydrophobicContact CH2-CD2 4.17Å |
| 202 | A | 65.7 | Low | 80.1 | Confident | 64 Ų | 64 | 68.9 Ų | 68.9 | 53% | 0.529 | 36% | 0.364 | S | S | . | . | trans | -68.9 | 145.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | N204 A205 | A202-N204 PolarHBondContact O-N 3.22Å; A202-A205 HydrophobicContact CB-CB 4.14Å; A202-A205 PolarHBondContact O-N 2.95Å | ||
| 203 | R | 63.9 | Low | 80 | Confident | 195 Ų | 195 | 68.4 Ų | 68.4 | 74% | 0.736 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.4 | -178.7 | -78.7 | -174.5 | -95.7 | -124 | -0.9 | 114.8 | ||
| 204 | N | 60.8 | Low | 79.8 | Confident | 163 Ų | 163 | 62.6 Ų | 62.6 | 87% | 0.872 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | 4.8 | -177.8 | -59.7 | -10.3 | 0 | 0 | 0 | 113.3 | A202 | A202-N204 PolarHBondContact O-N 3.22Š|
| 205 | A | 66.5 | Low | 79.7 | Confident | 45 Ų | 45 | 62.7 Ų | 62.7 | 37% | 0.372 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 145.5 | -180 | 0 | 0 | 0 | 0 | 0 | 111 | A202 | A202-A205 HydrophobicContact CB-CB 4.14Å; A202-A205 PolarHBondContact O-N 2.95Å |
| 206 | S | 73.3 | Confident | 79.6 | Confident | 101 Ų | 101 | 59.5 Ų | 59.5 | 71% | 0.706 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 146.8 | 170.2 | 49.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 207 | W | 79 | Confident | 79.6 | Confident | 30 Ų | 30 | 59.5 Ų | 59.5 | 11% | 0.114 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 126.7 | 178.4 | -70.4 | 103 | 0 | 0 | 0 | 111.2 | L133 V136 E140 P142 W201 L235 T237 | L133-W207 HydrophobicContact CD1-CE3 3.99Å; L133-W207 HydrophobicContact CD1-CZ3 4.33Å; V136-W207 HydrophobicContact CB-CB 4.47Å; V136-W207 HydrophobicContact CB-CD2 4.45Å; V136-W207 HydrophobicContact CB-CG 4.18Å; V136-W207 HydrophobicContact CG1-CB 4.4Å; V136-W207 VanDerWaalsContact CG1-CD1 3.44Å; V136-W207 HydrophobicContact CG1-CD2 3.77Å; V136-W207 HydrophobicContact CG1-CG 3.63Å; V136-W207 HydrophobicContact CG1-CZ2 4.39Å; E140-W207 PolarHBondContact O-NE1 2.87Å; P142-W207 HydrophobicContact CB-CH2 3.68Å; P142-W207 HydrophobicContact CB-CZ2 3.45Å; P142-W207 VanDerWaalsContact CB-CZ2 3.45Å; P142-W207 HydrophobicContact CG-CH2 4.37Å; P142-W207 HydrophobicContact CG-CZ2 3.94Å; W201-W207 HydrophobicContact CD2-CZ3 4.04Å; W201-W207 AromaticContact CE2-CZ3 3.89Å; W201-W207 HydrophobicContact CE3-CZ3 4.31Å; W201-W207 HydrophobicContact CH2-CZ3 4.12Å; W201-W207 HydrophobicContact CZ2-CE3 4.24Å; W201-W207 AromaticContact CZ2-CZ3 3.94Å; W201-W207 HydrophobicContact CZ2-CZ3 3.94Å; W201-W207 HydrophobicContact CZ3-CZ3 4.36Å; W207-L235 HydrophobicContact CH2-CD1 3.32Å; W207-L235 HydrophobicContact CH2-CD2 4.01Å; W207-L235 HydrophobicContact CH2-CG 4.24Å; W207-L235 HydrophobicContact CZ2-CD1 4.14Å; W207-L235 HydrophobicContact CZ2-CD2 4.42Å; W207-L235 HydrophobicContact CZ3-CD1 3.91Å; W207-L235 HydrophobicContact CZ3-CD2 4.21Å; W207-T237 HydrophobicContact CZ2-CG2 3.79Å |
| 208 | P | 85.8 | Confident | 79.9 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 31% | 0.312 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 145.2 | 167.5 | 30.3 | -32.8 | 0 | 0 | 0 | 108.6 | L133 W201 S210 | L133-P208 WeakPolarHBondContact CB-O 3.32Å; L133-P208 HydrophobicContact CD1-CG 4.28Å; W201-P208 HydrophobicContact CZ2-CG 4.14Å; W201-P208 VanDerWaalsContact NE1-CD 3.28Å; P208-S210 PolarHBondContact O-N 3.32Å |
| 209 | R | 87.1 | Confident | 80.4 | Confident | 205 Ų | 205 | 62.2 Ų | 62.2 | 77% | 0.774 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -63.6 | -30.6 | 175.7 | -68.4 | -171.1 | 178.3 | 171.6 | 0.1 | 112.8 | L133 S134 | L133-R209 CarbonylContact C-O 3.57Å; L133-R209 PolarHBondContact N-O 2.97Å; S134-R209 PolarHBondContact N-O 2.86Å; S134-R209 PolarHBondContact OG-O 3.41Å |
| 210 | S | 88.9 | Confident | 81.1 | Confident | 47 Ų | 47 | 67.1 Ų | 67.1 | 33% | 0.329 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 132.8 | 176.6 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | V130 F131 P208 | V130-S210 VanDerWaalsContact CG1-OG 3.28Å; V130-S210 WeakPolarHBondContact CG1-OG 3.35Å; F131-S210 WeakPolarHBondContact O-CA 3.4Å; F131-S210 PolarHBondContact O-OG 2.86Å; P208-S210 PolarHBondContact O-N 3.32Å |
| 211 | L | 89.1 | Confident | 81.9 | Confident | 11 Ų | 11 | 68.2 Ų | 68.2 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.3 | 173 | 177.1 | 72.6 | 0 | 0 | 0 | 109 | V130 F131 L133 W201 L213 L233 | V130-L211 CarbonylContact C-O 3.58Å; V130-L211 WeakPolarHBondContact CA-O 3.43Å; F131-L211 HydrophobicContact CB-CB 4.36Å; F131-L211 HydrophobicContact CD2-CD2 3.88Å; F131-L211 HydrophobicContact CD2-CG 4.49Å; F131-L211 PolarHBondContact N-O 3.38Å; F131-L211 PolarHBondContact O-N 3.13Å; L133-L211 HydrophobicContact CD1-CB 4Å; W201-L211 HydrophobicContact CH2-CB 4.18Å; W201-L211 HydrophobicContact CH2-CD1 3.97Å; W201-L211 HydrophobicContact CH2-CD2 3.14Å; W201-L211 HydrophobicContact CH2-CG 3.91Å; W201-L211 HydrophobicContact CZ2-CB 3.98Å; W201-L211 HydrophobicContact CZ2-CD1 3.61Å; W201-L211 HydrophobicContact CZ2-CD2 3.69Å; W201-L211 HydrophobicContact CZ2-CG 3.92Å; W201-L211 HydrophobicContact CZ3-CD2 3.87Å; L211-L213 HydrophobicContact CD1-CD2 3.97Å; L211-L213 HydrophobicContact CD1-CG 4.46Å; L211-L213 HydrophobicContact CD2-CD1 3.89Å; L211-L213 HydrophobicContact CD2-CD2 4.16Å; L211-L213 HydrophobicContact CD2-CG 3.92Å; L211-L213 HydrophobicContact CG-CD2 4.09Å; L211-L213 HydrophobicContact CG-CG 4.02Å; L211-L233 HydrophobicContact CD2-CD2 4.42Å |
| 212 | R | 89 | Confident | 82.2 | Confident | 113 Ų | 113 | 73.2 Ų | 73.2 | 43% | 0.426 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.9 | 173.5 | -56.8 | -172.7 | -179.5 | 148.6 | 0.4 | 110 | V129 V130 A168 | V129-R212 WeakPolarHBondContact O-CA 3.45Å; V130-R212 HydrophobicContact CG1-CG 4.13Å; V130-R212 HydrophobicContact CG2-CG 4.04Å; A168-R212 HydrophobicContact CB-CB 3.92Å; A168-R212 PolarHBondContact N-O 2.9Å |
| 213 | L | 89.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 138.3 | 178 | -58.2 | 178.3 | 0 | 0 | 0 | 109.9 | T128 V129 F131 L147 V165 S166 L180 L196 L211 L215 | T128-L213 WeakPolarHBondContact CA-O 3.42Å; V129-L213 HydrophobicContact CG2-CB 3.83Å; V129-L213 PolarHBondContact N-O 3.25Å; V129-L213 PolarHBondContact O-N 3.24Å; F131-L213 HydrophobicContact CE2-CD1 4.15Å; L147-L213 HydrophobicContact CD2-CD1 4.34Å; V165-L213 HydrophobicContact CG1-CB 4.37Å; V165-L213 HydrophobicContact CG1-CD1 4.04Å; V165-L213 HydrophobicContact CG1-CD2 4.29Å; V165-L213 HydrophobicContact CG1-CG 4.48Å; S166-L213 WeakPolarHBondContact O-CA 3.13Å; L180-L213 HydrophobicContact CD1-CD2 4.09Å; L196-L213 HydrophobicContact CD1-CD1 3.64Å; L211-L213 HydrophobicContact CD1-CD2 3.97Å; L211-L213 HydrophobicContact CD1-CG 4.46Å; L211-L213 HydrophobicContact CD2-CD1 3.89Å; L211-L213 HydrophobicContact CD2-CD2 4.16Å; L211-L213 HydrophobicContact CD2-CG 3.92Å; L211-L213 HydrophobicContact CG-CD2 4.09Å; L211-L213 HydrophobicContact CG-CG 4.02Å; L213-L215 HydrophobicContact CB-CD2 4.3Å |
| 214 | A | 90 | Very high | 83.6 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 7% | 0.074 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 131 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | W127 S166 A168 | W127-A214 CarbonylContact O-C 3.55Å; W127-A214 WeakPolarHBondContact O-CA 3.38Å; S166-A214 PolarHBondContact N-O 2.74Å; S166-A214 PolarHBondContact O-N 3.08Å; S166-A214 WeakPolarHBondContact OG-CB 3.35Å; S166-A214 PolarHBondContact OG-O 2.69Å; A168-A214 HydrophobicContact CB-CB 4.33Å |
| 215 | L | 90.8 | Very high | 84.6 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.2 | -176.6 | -53.2 | 178.7 | 0 | 0 | 0 | 108.6 | E126 W127 V129 L147 L149 V165 L213 L228 | E126-L215 WeakPolarHBondContact CA-O 3.33Å; W127-L215 HydrophobicContact CB-CB 4.44Å; W127-L215 HydrophobicContact CE3-CB 4.33Å; W127-L215 PolarHBondContact N-O 2.66Å; W127-L215 PolarHBondContact O-N 3.46Å; V129-L215 HydrophobicContact CB-CD1 4.45Å; V129-L215 HydrophobicContact CG1-CD1 3.71Å; V129-L215 HydrophobicContact CG2-CD1 3.83Å; V129-L215 HydrophobicContact CG2-CG 4.13Å; L147-L215 HydrophobicContact CD2-CD2 3.84Å; L149-L215 HydrophobicContact CD1-CD1 4.05Å; L149-L215 HydrophobicContact CD2-CD1 3.64Å; V165-L215 HydrophobicContact CB-CD2 4.29Å; V165-L215 HydrophobicContact CG1-CD2 3.91Å; V165-L215 HydrophobicContact CG2-CD2 3.89Å; L213-L215 HydrophobicContact CB-CD2 4.3Å; L215-L228 HydrophobicContact CD1-CD2 4.14Å |
| 216 | A | 89.3 | Confident | 85.5 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | E126 S164 | E126-A216 HydrophobicContact CG-CB 3.93Å; S164-A216 PolarHBondContact N-O 3.22Å; S164-A216 PolarHBondContact O-N 3.07Å; S164-A216 WeakPolarHBondContact OG-CB 3.36Å; S164-A216 PolarHBondContact OG-O 2.93Å |
| 217 | L | 88.8 | Confident | 86 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 112 | 175.6 | -169.8 | 78.7 | 0 | 0 | 0 | 108.3 | W127 F151 W161 E162 L163 L188 A226 | W127-L217 HydrophobicContact CH2-CB 4.31Å; W127-L217 HydrophobicContact CZ3-CB 3.89Å; F151-L217 HydrophobicContact CD1-CD2 3.96Å; F151-L217 HydrophobicContact CD2-CD2 4.43Å; F151-L217 HydrophobicContact CE1-CB 4.25Å; F151-L217 HydrophobicContact CE1-CD2 3.81Å; F151-L217 HydrophobicContact CE2-CD2 4.28Å; F151-L217 HydrophobicContact CG-CD2 4.27Å; F151-L217 HydrophobicContact CZ-CB 4.41Å; F151-L217 HydrophobicContact CZ-CD1 4.45Å; F151-L217 HydrophobicContact CZ-CD2 3.98Å; W161-L217 HydrophobicContact CB-CD1 3.8Å; W161-L217 HydrophobicContact CB-CD2 4.34Å; W161-L217 HydrophobicContact CB-CG 4.03Å; W161-L217 HydrophobicContact CD2-CD2 3.97Å; W161-L217 HydrophobicContact CD2-CG 4.24Å; W161-L217 HydrophobicContact CE3-CD2 3.76Å; W161-L217 HydrophobicContact CE3-CG 3.8Å; W161-L217 HydrophobicContact CG-CD2 4.24Å; W161-L217 HydrophobicContact CG-CG 4.38Å; W161-L217 HydrophobicContact CZ3-CD2 4.3Å; E162-L217 WeakPolarHBondContact O-CA 3.31Å; L163-L217 HydrophobicContact CB-CD1 3.81Å; L163-L217 HydrophobicContact CD1-CD1 4.2Å; L188-L217 HydrophobicContact CD1-CD2 3.9Å; L188-L217 HydrophobicContact CD2-CD2 3.87Å; L217-A226 HydrophobicContact CD2-CB 3.91Å |
| 218 | R | 89.1 | Confident | 86.5 | Confident | 134 Ų | 134 | 62 Ų | 62 | 51% | 0.506 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.9 | -175.9 | -62.7 | -175.5 | -177.2 | 172.3 | 2.2 | 110.2 | E126 E162 | E126-R218 IonicContact OE1-NH2 3.95Å; E126-R218 PolarHBondContact OE1-NH2 2.72Å; E126-R218 VanDerWaalsContact OE1-NH2 3.16Å; E162-R218 PolarHBondContact N-O 2.85Å; E162-R218 PolarHBondContact O-N 3.16Å |
| 219 | P | 88.3 | Confident | 86.6 | Confident | 28 Ų | 28 | 62.1 Ų | 62.1 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 142.2 | 173.9 | 33.9 | -35.3 | 0 | 0 | 0 | 109.1 | C124 P157 W161 T221 A223 | C124-P219 VanDerWaalsContact SG-CD 3.59Å; P157-P219 HydrophobicContact CB-CB 4.13Å; P157-P219 HydrophobicContact CG-CB 3.8Å; W161-P219 HydrophobicContact CD2-CB 4.49Å; W161-P219 HydrophobicContact CE3-CB 3.86Å; W161-P219 HydrophobicContact CH2-CB 4.35Å; W161-P219 HydrophobicContact CZ3-CB 3.81Å; W161-P219 HydrophobicContact CZ3-CG 4.15Å; P219-T221 VanDerWaalsContact C-N 3.29Å; P219-T221 VanDerWaalsContact CB-O 3.27Å; P219-T221 WeakPolarHBondContact CB-O 3.48Å; P219-A223 HydrophobicContact CB-CB 4.01Å; P219-A223 HydrophobicContact CG-CB 4.33Å |
| 220 | R | 87.7 | Confident | 86.7 | Confident | 164 Ų | 164 | 58.2 Ų | 58.2 | 62% | 0.619 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -76.6 | -19.7 | 179.3 | -68.9 | -169.2 | 67.8 | -152.7 | 0.7 | 113.4 | G159 G160 | G159-R220 WeakPolarHBondContact O-CD 2.94Å; G160-R220 PolarHBondContact O-N 3Å; G160-R220 VanDerWaalsContact O-N 3.09Å |
| 221 | T | 83.1 | Confident | 86.9 | Confident | 52 Ų | 52 | 56.5 Ų | 56.5 | 32% | 0.319 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -120.8 | 158.8 | 170.6 | 49 | 0 | 0 | 0 | 0 | 109.4 | P157 E158 P219 A223 | P157-T221 WeakPolarHBondContact CB-OG1 3.17Å; E158-T221 HydrophobicContact CB-CG2 4.42Å; E158-T221 PolarHBondContact N-OG1 2.82Å; E158-T221 WeakPolarHBondContact O-CG2 3.43Å; E158-T221 PolarHBondContact O-OG1 3.18Å; P219-T221 VanDerWaalsContact C-N 3.29Å; P219-T221 VanDerWaalsContact CB-O 3.27Å; P219-T221 WeakPolarHBondContact CB-O 3.48Å; T221-A223 PolarHBondContact O-N 2.93Å |
