| 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 | 33.1 | Very low | 33.8 | Very low | 236 Ų | 236 | 163.9 Ų | 163.9 | 100% | 1.163 | 82% | 0.819 | S | S | * | * | 0 | 100.7 | 0 | -158.9 | 176.8 | -151.4 | 0 | 0 | 107.3 | |||||
| 2 | F | 38.4 | Very low | 34.5 | Very low | 191 Ų | 191 | 160.5 Ų | 160.5 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | cis | -74.7 | -113.3 | 10.9 | -73.6 | -103.8 | 0 | 0 | 0 | 114.4 | ||||
| 3 | L | 38.3 | Very low | 34.4 | Very low | 149 Ų | 149 | 162.2 Ų | 162.2 | 78% | 0.78 | 82% | 0.82 | S | S | * | * | trans | -80.9 | 157.1 | -153 | -109.8 | 62.3 | 0 | 0 | 0 | 114.2 | ||||
| 4 | Q | 33.9 | Very low | 34.2 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | cis | 73 | 150.1 | 11.6 | -51 | -157.9 | -75.5 | 0 | 0 | 116.7 | ||||
| 5 | F | 32.7 | Very low | 34.1 | Very low | 182 Ų | 182 | 155.1 Ų | 155.1 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | cis | -167.9 | 158.5 | -30 | -123 | -83 | 0 | 0 | 0 | 106.7 | ||||
| 6 | A | 32.1 | Very low | 34 | Very low | 85 Ų | 85 | 154.7 Ų | 154.7 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | 55.8 | 140.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 7 | V | 33.2 | Very low | 34.1 | Very low | 133 Ų | 133 | 154.5 Ų | 154.5 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | cis | 101.5 | 100.8 | 22.6 | 176.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 8 | W | 30.3 | Very low | 34.1 | Very low | 234 Ų | 234 | 150.8 Ų | 150.8 | 89% | 0.886 | 80% | 0.799 | S | S | * | * | trans | 88.2 | 156.5 | 140.8 | -105.4 | 24 | 0 | 0 | 0 | 125.4 | ||||
| 9 | K | 28 | Very low | 34.1 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | 76.7 | 137 | 172.2 | -60.7 | -176.3 | -177.2 | -179.7 | 0 | 116.7 | ||||
| 10 | C | 29.5 | Very low | 34 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | cis | -155.4 | 168.5 | -0.9 | -118.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 11 | L | 42.3 | Very low | 34.1 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -59.3 | 162.6 | 166 | -83.5 | 119 | 0 | 0 | 0 | 112.5 | ||||
| 12 | P | 41.9 | Very low | 34.2 | Very low | 123 Ų | 123 | 144 Ų | 144 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | cis | -142.3 | -158.3 | 39.5 | 43.6 | -22.8 | 0 | 0 | 0 | 116.8 | ||||
| 13 | H | 34 | Very low | 34.1 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -68.3 | 154.9 | -172.8 | -45.9 | -38.3 | 0 | 0 | 0 | 115.5 | ||||
| 14 | G | 31.4 | Very low | 33.7 | Very low | 64 Ų | 64 | 138.1 Ų | 138.1 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | trans | 136.1 | 123.2 | 131.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 15 | I | 32.6 | Very low | 33.7 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 80% | 0.795 | 78% | 0.782 | S | S | * | * | 68.6 | 95.5 | 123.6 | -66.7 | 173.6 | 0 | 0 | 0 | 118.3 | |||||
| 16 | L | 32 | Very low | 33.7 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | 71 | 146.7 | 121.3 | -80.5 | 163.3 | 0 | 0 | 0 | 123.7 | |||||
| 17 | I | 35.5 | Very low | 33.7 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | 88.9 | 140.2 | 147.3 | -73.9 | 156.1 | 0 | 0 | 0 | 120.4 | ||||
| 18 | A | 34.6 | Very low | 34 | Very low | 88 Ų | 88 | 148.2 Ų | 148.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 77.3 | 111.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 19 | S | 33.7 | Very low | 35.1 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | cis | 115.1 | 132.1 | -3.7 | 88.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 20 | L | 33.1 | Very low | 36.8 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | 77.2 | 158.3 | 148 | -68 | 164 | 0 | 0 | 0 | 121.2 | ||||
| 21 | L | 36 | Very low | 38.8 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | 86.3 | 143.1 | -160.4 | -57.2 | 170.1 | 0 | 0 | 0 | 113 | ||||
| 22 | V | 35.9 | Very low | 40.5 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | cis | -160 | 124.8 | -30 | 123.1 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 23 | V | 34.5 | Very low | 42.1 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 74% | 0.739 | 68% | 0.681 | S | S | * | * | 93.6 | 115.8 | 52.1 | 169.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 24 | S | 31.6 | Very low | 43.8 | Very low | 96 Ų | 96 | 118.1 Ų | 118.1 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | trans | 91.9 | 156.1 | 152.8 | 80.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 25 | W | 33.1 | Very low | 45.6 | Very low | 258 Ų | 258 | 118.1 Ų | 118.1 | 98% | 0.977 | 64% | 0.643 | S | S | * | * | trans | 74.6 | 124.4 | 178.8 | -55.5 | 16.7 | 0 | 0 | 0 | 114.9 | ||||
| 26 | G | 31.9 | Very low | 47.5 | Very low | 79 Ų | 79 | 116.1 Ų | 116.1 | 81% | 0.814 | 63% | 0.626 | S | S | * | * | cis | -167.8 | 152.5 | -7.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 27 | Q | 32.9 | Very low | 48.8 | Very low | 190 Ų | 190 | 113.3 Ų | 113.3 | 89% | 0.888 | 63% | 0.632 | S | S | * | * | trans | -85.3 | 133.5 | -176.8 | -61.9 | 159.1 | -91.4 | 0 | 0 | 111.6 | ||||