| 222 | P | 79.8 | Confident | 87.2 | Confident | 121 Ų | 121 | 56.8 Ų | 56.8 | 79% | 0.786 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -60 | 111.6 | -178.9 | -20.7 | 32 | 0 | 0 | 0 | 111 | ||
| 223 | A | 78.6 | Confident | 87.4 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | trans | -149.1 | 164.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111 | P157 P219 T221 | P157-A223 HydrophobicContact CB-CB 3.8Å; P219-A223 HydrophobicContact CB-CB 4.01Å; P219-A223 HydrophobicContact CG-CB 4.33Å; T221-A223 PolarHBondContact O-N 2.93Å | ||
| 224 | A | 80.7 | Confident | 87.7 | Confident | 84 Ų | 84 | 51.4 Ų | 51.4 | 69% | 0.694 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -63 | 140.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | W161 | W161-A224 WeakPolarHBondContact CH2-O 3.35Š|
| 225 | C | 82.7 | Confident | 87.9 | Confident | 50 Ų | 50 | 51 Ų | 51 | 34% | 0.338 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 145.8 | -178.7 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | C124 | C124-C225 WeakPolarHBondContact CA-SG 3.4Å; C124-C225 HydrophobicContact CB-CB 3.75Å; C124-C225 WeakPolarHBondContact CB-SG 3.44Å; C124-C225 WeakPolarHBondContact SG-CB 3.43Å; C124-C225 CovalentContact SG-SG 2.04Å; C124-C225 PolarHBondContact SG-SG 2.83Å |
| 226 | A | 83.9 | Confident | 88 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.033 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 155.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | W127 F151 A154 W161 L188 L217 | W127-A226 VanDerWaalsContact CH2-O 3.3Å; W127-A226 WeakPolarHBondContact CH2-O 3.3Å; W127-A226 VanDerWaalsContact CZ2-O 3.22Å; W127-A226 WeakPolarHBondContact CZ2-O 3.35Å; F151-A226 HydrophobicContact CB-CB 4.25Å; F151-A226 HydrophobicContact CD1-CB 4.15Å; F151-A226 HydrophobicContact CG-CB 4.48Å; A154-A226 HydrophobicContact CB-CB 3.85Å; W161-A226 HydrophobicContact CH2-CB 3.95Å; W161-A226 HydrophobicContact CZ2-CB 4.35Å; W161-A226 HydrophobicContact CZ3-CB 4.27Å; L188-A226 HydrophobicContact CD1-CB 3.55Å; L217-A226 HydrophobicContact CD2-CB 3.91Å |
| 227 | R | 85.4 | Confident | 88.1 | Confident | 163 Ų | 163 | 50.7 Ų | 50.7 | 62% | 0.615 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.4 | 173 | -172.9 | 178.5 | 71.4 | 90.9 | -3.5 | 109.9 | F151 A152 A229 | F151-R227 CarbonylContact C-O 3.53Å; F151-R227 VanDerWaalsContact CA-O 3.31Å; F151-R227 WeakPolarHBondContact CA-O 3.43Å; A152-R227 HydrophobicContact CB-CB 4.37Å; A152-R227 PolarHBondContact N-O 2.9Å; R227-A229 PolarHBondContact O-N 3.36Å |
| 228 | L | 88.6 | Confident | 88.1 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 123 | 170.6 | -174.5 | 67.3 | 0 | 0 | 0 | 109.4 | W127 V129 L149 F151 L215 A231 | W127-L228 HydrophobicContact CB-CD2 3.94Å; W127-L228 HydrophobicContact CD2-CB 3.76Å; W127-L228 HydrophobicContact CD2-CD2 4.21Å; W127-L228 HydrophobicContact CE3-CB 4.27Å; W127-L228 HydrophobicContact CG-CB 4.04Å; W127-L228 HydrophobicContact CG-CD2 3.92Å; W127-L228 HydrophobicContact CZ2-CB 4.09Å; V129-L228 HydrophobicContact CG1-CD2 4.13Å; L149-L228 HydrophobicContact CB-CD1 4.02Å; L149-L228 HydrophobicContact CD2-CD1 4.08Å; F151-L228 HydrophobicContact CD1-CB 4.25Å; F151-L228 HydrophobicContact CD1-CD1 4.09Å; F151-L228 HydrophobicContact CE1-CB 4.11Å; F151-L228 HydrophobicContact CE1-CD1 3.69Å; F151-L228 HydrophobicContact CE2-CD1 4.45Å; F151-L228 HydrophobicContact CZ-CD1 3.9Å; L215-L228 HydrophobicContact CD1-CD2 4.14Å; L228-A231 HydrophobicContact CD2-CB 4.33Å |
| 229 | A | 88.4 | Confident | 88 | Confident | 50 Ų | 50 | 46.2 Ų | 46.2 | 41% | 0.413 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -46.1 | -180 | 0 | 0 | 0 | 0 | 0 | 111.2 | R150 R227 | R150-A229 WeakPolarHBondContact O-CA 3.46Å; R150-A229 WeakPolarHBondContact O-CB 3.38Å; R150-A229 PolarHBondContact O-N 3.43Å; R227-A229 PolarHBondContact O-N 3.36Å |
| 230 | E | 89.7 | Confident | 87.6 | Confident | 124 Ų | 124 | 47.5 Ų | 47.5 | 58% | 0.579 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 145.2 | -179.9 | -60.6 | 177.2 | -179.1 | 0 | 0 | 110.3 | R150 | R150-E230 HydrophobicContact CB-CB 4.17Å; R150-E230 WeakPolarHBondContact CD-OE2 3.49Å; R150-E230 PolarHBondContact N-O 2.96Å; R150-E230 IonicContact NE-OE2 3.66Å; R150-E230 PolarHBondContact O-N 3.11Å |
| 231 | A | 92.9 | Very high | 87.2 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | D107 V129 E148 L149 L228 | D107-A231 HydrophobicContact CB-CB 4.1Å; D107-A231 WeakPolarHBondContact CB-O 3.31Å; D107-A231 PolarHBondContact N-O 3.14Å; V129-A231 HydrophobicContact CG1-CB 3.83Å; E148-A231 WeakPolarHBondContact O-CA 3.48Å; L149-A231 HydrophobicContact CD2-CB 3.61Å; L228-A231 HydrophobicContact CD2-CB 4.33Å |
| 232 | S | 94.4 | Very high | 86.8 | Confident | 16 Ų | 16 | 44.9 Ų | 44.9 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 157.9 | 173.6 | 65.2 | 0 | 0 | 0 | 0 | 111.5 | H104 I105 E148 | H104-S232 VanDerWaalsContact CE1-CB 3.48Å; H104-S232 WeakPolarHBondContact CE1-CB 3.41Å; H104-S232 VanDerWaalsContact NE2-CB 3.33Å; H104-S232 WeakPolarHBondContact NE2-CB 3.02Å; H104-S232 PolarHBondContact NE2-OG 3.18Å; H104-S232 VanDerWaalsContact NE2-OG 3.1Å; I105-S232 CarbonylContact O-C 3.55Å; I105-S232 WeakPolarHBondContact O-CA 3.47Å; E148-S232 PolarHBondContact N-O 3.17Å; E148-S232 PolarHBondContact O-N 2.74Å |
| 233 | L | 94.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 117.2 | 177 | 178.6 | 70.1 | 0 | 0 | 0 | 108.7 | I105 F131 L133 A145 L196 W201 L211 | I105-L233 HydrophobicContact CB-CB 4.27Å; I105-L233 PolarHBondContact N-O 3.01Å; I105-L233 PolarHBondContact O-N 2.75Å; F131-L233 HydrophobicContact CB-CD2 4.29Å; F131-L233 HydrophobicContact CD1-CB 3.82Å; F131-L233 HydrophobicContact CD2-CB 4.28Å; F131-L233 HydrophobicContact CD2-CD2 4.35Å; F131-L233 HydrophobicContact CE1-CB 3.93Å; F131-L233 HydrophobicContact CE2-CB 4.36Å; F131-L233 HydrophobicContact CG-CB 4Å; F131-L233 HydrophobicContact CG-CD2 4.23Å; F131-L233 HydrophobicContact CZ-CB 4.19Å; L133-L233 HydrophobicContact CD2-CD2 4.05Å; A145-L233 HydrophobicContact CB-CD1 4.49Å; L196-L233 HydrophobicContact CD1-CD1 4.15Å; W201-L233 HydrophobicContact CH2-CD2 4.17Å; L211-L233 HydrophobicContact CD2-CD2 4.42Å |
| 234 | L | 95.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 109.6 | 169 | -175.7 | 71.4 | 0 | 0 | 0 | 108.7 | M62 L95 V102 R103 R146 | M62-L234 HydrophobicContact SD-CD1 4.45Å; L95-L234 HydrophobicContact CD1-CD2 4.26Å; L95-L234 HydrophobicContact CD2-CD2 4.41Å; V102-L234 HydrophobicContact CG1-CD1 3.81Å; R103-L234 WeakPolarHBondContact O-CA 3.43Å; R146-L234 HydrophobicContact CB-CB 4.4Å; R146-L234 PolarHBondContact N-O 2.77Å; R146-L234 PolarHBondContact O-N 3.48Å |
| 235 | L | 94.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.7 | -177.4 | -176.8 | 69.4 | 0 | 0 | 0 | 110.4 | V102 R103 I105 V136 R144 A145 W207 T237 | V102-L235 CarbonylContact C-O 3.58Å; V102-L235 WeakPolarHBondContact CA-O 3.45Å; R103-L235 HydrophobicContact CB-CB 4.37Å; R103-L235 PolarHBondContact N-O 2.99Å; R103-L235 PolarHBondContact O-N 2.7Å; I105-L235 HydrophobicContact CD1-CB 4.35Å; I105-L235 HydrophobicContact CD1-CD2 4.21Å; V136-L235 HydrophobicContact CG2-CD2 3.82Å; R144-L235 WeakPolarHBondContact O-CA 3.41Å; R144-L235 VanDerWaalsContact O-CD1 3.26Å; R144-L235 WeakPolarHBondContact O-CD1 3.41Å; A145-L235 HydrophobicContact CB-CD1 3.91Å; W207-L235 HydrophobicContact CH2-CD1 3.32Å; W207-L235 HydrophobicContact CH2-CD2 4.01Å; W207-L235 HydrophobicContact CH2-CG 4.24Å; W207-L235 HydrophobicContact CZ2-CD1 4.14Å; W207-L235 HydrophobicContact CZ2-CD2 4.42Å; W207-L235 HydrophobicContact CZ3-CD1 3.91Å; W207-L235 HydrophobicContact CZ3-CD2 4.21Å; L235-T237 HydrophobicContact CD1-CG2 4.4Å; L235-T237 HydrophobicContact CD2-CG2 4.04Å; L235-T237 HydrophobicContact CG-CG2 4Å |
| 236 | V | 93.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.7 | 171.9 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | V92 L95 V97 I101 V102 S143 R144 | V92-V236 HydrophobicContact CG2-CG1 3.76Å; L95-V236 HydrophobicContact CD1-CG2 3.54Å; V97-V236 HydrophobicContact CG2-CB 4.13Å; V97-V236 HydrophobicContact CG2-CG1 3.83Å; V97-V236 HydrophobicContact CG2-CG2 4.15Å; I101-V236 WeakPolarHBondContact O-CA 3.41Å; V102-V236 HydrophobicContact CG1-CG2 4.32Å; V102-V236 HydrophobicContact CG2-CG1 4.33Å; V102-V236 HydrophobicContact CG2-CG2 4.25Å; S143-V236 PolarHBondContact N-O 2.88Å; R144-V236 HydrophobicContact CB-CB 3.97Å; R144-V236 HydrophobicContact CB-CG2 4Å; R144-V236 PolarHBondContact N-O 3.48Å; R144-V236 VanDerWaalsContact N-O 3.08Å; R144-V236 PolarHBondContact O-N 3.08Å |
| 237 | T | 91 | Very high | 81.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 156.6 | 178.8 | 57.1 | 0 | 0 | 0 | 0 | 111.8 | G99 N100 I101 R103 V136 E140 R141 W207 L235 | G99-T237 VanDerWaalsContact CA-O 3.26Å; G99-T237 WeakPolarHBondContact CA-O 3.24Å; N100-T237 PolarHBondContact N-O 3.4Å; N100-T237 PolarHBondContact OD1-O 2.82Å; I101-T237 PolarHBondContact N-O 2.98Å; I101-T237 PolarHBondContact O-N 2.93Å; R103-T237 PolarHBondContact NH1-OG1 2.72Å; R103-T237 VanDerWaalsContact NH1-OG1 3.07Å; V136-T237 HydrophobicContact CG1-CG2 4.39Å; E140-T237 HydrophobicContact CB-CG2 4.38Å; E140-T237 WeakPolarHBondContact OE2-CB 3.43Å; E140-T237 PolarHBondContact OE2-OG1 3.19Å; R141-T237 CarbonylContact O-C 3.5Å; R141-T237 VanDerWaalsContact O-CA 3.26Å; R141-T237 WeakPolarHBondContact O-CA 3.48Å; W207-T237 HydrophobicContact CZ2-CG2 3.79Å; L235-T237 HydrophobicContact CD1-CG2 4.4Å; L235-T237 HydrophobicContact CD2-CG2 4.04Å; L235-T237 HydrophobicContact CG-CG2 4Å |
| 238 | L | 88.8 | Confident | 79.8 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117 | 175.6 | -177.2 | 71.2 | 0 | 0 | 0 | 109.1 | C90 N100 R141 P240 C243 | C90-L238 HydrophobicContact CB-CD1 3.5Å; C90-L238 VanDerWaalsContact CB-CD1 3.5Å; N100-L238 WeakPolarHBondContact OD1-CA 3.42Å; R141-L238 PolarHBondContact N-O 3.27Å; R141-L238 PolarHBondContact O-N 3.48Å; L238-P240 WeakPolarHBondContact O-CD 3.38Å; L238-C243 HydrophobicContact CD1-CB 4.4Å; L238-C243 WeakPolarHBondContact CD1-SG 3.43Å |
| 239 | D | 87 | Confident | 77.8 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.011 | 33% | 0.325 | C | S | . | . | trans | -95.2 | 108.1 | 166.6 | -173.1 | -17.1 | 0 | 0 | 0 | 109.1 | N100 I101 E140 R241 L242 C243 | N100-D239 PolarHBondContact OD1-N 3.47Å; I101-D239 HydrophobicContact CD1-CB 4.14Å; E140-D239 HydrophobicContact CG-CB 4.26Å; D239-R241 PolarHBondContact O-N 3.41Å; D239-R241 VanDerWaalsContact O-N 3.16Å; D239-R241 VanDerWaalsContact OD1-CB 3.32Å; D239-R241 WeakPolarHBondContact OD1-CB 3.38Å; D239-R241 IonicContact OD1-CZ 3.32Å; D239-R241 PolarHBondContact OD1-N 3Å; D239-R241 IonicContact OD1-NE 2.69Å; D239-R241 PolarHBondContact OD1-NE 2.77Å; D239-R241 VanDerWaalsContact OD1-NE 3.1Å; D239-R241 IonicContact OD1-NH2 3.7Å; D239-R241 IonicContact OD2-CZ 3.52Å; D239-R241 IonicContact OD2-NE 2.74Å; D239-R241 PolarHBondContact OD2-NE 3.19Å; D239-R241 IonicContact OD2-NH2 2.77Å; D239-R241 PolarHBondContact OD2-NH2 3.42Å; D239-L242 HydrophobicContact CB-CB 4.42Å; D239-L242 HydrophobicContact CB-CD1 3.77Å; D239-L242 HydrophobicContact CB-CG 4.07Å; D239-L242 PolarHBondContact O-N 3.04Å; D239-L242 VanDerWaalsContact O-N 3.11Å; D239-C243 PolarHBondContact O-SG 3.22Å | ||
| 240 | P | 80.1 | Confident | 75.9 | Confident | 56 Ų | 56 | 65.4 Ų | 65.4 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -62.1 | -24 | -178 | 26.4 | -34.3 | 0 | 0 | 0 | 113.1 | L238 L242 C243 | L238-P240 WeakPolarHBondContact O-CD 3.38Å; P240-L242 PolarHBondContact O-N 3.34Å; P240-C243 PolarHBondContact O-N 3.28Å |
| 241 | R | 78.3 | Confident | 73.7 | Confident | 129 Ų | 129 | 70.7 Ų | 70.7 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -72.5 | -17.6 | 179.6 | -57.7 | 172.9 | -63.3 | 172.1 | 4.2 | 113.1 | E137 D239 H244 | E137-R241 IonicContact OE2-CZ 3.69Å; E137-R241 IonicContact OE2-NH1 3.08Å; E137-R241 IonicContact OE2-NH2 3.83Å; E137-R241 PolarHBondContact OE2-NH2 2.91Å; D239-R241 PolarHBondContact O-N 3.41Å; D239-R241 VanDerWaalsContact O-N 3.16Å; D239-R241 VanDerWaalsContact OD1-CB 3.32Å; D239-R241 WeakPolarHBondContact OD1-CB 3.38Å; D239-R241 IonicContact OD1-CZ 3.32Å; D239-R241 PolarHBondContact OD1-N 3Å; D239-R241 IonicContact OD1-NE 2.69Å; D239-R241 PolarHBondContact OD1-NE 2.77Å; D239-R241 VanDerWaalsContact OD1-NE 3.1Å; D239-R241 IonicContact OD1-NH2 3.7Å; D239-R241 IonicContact OD2-CZ 3.52Å; D239-R241 IonicContact OD2-NE 2.74Å; D239-R241 PolarHBondContact OD2-NE 3.19Å; D239-R241 IonicContact OD2-NH2 2.77Å; D239-R241 PolarHBondContact OD2-NH2 3.42Å; R241-H244 PolarHBondContact O-CE1 3Å |
| 242 | L | 74.9 | Confident | 71.1 | Confident | 32 Ų | 32 | 75.7 Ų | 75.7 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -103.4 | -1.5 | 178.5 | -56 | 172.7 | 0 | 0 | 0 | 111.2 | N100 D239 P240 E360 | N100-L242 WeakPolarHBondContact ND2-CB 3.44Å; D239-L242 HydrophobicContact CB-CB 4.42Å; D239-L242 HydrophobicContact CB-CD1 3.77Å; D239-L242 HydrophobicContact CB-CG 4.07Å; D239-L242 PolarHBondContact O-N 3.04Å; D239-L242 VanDerWaalsContact O-N 3.11Å; P240-L242 PolarHBondContact O-N 3.34Å; L242-E360 WeakPolarHBondContact O-CG 3.42Å |
| 243 | C | 73 | Confident | 68.6 | Low | 27 Ų | 27 | 77.3 Ų | 77.3 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | trans | -114.8 | 73.8 | -173.8 | -67.6 | 0 | 0 | 0 | 0 | 109.3 | C90 N100 L238 D239 P240 | C90-C243 HydrophobicContact CB-CB 3.87Å; C90-C243 WeakPolarHBondContact CB-SG 3.17Å; C90-C243 WeakPolarHBondContact SG-CA 3.47Å; C90-C243 WeakPolarHBondContact SG-CB 3.46Å; C90-C243 CovalentContact SG-SG 2.02Å; C90-C243 PolarHBondContact SG-SG 3.45Å; N100-C243 VanDerWaalsContact CG-SG 3.59Å; L238-C243 HydrophobicContact CD1-CB 4.4Å; L238-C243 WeakPolarHBondContact CD1-SG 3.43Å; D239-C243 PolarHBondContact O-SG 3.22Å; P240-C243 PolarHBondContact O-N 3.28Å | ||
| 244 | H | 67.3 | Low | 66 | Low | 110 Ų | 110 | 85.7 Ų | 85.7 | 51% | 0.509 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 136.7 | 172.4 | -60.3 | 99.5 | 0 | 0 | 0 | 109.2 | R241 L246 | R241-H244 PolarHBondContact O-CE1 3Å; H244-L246 PolarHBondContact O-N 2.94Å; H244-L246 VanDerWaalsContact O-N 3.15Å |
| 245 | P | 56.4 | Low | 63.2 | Low | 116 Ų | 116 | 91.3 Ų | 91.3 | 75% | 0.753 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 123.5 | 171 | -11.6 | 22.3 | 0 | 0 | 0 | 108 | A247 | P245-A247 PolarHBondContact O-N 3.09Š|
| 246 | L | 54.3 | Low | 60.7 | Low | 98 Ų | 98 | 96.4 Ų | 96.4 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 116.2 | 173.1 | -69.3 | 169.7 | 0 | 0 | 0 | 107.8 | P89 H244 R248 | P89-L246 HydrophobicContact CG-CD1 3.94Å; P89-L246 HydrophobicContact CG-CG 3.96Å; H244-L246 PolarHBondContact O-N 2.94Å; H244-L246 VanDerWaalsContact O-N 3.15Å; L246-R248 PolarHBondContact O-N 2.88Å |
| 247 | A | 47.5 | Very low | 58.5 | Low | 93 Ų | 93 | 104 Ų | 104 | 77% | 0.769 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 132.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | P245 | P245-A247 PolarHBondContact O-N 3.09Š|
| 248 | R | 46.8 | Very low | 56 | Low | 234 Ų | 234 | 106.7 Ų | 106.7 | 88% | 0.883 | 56% | 0.563 | S | S | * | * | trans | -39.7 | 129.8 | -174.2 | -122.2 | -177.6 | -157.2 | 178.7 | 5.9 | 110.6 | L246 R250 | L246-R248 PolarHBondContact O-N 2.88Å; R248-R250 PolarHBondContact O-N 3.18Å | ||
| 249 | P | 46 | Very low | 54 | Low | 119 Ų | 119 | 108.8 Ų | 108.8 | 77% | 0.773 | 59% | 0.594 | S | S | * | * | trans | -54.7 | 114.4 | 176.4 | -20.5 | 29.7 | 0 | 0 | 0 | 108.8 | ||||
| 250 | R | 48.4 | Very low | 51.9 | Low | 166 Ų | 166 | 112.8 Ų | 112.8 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 135.6 | 165.1 | -151.2 | 173.4 | -177.2 | 145.8 | -1.1 | 106 | R248 D252 | R248-R250 PolarHBondContact O-N 3.18Å; R250-D252 PolarHBondContact O-N 3.14Å |
| 251 | R | 43.2 | Very low | 50.5 | Low | 235 Ų | 235 | 116.4 Ų | 116.4 | 89% | 0.887 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 133.2 | -172.6 | -63.4 | -179.1 | -171.1 | -174.9 | 1.9 | 110.6 | A253 | R251-A253 PolarHBondContact O-N 3.08Š|
| 252 | D | 38.8 | Very low | 49.5 | Very low | 117 Ų | 117 | 112.4 Ų | 112.4 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 130.1 | 173.5 | -65.4 | -73.8 | 0 | 0 | 0 | 110 | R250 R339 | R250-D252 PolarHBondContact O-N 3.14Å; D252-R339 IonicContact OD1-CZ 2.71Å; D252-R339 VanDerWaalsContact OD1-CZ 3.28Å; D252-R339 IonicContact OD1-NH1 2.74Å; D252-R339 PolarHBondContact OD1-NH1 3.02Å; D252-R339 IonicContact OD1-NH2 3.37Å; D252-R339 PolarHBondContact OD1-NH2 3.02Å |
| 253 | A | 40.7 | Very low | 49.3 | Very low | 50 Ų | 50 | 111.4 Ų | 111.4 | 41% | 0.413 | 64% | 0.643 | S | S | . | * | trans | -106.6 | 124.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | R251 | R251-A253 PolarHBondContact O-N 3.08Š| ||
| 254 | E | 40.2 | Very low | 49.5 | Very low | 175 Ų | 175 | 113 Ų | 113 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 143.3 | 175.5 | -82.4 | -103.1 | 131.2 | 0 | 0 | 111.8 | V256 | E254-V256 PolarHBondContact O-N 2.79Š|
| 255 | P | 37.9 | Very low | 50.3 | Low | 119 Ų | 119 | 108.8 Ų | 108.8 | 77% | 0.773 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -78 | 116.9 | -178.9 | 29.9 | -31.1 | 0 | 0 | 0 | 111.4 | ||
| 256 | V | 40.9 | Very low | 51.6 | Low | 107 Ų | 107 | 108.4 Ų | 108.4 | 65% | 0.648 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 131.8 | 171.7 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | E254 G308 | E254-V256 PolarHBondContact O-N 2.79Å; V256-G308 WeakPolarHBondContact CG2-O 3.37Å |
| 257 | L | 47.4 | Very low | 53 | Low | 159 Ų | 159 | 105.7 Ų | 105.7 | 83% | 0.832 | 62% | 0.615 | S | S | * | * | trans | -84 | 113.3 | 173.3 | -81.7 | 148.2 | 0 | 0 | 0 | 110.1 | ||||
| 258 | G | 37.1 | Very low | 54.9 | Low | 57 Ų | 57 | 104.7 Ų | 104.7 | 59% | 0.588 | 59% | 0.592 | S | S | * | * | trans | -149.7 | 122 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 259 | G | 47.1 | Very low | 56.9 | Low | 83 Ų | 83 | 104 Ų | 104 | 86% | 0.856 | 59% | 0.589 | S | S | * | * | trans | -96.3 | 136 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 260 | S | 44 | Very low | 59 | Low | 87 Ų | 87 | 102 Ų | 102 | 61% | 0.608 | 57% | 0.572 | S | S | * | * | trans | -149.6 | 153.6 | 158.5 | -168.6 | 0 | 0 | 0 | 0 | 106.7 | G262 G263 | S260-G262 PolarHBondContact O-N 2.89Å; S260-G263 PolarHBondContact O-N 3.31Å | ||
| 261 | P | 49.8 | Very low | 60.9 | Low | 131 Ų | 131 | 99.8 Ų | 99.8 | 85% | 0.851 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 96.9 | -171.7 | -1.7 | 17 | 0 | 0 | 0 | 109.7 | ||
| 262 | G | 58.4 | Low | 63 | Low | 46 Ų | 46 | 90.1 Ų | 90.1 | 47% | 0.474 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 137.8 | -28.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S260 | S260-G262 PolarHBondContact O-N 2.89Š|
| 263 | G | 70.8 | Confident | 65.3 | Low | 11 Ų | 11 | 85.3 Ų | 85.3 | 11% | 0.113 | 51% | 0.506 | C | S | . | . | trans | 68.1 | 150.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S260 G296 Q297 | S260-G263 PolarHBondContact O-N 3.31Å; G263-G296 WeakPolarHBondContact O-CA 3.14Å; G263-Q297 PolarHBondContact O-N 3.11Å | ||
| 264 | A | 77.6 | Confident | 67.6 | Low | 59 Ų | 59 | 83.2 Ų | 83.2 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | B | Isolated β-bridge | trans | -60.9 | 149.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R266 | A264-R266 WeakPolarHBondContact O-CG 3.42Å; A264-R266 PolarHBondContact O-N 2.96Å |
| 265 | C | 83.3 | Confident | 69.9 | Low | 22 Ų | 22 | 82.8 Ų | 82.8 | 15% | 0.149 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -52.2 | 117.8 | 175.9 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | Q297 C335 | C265-Q297 PolarHBondContact N-O 3.12Å; C265-C335 WeakPolarHBondContact CA-SG 3.34Å; C265-C335 HydrophobicContact CB-CB 3.78Å; C265-C335 WeakPolarHBondContact CB-SG 3.38Å; C265-C335 VanDerWaalsContact SG-CA 3.51Å; C265-C335 WeakPolarHBondContact SG-CB 3.38Å; C265-C335 CovalentContact SG-SG 2.04Å; C265-C335 PolarHBondContact SG-SG 2.04Å |
| 266 | R | 84.1 | Confident | 72.1 | Confident | 108 Ų | 108 | 84.7 Ų | 84.7 | 41% | 0.408 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 161.9 | 178.7 | 62.1 | -177.4 | 157.3 | 170.6 | -3.8 | 112.4 | A264 R268 Q295 | A264-R266 WeakPolarHBondContact O-CG 3.42Å; A264-R266 PolarHBondContact O-N 2.96Å; R266-R268 VanDerWaalsContact CZ-NH1 3.3Å; R266-R268 VanDerWaalsContact NE-NH2 3.14Å; R266-R268 VanDerWaalsContact NH2-NH2 3.14Å; R266-Q295 PolarHBondContact N-O 2.77Å; R266-Q295 PolarHBondContact O-N 3.06Å; R266-Q295 VanDerWaalsContact O-N 3.11Å; R266-Q295 VanDerWaalsContact O-O 3.1Å |
| 267 | A | 83.4 | Confident | 74 | Confident | 41 Ų | 41 | 82.2 Ų | 82.2 | 34% | 0.339 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 135.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y293 V364 C367 | A267-Y293 CarbonylContact C-O 3.5Å; A267-V364 HydrophobicContact CB-CG1 4.41Å; A267-C367 WeakPolarHBondContact CA-SG 3.37Å; A267-C367 PolarHBondContact N-SG 2.98Å; A267-C367 VanDerWaalsContact N-SG 3.38Å |
| 268 | R | 87.1 | Confident | 75.7 | Confident | 72 Ų | 72 | 76.3 Ų | 76.3 | 27% | 0.272 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 144.4 | 174.5 | -61.1 | -57.8 | -173.9 | 156.2 | 10.5 | 109 | R266 N292 Y293 Q295 | R266-R268 VanDerWaalsContact CZ-NH1 3.3Å; R266-R268 VanDerWaalsContact NE-NH2 3.14Å; R266-R268 VanDerWaalsContact NH2-NH2 3.14Å; R268-N292 CarbonylContact O-C 3.58Å; R268-N292 WeakPolarHBondContact O-CA 3.41Å; R268-N292 VanDerWaalsContact O-CB 3.23Å; R268-N292 WeakPolarHBondContact O-CB 3.42Å; R268-Y293 HydrophobicContact CB-CD1 3.89Å; R268-Y293 HydrophobicContact CB-CE1 3.44Å; R268-Y293 VanDerWaalsContact CB-CE1 3.44Å; R268-Y293 HydrophobicContact CB-CE2 4.15Å; R268-Y293 HydrophobicContact CB-CG 4.42Å; R268-Y293 HydrophobicContact CG-CE1 4.44Å; R268-Y293 HydrophobicContact CG-CE2 4.37Å; R268-Y293 PolarHBondContact N-O 3.35Å; R268-Y293 PolarHBondContact O-N 2.98Å; R268-Q295 HydrophobicContact CG-CB 3.81Å |
| 269 | R | 88.8 | Confident | 78.1 | Confident | 219 Ų | 219 | 74.1 Ų | 74.1 | 83% | 0.826 | 41% | 0.414 | S | S | * | . | trans | -72.9 | 132.4 | -179 | -67.9 | -176.2 | 178.4 | -178.5 | -0.3 | 110.2 | N292 | R269-N292 WeakPolarHBondContact CA-OD1 3.49Š| ||
| 270 | L | 89.5 | Confident | 79.8 | Confident | 78 Ų | 78 | 73 Ų | 73 | 41% | 0.408 | 39% | 0.386 | S | S | . | . | trans | -141.2 | 119 | 170.8 | 172.9 | 67.3 | 0 | 0 | 0 | 107.3 | V272 L290 A291 N292 Y293 | L270-V272 HydrophobicContact CD2-CG2 4.44Å; L270-V272 HydrophobicContact CG-CG2 4.33Å; L270-L290 CarbonylContact O-C 3.45Å; L270-L290 WeakPolarHBondContact O-CA 3.07Å; L270-A291 PolarHBondContact O-N 3.25Å; L270-N292 PolarHBondContact O-N 2.56Å; L270-N292 VanDerWaalsContact O-N 3.16Å; L270-Y293 HydrophobicContact CB-CD1 3.71Å; L270-Y293 HydrophobicContact CB-CE1 4.21Å; L270-Y293 HydrophobicContact CD2-CD1 4.3Å | ||
| 271 | Y | 89 | Confident | 81.8 | Confident | 120 Ų | 120 | 77 Ų | 77 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127 | 172.2 | -175.8 | -101.1 | 0 | 0 | 0 | 108.9 | G288 F289 L290 | Y271-G288 VanDerWaalsContact OH-CA 3.31Å; Y271-G288 WeakPolarHBondContact OH-CA 3.48Å; Y271-F289 WeakPolarHBondContact CD2-O 3.48Å; Y271-L290 HydrophobicContact CD2-CD2 4.13Å; Y271-L290 HydrophobicContact CD2-CG 4.21Å |
| 272 | V | 88 | Confident | 83.6 | Confident | 31 Ų | 31 | 71.1 Ų | 71.1 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 112.7 | 175.7 | 177.8 | 0 | 0 | 0 | 0 | 108 | L270 V277 G288 F289 A291 | L270-V272 HydrophobicContact CD2-CG2 4.44Å; L270-V272 HydrophobicContact CG-CG2 4.33Å; V272-V277 HydrophobicContact CG1-CG2 4.06Å; V272-G288 CarbonylContact O-C 3.29Å; V272-G288 WeakPolarHBondContact O-CA 3.46Å; V272-F289 HydrophobicContact CB-CD1 4.45Å; V272-F289 HydrophobicContact CB-CE1 4.09Å; V272-F289 HydrophobicContact CG1-CE1 4.29Å; V272-F289 PolarHBondContact N-O 2.88Å; V272-F289 PolarHBondContact O-N 2.87Å; V272-A291 HydrophobicContact CG2-CB 3.7Å |
| 273 | S | 87.1 | Confident | 85.1 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 11% | 0.112 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 119.8 | 175.3 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | R275 E276 V277 | S273-R275 PolarHBondContact O-N 2.77Å; S273-R275 VanDerWaalsContact O-N 3.13Å; S273-R275 PolarHBondContact OG-N 3.23Å; S273-E276 VanDerWaalsContact CB-CD 3.44Å; S273-E276 WeakPolarHBondContact CB-OE1 3.26Å; S273-E276 PolarHBondContact O-N 3.26Å; S273-E276 VanDerWaalsContact O-N 3.09Å; S273-V277 WeakPolarHBondContact O-CG2 3.26Å; S273-V277 PolarHBondContact O-N 3.18Å |