| 28 | Y | 40.3 | Very low | 49.9 | Very low | 235 Ų | 235 | 108.6 Ų | 108.6 | 92% | 0.922 | 62% | 0.621 | S | S | * | * | trans | 177.8 | 44 | 147.7 | -101.1 | -61.4 | 0 | 0 | 0 | 114.2 | ||||
| 29 | D | 53.1 | Low | 51.1 | Low | 108 Ų | 108 | 108.7 Ų | 108.7 | 58% | 0.578 | 61% | 0.614 | S | S | * | * | trans | -164.2 | 104.7 | 169.9 | -115.8 | -28.5 | 0 | 0 | 0 | 111.8 | K33 | D29-K33 PolarHBondContact O-NZ 3.46Š| ||
| 30 | D | 63.6 | Low | 52.6 | Low | 73 Ų | 73 | 109.2 Ų | 109.2 | 39% | 0.39 | 62% | 0.616 | S | S | . | * | trans | -149.2 | -2.4 | -167.3 | -127.4 | 39.2 | 0 | 0 | 0 | 117.9 | K33 K63 | D30-K33 WeakPolarHBondContact OD1-CD 3.47Å; D30-K33 WeakPolarHBondContact OD1-CE 3.21Å; D30-K33 IonicContact OD1-NZ 3.93Å; D30-K33 PolarHBondContact OD1-NZ 3.17Å; D30-K63 WeakPolarHBondContact O-CD 3.36Å; D30-K63 IonicContact OD2-NZ 3.46Å; D30-K63 PolarHBondContact OD2-NZ 2.98Å | ||
| 31 | D | 70.9 | Confident | 54.5 | Low | 42 Ų | 42 | 102.4 Ų | 102.4 | 23% | 0.225 | 58% | 0.582 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -75.5 | 152.4 | 176.2 | -69.3 | -31.2 | 0 | 0 | 0 | 112.1 | K33 I73 N122 K124 | D31-K33 VanDerWaalsContact C-N 3.27Å; D31-K33 PolarHBondContact O-N 3.03Å; D31-I73 HydrophobicContact CB-CG2 4.42Å; D31-N122 HydrophobicContact CB-CB 4.36Å; D31-N122 PolarHBondContact O-ND2 2.78Å; D31-K124 WeakPolarHBondContact OD2-CD 3.43Å; D31-K124 WeakPolarHBondContact OD2-CE 3.28Å; D31-K124 IonicContact OD2-NZ 3.73Å; D31-K124 PolarHBondContact OD2-NZ 2.75Å |
| 32 | C | 77.7 | Confident | 56.6 | Low | 0 Ų | 0 | 95.1 Ų | 95.1 | 0% | 0 | 55% | 0.545 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 12.7 | -167.5 | -83.1 | 0 | 0 | 0 | 0 | 116.5 | K63 I73 C120 V121 N122 I129 H131 | C32-K63 PolarHBondContact N-O 2.94Å; C32-I73 HydrophobicContact CB-CG2 4.45Å; C32-I73 VanDerWaalsContact SG-CG2 3.5Å; C32-C120 WeakPolarHBondContact CA-SG 3.33Å; C32-C120 HydrophobicContact CB-CB 3.82Å; C32-C120 WeakPolarHBondContact CB-SG 3.42Å; C32-C120 WeakPolarHBondContact SG-CB 3.3Å; C32-C120 CovalentContact SG-SG 2.04Å; C32-C120 PolarHBondContact SG-SG 2.83Å; C32-V121 VanDerWaalsContact SG-C 3.51Å; C32-N122 HydrophobicContact CB-CB 4.17Å; C32-I129 HydrophobicContact CB-CD1 4.03Å; C32-I129 HydrophobicContact CB-CG1 4.46Å; C32-I129 WeakPolarHBondContact O-CD1 3.2Å; C32-H131 PolarHBondContact O-CE1 2.79Å; C32-H131 VanDerWaalsContact O-CE1 3.24Å |
| 33 | K | 75.3 | Confident | 58.8 | Low | 92 Ų | 92 | 95.5 Ų | 95.5 | 40% | 0.4 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -94.8 | 151.9 | 169.1 | -59.4 | -179 | -164.2 | 165.8 | 0 | 111.4 | D29 D30 D31 K63 | D29-K33 PolarHBondContact O-NZ 3.46Å; D30-K33 WeakPolarHBondContact OD1-CD 3.47Å; D30-K33 WeakPolarHBondContact OD1-CE 3.21Å; D30-K33 IonicContact OD1-NZ 3.93Å; D30-K33 PolarHBondContact OD1-NZ 3.17Å; D31-K33 VanDerWaalsContact C-N 3.27Å; D31-K33 PolarHBondContact O-N 3.03Å; K33-K63 WeakPolarHBondContact O-CB 3.27Å; K33-K63 WeakPolarHBondContact O-CG 3.18Å; K33-K63 PolarHBondContact O-N 3.15Å |
| 34 | L | 70.6 | Confident | 61.1 | Low | 35 Ų | 35 | 90.6 Ų | 90.6 | 18% | 0.183 | 51% | 0.512 | C | S | . | . | B | Isolated β-bridge | trans | -58.2 | 136.8 | 165.5 | -74.3 | 168 | 0 | 0 | 0 | 110.8 | R36 M60 I62 | L34-R36 VanDerWaalsContact C-N 3.25Å; L34-R36 HydrophobicContact CB-CG 4.38Å; L34-M60 VanDerWaalsContact CD2-O 3.29Å; L34-M60 WeakPolarHBondContact CD2-O 3.24Å; L34-I62 HydrophobicContact CD2-CG1 4.47Å |
| 35 | A | 69.7 | Low | 63.7 | Low | 64 Ų | 64 | 88.9 Ų | 88.9 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -76.6 | -13.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | L61 K63 | A35-L61 HydrophobicContact CB-CB 4.41Å; A35-L61 VanDerWaalsContact CB-O 3.32Å; A35-L61 WeakPolarHBondContact CB-O 3.42Å; A35-L61 PolarHBondContact N-O 3.41Å; A35-K63 HydrophobicContact CB-CG 4.07Å |
| 36 | R | 71.5 | Confident | 66.3 | Low | 113 Ų | 113 | 77 Ų | 77 | 43% | 0.426 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -99.9 | 139.4 | 173.9 | 64.2 | 179.7 | -179.4 | -175.7 | -2.4 | 111.6 | L34 T42 | L34-R36 VanDerWaalsContact C-N 3.25Å; L34-R36 HydrophobicContact CB-CG 4.38Å; R36-T42 PolarHBondContact NH2-OG1 3.2Å |
| 37 | G | 59 | Low | 68.9 | Low | 88 Ų | 88 | 76 Ų | 76 | 91% | 0.907 | 44% | 0.435 | S | S | * | . | trans | -76.6 | 125.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 38 | G | 59.8 | Low | 71.5 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 55% | 0.546 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 178.7 | -176.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 39 | P | 59.1 | Low | 73.6 | Confident | 90 Ų | 90 | 61.4 Ų | 61.4 | 58% | 0.584 | 38% | 0.375 | S | S | * | . | trans | -60.8 | 154.6 | 173.1 | 27.1 | -34.5 | 0 | 0 | 0 | 111.5 | A41 | P39-A41 PolarHBondContact O-N 2.88Å; P39-A41 VanDerWaalsContact O-N 3.11Å | ||