| 274 | F | 88.1 | Confident | 86.1 | Confident | 7 Ų | 7 | 69.6 Ų | 69.6 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -14.4 | 174.6 | -66 | -28.5 | 0 | 0 | 0 | 112.7 | G278 W279 H280 V283 P286 R287 F289 | F274-G278 PolarHBondContact O-N 2.9Å; F274-W279 HydrophobicContact CB-CB 4.16Å; F274-W279 HydrophobicContact CD1-CE3 4.07Å; F274-W279 HydrophobicContact CE1-CE3 4.18Å; F274-W279 HydrophobicContact CE1-CZ3 4.41Å; F274-W279 CarbonylContact O-C 3.57Å; F274-W279 WeakPolarHBondContact O-CA 3.28Å; F274-W279 PolarHBondContact O-N 2.86Å; F274-H280 PolarHBondContact O-N 2.91Å; F274-V283 HydrophobicContact CD2-CB 4.21Å; F274-V283 HydrophobicContact CD2-CG1 3.62Å; F274-V283 HydrophobicContact CD2-CG2 4.4Å; F274-V283 HydrophobicContact CE2-CG1 3.89Å; F274-P286 WeakPolarHBondContact CD2-O 3.5Å; F274-P286 HydrophobicContact CE2-CG 3.96Å; F274-R287 WeakPolarHBondContact CB-O 3.43Å; F274-R287 PolarHBondContact N-O 3.1Å; F274-F289 AromaticContact CE1-CD1 3.94Å; F274-F289 HydrophobicContact CE1-CD1 3.94Å; F274-F289 AromaticContact CE1-CE1 3.75Å; F274-F289 HydrophobicContact CE1-CE1 3.75Å; F274-F289 AromaticContact CZ-CD1 3.79Å; F274-F289 HydrophobicContact CZ-CD1 3.79Å; F274-F289 AromaticContact CZ-CE1 3.92Å; F274-F289 HydrophobicContact CZ-CE1 3.92Å |
| 275 | R | 87.8 | Confident | 86.8 | Confident | 166 Ų | 166 | 67.1 Ų | 67.1 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -47.9 | 169.4 | -175 | -179.2 | -69.1 | -84.9 | 3.6 | 111.4 | S273 V277 G278 H280 | S273-R275 PolarHBondContact O-N 2.77Å; S273-R275 VanDerWaalsContact O-N 3.13Å; S273-R275 PolarHBondContact OG-N 3.23Å; R275-V277 VanDerWaalsContact C-N 3.32Å; R275-V277 PolarHBondContact O-N 2.83Å; R275-G278 WeakPolarHBondContact O-CA 3.42Å; R275-G278 PolarHBondContact O-N 2.98Å; R275-H280 HydrophobicContact CB-CB 4.23Å; R275-H280 PolarHBondContact O-ND1 3.04Å |
| 276 | E | 84.7 | Confident | 87.2 | Confident | 159 Ų | 159 | 67.1 Ų | 67.1 | 74% | 0.743 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -35.1 | -177.9 | -69.9 | 162.8 | -152.5 | 0 | 0 | 111.8 | S273 G278 | S273-E276 VanDerWaalsContact CB-CD 3.44Å; S273-E276 WeakPolarHBondContact CB-OE1 3.26Å; S273-E276 PolarHBondContact O-N 3.26Å; S273-E276 VanDerWaalsContact O-N 3.09Å; E276-G278 PolarHBondContact O-N 2.93Å |
| 277 | V | 81.8 | Confident | 87.4 | Confident | 55 Ų | 55 | 69.7 Ų | 69.7 | 33% | 0.333 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.5 | 174 | -168.2 | 0 | 0 | 0 | 0 | 112.2 | V272 S273 R275 W279 | V272-V277 HydrophobicContact CG1-CG2 4.06Å; S273-V277 WeakPolarHBondContact O-CG2 3.26Å; S273-V277 PolarHBondContact O-N 3.18Å; R275-V277 VanDerWaalsContact C-N 3.32Å; R275-V277 PolarHBondContact O-N 2.83Å; V277-W279 HydrophobicContact CB-CG 4.44Å; V277-W279 HydrophobicContact CG1-CD2 4.11Å; V277-W279 HydrophobicContact CG1-CG 4.21Å; V277-W279 HydrophobicContact CG1-CZ2 4.31Å; V277-W279 VanDerWaalsContact O-CD1 3.28Å |
| 278 | G | 83.3 | Confident | 87.6 | Confident | 34 Ų | 34 | 68 Ų | 68 | 35% | 0.351 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 8.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F274 R275 E276 | F274-G278 PolarHBondContact O-N 2.9Å; R275-G278 WeakPolarHBondContact O-CA 3.42Å; R275-G278 PolarHBondContact O-N 2.98Å; E276-G278 PolarHBondContact O-N 2.93Å |
| 279 | W | 86.8 | Confident | 87.7 | Confident | 11 Ų | 11 | 65 Ų | 65 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -90.5 | -13.1 | -174.7 | -66.5 | 7.9 | 0 | 0 | 0 | 114.8 | L39 L40 L43 F274 V277 R281 W282 V283 | L39-W279 HydrophobicContact CB-CH2 4.19Å; L39-W279 HydrophobicContact CB-CZ2 4.27Å; L39-W279 HydrophobicContact CD2-CH2 3.37Å; L39-W279 HydrophobicContact CD2-CZ2 3.74Å; L39-W279 HydrophobicContact CD2-CZ3 4.02Å; L39-W279 HydrophobicContact CG-CH2 3.53Å; L39-W279 HydrophobicContact CG-CZ2 4.05Å; L39-W279 HydrophobicContact CG-CZ3 4.43Å; L40-W279 HydrophobicContact CD2-CH2 4Å; L40-W279 HydrophobicContact CD2-CZ2 3.44Å; L40-W279 VanDerWaalsContact CD2-CZ2 3.44Å; L40-W279 HydrophobicContact CG-CH2 4.48Å; L40-W279 HydrophobicContact CG-CZ2 3.72Å; L43-W279 HydrophobicContact CD1-CE3 4.42Å; L43-W279 HydrophobicContact CD1-CH2 3.25Å; L43-W279 HydrophobicContact CD1-CZ3 3.18Å; L43-W279 HydrophobicContact CG-CH2 4.35Å; F274-W279 HydrophobicContact CB-CB 4.16Å; F274-W279 HydrophobicContact CD1-CE3 4.07Å; F274-W279 HydrophobicContact CE1-CE3 4.18Å; F274-W279 HydrophobicContact CE1-CZ3 4.41Å; F274-W279 CarbonylContact O-C 3.57Å; F274-W279 WeakPolarHBondContact O-CA 3.28Å; F274-W279 PolarHBondContact O-N 2.86Å; V277-W279 HydrophobicContact CB-CG 4.44Å; V277-W279 HydrophobicContact CG1-CD2 4.11Å; V277-W279 HydrophobicContact CG1-CG 4.21Å; V277-W279 HydrophobicContact CG1-CZ2 4.31Å; V277-W279 VanDerWaalsContact O-CD1 3.28Å; W279-R281 PolarHBondContact O-N 2.97Å; W279-W282 HydrophobicContact CB-CZ2 3.69Å; W279-W282 AromaticContact CD1-CZ2 3.94Å; W279-W282 HydrophobicContact CD2-CH2 4.02Å; W279-W282 AromaticContact CD2-CZ2 3.41Å; W279-W282 HydrophobicContact CD2-CZ2 3.41Å; W279-W282 VanDerWaalsContact CD2-CZ2 3.41Å; W279-W282 AromaticContact CE2-CZ2 3.95Å; W279-W282 AromaticContact CE3-CH2 3.81Å; W279-W282 HydrophobicContact CE3-CH2 3.81Å; W279-W282 AromaticContact CE3-CZ2 3.71Å; W279-W282 HydrophobicContact CE3-CZ2 3.71Å; W279-W282 AromaticContact CG-CE2 3.89Å; W279-W282 HydrophobicContact CG-CH2 4.37Å; W279-W282 AromaticContact CG-CZ2 3.42Å; W279-W282 HydrophobicContact CG-CZ2 3.42Å; W279-W282 VanDerWaalsContact CG-CZ2 3.42Å; W279-W282 HydrophobicContact CZ3-CH2 4.25Å; W279-W282 HydrophobicContact CZ3-CZ2 4.42Å; W279-W282 PolarHBondContact O-N 3.34Å; W279-V283 HydrophobicContact CB-CG2 4.04Å; W279-V283 PolarHBondContact O-N 2.95Å |
| 280 | H | 83.3 | Confident | 87.7 | Confident | 60 Ų | 60 | 57.4 Ų | 57.4 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -52.6 | -16.6 | 174.6 | 67.1 | -79.3 | 0 | 0 | 0 | 114.7 | F274 R275 | F274-H280 PolarHBondContact O-N 2.91Å; R275-H280 HydrophobicContact CB-CB 4.23Å; R275-H280 PolarHBondContact O-ND1 3.04Å |
| 281 | R | 85.9 | Confident | 87.6 | Confident | 171 Ų | 171 | 54.2 Ų | 54.2 | 65% | 0.645 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -69.3 | -34.6 | 177.1 | -65.7 | -174.1 | 179 | 179.5 | 1.8 | 112.2 | G51 A52 W279 | G51-R281 CarbonylContact C-O 3.52Å; A52-R281 WeakPolarHBondContact CA-O 3.26Å; A52-R281 WeakPolarHBondContact CB-O 2.84Å; A52-R281 PolarHBondContact N-O 2.98Å; W279-R281 PolarHBondContact O-N 2.97Å |
| 282 | W | 86.9 | Confident | 87.7 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -24.5 | -174 | 54 | -95.5 | 0 | 0 | 0 | 113.1 | L40 L45 P49 W279 I284 F347 F348 | L40-W282 HydrophobicContact CD2-CZ2 4.16Å; L45-W282 HydrophobicContact CD1-CH2 3.49Å; L45-W282 VanDerWaalsContact CD1-CH2 3.49Å; L45-W282 HydrophobicContact CD1-CZ2 4.34Å; L45-W282 HydrophobicContact CD1-CZ3 3.76Å; P49-W282 HydrophobicContact CB-CB 3.78Å; P49-W282 HydrophobicContact CB-CD2 4.27Å; P49-W282 HydrophobicContact CB-CG 3.9Å; P49-W282 HydrophobicContact CG-CB 4.27Å; P49-W282 HydrophobicContact CG-CD2 3.85Å; P49-W282 HydrophobicContact CG-CE3 3.8Å; P49-W282 HydrophobicContact CG-CG 4.02Å; P49-W282 HydrophobicContact CG-CZ3 4.45Å; W279-W282 HydrophobicContact CB-CZ2 3.69Å; W279-W282 AromaticContact CD1-CZ2 3.94Å; W279-W282 HydrophobicContact CD2-CH2 4.02Å; W279-W282 AromaticContact CD2-CZ2 3.41Å; W279-W282 HydrophobicContact CD2-CZ2 3.41Å; W279-W282 VanDerWaalsContact CD2-CZ2 3.41Å; W279-W282 AromaticContact CE2-CZ2 3.95Å; W279-W282 AromaticContact CE3-CH2 3.81Å; W279-W282 HydrophobicContact CE3-CH2 3.81Å; W279-W282 AromaticContact CE3-CZ2 3.71Å; W279-W282 HydrophobicContact CE3-CZ2 3.71Å; W279-W282 AromaticContact CG-CE2 3.89Å; W279-W282 HydrophobicContact CG-CH2 4.37Å; W279-W282 AromaticContact CG-CZ2 3.42Å; W279-W282 HydrophobicContact CG-CZ2 3.42Å; W279-W282 VanDerWaalsContact CG-CZ2 3.42Å; W279-W282 HydrophobicContact CZ3-CH2 4.25Å; W279-W282 HydrophobicContact CZ3-CZ2 4.42Å; W279-W282 PolarHBondContact O-N 3.34Å; W282-I284 PolarHBondContact O-N 2.98Å; W282-F347 HydrophobicContact CE3-CB 3.71Å; W282-F347 AromaticContact CE3-CD2 3.81Å; W282-F347 HydrophobicContact CE3-CD2 3.81Å; W282-F347 AromaticContact CE3-CG 4Å; W282-F347 HydrophobicContact CE3-CG 4Å; W282-F347 HydrophobicContact CZ3-CB 3.91Å; W282-F347 AromaticContact CZ3-CD2 3.83Å; W282-F347 HydrophobicContact CZ3-CD2 3.83Å; W282-F347 AromaticContact CZ3-CG 3.88Å; W282-F347 HydrophobicContact CZ3-CG 3.88Å; W282-F347 WeakPolarHBondContact O-CA 3.37Å; W282-F347 WeakPolarHBondContact O-CB 3.33Å; W282-F348 PolarHBondContact O-N 2.84Å |
| 283 | V | 90 | Very high | 87.8 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.9 | 169.9 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | F274 W279 V345 F347 | F274-V283 HydrophobicContact CD2-CB 4.21Å; F274-V283 HydrophobicContact CD2-CG1 3.62Å; F274-V283 HydrophobicContact CD2-CG2 4.4Å; F274-V283 HydrophobicContact CE2-CG1 3.89Å; W279-V283 HydrophobicContact CB-CG2 4.04Å; W279-V283 PolarHBondContact O-N 2.95Å; V283-V345 HydrophobicContact CG1-CG1 3.81Å; V283-V345 HydrophobicContact CG2-CG1 4.33Å; V283-F347 HydrophobicContact CG2-CB 4.38Å |
| 284 | I | 91.6 | Very high | 87.8 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 11% | 0.108 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -51.8 | 176.5 | -59.7 | 153.9 | 0 | 0 | 0 | 109.3 | V58 W63 W282 L346 F348 V354 | V58-I284 HydrophobicContact CG2-CD1 3.56Å; V58-I284 HydrophobicContact CG2-CG1 4.19Å; V58-I284 HydrophobicContact CG2-CG2 4.1Å; W63-I284 HydrophobicContact CH2-CG2 3.72Å; W63-I284 HydrophobicContact CZ2-CG2 3.58Å; W282-I284 PolarHBondContact O-N 2.98Å; I284-L346 WeakPolarHBondContact CA-O 3.39Å; I284-L346 HydrophobicContact CB-CB 4.49Å; I284-L346 HydrophobicContact CB-CD2 4.34Å; I284-L346 HydrophobicContact CB-CG 4.15Å; I284-L346 VanDerWaalsContact CB-O 3.31Å; I284-L346 WeakPolarHBondContact CB-O 3.26Å; I284-L346 HydrophobicContact CD1-CD2 4.5Å; I284-L346 HydrophobicContact CD1-CG 3.95Å; I284-L346 HydrophobicContact CG2-CD2 4.04Å; I284-L346 HydrophobicContact CG2-CG 4.39Å; I284-L346 PolarHBondContact N-O 2.98Å; I284-F348 HydrophobicContact CD1-CD2 3.76Å; I284-F348 HydrophobicContact CD1-CE2 3.57Å; I284-F348 HydrophobicContact CD1-CG 4.35Å; I284-F348 HydrophobicContact CD1-CZ 4Å; I284-F348 HydrophobicContact CG1-CD2 3.78Å; I284-F348 HydrophobicContact CG1-CE2 3.59Å; I284-F348 HydrophobicContact CG1-CZ 4.44Å; I284-V354 HydrophobicContact CD1-CG1 4.18Å |
| 285 | A | 91.6 | Very high | 87.8 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 152.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W63 F66 L346 | W63-A285 HydrophobicContact CH2-CB 3.99Å; W63-A285 HydrophobicContact CZ3-CB 3.9Å; F66-A285 HydrophobicContact CD1-CB 4.31Å; F66-A285 HydrophobicContact CE1-CB 3.72Å; F66-A285 HydrophobicContact CE2-CB 4.04Å; F66-A285 HydrophobicContact CZ-CB 3.57Å; A285-L346 HydrophobicContact CB-CB 4.39Å; A285-L346 PolarHBondContact N-O 3.49Å; A285-L346 VanDerWaalsContact N-O 3.09Å; A285-L346 PolarHBondContact O-N 2.02Å |
| 286 | P | 92.2 | Very high | 87.6 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | cis | -68.9 | 175.9 | -9.2 | 32 | -36.7 | 0 | 0 | 0 | 111.3 | F66 F274 G288 S344 | F66-P286 HydrophobicContact CZ-CB 4.42Å; F274-P286 WeakPolarHBondContact CD2-O 3.5Å; F274-P286 HydrophobicContact CE2-CG 3.96Å; P286-G288 VanDerWaalsContact C-N 3.28Å; P286-S344 WeakPolarHBondContact CD-O 3.5Å | ||
| 287 | R | 89.1 | Confident | 87.4 | Confident | 162 Ų | 162 | 49.6 Ų | 49.6 | 61% | 0.611 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -79.5 | -16.6 | 173.1 | -65.1 | -58.3 | -172.1 | -175.7 | -0.2 | 113.2 | F274 | F274-R287 WeakPolarHBondContact CB-O 3.43Å; F274-R287 PolarHBondContact N-O 3.1Å |
| 288 | G | 87.9 | Confident | 87.2 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.7 | 169.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y271 V272 P286 | Y271-G288 VanDerWaalsContact OH-CA 3.31Å; Y271-G288 WeakPolarHBondContact OH-CA 3.48Å; V272-G288 CarbonylContact O-C 3.29Å; V272-G288 WeakPolarHBondContact O-CA 3.46Å; P286-G288 VanDerWaalsContact C-N 3.28Å |