| 40 | P | 64.7 | Low | 75.2 | Confident | 111 Ų | 111 | 57.1 Ų | 57.1 | 72% | 0.721 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -70.2 | -3.9 | -178.6 | 29.9 | -36.5 | 0 | 0 | 0 | 114.3 | ||
| 41 | A | 73.3 | Confident | 76.2 | Confident | 17 Ų | 17 | 63.9 Ų | 63.9 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 143 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P39 E132 | P39-A41 PolarHBondContact O-N 2.88Å; P39-A41 VanDerWaalsContact O-N 3.11Å; A41-E132 CarbonylContact C-O 3.55Å; A41-E132 VanDerWaalsContact CA-O 3.27Å; A41-E132 WeakPolarHBondContact CA-O 3.28Å; A41-E132 HydrophobicContact CB-CB 3.87Å; A41-E132 HydrophobicContact CB-CG 4.3Å |
| 42 | T | 79.6 | Confident | 76.9 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 9% | 0.092 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130 | 170 | -59.1 | 0 | 0 | 0 | 0 | 109.2 | R36 V44 V57 E132 V133 R134 | R36-T42 PolarHBondContact NH2-OG1 3.2Å; T42-V44 HydrophobicContact CG2-CG2 4.41Å; T42-V57 HydrophobicContact CG2-CG2 4.27Å; T42-E132 PolarHBondContact N-O 2.62Å; T42-V133 HydrophobicContact CG2-CG1 4.49Å; T42-V133 CarbonylContact O-C 3.58Å; T42-V133 WeakPolarHBondContact O-CA 3.12Å; T42-R134 PolarHBondContact O-N 2.83Å |
| 43 | I | 81.9 | Confident | 77.2 | Confident | 124 Ų | 124 | 67.8 Ų | 67.8 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.5 | 176.9 | -55.6 | 177.1 | 0 | 0 | 0 | 109 | R134 V136 | I43-R134 CarbonylContact C-O 3.59Å; I43-R134 WeakPolarHBondContact CA-O 3.16Å; I43-V136 HydrophobicContact CG2-CG2 4.21Å |
| 44 | V | 84.6 | Confident | 77.8 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 12% | 0.121 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.5 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | T42 I46 L56 V57 V133 R134 I135 V136 | T42-V44 HydrophobicContact CG2-CG2 4.41Å; V44-I46 HydrophobicContact CG1-CG2 4.36Å; V44-L56 HydrophobicContact CG1-CD2 4.44Å; V44-L56 VanDerWaalsContact CG1-O 3.23Å; V44-L56 WeakPolarHBondContact CG1-O 3.22Å; V44-L56 VanDerWaalsContact CG2-O 3.23Å; V44-L56 WeakPolarHBondContact CG2-O 3.3Å; V44-V57 HydrophobicContact CG2-CG2 3.76Å; V44-V133 HydrophobicContact CG2-CG1 4.48Å; V44-R134 PolarHBondContact N-O 3.2Å; V44-I135 HydrophobicContact CB-CG1 4.35Å; V44-I135 CarbonylContact O-C 3.6Å; V44-I135 WeakPolarHBondContact O-CA 3.39Å; V44-V136 PolarHBondContact O-N 2.86Å |
| 45 | A | 85.1 | Confident | 78.6 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 49% | 0.488 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V136 R138 | A45-V136 WeakPolarHBondContact CA-O 3.37Å; A45-R138 HydrophobicContact CB-CG 4.34Å |
| 46 | I | 88.4 | Confident | 79.4 | Confident | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.051 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.3 | 174.8 | 57.4 | 179 | 0 | 0 | 0 | 109.1 | V44 L56 L96 L103 I135 V136 V137 R138 | V44-I46 HydrophobicContact CG1-CG2 4.36Å; I46-L56 HydrophobicContact CD1-CD2 4.04Å; I46-L56 HydrophobicContact CG2-CD2 3.82Å; I46-L96 HydrophobicContact CD1-CD1 4.12Å; I46-L96 HydrophobicContact CD1-CD2 4.15Å; I46-L103 HydrophobicContact CD1-CD2 3.38Å; I46-L103 HydrophobicContact CG1-CD2 3.97Å; I46-I135 HydrophobicContact CD1-CG2 3.53Å; I46-I135 HydrophobicContact CG1-CG2 3.76Å; I46-V136 PolarHBondContact N-O 2.89Å; I46-V137 CarbonylContact O-C 3.54Å; I46-V137 WeakPolarHBondContact O-CA 3.18Å; I46-R138 PolarHBondContact O-N 2.81Å |
| 47 | D | 86.2 | Confident | 80 | Confident | 58 Ų | 58 | 61 Ų | 61 | 31% | 0.31 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 153.7 | 171.1 | -55 | -53.1 | 0 | 0 | 0 | 110.1 | S50 R138 | D47-S50 WeakPolarHBondContact O-CB 3.22Å; D47-S50 PolarHBondContact O-N 2.81Å; D47-S50 PolarHBondContact O-OG 2.79Å; D47-R138 IonicContact OD1-CZ 2.69Å; D47-R138 IonicContact OD1-NE 3.77Å; D47-R138 PolarHBondContact OD1-NE 2.72Å; D47-R138 IonicContact OD1-NH2 2.61Å; D47-R138 PolarHBondContact OD1-NH2 2.88Å; D47-R138 IonicContact OD2-CZ 3.99Å; D47-R138 IonicContact OD2-NH2 3.98Å; D47-R138 PolarHBondContact OD2-NH2 3.14Å |
| 48 | E | 86.4 | Confident | 81.1 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 170.5 | 163.7 | 75.5 | -163.2 | 117.5 | 0 | 0 | 111.8 | S50 L103 R105 V137 R138 D139 R140 | E48-S50 PolarHBondContact O-N 2.86Å; E48-L103 WeakPolarHBondContact CB-O 3.36Å; E48-R105 HydrophobicContact CB-CB 4.48Å; E48-R105 WeakPolarHBondContact OE2-CB 3.08Å; E48-R105 PolarHBondContact OE2-N 2.92Å; E48-V137 HydrophobicContact CB-CG1 3.76Å; E48-R138 PolarHBondContact N-O 2.84Å; E48-D139 WeakPolarHBondContact OE1-CA 3.4Å; E48-R140 HydrophobicContact CG-CB 4.41Å; E48-R140 HydrophobicContact CG-CG 3.94Å; E48-R140 PolarHBondContact OE1-N 2.63Å |