| 289 | F | 89 | Confident | 86.4 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 161.2 | -175.5 | 71.1 | -77.1 | 0 | 0 | 0 | 111 | Y271 V272 F274 A291 I343 M362 V363 | Y271-F289 WeakPolarHBondContact CD2-O 3.48Å; V272-F289 HydrophobicContact CB-CD1 4.45Å; V272-F289 HydrophobicContact CB-CE1 4.09Å; V272-F289 HydrophobicContact CG1-CE1 4.29Å; V272-F289 PolarHBondContact N-O 2.88Å; V272-F289 PolarHBondContact O-N 2.87Å; F274-F289 AromaticContact CE1-CD1 3.94Å; F274-F289 HydrophobicContact CE1-CD1 3.94Å; F274-F289 AromaticContact CE1-CE1 3.75Å; F274-F289 HydrophobicContact CE1-CE1 3.75Å; F274-F289 AromaticContact CZ-CD1 3.79Å; F274-F289 HydrophobicContact CZ-CD1 3.79Å; F274-F289 AromaticContact CZ-CE1 3.92Å; F274-F289 HydrophobicContact CZ-CE1 3.92Å; F289-A291 HydrophobicContact CD2-CB 4.22Å; F289-A291 HydrophobicContact CE2-CB 3.52Å; F289-A291 HydrophobicContact CZ-CB 3.89Å; F289-A291 PolarHBondContact O-N 3.39Å; F289-I343 HydrophobicContact CD1-CD1 3.93Å; F289-I343 HydrophobicContact CD2-CD1 4.22Å; F289-I343 HydrophobicContact CD2-CG2 3.91Å; F289-I343 HydrophobicContact CE1-CD1 3.83Å; F289-I343 HydrophobicContact CE2-CD1 4.1Å; F289-I343 HydrophobicContact CE2-CG2 4.3Å; F289-I343 HydrophobicContact CG-CD1 4.14Å; F289-I343 HydrophobicContact CG-CG2 4.37Å; F289-I343 HydrophobicContact CZ-CD1 3.93Å; F289-M362 HydrophobicContact CE1-CE 4.4Å; F289-M362 HydrophobicContact CE2-CB 4.36Å; F289-M362 WeakPolarHBondContact CE2-O 3.45Å; F289-M362 HydrophobicContact CZ-CE 3.79Å; F289-V363 HydrophobicContact CD2-CG2 3.7Å; F289-V363 HydrophobicContact CE2-CG2 3.92Å |
| 290 | L | 87.6 | Confident | 85 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 90.3 | 174.3 | -75.2 | 167.9 | 0 | 0 | 0 | 110 | L270 Y271 N292 V363 | L270-L290 CarbonylContact O-C 3.45Å; L270-L290 WeakPolarHBondContact O-CA 3.07Å; Y271-L290 HydrophobicContact CD2-CD2 4.13Å; Y271-L290 HydrophobicContact CD2-CG 4.21Å; L290-N292 VanDerWaalsContact C-N 3.33Å; L290-V363 WeakPolarHBondContact O-CG1 3.38Å |
| 291 | A | 88.9 | Confident | 83.6 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 10% | 0.099 | 27% | 0.268 | C | S | . | . | trans | -66.9 | -36.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L270 V272 F289 V363 V364 | L270-A291 PolarHBondContact O-N 3.25Å; V272-A291 HydrophobicContact CG2-CB 3.7Å; F289-A291 HydrophobicContact CD2-CB 4.22Å; F289-A291 HydrophobicContact CE2-CB 3.52Å; F289-A291 HydrophobicContact CZ-CB 3.89Å; F289-A291 PolarHBondContact O-N 3.39Å; A291-V363 WeakPolarHBondContact O-CA 3.35Å; A291-V364 PolarHBondContact O-N 2.85Å | ||
| 292 | N | 90.7 | Very high | 81.6 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | trans | 57.1 | 168.7 | -170.3 | -52.3 | -36.8 | 0 | 0 | 0 | 112.7 | R268 R269 L270 L290 V364 | R268-N292 CarbonylContact O-C 3.58Å; R268-N292 WeakPolarHBondContact O-CA 3.41Å; R268-N292 VanDerWaalsContact O-CB 3.23Å; R268-N292 WeakPolarHBondContact O-CB 3.42Å; R269-N292 WeakPolarHBondContact CA-OD1 3.49Å; L270-N292 PolarHBondContact O-N 2.56Å; L270-N292 VanDerWaalsContact O-N 3.16Å; L290-N292 VanDerWaalsContact C-N 3.33Å; N292-V364 HydrophobicContact CB-CB 4Å; N292-V364 WeakPolarHBondContact CB-O 3.49Å; N292-V364 PolarHBondContact ND2-O 3.42Å | ||
| 293 | Y | 90.5 | Very high | 79.3 | Confident | 94 Ų | 94 | 55.2 Ų | 55.2 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 159.5 | 174.5 | 69.8 | -75.3 | 0 | 0 | 0 | 110.9 | A267 R268 L270 Q295 | A267-Y293 CarbonylContact C-O 3.5Å; R268-Y293 HydrophobicContact CB-CD1 3.89Å; R268-Y293 HydrophobicContact CB-CE1 3.44Å; R268-Y293 VanDerWaalsContact CB-CE1 3.44Å; R268-Y293 HydrophobicContact CB-CE2 4.15Å; R268-Y293 HydrophobicContact CB-CG 4.42Å; R268-Y293 HydrophobicContact CG-CE1 4.44Å; R268-Y293 HydrophobicContact CG-CE2 4.37Å; R268-Y293 PolarHBondContact N-O 3.35Å; R268-Y293 PolarHBondContact O-N 2.98Å; L270-Y293 HydrophobicContact CB-CD1 3.71Å; L270-Y293 HydrophobicContact CB-CE1 4.21Å; L270-Y293 HydrophobicContact CD2-CD1 4.3Å; Y293-Q295 HydrophobicContact CD2-CB 4.17Å; Y293-Q295 HydrophobicContact CE2-CB 3.71Å; Y293-Q295 HydrophobicContact CE2-CG 4.28Å; Y293-Q295 VanDerWaalsContact CE2-OE1 3.26Å; Y293-Q295 PolarHBondContact OH-OE1 2.67Å |
| 294 | C | 87.1 | Confident | 77.1 | Confident | 25 Ų | 25 | 62.6 Ų | 62.6 | 17% | 0.169 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.3 | 178.2 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | P337 C367 | C294-P337 VanDerWaalsContact SG-CA 3.54Å; C294-C367 WeakPolarHBondContact CA-SG 3.37Å; C294-C367 HydrophobicContact CB-CB 3.8Å; C294-C367 WeakPolarHBondContact CB-SG 3.23Å; C294-C367 WeakPolarHBondContact SG-CB 3.39Å; C294-C367 CovalentContact SG-SG 2.03Å; C294-C367 PolarHBondContact SG-SG 2.97Å |
| 295 | Q | 87.9 | Confident | 74.7 | Confident | 95 Ų | 95 | 67 Ų | 67 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 137.9 | 175.8 | -168.5 | -179.8 | 7.6 | 0 | 0 | 111.2 | R266 R268 Y293 | R266-Q295 PolarHBondContact N-O 2.77Å; R266-Q295 PolarHBondContact O-N 3.06Å; R266-Q295 VanDerWaalsContact O-N 3.11Å; R266-Q295 VanDerWaalsContact O-O 3.1Å; R268-Q295 HydrophobicContact CG-CB 3.81Å; Y293-Q295 HydrophobicContact CD2-CB 4.17Å; Y293-Q295 HydrophobicContact CE2-CB 3.71Å; Y293-Q295 HydrophobicContact CE2-CG 4.28Å; Y293-Q295 VanDerWaalsContact CE2-OE1 3.26Å; Y293-Q295 PolarHBondContact OH-OE1 2.67Å |
| 296 | G | 83.7 | Confident | 72.1 | Confident | 21 Ų | 21 | 69.2 Ų | 69.2 | 22% | 0.216 | 40% | 0.399 | C | S | . | . | S | Bend | trans | 143.4 | 174.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G263 C335 | G263-G296 WeakPolarHBondContact O-CA 3.14Å; G296-C335 WeakPolarHBondContact O-CB 3.45Å |
| 297 | Q | 79.4 | Confident | 69.7 | Low | 133 Ų | 133 | 74.7 Ų | 74.7 | 62% | 0.621 | 44% | 0.438 | S | S | * | . | B | Isolated β-bridge | trans | -94 | 145 | -179.7 | -67.5 | 176.2 | -8.3 | 0 | 0 | 111 | G263 C265 | G263-Q297 PolarHBondContact O-N 3.11Å; C265-Q297 PolarHBondContact N-O 3.12Å |
| 298 | C | 76.9 | Confident | 67.6 | Low | 11 Ų | 11 | 69 Ų | 69 | 7% | 0.074 | 43% | 0.429 | C | S | . | . | trans | -109.4 | 94.3 | 172.7 | -69.4 | 0 | 0 | 0 | 0 | 108.5 | P333 C369 | C298-P333 HydrophobicContact CB-CB 4.28Å; C298-P333 HydrophobicContact CB-CG 3.85Å; C298-P333 VanDerWaalsContact CB-O 3.27Å; C298-P333 WeakPolarHBondContact CB-O 3.48Å; C298-C369 HydrophobicContact CB-CB 3.62Å; C298-C369 WeakPolarHBondContact CB-SG 3.3Å; C298-C369 VanDerWaalsContact SG-CA 3.51Å; C298-C369 WeakPolarHBondContact SG-CB 3.12Å; C298-C369 CovalentContact SG-SG 2.03Å; C298-C369 PolarHBondContact SG-SG 3.08Å | ||
| 299 | A | 67.8 | Low | 65.5 | Low | 79 Ų | 79 | 71.2 Ų | 71.2 | 65% | 0.653 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -95.6 | 156.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 300 | L | 57 | Low | 63.5 | Low | 63 Ų | 63 | 74.8 Ų | 74.8 | 33% | 0.33 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 127.7 | 167.5 | -165 | 79.2 | 0 | 0 | 0 | 108.5 | V302 A320 L321 A324 | L300-V302 PolarHBondContact O-N 3.49Å; L300-V302 VanDerWaalsContact O-N 3.1Å; L300-A320 HydrophobicContact CB-CB 4.28Å; L300-A320 HydrophobicContact CD1-CB 3.45Å; L300-A320 VanDerWaalsContact CD1-CB 3.45Å; L300-L321 HydrophobicContact CD1-CB 4.4Å; L300-A324 HydrophobicContact CD2-CB 4.45Å |
| 301 | P | 53.6 | Low | 61.6 | Low | 66 Ų | 66 | 76.2 Ų | 76.2 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 116.5 | 173.6 | -13.1 | 25.9 | 0 | 0 | 0 | 108.4 | T303 | P301-T303 PolarHBondContact O-N 2.91Å; P301-T303 VanDerWaalsContact O-N 3.1Å |
| 302 | V | 44.4 | Very low | 60 | Low | 147 Ų | 147 | 77.6 Ų | 77.6 | 89% | 0.891 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -62.3 | -16.8 | 176.6 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | L300 | L300-V302 PolarHBondContact O-N 3.49Å; L300-V302 VanDerWaalsContact O-N 3.1Å |
| 303 | T | 39.1 | Very low | 58.5 | Low | 89 Ų | 89 | 78.8 Ų | 78.8 | 55% | 0.546 | 51% | 0.506 | S | S | . | . | trans | -129.8 | 111.6 | 174.7 | 60.6 | 0 | 0 | 0 | 0 | 110.5 | P301 S305 | P301-T303 PolarHBondContact O-N 2.91Å; P301-T303 VanDerWaalsContact O-N 3.1Å; T303-S305 PolarHBondContact O-N 3.41Å | ||
| 304 | L | 44 | Very low | 57.3 | Low | 159 Ų | 159 | 81.3 Ų | 81.3 | 83% | 0.832 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 30.6 | 162.8 | -63.1 | 163.5 | 0 | 0 | 0 | 112.1 | ||
| 305 | S | 40 | Very low | 56.5 | Low | 115 Ų | 115 | 85.6 Ų | 85.6 | 80% | 0.804 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.7 | 5.8 | -171.2 | -53.4 | 0 | 0 | 0 | 0 | 114.8 | T303 | T303-S305 PolarHBondContact O-N 3.41Š|
| 306 | G | 38.4 | Very low | 55.4 | Low | 54 Ų | 54 | 81.2 Ų | 81.2 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | trans | -95.1 | 111.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | G308 | G306-G308 PolarHBondContact O-N 2.99Š| ||
| 307 | S | 40.3 | Very low | 54.7 | Low | 136 Ų | 136 | 82.4 Ų | 82.4 | 95% | 0.951 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 21.8 | -173.8 | 55.8 | 0 | 0 | 0 | 0 | 116.7 | ||
| 308 | G | 45.2 | Very low | 54.3 | Low | 41 Ų | 41 | 80.6 Ų | 80.6 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 3.3 | -164.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | V256 G306 | V256-G308 WeakPolarHBondContact CG2-O 3.37Å; G306-G308 PolarHBondContact O-N 2.99Å |
| 309 | G | 44.6 | Very low | 54 | Low | 55 Ų | 55 | 84.5 Ų | 84.5 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -98.4 | 152.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 310 | P | 46.3 | Very low | 54 | Low | 83 Ų | 83 | 81 Ų | 81 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | trans | -56.6 | 134.6 | 166.7 | 24.9 | -31.4 | 0 | 0 | 0 | 108.1 | A312 | P310-A312 PolarHBondContact O-N 3.41Š| ||
| 311 | P | 48.4 | Very low | 54.7 | Low | 89 Ų | 89 | 82 Ų | 82 | 58% | 0.578 | 51% | 0.51 | S | S | * | . | trans | -59.9 | 111.2 | -175.9 | 23 | -32.1 | 0 | 0 | 0 | 108.6 | L313 | P311-L313 PolarHBondContact O-N 2.66Š| ||
| 312 | A | 55.1 | Low | 55.5 | Low | 40 Ų | 40 | 82.8 Ų | 82.8 | 33% | 0.331 | 51% | 0.509 | S | S | . | . | trans | -57.4 | 130.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | P310 N314 V317 | P310-A312 PolarHBondContact O-N 3.41Å; A312-N314 PolarHBondContact O-N 3.1Å; A312-V317 HydrophobicContact CB-CG2 3.41Å; A312-V317 VanDerWaalsContact CB-CG2 3.41Å | ||
| 313 | L | 59.7 | Low | 56.7 | Low | 59 Ų | 59 | 78.5 Ų | 78.5 | 31% | 0.309 | 48% | 0.479 | S | S | . | . | trans | -59.1 | 141.7 | 173.5 | -71.8 | 95.2 | 0 | 0 | 0 | 107.9 | P311 H315 A316 V317 R370 | P311-L313 PolarHBondContact O-N 2.66Å; L313-H315 CarbonylContact O-C 3.59Å; L313-H315 PolarHBondContact O-N 2.74Å; L313-A316 WeakPolarHBondContact O-CA 3.46Å; L313-A316 WeakPolarHBondContact O-CB 3.44Å; L313-A316 PolarHBondContact O-N 3.11Å; L313-V317 PolarHBondContact O-N 3.11Å; L313-V317 VanDerWaalsContact O-N 3.09Å; L313-R370 HydrophobicContact CD1-CG 4.26Å | ||
| 314 | N | 65.3 | Low | 58.2 | Low | 148 Ų | 148 | 77.3 Ų | 77.3 | 79% | 0.791 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -49.1 | -34.6 | -179.2 | -62.6 | -9.3 | 0 | 0 | 0 | 112.3 | A312 L318 | A312-N314 PolarHBondContact O-N 3.1Å; N314-L318 WeakPolarHBondContact O-CB 3.13Å; N314-L318 PolarHBondContact O-N 2.91Å |
| 315 | H | 68.8 | Low | 59.5 | Low | 114 Ų | 114 | 74.4 Ų | 74.4 | 53% | 0.528 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 174.5 | -169 | -86.5 | 0 | 0 | 0 | 113.9 | L313 L318 R319 | L313-H315 CarbonylContact O-C 3.59Å; L313-H315 PolarHBondContact O-N 2.74Å; H315-L318 PolarHBondContact O-N 2.87Å; H315-R319 WeakPolarHBondContact O-CB 3.09Å; H315-R319 PolarHBondContact O-N 3.18Å |
| 316 | A | 65.8 | Low | 60.9 | Low | 3 Ų | 3 | 71 Ų | 71 | 3% | 0.025 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L313 A320 P333 C369 | L313-A316 WeakPolarHBondContact O-CA 3.46Å; L313-A316 WeakPolarHBondContact O-CB 3.44Å; L313-A316 PolarHBondContact O-N 3.11Å; A316-A320 WeakPolarHBondContact O-CB 3.48Å; A316-A320 PolarHBondContact O-N 3.27Å; A316-P333 HydrophobicContact CB-CB 4.39Å; A316-C369 WeakPolarHBondContact CB-O 3.37Å |
| 317 | V | 68.2 | Low | 62 | Low | 46 Ų | 46 | 73.5 Ų | 73.5 | 28% | 0.279 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 172.9 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | A312 L313 R319 A320 L321 | A312-V317 HydrophobicContact CB-CG2 3.41Å; A312-V317 VanDerWaalsContact CB-CG2 3.41Å; L313-V317 PolarHBondContact O-N 3.11Å; L313-V317 VanDerWaalsContact O-N 3.09Å; V317-R319 PolarHBondContact O-N 3.35Å; V317-A320 PolarHBondContact O-N 2.82Å; V317-L321 WeakPolarHBondContact O-CB 2.94Å; V317-L321 PolarHBondContact O-N 3.18Å |
| 318 | L | 70.9 | Confident | 63 | Low | 96 Ų | 96 | 70.7 Ų | 70.7 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 177.8 | -178.4 | 64.4 | 0 | 0 | 0 | 111.8 | N314 H315 L321 M322 | N314-L318 WeakPolarHBondContact O-CB 3.13Å; N314-L318 PolarHBondContact O-N 2.91Å; H315-L318 PolarHBondContact O-N 2.87Å; L318-L321 PolarHBondContact O-N 3.38Å; L318-M322 HydrophobicContact CD1-CG 4.4Å; L318-M322 HydrophobicContact CG-CG 4.48Å; L318-M322 WeakPolarHBondContact O-CB 3.37Å; L318-M322 VanDerWaalsContact O-CG 3.28Å; L318-M322 WeakPolarHBondContact O-CG 3.41Å; L318-M322 PolarHBondContact O-N 2.79Å |
| 319 | R | 70.6 | Confident | 63.7 | Low | 93 Ų | 93 | 72 Ų | 72 | 35% | 0.351 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 179.1 | -160 | -171.6 | -141.6 | 130.6 | 7.2 | 111.8 | H315 V317 L321 M322 H323 A330 D331 R370 | H315-R319 WeakPolarHBondContact O-CB 3.09Å; H315-R319 PolarHBondContact O-N 3.18Å; V317-R319 PolarHBondContact O-N 3.35Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 3.16Å; R319-M322 PolarHBondContact O-N 2.94Å; R319-H323 WeakPolarHBondContact O-CB 2.93Å; R319-H323 PolarHBondContact O-N 3.24Å; R319-A330 HydrophobicContact CG-CB 4.02Å; R319-D331 WeakPolarHBondContact CD-O 3.44Å; R319-D331 VanDerWaalsContact CG-O 3.24Å; R319-D331 WeakPolarHBondContact CG-O 3.46Å; R319-R370 PolarHBondContact NH1-OXT 3.45Å |
| 320 | A | 69.3 | Low | 64.6 | Low | 5 Ų | 5 | 70.4 Ų | 70.4 | 4% | 0.041 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L300 A316 V317 H323 A324 P333 | L300-A320 HydrophobicContact CB-CB 4.28Å; L300-A320 HydrophobicContact CD1-CB 3.45Å; L300-A320 VanDerWaalsContact CD1-CB 3.45Å; A316-A320 WeakPolarHBondContact O-CB 3.48Å; A316-A320 PolarHBondContact O-N 3.27Å; V317-A320 PolarHBondContact O-N 2.82Å; A320-H323 PolarHBondContact O-N 3.26Å; A320-A324 WeakPolarHBondContact O-CB 3.36Å; A320-A324 PolarHBondContact O-N 3.15Å; A320-P333 HydrophobicContact CB-CG 4.28Å |
| 321 | L | 69.8 | Low | 65.7 | Low | 85 Ų | 85 | 72.5 Ų | 72.5 | 45% | 0.445 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 175.4 | -177.5 | 66.6 | 0 | 0 | 0 | 111.2 | L300 V317 L318 R319 H323 A324 T325 | L300-L321 HydrophobicContact CD1-CB 4.4Å; V317-L321 WeakPolarHBondContact O-CB 2.94Å; V317-L321 PolarHBondContact O-N 3.18Å; L318-L321 PolarHBondContact O-N 3.38Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 3.16Å; L321-H323 VanDerWaalsContact C-N 3.34Å; L321-H323 PolarHBondContact O-N 2.97Å; L321-A324 WeakPolarHBondContact O-CB 3.37Å; L321-A324 PolarHBondContact O-N 3.4Å; L321-A324 VanDerWaalsContact O-N 3.1Å; L321-T325 HydrophobicContact CD1-CG2 4.37Å; L321-T325 WeakPolarHBondContact O-CG2 3.42Å; L321-T325 PolarHBondContact O-N 2.96Å; L321-T325 PolarHBondContact O-OG1 2.03Å; L321-T325 VanDerWaalsContact O-OG1 3.1Å |
| 322 | M | 71.8 | Confident | 66.8 | Low | 81 Ų | 81 | 72.2 Ų | 72.2 | 40% | 0.399 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.5 | -73.1 | -61.5 | -60.7 | 0 | 0 | 112.2 | L318 R319 A324 T325 A326 A329 A330 | L318-M322 HydrophobicContact CD1-CG 4.4Å; L318-M322 HydrophobicContact CG-CG 4.48Å; L318-M322 WeakPolarHBondContact O-CB 3.37Å; L318-M322 VanDerWaalsContact O-CG 3.28Å; L318-M322 WeakPolarHBondContact O-CG 3.41Å; L318-M322 PolarHBondContact O-N 2.79Å; R319-M322 PolarHBondContact O-N 2.94Å; M322-A324 VanDerWaalsContact C-N 3.31Å; M322-A324 PolarHBondContact O-N 3.4Å; M322-T325 PolarHBondContact O-N 3.27Å; M322-T325 PolarHBondContact O-OG1 3.27Å; M322-A326 CarbonylContact O-C 3.57Å; M322-A326 PolarHBondContact O-N 3.04Å; M322-A329 HydrophobicContact CE-CB 4.48Å; M322-A330 HydrophobicContact CB-CB 3.95Å |
| 323 | H | 69.2 | Low | 67.7 | Low | 58 Ų | 58 | 70.9 Ų | 70.9 | 27% | 0.269 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 173.5 | -174.8 | -64.5 | 0 | 0 | 0 | 111.6 | R319 A320 L321 A330 L332 | R319-H323 WeakPolarHBondContact O-CB 2.93Å; R319-H323 PolarHBondContact O-N 3.24Å; A320-H323 PolarHBondContact O-N 3.26Å; L321-H323 VanDerWaalsContact C-N 3.34Å; L321-H323 PolarHBondContact O-N 2.97Å; H323-A330 WeakPolarHBondContact CB-O 3.38Å; H323-A330 PolarHBondContact CD2-O 2.88Å; H323-L332 HydrophobicContact CB-CD2 4.27Å; H323-L332 PolarHBondContact CD2-N 3.32Å; H323-L332 VanDerWaalsContact CD2-N 3.34Å |
| 324 | A | 70.1 | Confident | 68.8 | Low | 63 Ų | 63 | 72 Ų | 72 | 52% | 0.521 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.6 | -34.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L300 A320 L321 M322 | L300-A324 HydrophobicContact CD2-CB 4.45Å; A320-A324 WeakPolarHBondContact O-CB 3.36Å; A320-A324 PolarHBondContact O-N 3.15Å; L321-A324 WeakPolarHBondContact O-CB 3.37Å; L321-A324 PolarHBondContact O-N 3.4Å; L321-A324 VanDerWaalsContact O-N 3.1Å; M322-A324 VanDerWaalsContact C-N 3.31Å; M322-A324 PolarHBondContact O-N 3.4Å |
| 325 | T | 71.3 | Confident | 69.7 | Low | 99 Ų | 99 | 66.2 Ų | 66.2 | 61% | 0.607 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -85.7 | -31.6 | -179.6 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | L321 M322 | L321-T325 HydrophobicContact CD1-CG2 4.37Å; L321-T325 WeakPolarHBondContact O-CG2 3.42Å; L321-T325 PolarHBondContact O-N 2.96Å; L321-T325 PolarHBondContact O-OG1 2.03Å; L321-T325 VanDerWaalsContact O-OG1 3.1Å; M322-T325 PolarHBondContact O-N 3.27Å; M322-T325 PolarHBondContact O-OG1 3.27Å |
| 326 | A | 69.1 | Low | 70.5 | Confident | 42 Ų | 42 | 63 Ų | 63 | 35% | 0.347 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -143.2 | 84.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | M322 G328 A329 | M322-A326 CarbonylContact O-C 3.57Å; M322-A326 PolarHBondContact O-N 3.04Å; A326-G328 PolarHBondContact O-N 3.28Å; A326-A329 HydrophobicContact CB-CB 3.88Å; A326-A329 PolarHBondContact O-N 2.9Å |
| 327 | P | 62.3 | Low | 71.5 | Confident | 107 Ų | 107 | 65.5 Ų | 65.5 | 70% | 0.695 | 41% | 0.408 | S | S | * | . | B | Isolated β-bridge | trans | -60.9 | 108.7 | 176.7 | 22.7 | -30.6 | 0 | 0 | 0 | 109.5 | ||
| 328 | G | 60.6 | Low | 72.2 | Confident | 77 Ų | 77 | 65.7 Ų | 65.7 | 79% | 0.794 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 124.3 | -17.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115 | A326 | A326-G328 PolarHBondContact O-N 3.28Š|
| 329 | A | 61.5 | Low | 72.7 | Confident | 68 Ų | 68 | 65.1 Ų | 65.1 | 56% | 0.562 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -25.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | M322 A326 | M322-A329 HydrophobicContact CE-CB 4.48Å; A326-A329 HydrophobicContact CB-CB 3.88Å; A326-A329 PolarHBondContact O-N 2.9Å |
| 330 | A | 62.4 | Low | 73.3 | Confident | 23 Ų | 23 | 63.3 Ų | 63.3 | 19% | 0.19 | 40% | 0.402 | C | S | . | . | B | Isolated β-bridge | trans | -154.2 | 141.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | R319 M322 H323 | R319-A330 HydrophobicContact CG-CB 4.02Å; M322-A330 HydrophobicContact CB-CB 3.95Å; H323-A330 WeakPolarHBondContact CB-O 3.38Å; H323-A330 PolarHBondContact CD2-O 2.88Å |
| 331 | D | 70.6 | Confident | 74 | Confident | 126 Ų | 126 | 64.2 Ų | 64.2 | 67% | 0.674 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 156.2 | 172.2 | -62.5 | -40.5 | 0 | 0 | 0 | 112 | R319 | R319-D331 WeakPolarHBondContact CD-O 3.44Å; R319-D331 VanDerWaalsContact CG-O 3.24Å; R319-D331 WeakPolarHBondContact CG-O 3.46Å |
| 332 | L | 69.7 | Low | 74.7 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 44% | 0.44 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 147.9 | 170.8 | -76 | 170.3 | 0 | 0 | 0 | 110.8 | H323 | H323-L332 HydrophobicContact CB-CD2 4.27Å; H323-L332 PolarHBondContact CD2-N 3.32Å; H323-L332 VanDerWaalsContact CD2-N 3.34Å |
| 333 | P | 74.9 | Confident | 75.3 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 8% | 0.078 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 145.7 | 174.8 | 22.5 | -30.3 | 0 | 0 | 0 | 111.9 | C298 A316 A320 C369 R370 | C298-P333 HydrophobicContact CB-CB 4.28Å; C298-P333 HydrophobicContact CB-CG 3.85Å; C298-P333 VanDerWaalsContact CB-O 3.27Å; C298-P333 WeakPolarHBondContact CB-O 3.48Å; A316-P333 HydrophobicContact CB-CB 4.39Å; A320-P333 HydrophobicContact CB-CG 4.28Å; P333-C369 HydrophobicContact CB-CB 4.21Å; P333-C369 HydrophobicContact CG-CB 4.49Å; P333-R370 CarbonylContact C-O 3.45Å; P333-R370 VanDerWaalsContact CA-O 3.23Å; P333-R370 WeakPolarHBondContact CA-O 3.43Å; P333-R370 WeakPolarHBondContact CB-O 3.46Å |
| 334 | C | 83.8 | Confident | 76.2 | Confident | 83 Ų | 83 | 56 Ų | 56 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -91.7 | 145.9 | 179.9 | -71.9 | 0 | 0 | 0 | 0 | 111.2 | V336 C369 R370 | C334-V336 HydrophobicContact CB-CG1 3.95Å; C334-V336 PolarHBondContact O-N 3.29Å; C334-C369 WeakPolarHBondContact O-CA 3.28Å; C334-R370 PolarHBondContact N-O 3.24Å; C334-R370 PolarHBondContact O-N 3.45Å; C334-R370 VanDerWaalsContact O-N 3.11Å |
| 335 | C | 84.3 | Confident | 77.2 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 17% | 0.169 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 104.5 | 171.7 | -175 | 0 | 0 | 0 | 0 | 109.9 | C265 G296 | C265-C335 WeakPolarHBondContact CA-SG 3.34Å; C265-C335 HydrophobicContact CB-CB 3.78Å; C265-C335 WeakPolarHBondContact CB-SG 3.38Å; C265-C335 VanDerWaalsContact SG-CA 3.51Å; C265-C335 WeakPolarHBondContact SG-CB 3.38Å; C265-C335 CovalentContact SG-SG 2.04Å; C265-C335 PolarHBondContact SG-SG 2.04Å; G296-C335 WeakPolarHBondContact O-CB 3.45Å |
| 336 | V | 85.5 | Confident | 78.2 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 160.9 | -172.6 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | C334 A338 C367 G368 R370 | C334-V336 HydrophobicContact CB-CG1 3.95Å; C334-V336 PolarHBondContact O-N 3.29Å; V336-A338 PolarHBondContact O-N 2.89Å; V336-C367 WeakPolarHBondContact O-CA 3.46Å; V336-G368 PolarHBondContact N-O 2.93Å; V336-G368 PolarHBondContact O-N 2.91Å; V336-G368 VanDerWaalsContact O-O 3.12Å; V336-R370 HydrophobicContact CG2-CB 3.86Å; V336-R370 HydrophobicContact CG2-CG 3.87Å |
| 337 | P | 85.4 | Confident | 79.3 | Confident | 55 Ų | 55 | 46.8 Ų | 46.8 | 36% | 0.357 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 128.1 | 175.2 | -25.2 | 35.2 | 0 | 0 | 0 | 111.5 | C294 L340 V364 | C294-P337 VanDerWaalsContact SG-CA 3.54Å; P337-L340 HydrophobicContact CB-CD1 4.15Å; P337-L340 HydrophobicContact CB-CD2 3.9Å; P337-L340 HydrophobicContact CB-CG 3.97Å; P337-L340 HydrophobicContact CG-CD2 4.38Å; P337-V364 HydrophobicContact CB-CG1 4.28Å; P337-V364 HydrophobicContact CB-CG2 4.27Å; P337-V364 HydrophobicContact CG-CG1 4.47Å; P337-V364 HydrophobicContact CG-CG2 3.94Å |
| 338 | A | 82.6 | Confident | 80.6 | Confident | 50 Ų | 50 | 42.1 Ų | 42.1 | 41% | 0.413 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -33.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V336 E366 | V336-A338 PolarHBondContact O-N 2.89Å; A338-E366 HydrophobicContact CB-CB 4.41Å; A338-E366 PolarHBondContact N-O 3.48Å |
| 339 | R | 82.6 | Confident | 81.9 | Confident | 85 Ų | 85 | 39 Ų | 39 | 32% | 0.321 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133.9 | 173.7 | -174.7 | 170.9 | 70.1 | -170.9 | -0.3 | 110.1 | D252 D365 E366 | D252-R339 IonicContact OD1-CZ 2.71Å; D252-R339 VanDerWaalsContact OD1-CZ 3.28Å; D252-R339 IonicContact OD1-NH1 2.74Å; D252-R339 PolarHBondContact OD1-NH1 3.02Å; D252-R339 IonicContact OD1-NH2 3.37Å; D252-R339 PolarHBondContact OD1-NH2 3.02Å; R339-D365 HydrophobicContact CB-CB 4.3Å; R339-D365 HydrophobicContact CG-CB 4.17Å; R339-D365 IonicContact NE-OD2 3.41Å; R339-D365 PolarHBondContact O-N 2.89Å; R339-E366 HydrophobicContact CB-CB 3.93Å; R339-E366 HydrophobicContact CB-CG 4.22Å; R339-E366 IonicContact CZ-OE1 3.1Å; R339-E366 PolarHBondContact N-O 2.97Å; R339-E366 IonicContact NE-OE1 3.61Å; R339-E366 IonicContact NH1-OE1 3.77Å; R339-E366 PolarHBondContact NH1-OE1 2.84Å; R339-E366 IonicContact NH2-OE1 2.66Å; R339-E366 PolarHBondContact NH2-OE1 3.04Å; R339-E366 PolarHBondContact O-N 2.9Å |