| 49 | E | 84.9 | Confident | 82.2 | Confident | 105 Ų | 105 | 63.5 Ų | 63.5 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 7.7 | -162.7 | -56 | -171.1 | 94.9 | 0 | 0 | 115.1 | R51 V102 L103 R140 | E49-R51 PolarHBondContact O-N 2.94Å; E49-V102 HydrophobicContact CG-CG1 4.42Å; E49-L103 PolarHBondContact N-O 3.36Å; E49-R140 IonicContact OE2-CZ 3.73Å; E49-R140 IonicContact OE2-NH1 2.65Å; E49-R140 PolarHBondContact OE2-NH1 2.84Å |
| 50 | S | 85.9 | Confident | 83.1 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -52 | 124 | -175.6 | -89.3 | 0 | 0 | 0 | 0 | 112.7 | D47 E48 L96 S98 | D47-S50 WeakPolarHBondContact O-CB 3.22Å; D47-S50 PolarHBondContact O-N 2.81Å; D47-S50 PolarHBondContact O-OG 2.79Å; E48-S50 PolarHBondContact O-N 2.86Å; S50-L96 WeakPolarHBondContact O-CD2 3.44Å; S50-S98 PolarHBondContact O-OG 2.92Å |
| 51 | R | 85.5 | Confident | 83.9 | Confident | 214 Ų | 214 | 57.9 Ų | 57.9 | 81% | 0.808 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 143 | -173.3 | -63.3 | -177.3 | -178.5 | -176.9 | 0.8 | 111.6 | E49 G53 T54 | E49-R51 PolarHBondContact O-N 2.94Å; R51-G53 PolarHBondContact O-N 3.12Å; R51-T54 WeakPolarHBondContact O-CB 3.19Å; R51-T54 PolarHBondContact O-N 3.24Å; R51-T54 VanDerWaalsContact O-N 3.13Å; R51-T54 PolarHBondContact O-OG1 2.68Å |
| 52 | N | 85.5 | Confident | 84.2 | Confident | 84 Ų | 84 | 57.4 Ų | 57.4 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 133.7 | 175.8 | -177.3 | 53.7 | 0 | 0 | 0 | 111.8 | L96 N97 S98 T99 | N52-L96 PolarHBondContact OD1-O 3.25Å; N52-N97 WeakPolarHBondContact OD1-CA 3.16Å; N52-S98 WeakPolarHBondContact CA-OG 3.3Å; N52-S98 WeakPolarHBondContact CB-OG 3.45Å; N52-S98 PolarHBondContact N-OG 3.45Å; N52-S98 VanDerWaalsContact N-OG 3.14Å; N52-S98 PolarHBondContact OD1-N 2.77Å; N52-T99 WeakPolarHBondContact ND2-CG2 3.49Å |
| 53 | G | 83.8 | Confident | 84.2 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 42% | 0.423 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 4.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R51 I55 L96 | R51-G53 PolarHBondContact O-N 3.12Å; G53-I55 PolarHBondContact O-N 3.2Å; G53-L96 WeakPolarHBondContact CA-O 3.01Å; G53-L96 PolarHBondContact N-O 3.06Å |
| 54 | T | 87.6 | Confident | 84 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 29% | 0.288 | 30% | 0.3 | S | S | . | . | trans | -56.4 | 135.1 | 172.3 | -66.3 | 0 | 0 | 0 | 0 | 110.9 | R51 L56 F95 L96 | R51-T54 WeakPolarHBondContact O-CB 3.19Å; R51-T54 PolarHBondContact O-N 3.24Å; R51-T54 VanDerWaalsContact O-N 3.13Å; R51-T54 PolarHBondContact O-OG1 2.68Å; T54-L56 PolarHBondContact O-N 2.9Å; T54-F95 CarbonylContact O-C 3.59Å; T54-F95 WeakPolarHBondContact O-CA 3.43Å; T54-L96 PolarHBondContact O-N 3.1Å | ||
| 55 | I | 87.6 | Confident | 83.9 | Confident | 95 Ų | 95 | 57.9 Ų | 57.9 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 123 | -179 | -58.1 | 172.6 | 0 | 0 | 0 | 108.8 | G53 M93 F95 | G53-I55 PolarHBondContact O-N 3.2Å; I55-M93 HydrophobicContact CD1-CE 3.99Å; I55-M93 HydrophobicContact CG1-CE 4.22Å; I55-M93 HydrophobicContact CG2-CE 3.86Å; I55-F95 HydrophobicContact CG1-CD1 4.04Å; I55-F95 HydrophobicContact CG1-CE1 3.91Å |
| 56 | L | 86.1 | Confident | 83.5 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -44.1 | 176.6 | -63 | 169.8 | 0 | 0 | 0 | 111.2 | V44 I46 T54 V85 L94 F95 L96 I135 | V44-L56 HydrophobicContact CG1-CD2 4.44Å; V44-L56 VanDerWaalsContact CG1-O 3.23Å; V44-L56 WeakPolarHBondContact CG1-O 3.22Å; V44-L56 VanDerWaalsContact CG2-O 3.23Å; V44-L56 WeakPolarHBondContact CG2-O 3.3Å; I46-L56 HydrophobicContact CD1-CD2 4.04Å; I46-L56 HydrophobicContact CG2-CD2 3.82Å; T54-L56 PolarHBondContact O-N 2.9Å; L56-V85 HydrophobicContact CD1-CB 4.47Å; L56-V85 HydrophobicContact CD1-CG1 4.04Å; L56-V85 HydrophobicContact CD1-CG2 4Å; L56-L94 HydrophobicContact CB-CB 4.08Å; L56-L94 PolarHBondContact N-O 2.92Å; L56-F95 VanDerWaalsContact CD1-C 3.42Å; L56-L96 HydrophobicContact CD1-CB 4.25Å; L56-L96 HydrophobicContact CD2-CB 4.14Å; L56-L96 HydrophobicContact CG-CB 4.15Å; L56-I135 HydrophobicContact CD1-CD1 3.69Å; L56-I135 HydrophobicContact CD1-CG1 4.41Å; L56-I135 HydrophobicContact CD2-CD1 4.27Å; L56-I135 HydrophobicContact CD2-CG1 4.24Å; L56-I135 HydrophobicContact CD2-CG2 3.94Å |
| 57 | V | 83.9 | Confident | 82.7 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 6% | 0.055 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 126.5 | 175.2 | -179 | 0 | 0 | 0 | 0 | 108.9 | T42 V44 M60 M93 L94 V133 | T42-V57 HydrophobicContact CG2-CG2 4.27Å; V44-V57 HydrophobicContact CG2-CG2 3.76Å; V57-M60 HydrophobicContact CB-CG 4.49Å; V57-M60 HydrophobicContact CG1-CG 3.78Å; V57-M93 CarbonylContact O-C 3.55Å; V57-M93 VanDerWaalsContact O-CA 3.27Å; V57-M93 WeakPolarHBondContact O-CA 3.39Å; V57-M93 WeakPolarHBondContact O-CB 3.47Å; V57-L94 HydrophobicContact CB-CB 4.04Å; V57-L94 HydrophobicContact CB-CD1 4.31Å; V57-L94 HydrophobicContact CB-CG 4.25Å; V57-L94 HydrophobicContact CG2-CB 4.3Å; V57-L94 HydrophobicContact CG2-CD1 3.96Å; V57-L94 HydrophobicContact CG2-CG 4.42Å; V57-L94 PolarHBondContact N-O 3.46Å; V57-L94 VanDerWaalsContact N-O 3.14Å; V57-L94 PolarHBondContact O-N 2.83Å; V57-V133 HydrophobicContact CG2-CG1 4.31Å |
| 58 | D | 83.7 | Confident | 81.9 | Confident | 123 Ų | 123 | 57.6 Ų | 57.6 | 66% | 0.658 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -83 | -32.4 | 179.8 | 67.2 | -38.8 | 0 | 0 | 0 | 112.9 | M93 | D58-M93 WeakPolarHBondContact O-CG 3.38Š|
| 59 | N | 82.3 | Confident | 81.5 | Confident | 70 Ų | 70 | 63.1 Ų | 63.1 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | trans | -159.2 | 120.1 | 170.3 | -171.1 | -20.7 | 0 | 0 | 0 | 110.9 | L61 | N59-L61 HydrophobicContact CB-CD2 4.48Å; N59-L61 PolarHBondContact O-N 3.28Å; N59-L61 PolarHBondContact OD1-N 3.15Å | ||
| 60 | M | 78.3 | Confident | 81.1 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.03 | 38% | 0.378 | C | S | . | . | trans | -71.1 | -10.1 | 177.4 | -66.7 | -178.4 | -71.4 | 0 | 0 | 114.5 | L34 V57 I62 L75 L87 Q92 L94 V118 | L34-M60 VanDerWaalsContact CD2-O 3.29Å; L34-M60 WeakPolarHBondContact CD2-O 3.24Å; V57-M60 HydrophobicContact CB-CG 4.49Å; V57-M60 HydrophobicContact CG1-CG 3.78Å; M60-I62 VanDerWaalsContact C-N 3.27Å; M60-I62 HydrophobicContact CB-CD1 4.04Å; M60-I62 HydrophobicContact CB-CG1 4.02Å; M60-I62 HydrophobicContact CE-CD1 4.42Å; M60-I62 PolarHBondContact O-N 2.89Å; M60-I62 HydrophobicContact SD-CD1 4.44Å; M60-L75 HydrophobicContact CE-CD1 4.15Å; M60-L87 HydrophobicContact CE-CD1 3.54Å; M60-Q92 HydrophobicContact CB-CB 4.2Å; M60-Q92 HydrophobicContact CE-CB 3.91Å; M60-Q92 WeakPolarHBondContact CG-O 3.35Å; M60-Q92 PolarHBondContact N-O 3.41Å; M60-L94 HydrophobicContact SD-CD1 4.16Å; M60-L94 HydrophobicContact SD-CD2 4.44Å; M60-L94 HydrophobicContact SD-CG 4.17Å; M60-V118 HydrophobicContact CE-CG1 4.05Å; M60-V118 HydrophobicContact SD-CB 4.22Å; M60-V118 HydrophobicContact SD-CG1 3.91Å; M60-V118 HydrophobicContact SD-CG2 3.76Å | ||
| 61 | L | 81 | Confident | 80.7 | Confident | 76 Ų | 76 | 65.9 Ų | 65.9 | 40% | 0.398 | 39% | 0.387 | S | S | . | . | trans | 56.6 | 34.8 | 176.7 | -61.6 | 170.4 | 0 | 0 | 0 | 113.9 | A35 N59 | A35-L61 HydrophobicContact CB-CB 4.41Å; A35-L61 VanDerWaalsContact CB-O 3.32Å; A35-L61 WeakPolarHBondContact CB-O 3.42Å; A35-L61 PolarHBondContact N-O 3.41Å; N59-L61 HydrophobicContact CB-CD2 4.48Å; N59-L61 PolarHBondContact O-N 3.28Å; N59-L61 PolarHBondContact OD1-N 3.15Å | ||
| 62 | I | 80.5 | Confident | 80.6 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 126.6 | 176.5 | -56.6 | 171.8 | 0 | 0 | 0 | 109 | L34 M60 G64 I73 L75 Q92 V118 C120 | L34-I62 HydrophobicContact CD2-CG1 4.47Å; M60-I62 VanDerWaalsContact C-N 3.27Å; M60-I62 HydrophobicContact CB-CD1 4.04Å; M60-I62 HydrophobicContact CB-CG1 4.02Å; M60-I62 HydrophobicContact CE-CD1 4.42Å; M60-I62 PolarHBondContact O-N 2.89Å; M60-I62 HydrophobicContact SD-CD1 4.44Å; I62-G64 PolarHBondContact O-N 2.84Å; I62-G64 VanDerWaalsContact O-N 3.16Å; I62-I73 HydrophobicContact CG2-CD1 4.16Å; I62-L75 HydrophobicContact CD1-CD1 4.46Å; I62-L75 HydrophobicContact CD1-CD2 3.68Å; I62-Q92 PolarHBondContact O-NE2 3.19Å; I62-Q92 PolarHBondContact O-OE1 3.1Å; I62-V118 HydrophobicContact CD1-CG1 4.29Å; I62-C120 HydrophobicContact CG2-CB 4.46Å |
| 63 | K | 79.6 | Confident | 80.6 | Confident | 74 Ų | 74 | 52.9 Ų | 52.9 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -64.1 | 114.3 | 178.1 | -69.6 | -173.4 | -174.7 | -169.4 | 0 | 110.8 | D30 C32 K33 A35 | D30-K63 WeakPolarHBondContact O-CD 3.36Å; D30-K63 IonicContact OD2-NZ 3.46Å; D30-K63 PolarHBondContact OD2-NZ 2.98Å; C32-K63 PolarHBondContact N-O 2.94Å; K33-K63 WeakPolarHBondContact O-CB 3.27Å; K33-K63 WeakPolarHBondContact O-CG 3.18Å; K33-K63 PolarHBondContact O-N 3.15Å; A35-K63 HydrophobicContact CB-CG 4.07Å |
| 64 | G | 78.1 | Confident | 80.8 | Confident | 26 Ų | 26 | 55.6 Ų | 55.6 | 27% | 0.268 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 143.6 | 169.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I62 | I62-G64 PolarHBondContact O-N 2.84Å; I62-G64 VanDerWaalsContact O-N 3.16Å |
| 65 | T | 80.8 | Confident | 80.8 | Confident | 68 Ų | 68 | 54 Ų | 54 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | trans | -109.2 | 114.8 | 176.6 | 48.7 | 0 | 0 | 0 | 0 | 110 | D70 P71 T72 I73 | T65-D70 PolarHBondContact OG1-O 2.84Å; T65-P71 CarbonylContact O-C 3.58Å; T65-P71 WeakPolarHBondContact O-CA 3.07Å; T65-T72 PolarHBondContact N-OG1 2.78Å; T65-T72 PolarHBondContact O-N 2.78Å; T65-T72 PolarHBondContact OG1-N 3.1Å; T65-T72 PolarHBondContact OG1-OG1 2.87Å; T65-I73 PolarHBondContact O-N 3.28Å | ||
| 66 | A | 76.5 | Confident | 80.8 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 24% | 0.24 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -86.1 | -18.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | I73 P89 | A66-I73 HydrophobicContact CB-CG1 4.16Å; A66-P89 WeakPolarHBondContact CB-O 3.32Å |