| 340 | L | 83.1 | Confident | 83 | Confident | 54 Ų | 54 | 40.3 Ų | 40.3 | 28% | 0.283 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 149.9 | 176.2 | -63.7 | 147.1 | 0 | 0 | 0 | 109.9 | P337 D361 V363 V364 | P337-L340 HydrophobicContact CB-CD1 4.15Å; P337-L340 HydrophobicContact CB-CD2 3.9Å; P337-L340 HydrophobicContact CB-CG 3.97Å; P337-L340 HydrophobicContact CG-CD2 4.38Å; L340-D361 HydrophobicContact CB-CB 4.3Å; L340-D361 HydrophobicContact CD1-CB 3.98Å; L340-V363 CarbonylContact C-O 3.45Å; L340-V363 WeakPolarHBondContact CA-O 3.47Å; L340-V364 HydrophobicContact CD2-CB 4.44Å; L340-V364 HydrophobicContact CD2-CG2 3.81Å |
| 341 | S | 82.8 | Confident | 84 | Confident | 25 Ų | 25 | 39.7 Ų | 39.7 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 153.7 | 173.2 | 49.7 | 0 | 0 | 0 | 0 | 112.4 | M362 V363 D365 | S341-M362 PolarHBondContact O-N 3.37Å; S341-V363 PolarHBondContact N-O 3.1Å; S341-V363 PolarHBondContact O-N 2.85Å; S341-V363 WeakPolarHBondContact OG-CB 3.33Å; S341-D365 WeakPolarHBondContact CB-OD2 3.01Å; S341-D365 PolarHBondContact N-OD2 2.03Å; S341-D365 VanDerWaalsContact OG-CG 3.28Å; S341-D365 PolarHBondContact OG-OD1 2.88Å; S341-D365 PolarHBondContact OG-OD2 3.11Å |
| 342 | P | 84.5 | Confident | 84.8 | Confident | 36 Ų | 36 | 36.3 Ų | 36.3 | 23% | 0.234 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 163.3 | 179.4 | 29.5 | -34.6 | 0 | 0 | 0 | 113.4 | Q358 Y359 E360 | P342-Q358 HydrophobicContact CB-CG 4.16Å; P342-Y359 CarbonylContact C-O 3.54Å; P342-Y359 WeakPolarHBondContact CA-O 3.38Å; P342-Y359 VanDerWaalsContact CB-O 3.3Å; P342-Y359 WeakPolarHBondContact CB-O 3.42Å; P342-E360 WeakPolarHBondContact CB-OE2 3.29Å |
| 343 | I | 85.6 | Confident | 85.8 | Confident | 12 Ų | 12 | 32.3 Ų | 32.3 | 6% | 0.062 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 152.8 | 164.1 | 67.3 | 175.7 | 0 | 0 | 0 | 110.9 | F289 V345 Y359 M362 V363 | F289-I343 HydrophobicContact CD1-CD1 3.93Å; F289-I343 HydrophobicContact CD2-CD1 4.22Å; F289-I343 HydrophobicContact CD2-CG2 3.91Å; F289-I343 HydrophobicContact CE1-CD1 3.83Å; F289-I343 HydrophobicContact CE2-CD1 4.1Å; F289-I343 HydrophobicContact CE2-CG2 4.3Å; F289-I343 HydrophobicContact CG-CD1 4.14Å; F289-I343 HydrophobicContact CG-CG2 4.37Å; F289-I343 HydrophobicContact CZ-CD1 3.93Å; I343-V345 HydrophobicContact CD1-CG2 3.93Å; I343-V345 HydrophobicContact CG1-CG2 4.14Å; I343-Y359 PolarHBondContact N-O 2.92Å; I343-Y359 PolarHBondContact O-N 3.1Å; I343-M362 HydrophobicContact CB-CB 4.49Å; I343-M362 HydrophobicContact CD1-CB 4.04Å; I343-M362 HydrophobicContact CD1-CE 4Å; I343-M362 HydrophobicContact CD1-CG 4.16Å; I343-M362 HydrophobicContact CG1-CB 3.82Å; I343-M362 HydrophobicContact CG1-CG 3.89Å; I343-M362 HydrophobicContact CG2-CB 4.1Å; I343-V363 HydrophobicContact CG2-CG2 3.58Å |
| 344 | S | 88.1 | Confident | 86.7 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 137.9 | 167.7 | -69.3 | 0 | 0 | 0 | 0 | 110 | F66 R69 P286 R357 | F66-S344 WeakPolarHBondContact CE2-O 3.32Å; R69-S344 WeakPolarHBondContact CB-OG 3.02Å; P286-S344 WeakPolarHBondContact CD-O 3.5Å; S344-R357 WeakPolarHBondContact CA-O 3.35Å |
| 345 | V | 90.4 | Very high | 87.1 | Confident | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.036 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.9 | 177.7 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | V283 I343 F347 L356 R357 Y359 | V283-V345 HydrophobicContact CG1-CG1 3.81Å; V283-V345 HydrophobicContact CG2-CG1 4.33Å; I343-V345 HydrophobicContact CD1-CG2 3.93Å; I343-V345 HydrophobicContact CG1-CG2 4.14Å; V345-F347 HydrophobicContact CG1-CD1 4.06Å; V345-L356 WeakPolarHBondContact O-CA 3.41Å; V345-R357 PolarHBondContact N-O 3.1Å; V345-R357 PolarHBondContact O-N 3.29Å; V345-Y359 HydrophobicContact CB-CD2 4.08Å; V345-Y359 HydrophobicContact CB-CE2 3.92Å; V345-Y359 HydrophobicContact CG2-CD2 3.71Å; V345-Y359 HydrophobicContact CG2-CE2 3.96Å |
| 346 | L | 92.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.5 | 176 | -177.7 | 66.9 | 0 | 0 | 0 | 108.9 | V58 M62 W63 F66 I284 A285 V354 V355 L356 | V58-L346 HydrophobicContact CG1-CD2 4.11Å; M62-L346 HydrophobicContact CB-CD1 4.06Å; M62-L346 HydrophobicContact CE-CD1 4.01Å; W63-L346 HydrophobicContact CD2-CD2 4.23Å; W63-L346 HydrophobicContact CE3-CD2 4.11Å; W63-L346 HydrophobicContact CH2-CD2 4.39Å; W63-L346 HydrophobicContact CZ2-CD2 4.5Å; W63-L346 HydrophobicContact CZ3-CD2 4.19Å; F66-L346 HydrophobicContact CB-CD2 4.32Å; F66-L346 HydrophobicContact CD2-CB 3.83Å; F66-L346 HydrophobicContact CE2-CB 4.32Å; F66-L346 HydrophobicContact CG-CB 4.32Å; F66-L346 HydrophobicContact CG-CD2 4.45Å; I284-L346 WeakPolarHBondContact CA-O 3.39Å; I284-L346 HydrophobicContact CB-CB 4.49Å; I284-L346 HydrophobicContact CB-CD2 4.34Å; I284-L346 HydrophobicContact CB-CG 4.15Å; I284-L346 VanDerWaalsContact CB-O 3.31Å; I284-L346 WeakPolarHBondContact CB-O 3.26Å; I284-L346 HydrophobicContact CD1-CD2 4.5Å; I284-L346 HydrophobicContact CD1-CG 3.95Å; I284-L346 HydrophobicContact CG2-CD2 4.04Å; I284-L346 HydrophobicContact CG2-CG 4.39Å; I284-L346 PolarHBondContact N-O 2.98Å; A285-L346 HydrophobicContact CB-CB 4.39Å; A285-L346 PolarHBondContact N-O 3.49Å; A285-L346 VanDerWaalsContact N-O 3.09Å; A285-L346 PolarHBondContact O-N 2.02Å; L346-V354 HydrophobicContact CD1-CG1 3.67Å; L346-V354 HydrophobicContact CG-CG1 4.48Å; L346-V355 CarbonylContact C-O 3.34Å; L346-V355 WeakPolarHBondContact CA-O 3.32Å; L346-L356 HydrophobicContact CB-CD1 4.45Å; L346-L356 HydrophobicContact CD1-CB 4.1Å |
| 347 | F | 91.6 | Very high | 87.7 | Confident | 5 Ų | 5 | 25.2 Ų | 25.2 | 2% | 0.022 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 170.1 | -172.4 | 67.6 | -84.4 | 0 | 0 | 0 | 113.4 | L45 W282 V283 V345 V355 R357 | L45-F347 HydrophobicContact CD2-CE2 3.98Å; L45-F347 HydrophobicContact CD2-CZ 4.02Å; W282-F347 HydrophobicContact CE3-CB 3.71Å; W282-F347 AromaticContact CE3-CD2 3.81Å; W282-F347 HydrophobicContact CE3-CD2 3.81Å; W282-F347 AromaticContact CE3-CG 4Å; W282-F347 HydrophobicContact CE3-CG 4Å; W282-F347 HydrophobicContact CZ3-CB 3.91Å; W282-F347 AromaticContact CZ3-CD2 3.83Å; W282-F347 HydrophobicContact CZ3-CD2 3.83Å; W282-F347 AromaticContact CZ3-CG 3.88Å; W282-F347 HydrophobicContact CZ3-CG 3.88Å; W282-F347 WeakPolarHBondContact O-CA 3.37Å; W282-F347 WeakPolarHBondContact O-CB 3.33Å; V283-F347 HydrophobicContact CG2-CB 4.38Å; V345-F347 HydrophobicContact CG1-CD1 4.06Å; F347-V355 HydrophobicContact CD1-CB 4.35Å; F347-V355 HydrophobicContact CD2-CB 4.45Å; F347-V355 HydrophobicContact CE1-CB 3.95Å; F347-V355 HydrophobicContact CE1-CG1 3.81Å; F347-V355 HydrophobicContact CE2-CB 4.05Å; F347-V355 HydrophobicContact CE2-CG1 4.37Å; F347-V355 HydrophobicContact CE2-CG2 4.42Å; F347-V355 HydrophobicContact CZ-CB 3.79Å; F347-V355 HydrophobicContact CZ-CG1 3.65Å; F347-V355 HydrophobicContact CZ-CG2 4.5Å; F347-V355 PolarHBondContact N-O 3.44Å; F347-V355 PolarHBondContact O-N 2.95Å; F347-R357 HydrophobicContact CE1-CB 4.01Å |
| 348 | F | 90.4 | Very high | 87.6 | Confident | 9 Ų | 9 | 24 Ų | 24 | 4% | 0.039 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 133.5 | 170.1 | -68.5 | -78.9 | 0 | 0 | 0 | 111.2 | P49 A52 P53 V58 W282 I284 N353 V354 | P49-F348 WeakPolarHBondContact CB-O 3.37Å; P49-F348 WeakPolarHBondContact CG-O 3.13Å; A52-F348 HydrophobicContact CB-CD2 3.5Å; A52-F348 VanDerWaalsContact CB-CD2 3.5Å; A52-F348 HydrophobicContact CB-CE2 3.7Å; A52-F348 HydrophobicContact CB-CG 4.48Å; P53-F348 HydrophobicContact CG-CD1 4.02Å; P53-F348 HydrophobicContact CG-CE1 3.94Å; P53-F348 HydrophobicContact CG-CG 4.43Å; P53-F348 HydrophobicContact CG-CZ 4.29Å; V58-F348 HydrophobicContact CG2-CZ 4.07Å; W282-F348 PolarHBondContact O-N 2.84Å; I284-F348 HydrophobicContact CD1-CD2 3.76Å; I284-F348 HydrophobicContact CD1-CE2 3.57Å; I284-F348 HydrophobicContact CD1-CG 4.35Å; I284-F348 HydrophobicContact CD1-CZ 4Å; I284-F348 HydrophobicContact CG1-CD2 3.78Å; I284-F348 HydrophobicContact CG1-CE2 3.59Å; I284-F348 HydrophobicContact CG1-CZ 4.44Å; F348-N353 WeakPolarHBondContact CA-O 3.45Å; F348-V354 HydrophobicContact CD1-CG2 4.01Å; F348-V354 HydrophobicContact CE1-CG2 3.54Å; F348-V354 HydrophobicContact CZ-CG2 4.29Å |
| 349 | D | 87.5 | Confident | 87.6 | Confident | 12 Ų | 12 | 21.9 Ų | 21.9 | 6% | 0.064 | 11% | 0.113 | C | C | . | . | trans | -82.5 | 179.4 | 170 | 72.6 | 8.5 | 0 | 0 | 0 | 112.1 | A135 S351 D352 N353 V355 | A135-D349 HydrophobicContact CB-CB 4.24Å; A135-D349 WeakPolarHBondContact CB-OD2 3.44Å; D349-S351 PolarHBondContact O-N 2.82Å; D349-S351 VanDerWaalsContact O-N 3.16Å; D349-S351 VanDerWaalsContact OD1-CA 3.23Å; D349-S351 WeakPolarHBondContact OD1-CA 3.46Å; D349-S351 WeakPolarHBondContact OD1-CB 2.98Å; D349-S351 PolarHBondContact OD1-N 2.91Å; D349-D352 PolarHBondContact O-N 2.83Å; D349-D352 VanDerWaalsContact O-N 3.15Å; D349-D352 PolarHBondContact OD1-N 3.42Å; D349-D352 VanDerWaalsContact OD1-N 3.11Å; D349-N353 PolarHBondContact N-O 2.84Å; D349-N353 VanDerWaalsContact N-O 3.08Å; D349-N353 WeakPolarHBondContact OD1-CB 3.27Å; D349-N353 PolarHBondContact OD1-N 3.38Å; D349-N353 PolarHBondContact OD1-ND2 2.76Å; D349-N353 WeakPolarHBondContact OD2-CB 3.36Å; D349-N353 PolarHBondContact OD2-ND2 2.88Å; D349-V355 HydrophobicContact CB-CG2 4.06Å | ||
| 350 | N | 84.7 | Confident | 87.6 | Confident | 94 Ų | 94 | 19.3 Ų | 19.3 | 50% | 0.503 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -13.4 | 176.6 | -71.4 | -35.9 | 0 | 0 | 0 | 114 | P49 | P49-N350 VanDerWaalsContact CA-OD1 3.24Å; P49-N350 WeakPolarHBondContact CA-OD1 3.06Å |
| 351 | S | 84.5 | Confident | 87.5 | Confident | 11 Ų | 11 | 21.1 Ų | 21.1 | 8% | 0.077 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 19.9 | 178.2 | -67.8 | 0 | 0 | 0 | 0 | 111.6 | R108 D132 D349 N353 | R108-S351 PolarHBondContact NH2-O 3.09Å; D132-S351 VanDerWaalsContact CG-OG 3.31Å; D132-S351 VanDerWaalsContact OD2-CB 3.31Å; D132-S351 WeakPolarHBondContact OD2-CB 3.05Å; D132-S351 PolarHBondContact OD2-OG 2.93Å; D349-S351 PolarHBondContact O-N 2.82Å; D349-S351 VanDerWaalsContact O-N 3.16Å; D349-S351 VanDerWaalsContact OD1-CA 3.23Å; D349-S351 WeakPolarHBondContact OD1-CA 3.46Å; D349-S351 WeakPolarHBondContact OD1-CB 2.98Å; D349-S351 PolarHBondContact OD1-N 2.91Å; S351-N353 VanDerWaalsContact CB-ND2 3.35Å; S351-N353 WeakPolarHBondContact CB-ND2 2.94Å; S351-N353 PolarHBondContact O-N 3.03Å; S351-N353 PolarHBondContact O-OD1 3.34Å |
| 352 | D | 86.6 | Confident | 87.6 | Confident | 54 Ų | 54 | 21.7 Ų | 21.7 | 29% | 0.289 | 12% | 0.115 | S | C | . | . | S | Bend | trans | 54.7 | 19.5 | -178.6 | -62.4 | -49.8 | 0 | 0 | 0 | 113.9 | P53 R108 D349 | P53-D352 WeakPolarHBondContact CD-OD1 3.45Å; P53-D352 HydrophobicContact CG-CB 4.12Å; P53-D352 WeakPolarHBondContact CG-OD1 3.39Å; R108-D352 IonicContact NH2-OD2 3.67Å; D349-D352 PolarHBondContact O-N 2.83Å; D349-D352 VanDerWaalsContact O-N 3.15Å; D349-D352 PolarHBondContact OD1-N 3.42Å; D349-D352 VanDerWaalsContact OD1-N 3.11Å |
| 353 | N | 90.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | trans | -79.7 | 144.5 | 174.2 | -52.4 | -47.6 | 0 | 0 | 0 | 108.7 | I105 P106 D132 F348 D349 S351 | I105-N353 HydrophobicContact CG1-CB 4.3Å; I105-N353 WeakPolarHBondContact CG2-OD1 3.23Å; P106-N353 WeakPolarHBondContact CD-OD1 3.4Å; D132-N353 PolarHBondContact O-ND2 3.09Å; F348-N353 WeakPolarHBondContact CA-O 3.45Å; D349-N353 PolarHBondContact N-O 2.84Å; D349-N353 VanDerWaalsContact N-O 3.08Å; D349-N353 WeakPolarHBondContact OD1-CB 3.27Å; D349-N353 PolarHBondContact OD1-N 3.38Å; D349-N353 PolarHBondContact OD1-ND2 2.76Å; D349-N353 WeakPolarHBondContact OD2-CB 3.36Å; D349-N353 PolarHBondContact OD2-ND2 2.88Å; S351-N353 VanDerWaalsContact CB-ND2 3.35Å; S351-N353 WeakPolarHBondContact CB-ND2 2.94Å; S351-N353 PolarHBondContact O-N 3.03Å; S351-N353 PolarHBondContact O-OD1 3.34Å | ||