| 67 | G | 71.6 | Confident | 80.9 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -128.7 | 165.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 68 | G | 70.9 | Confident | 81.1 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 61% | 0.608 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 113.4 | 177.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D70 | G68-D70 VanDerWaalsContact C-N 3.34Š|
| 69 | P | 77.1 | Confident | 81.1 | Confident | 129 Ų | 129 | 55.7 Ų | 55.7 | 84% | 0.838 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -68.1 | -33.2 | 179 | 27.2 | -33.7 | 0 | 0 | 0 | 112.8 | P71 | P69-P71 WeakPolarHBondContact O-CD 3.14Š|
| 70 | D | 76.3 | Confident | 81.3 | Confident | 133 Ų | 133 | 53.7 Ų | 53.7 | 71% | 0.711 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -116.2 | 83.6 | 176.1 | -69.1 | -62.5 | 0 | 0 | 0 | 110.3 | T65 G68 T72 | T65-D70 PolarHBondContact OG1-O 2.84Å; G68-D70 VanDerWaalsContact C-N 3.34Å; D70-T72 PolarHBondContact O-N 3.07Å |
| 71 | P | 78.8 | Confident | 81.2 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 31% | 0.305 | 35% | 0.354 | S | S | . | . | trans | -71.7 | 126.6 | 175.1 | 29 | -33.4 | 0 | 0 | 0 | 110.5 | T65 P69 K123 | T65-P71 CarbonylContact O-C 3.58Å; T65-P71 WeakPolarHBondContact O-CA 3.07Å; P69-P71 WeakPolarHBondContact O-CD 3.14Å; P71-K123 HydrophobicContact CG-CD 4.43Å | ||
| 72 | T | 82.2 | Confident | 81.1 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | trans | -99.5 | -18.6 | -176.3 | 56 | 0 | 0 | 0 | 0 | 113.4 | T65 D70 K123 | T65-T72 PolarHBondContact N-OG1 2.78Å; T65-T72 PolarHBondContact O-N 2.78Å; T65-T72 PolarHBondContact OG1-N 3.1Å; T65-T72 PolarHBondContact OG1-OG1 2.87Å; D70-T72 PolarHBondContact O-N 3.07Å; T72-K123 WeakPolarHBondContact O-CB 3.23Å; T72-K123 PolarHBondContact O-N 2.82Å | ||
| 73 | I | 86.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 166.9 | 173.2 | 62.4 | 170.9 | 0 | 0 | 0 | 111.2 | D31 C32 I62 T65 A66 L75 V121 N122 | D31-I73 HydrophobicContact CB-CG2 4.42Å; C32-I73 HydrophobicContact CB-CG2 4.45Å; C32-I73 VanDerWaalsContact SG-CG2 3.5Å; I62-I73 HydrophobicContact CG2-CD1 4.16Å; T65-I73 PolarHBondContact O-N 3.28Å; A66-I73 HydrophobicContact CB-CG1 4.16Å; I73-L75 HydrophobicContact CD1-CD1 4.38Å; I73-L75 HydrophobicContact CD1-CD2 4.33Å; I73-L75 HydrophobicContact CD1-CG 4.28Å; I73-V121 CarbonylContact C-O 3.6Å; I73-V121 WeakPolarHBondContact CA-O 3.49Å; I73-N122 HydrophobicContact CG2-CB 4.15Å |
| 74 | E | 87.1 | Confident | 81.6 | Confident | 98 Ų | 98 | 64.5 Ų | 64.5 | 46% | 0.458 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 138.6 | 168 | -175.2 | 168.2 | 125.9 | 0 | 0 | 109.3 | C120 V121 K123 | E74-C120 CarbonylContact O-C 3.56Å; E74-C120 WeakPolarHBondContact O-CA 3.46Å; E74-V121 HydrophobicContact CB-CB 4.25Å; E74-V121 PolarHBondContact N-O 3.16Å; E74-V121 PolarHBondContact O-N 3.02Å; E74-K123 WeakPolarHBondContact OE2-CE 3.41Å; E74-K123 IonicContact OE2-NZ 2.66Å; E74-K123 PolarHBondContact OE2-NZ 3.41Å |
| 75 | L | 87.4 | Confident | 82.1 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.8 | -175 | -63.6 | 175.9 | 0 | 0 | 0 | 110.2 | M60 I62 I73 L87 P89 Q92 V118 Q119 C120 | M60-L75 HydrophobicContact CE-CD1 4.15Å; I62-L75 HydrophobicContact CD1-CD1 4.46Å; I62-L75 HydrophobicContact CD1-CD2 3.68Å; I73-L75 HydrophobicContact CD1-CD1 4.38Å; I73-L75 HydrophobicContact CD1-CD2 4.33Å; I73-L75 HydrophobicContact CD1-CG 4.28Å; L75-L87 HydrophobicContact CB-CD2 4.34Å; L75-P89 HydrophobicContact CB-CB 4.06Å; L75-Q92 HydrophobicContact CD1-CB 4.44Å; L75-Q92 HydrophobicContact CD1-CG 3.83Å; L75-V118 HydrophobicContact CD2-CG1 4.22Å; L75-Q119 WeakPolarHBondContact CA-O 3.17Å; L75-C120 HydrophobicContact CD2-CB 3.77Å |
| 76 | S | 89.3 | Confident | 82.4 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 31% | 0.308 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 154.4 | 172.4 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | V118 Q119 | S76-V118 WeakPolarHBondContact O-CA 3.42Å; S76-Q119 PolarHBondContact N-O 3.41Å; S76-Q119 PolarHBondContact O-N 2.9Å |
| 77 | L | 88.3 | Confident | 83 | Confident | 45 Ų | 45 | 64.9 Ų | 64.9 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 142.4 | 174.7 | -86.8 | 167.7 | 0 | 0 | 0 | 111.5 | V85 L87 L94 V116 Q117 V118 | L77-V85 HydrophobicContact CD1-CB 4.48Å; L77-V85 HydrophobicContact CD1-CG1 4.21Å; L77-V85 HydrophobicContact CD2-CG1 4.45Å; L77-L87 HydrophobicContact CD1-CB 3.57Å; L77-L87 HydrophobicContact CG-CB 3.86Å; L77-L87 HydrophobicContact CG-CD2 4.18Å; L77-L94 HydrophobicContact CD2-CD2 4.34Å; L77-V116 HydrophobicContact CD2-CB 4.06Å; L77-V116 HydrophobicContact CD2-CG2 3.85Å; L77-Q117 CarbonylContact C-O 3.58Å; L77-V118 HydrophobicContact CD2-CG2 4.08Å |