| 354 | V | 93.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 123.6 | 172.7 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | V58 M62 R103 H104 I284 L346 F348 | V58-V354 HydrophobicContact CG1-CG1 4.11Å; M62-V354 HydrophobicContact CB-CG1 4.11Å; M62-V354 HydrophobicContact CE-CG1 3.92Å; M62-V354 HydrophobicContact CG-CB 4.4Å; M62-V354 HydrophobicContact CG-CG1 3.87Å; R103-V354 CarbonylContact C-O 3.6Å; R103-V354 WeakPolarHBondContact CA-O 3.41Å; H104-V354 HydrophobicContact CB-CB 4.42Å; H104-V354 PolarHBondContact N-O 2.96Å; H104-V354 PolarHBondContact O-N 3.42Å; I284-V354 HydrophobicContact CD1-CG1 4.18Å; L346-V354 HydrophobicContact CD1-CG1 3.67Å; L346-V354 HydrophobicContact CG-CG1 4.48Å; F348-V354 HydrophobicContact CD1-CG2 4.01Å; F348-V354 HydrophobicContact CE1-CG2 3.54Å; F348-V354 HydrophobicContact CZ-CG2 4.29Å |
| 355 | V | 92.9 | Very high | 87.6 | Confident | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.024 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.7 | -176.5 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | I101 V102 R103 L346 F347 D349 | I101-V355 HydrophobicContact CG2-CG1 3.9Å; V102-V355 CarbonylContact O-C 3.48Å; V102-V355 WeakPolarHBondContact O-CA 3.38Å; R103-V355 HydrophobicContact CG-CG1 4.15Å; R103-V355 HydrophobicContact CG-CG2 4.04Å; L346-V355 CarbonylContact C-O 3.34Å; L346-V355 WeakPolarHBondContact CA-O 3.32Å; F347-V355 HydrophobicContact CD1-CB 4.35Å; F347-V355 HydrophobicContact CD2-CB 4.45Å; F347-V355 HydrophobicContact CE1-CB 3.95Å; F347-V355 HydrophobicContact CE1-CG1 3.81Å; F347-V355 HydrophobicContact CE2-CB 4.05Å; F347-V355 HydrophobicContact CE2-CG1 4.37Å; F347-V355 HydrophobicContact CE2-CG2 4.42Å; F347-V355 HydrophobicContact CZ-CB 3.79Å; F347-V355 HydrophobicContact CZ-CG1 3.65Å; F347-V355 HydrophobicContact CZ-CG2 4.5Å; F347-V355 PolarHBondContact N-O 3.44Å; F347-V355 PolarHBondContact O-N 2.95Å; D349-V355 HydrophobicContact CB-CG2 4.06Å |
| 356 | L | 92.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 119.7 | 166.5 | 173.2 | 65.3 | 0 | 0 | 0 | 107.9 | M62 L65 F66 I101 V102 V345 L346 | M62-L356 HydrophobicContact CE-CB 3.64Å; L65-L356 HydrophobicContact CB-CD2 3.49Å; L65-L356 VanDerWaalsContact CB-CD2 3.49Å; F66-L356 HydrophobicContact CB-CD1 4.12Å; F66-L356 HydrophobicContact CD2-CD1 3.81Å; F66-L356 HydrophobicContact CG-CD1 4.48Å; I101-L356 WeakPolarHBondContact CA-O 3.22Å; V102-L356 HydrophobicContact CB-CB 4.31Å; V102-L356 PolarHBondContact N-O 3.1Å; V102-L356 PolarHBondContact O-N 3.49Å; V345-L356 WeakPolarHBondContact O-CA 3.41Å; L346-L356 HydrophobicContact CB-CD1 4.45Å; L346-L356 HydrophobicContact CD1-CB 4.1Å |
| 357 | R | 89.2 | Confident | 86.9 | Confident | 12 Ų | 12 | 25.3 Ų | 25.3 | 5% | 0.045 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 141.3 | 179.8 | -177.2 | 159.1 | 171.7 | -169.5 | -2.5 | 110.9 | L43 G44 N100 I101 S344 V345 F347 Y359 | L43-R357 PolarHBondContact O-NH1 2.9Å; L43-R357 PolarHBondContact O-NH2 3.4Å; L43-R357 VanDerWaalsContact O-NH2 3.11Å; G44-R357 PolarHBondContact O-NH1 3.06Å; N100-R357 WeakPolarHBondContact O-CA 3.24Å; I101-R357 HydrophobicContact CG1-CG 4.05Å; S344-R357 WeakPolarHBondContact CA-O 3.35Å; V345-R357 PolarHBondContact N-O 3.1Å; V345-R357 PolarHBondContact O-N 3.29Å; F347-R357 HydrophobicContact CE1-CB 4.01Å; R357-Y359 HydrophobicContact CB-CE2 4.02Å; R357-Y359 WeakPolarHBondContact CD-OH 3.48Å; R357-Y359 HydrophobicContact CG-CD1 4.41Å; R357-Y359 HydrophobicContact CG-CD2 4.37Å; R357-Y359 HydrophobicContact CG-CE1 3.9Å; R357-Y359 HydrophobicContact CG-CE2 3.91Å; R357-Y359 VanDerWaalsContact NE-CE1 3.28Å |
| 358 | Q | 83.9 | Confident | 86.4 | Confident | 28 Ų | 28 | 25.7 Ų | 25.7 | 13% | 0.131 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 130.5 | 171.1 | -172.6 | 168 | -39.8 | 0 | 0 | 109.7 | N100 P342 E360 | N100-Q358 HydrophobicContact CB-CB 4.46Å; N100-Q358 PolarHBondContact O-N 3Å; P342-Q358 HydrophobicContact CB-CG 4.16Å; Q358-E360 PolarHBondContact NE2-OE1 3.5Å |
| 359 | Y | 83.4 | Confident | 85.9 | Confident | 7 Ų | 7 | 26.8 Ų | 26.8 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 114 | 178.9 | -68.6 | -69.6 | 0 | 0 | 0 | 109.2 | L43 P342 I343 V345 R357 | L43-Y359 VanDerWaalsContact C-CE1 3.5Å; L43-Y359 HydrophobicContact CB-CD1 4.23Å; L43-Y359 HydrophobicContact CB-CE1 3.57Å; L43-Y359 HydrophobicContact CD2-CD1 3.32Å; L43-Y359 HydrophobicContact CD2-CD2 3.82Å; L43-Y359 HydrophobicContact CD2-CE1 3.55Å; L43-Y359 HydrophobicContact CD2-CE2 3.99Å; L43-Y359 HydrophobicContact CD2-CG 3.45Å; L43-Y359 VanDerWaalsContact CD2-CG 3.45Å; L43-Y359 HydrophobicContact CG-CD1 4.33Å; L43-Y359 HydrophobicContact CG-CE1 4.1Å; L43-Y359 WeakPolarHBondContact O-CE1 3.34Å; L43-Y359 PolarHBondContact O-OH 3.47Å; P342-Y359 CarbonylContact C-O 3.54Å; P342-Y359 WeakPolarHBondContact CA-O 3.38Å; P342-Y359 VanDerWaalsContact CB-O 3.3Å; P342-Y359 WeakPolarHBondContact CB-O 3.42Å; I343-Y359 PolarHBondContact N-O 2.92Å; I343-Y359 PolarHBondContact O-N 3.1Å; V345-Y359 HydrophobicContact CB-CD2 4.08Å; V345-Y359 HydrophobicContact CB-CE2 3.92Å; V345-Y359 HydrophobicContact CG2-CD2 3.71Å; V345-Y359 HydrophobicContact CG2-CE2 3.96Å; R357-Y359 HydrophobicContact CB-CE2 4.02Å; R357-Y359 WeakPolarHBondContact CD-OH 3.48Å; R357-Y359 HydrophobicContact CG-CD1 4.41Å; R357-Y359 HydrophobicContact CG-CD2 4.37Å; R357-Y359 HydrophobicContact CG-CE1 3.9Å; R357-Y359 HydrophobicContact CG-CE2 3.91Å; R357-Y359 VanDerWaalsContact NE-CE1 3.28Å |
| 360 | E | 81.2 | Confident | 85.2 | Confident | 31 Ų | 31 | 32.9 Ų | 32.9 | 15% | 0.145 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 160.1 | 175.2 | -59.3 | -57.9 | 138.9 | 0 | 0 | 111.1 | L242 P342 Q358 M362 | L242-E360 WeakPolarHBondContact O-CG 3.42Å; P342-E360 WeakPolarHBondContact CB-OE2 3.29Å; Q358-E360 PolarHBondContact NE2-OE1 3.5Å; E360-M362 VanDerWaalsContact C-N 3.31Å; E360-M362 PolarHBondContact O-N 3.49Å |
| 361 | D | 81.4 | Confident | 85.2 | Confident | 92 Ų | 92 | 29.8 Ų | 29.8 | 49% | 0.492 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.7 | 30.9 | 171.1 | -60.8 | -39.3 | 0 | 0 | 0 | 116 | L340 | L340-D361 HydrophobicContact CB-CB 4.3Å; L340-D361 HydrophobicContact CD1-CB 3.98Å |
| 362 | M | 85.8 | Confident | 85.3 | Confident | 37 Ų | 37 | 30.8 Ų | 30.8 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -25 | -174.2 | -70.6 | -63.5 | -64.7 | 0 | 0 | 114.5 | L39 L43 F289 S341 I343 E360 | L39-M362 HydrophobicContact CD1-CE 4.42Å; L43-M362 HydrophobicContact CD2-CE 3.95Å; L43-M362 HydrophobicContact CD2-SD 3.91Å; F289-M362 HydrophobicContact CE1-CE 4.4Å; F289-M362 HydrophobicContact CE2-CB 4.36Å; F289-M362 WeakPolarHBondContact CE2-O 3.45Å; F289-M362 HydrophobicContact CZ-CE 3.79Å; S341-M362 PolarHBondContact O-N 3.37Å; I343-M362 HydrophobicContact CB-CB 4.49Å; I343-M362 HydrophobicContact CD1-CB 4.04Å; I343-M362 HydrophobicContact CD1-CE 4Å; I343-M362 HydrophobicContact CD1-CG 4.16Å; I343-M362 HydrophobicContact CG1-CB 3.82Å; I343-M362 HydrophobicContact CG1-CG 3.89Å; I343-M362 HydrophobicContact CG2-CB 4.1Å; E360-M362 VanDerWaalsContact C-N 3.31Å; E360-M362 PolarHBondContact O-N 3.49Å |
| 363 | V | 87.4 | Confident | 85.2 | Confident | 13 Ų | 13 | 29.5 Ų | 29.5 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125.3 | -177.2 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | F289 L290 A291 L340 S341 I343 D365 | F289-V363 HydrophobicContact CD2-CG2 3.7Å; F289-V363 HydrophobicContact CE2-CG2 3.92Å; L290-V363 WeakPolarHBondContact O-CG1 3.38Å; A291-V363 WeakPolarHBondContact O-CA 3.35Å; L340-V363 CarbonylContact C-O 3.45Å; L340-V363 WeakPolarHBondContact CA-O 3.47Å; S341-V363 PolarHBondContact N-O 3.1Å; S341-V363 PolarHBondContact O-N 2.85Å; S341-V363 WeakPolarHBondContact OG-CB 3.33Å; I343-V363 HydrophobicContact CG2-CG2 3.58Å; V363-D365 PolarHBondContact O-N 3.24Å |
| 364 | V | 86.6 | Confident | 84.9 | Confident | 11 Ų | 11 | 31.2 Ų | 31.2 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 111.8 | 172.9 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | A267 A291 N292 P337 L340 | A267-V364 HydrophobicContact CB-CG1 4.41Å; A291-V364 PolarHBondContact O-N 2.85Å; N292-V364 HydrophobicContact CB-CB 4Å; N292-V364 WeakPolarHBondContact CB-O 3.49Å; N292-V364 PolarHBondContact ND2-O 3.42Å; P337-V364 HydrophobicContact CB-CG1 4.28Å; P337-V364 HydrophobicContact CB-CG2 4.27Å; P337-V364 HydrophobicContact CG-CG1 4.47Å; P337-V364 HydrophobicContact CG-CG2 3.94Å; L340-V364 HydrophobicContact CD2-CB 4.44Å; L340-V364 HydrophobicContact CD2-CG2 3.81Å |
| 365 | D | 83.3 | Confident | 84.4 | Confident | 46 Ų | 46 | 33 Ų | 33 | 25% | 0.246 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -40.8 | 173.2 | -67 | -38.5 | 0 | 0 | 0 | 111.2 | R339 S341 V363 | R339-D365 HydrophobicContact CB-CB 4.3Å; R339-D365 HydrophobicContact CG-CB 4.17Å; R339-D365 IonicContact NE-OD2 3.41Å; R339-D365 PolarHBondContact O-N 2.89Å; S341-D365 WeakPolarHBondContact CB-OD2 3.01Å; S341-D365 PolarHBondContact N-OD2 2.03Å; S341-D365 VanDerWaalsContact OG-CG 3.28Å; S341-D365 PolarHBondContact OG-OD1 2.88Å; S341-D365 PolarHBondContact OG-OD2 3.11Å; V363-D365 PolarHBondContact O-N 3.24Å |
| 366 | E | 82.5 | Confident | 83.8 | Confident | 48 Ų | 48 | 34.9 Ų | 34.9 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 149.1 | -176.7 | -62.6 | 179.5 | 178 | 0 | 0 | 111.8 | A338 R339 | A338-E366 HydrophobicContact CB-CB 4.41Å; A338-E366 PolarHBondContact N-O 3.48Å; R339-E366 HydrophobicContact CB-CB 3.93Å; R339-E366 HydrophobicContact CB-CG 4.22Å; R339-E366 IonicContact CZ-OE1 3.1Å; R339-E366 PolarHBondContact N-O 2.97Å; R339-E366 IonicContact NE-OE1 3.61Å; R339-E366 IonicContact NH1-OE1 3.77Å; R339-E366 PolarHBondContact NH1-OE1 2.84Å; R339-E366 IonicContact NH2-OE1 2.66Å; R339-E366 PolarHBondContact NH2-OE1 3.04Å; R339-E366 PolarHBondContact O-N 2.9Å |
| 367 | C | 84.9 | Confident | 83.2 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 10% | 0.101 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 151 | 175.5 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | A267 C294 V336 | A267-C367 WeakPolarHBondContact CA-SG 3.37Å; A267-C367 PolarHBondContact N-SG 2.98Å; A267-C367 VanDerWaalsContact N-SG 3.38Å; C294-C367 WeakPolarHBondContact CA-SG 3.37Å; C294-C367 HydrophobicContact CB-CB 3.8Å; C294-C367 WeakPolarHBondContact CB-SG 3.23Å; C294-C367 WeakPolarHBondContact SG-CB 3.39Å; C294-C367 CovalentContact SG-SG 2.03Å; C294-C367 PolarHBondContact SG-SG 2.97Å; V336-C367 WeakPolarHBondContact O-CA 3.46Å |
| 368 | G | 81.9 | Confident | 82.7 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 12% | 0.124 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 171.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V336 | V336-G368 PolarHBondContact N-O 2.93Å; V336-G368 PolarHBondContact O-N 2.91Å; V336-G368 VanDerWaalsContact O-O 3.12Å |
| 369 | C | 79.4 | Confident | 82.6 | Confident | 33 Ų | 33 | 40.3 Ų | 40.3 | 22% | 0.223 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.6 | -178.7 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | C298 A316 P333 C334 | C298-C369 HydrophobicContact CB-CB 3.62Å; C298-C369 WeakPolarHBondContact CB-SG 3.3Å; C298-C369 VanDerWaalsContact SG-CA 3.51Å; C298-C369 WeakPolarHBondContact SG-CB 3.12Å; C298-C369 CovalentContact SG-SG 2.03Å; C298-C369 PolarHBondContact SG-SG 3.08Å; A316-C369 WeakPolarHBondContact CB-O 3.37Å; P333-C369 HydrophobicContact CB-CB 4.21Å; P333-C369 HydrophobicContact CG-CB 4.49Å; C334-C369 WeakPolarHBondContact O-CA 3.28Å |
| 370 | R | 73.4 | Confident | 82.5 | Confident | 139 Ų | 139 | 43.4 Ų | 43.4 | 53% | 0.525 | 22% | 0.219 | S | C | . | . | trans | -137.4 | 0 | -179 | -68.8 | -168.8 | 176.2 | -152.9 | 4.5 | 113.7 | L313 R319 P333 C334 V336 | L313-R370 HydrophobicContact CD1-CG 4.26Å; R319-R370 PolarHBondContact NH1-OXT 3.45Å; P333-R370 CarbonylContact C-O 3.45Å; P333-R370 VanDerWaalsContact CA-O 3.23Å; P333-R370 WeakPolarHBondContact CA-O 3.43Å; P333-R370 WeakPolarHBondContact CB-O 3.46Å; C334-R370 PolarHBondContact N-O 3.24Å; C334-R370 PolarHBondContact O-N 3.45Å; C334-R370 VanDerWaalsContact O-N 3.11Å; V336-R370 HydrophobicContact CG2-CB 3.86Å; V336-R370 HydrophobicContact CG2-CG 3.87Å |
Retrieved 370 of 370 residues in 658.9 ms
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