| 78 | K | 86.2 | Confident | 83.8 | Confident | 93 Ų | 93 | 64.8 Ų | 64.8 | 40% | 0.404 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 156.3 | 173.7 | -79 | -72.3 | -174.2 | 175.4 | 0 | 108.6 | N80 Q117 Q119 Y130 | K78-N80 PolarHBondContact O-N 2.73Å; K78-Q117 HydrophobicContact CB-CB 3.78Å; K78-Q117 PolarHBondContact N-O 3.01Å; K78-Q117 PolarHBondContact O-N 2.9Å; K78-Q119 HydrophobicContact CG-CB 4.2Å; K78-Y130 HydrophobicContact CG-CE1 4.46Å |
| 79 | D | 84.9 | Confident | 84.4 | Confident | 91 Ų | 91 | 64.4 Ų | 64.4 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 56.4 | 18.8 | 174 | -47.9 | -15.1 | 0 | 0 | 0 | 115.4 | V81 Q117 | D79-V81 PolarHBondContact O-N 2.75Å; D79-Q117 WeakPolarHBondContact OD2-CG 3.03Å; D79-Q117 PolarHBondContact OD2-NE2 2.79Å |
| 80 | N | 86.1 | Confident | 84.7 | Confident | 29 Ų | 29 | 63.3 Ų | 63.3 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | trans | -75.8 | 66.5 | 177.2 | -173 | 28 | 0 | 0 | 0 | 111.4 | K78 Y83 W84 V85 V116 | K78-N80 PolarHBondContact O-N 2.73Å; N80-Y83 PolarHBondContact O-N 3.23Å; N80-W84 PolarHBondContact OD1-N 3.07Å; N80-V85 PolarHBondContact ND2-O 3.27Å; N80-V85 PolarHBondContact OD1-N 3.11Å; N80-V116 HydrophobicContact CB-CG1 4.06Å | ||
| 81 | V | 77.1 | Confident | 85.1 | Confident | 110 Ų | 110 | 62.9 Ų | 62.9 | 67% | 0.667 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -55.9 | 139.2 | 174.6 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | D79 Y83 | D79-V81 PolarHBondContact O-N 2.75Å; V81-Y83 PolarHBondContact O-N 3.46Å |
| 82 | D | 78.5 | Confident | 85.5 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 43% | 0.433 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | 58.1 | 6.1 | -177.5 | -86.1 | -68.9 | 0 | 0 | 0 | 117.4 | W84 R101 | D82-W84 VanDerWaalsContact C-N 3.29Å; D82-W84 PolarHBondContact O-N 2.98Å; D82-R101 IonicContact OD1-CZ 3.01Å; D82-R101 IonicContact OD1-NH1 2.69Å; D82-R101 PolarHBondContact OD1-NH1 2.92Å; D82-R101 IonicContact OD1-NH2 3.69Å; D82-R101 PolarHBondContact OD1-NH2 3.04Å |
| 83 | Y | 83.8 | Confident | 85.8 | Confident | 174 Ų | 174 | 61.6 Ų | 61.6 | 68% | 0.682 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | 60.9 | 29.2 | 177.3 | -52.6 | -88 | 0 | 0 | 0 | 114.9 | N80 V81 V85 N97 | N80-Y83 PolarHBondContact O-N 3.23Å; V81-Y83 PolarHBondContact O-N 3.46Å; Y83-V85 PolarHBondContact O-N 2.76Å; Y83-N97 WeakPolarHBondContact O-CB 3.16Å; Y83-N97 PolarHBondContact O-ND2 3.38Å |
| 84 | W | 86.4 | Confident | 85.9 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 10% | 0.095 | 31% | 0.314 | C | S | . | . | trans | -61.7 | -19.3 | 178.5 | -71.2 | 108.9 | 0 | 0 | 0 | 114.6 | N80 D82 N97 R101 L103 I111 I114 | N80-W84 PolarHBondContact OD1-N 3.07Å; D82-W84 VanDerWaalsContact C-N 3.29Å; D82-W84 PolarHBondContact O-N 2.98Å; W84-N97 PolarHBondContact O-N 3.32Å; W84-R101 HydrophobicContact CH2-CB 3.87Å; W84-R101 HydrophobicContact CZ3-CB 4.24Å; W84-L103 HydrophobicContact CZ3-CD1 4.36Å; W84-I111 HydrophobicContact CH2-CD1 4.12Å; W84-I111 HydrophobicContact CZ2-CD1 3.85Å; W84-I114 HydrophobicContact CB-CD1 3.93Å; W84-I114 HydrophobicContact CB-CG1 4.46Å; W84-I114 HydrophobicContact CB-CG2 4.02Å; W84-I114 HydrophobicContact CD2-CD1 4.15Å; W84-I114 HydrophobicContact CG-CD1 3.89Å; W84-I114 HydrophobicContact CG-CG1 4.32Å | ||
| 85 | V | 87.7 | Confident | 86.1 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.7 | -177.4 | -173.8 | 0 | 0 | 0 | 0 | 112 | L56 L77 N80 Y83 L94 F95 I114 V116 I135 | L56-V85 HydrophobicContact CD1-CB 4.47Å; L56-V85 HydrophobicContact CD1-CG1 4.04Å; L56-V85 HydrophobicContact CD1-CG2 4Å; L77-V85 HydrophobicContact CD1-CB 4.48Å; L77-V85 HydrophobicContact CD1-CG1 4.21Å; L77-V85 HydrophobicContact CD2-CG1 4.45Å; N80-V85 PolarHBondContact ND2-O 3.27Å; N80-V85 PolarHBondContact OD1-N 3.11Å; Y83-V85 PolarHBondContact O-N 2.76Å; V85-L94 HydrophobicContact CG1-CB 4.07Å; V85-L94 HydrophobicContact CG1-CD1 4.37Å; V85-L94 HydrophobicContact CG1-CD2 3.92Å; V85-L94 HydrophobicContact CG1-CG 4.35Å; V85-F95 WeakPolarHBondContact CA-O 3.3Å; V85-I114 HydrophobicContact CG2-CG2 4.2Å; V85-V116 HydrophobicContact CB-CG1 4.13Å; V85-V116 HydrophobicContact CG1-CG2 4.4Å; V85-V116 HydrophobicContact CG2-CG1 3.67Å; V85-V116 HydrophobicContact CG2-CG2 4.25Å; V85-I135 HydrophobicContact CG2-CD1 3.56Å |
| 86 | L | 88.2 | Confident | 86.2 | Confident | 90 Ų | 90 | 58.7 Ų | 58.7 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 143.7 | 170.4 | -66 | 167 | 0 | 0 | 0 | 110.5 | L94 F95 N97 | L86-L94 CarbonylContact O-C 3.47Å; L86-L94 VanDerWaalsContact O-CA 3.27Å; L86-L94 WeakPolarHBondContact O-CA 3.22Å; L86-F95 HydrophobicContact CB-CB 4.4Å; L86-F95 PolarHBondContact N-O 2.7Å; L86-F95 PolarHBondContact O-N 2.74Å; L86-N97 HydrophobicContact CD1-CB 3.94Å; L86-N97 HydrophobicContact CG-CB 3.98Å |
| 87 | L | 88.1 | Confident | 86.1 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128 | -179.2 | 167 | 65.4 | 0 | 0 | 0 | 111.3 | M60 L75 L77 P89 L94 | M60-L87 HydrophobicContact CE-CD1 3.54Å; L75-L87 HydrophobicContact CB-CD2 4.34Å; L77-L87 HydrophobicContact CD1-CB 3.57Å; L77-L87 HydrophobicContact CG-CB 3.86Å; L77-L87 HydrophobicContact CG-CD2 4.18Å; L87-P89 HydrophobicContact CD2-CB 4.45Å; L87-P89 HydrophobicContact CG-CB 4.36Å; L87-P89 WeakPolarHBondContact O-CD 3.35Å; L87-L94 HydrophobicContact CB-CD2 3.9Å; L87-L94 HydrophobicContact CD1-CD2 3.79Å; L87-L94 HydrophobicContact CG-CD2 4.42Å |
| 88 | D | 88.5 | Confident | 85.8 | Confident | 32 Ų | 32 | 56.7 Ų | 56.7 | 17% | 0.171 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 102.1 | 158.4 | 179.8 | -26.4 | 0 | 0 | 0 | 108.2 | V90 K91 Q92 M93 F95 | D88-V90 VanDerWaalsContact C-N 3.26Å; D88-V90 PolarHBondContact O-N 2.87Å; D88-V90 WeakPolarHBondContact OD1-CA 3.36Å; D88-V90 WeakPolarHBondContact OD1-CB 2.9Å; D88-V90 PolarHBondContact OD1-N 3.43Å; D88-K91 PolarHBondContact OD1-N 2.78Å; D88-K91 WeakPolarHBondContact OD2-CG 3.42Å; D88-K91 IonicContact OD2-NZ 2.64Å; D88-K91 PolarHBondContact OD2-NZ 3.14Å; D88-Q92 WeakPolarHBondContact O-CA 3.33Å; D88-Q92 PolarHBondContact O-N 2.98Å; D88-M93 HydrophobicContact CB-CB 4.23Å; D88-M93 PolarHBondContact N-O 2.87Å; D88-M93 PolarHBondContact O-N 2.89Å; D88-F95 HydrophobicContact CB-CE2 4.07Å |
| 89 | P | 83.6 | Confident | 85.6 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 33% | 0.331 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -18.9 | -176.4 | 30.8 | -35.6 | 0 | 0 | 0 | 112.6 | A66 L75 L87 | A66-P89 WeakPolarHBondContact CB-O 3.32Å; L75-P89 HydrophobicContact CB-CB 4.06Å; L87-P89 HydrophobicContact CD2-CB 4.45Å; L87-P89 HydrophobicContact CG-CB 4.36Å; L87-P89 WeakPolarHBondContact O-CD 3.35Å |
| 90 | V | 84 | Confident | 85.2 | Confident | 106 Ų | 106 | 56.4 Ų | 56.4 | 64% | 0.642 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -40.7 | -178.7 | -177 | 0 | 0 | 0 | 0 | 110.5 | D88 | D88-V90 VanDerWaalsContact C-N 3.26Å; D88-V90 PolarHBondContact O-N 2.87Å; D88-V90 WeakPolarHBondContact OD1-CA 3.36Å; D88-V90 WeakPolarHBondContact OD1-CB 2.9Å; D88-V90 PolarHBondContact OD1-N 3.43Å |
| 91 | K | 84.2 | Confident | 85 | Confident | 125 Ų | 125 | 60.9 Ų | 60.9 | 54% | 0.543 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -11.2 | 175 | -57.4 | -166.9 | -158.3 | 86.6 | 0 | 114.1 | D88 M93 | D88-K91 PolarHBondContact OD1-N 2.78Å; D88-K91 WeakPolarHBondContact OD2-CG 3.42Å; D88-K91 IonicContact OD2-NZ 2.64Å; D88-K91 PolarHBondContact OD2-NZ 3.14Å; K91-M93 VanDerWaalsContact C-N 3.34Å; K91-M93 HydrophobicContact CB-CB 4.4Å; K91-M93 HydrophobicContact CB-CG 3.81Å; K91-M93 HydrophobicContact CB-SD 3.99Å; K91-M93 HydrophobicContact CD-SD 3.73Å |
| 92 | Q | 86.7 | Confident | 85.2 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 41.3 | -167.9 | -47.4 | -168.8 | 9.5 | 0 | 0 | 113 | M60 I62 L75 D88 | M60-Q92 HydrophobicContact CB-CB 4.2Å; M60-Q92 HydrophobicContact CE-CB 3.91Å; M60-Q92 WeakPolarHBondContact CG-O 3.35Å; M60-Q92 PolarHBondContact N-O 3.41Å; I62-Q92 PolarHBondContact O-NE2 3.19Å; I62-Q92 PolarHBondContact O-OE1 3.1Å; L75-Q92 HydrophobicContact CD1-CB 4.44Å; L75-Q92 HydrophobicContact CD1-CG 3.83Å; D88-Q92 WeakPolarHBondContact O-CA 3.33Å; D88-Q92 PolarHBondContact O-N 2.98Å |
| 93 | M | 88.5 | Confident | 85.5 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 13% | 0.128 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 152.5 | -179.7 | -71.8 | 179.3 | 77 | 0 | 0 | 112.7 | I55 V57 D58 D88 K91 F95 | I55-M93 HydrophobicContact CD1-CE 3.99Å; I55-M93 HydrophobicContact CG1-CE 4.22Å; I55-M93 HydrophobicContact CG2-CE 3.86Å; V57-M93 CarbonylContact O-C 3.55Å; V57-M93 VanDerWaalsContact O-CA 3.27Å; V57-M93 WeakPolarHBondContact O-CA 3.39Å; V57-M93 WeakPolarHBondContact O-CB 3.47Å; D58-M93 WeakPolarHBondContact O-CG 3.38Å; D88-M93 HydrophobicContact CB-CB 4.23Å; D88-M93 PolarHBondContact N-O 2.87Å; D88-M93 PolarHBondContact O-N 2.89Å; K91-M93 VanDerWaalsContact C-N 3.34Å; K91-M93 HydrophobicContact CB-CB 4.4Å; K91-M93 HydrophobicContact CB-CG 3.81Å; K91-M93 HydrophobicContact CB-SD 3.99Å; K91-M93 HydrophobicContact CD-SD 3.73Å; M93-F95 HydrophobicContact CB-CE2 3.81Å; M93-F95 HydrophobicContact CB-CZ 4.07Å; M93-F95 HydrophobicContact CE-CE1 3.8Å; M93-F95 HydrophobicContact CE-CE2 4.43Å; M93-F95 HydrophobicContact CE-CZ 3.56Å; M93-F95 HydrophobicContact SD-CZ 3.95Å |
| 94 | L | 89.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 141.7 | 170.3 | -61.1 | 177.2 | 0 | 0 | 0 | 111.2 | L56 V57 M60 L77 V85 L86 L87 V118 V133 | L56-L94 HydrophobicContact CB-CB 4.08Å; L56-L94 PolarHBondContact N-O 2.92Å; V57-L94 HydrophobicContact CB-CB 4.04Å; V57-L94 HydrophobicContact CB-CD1 4.31Å; V57-L94 HydrophobicContact CB-CG 4.25Å; V57-L94 HydrophobicContact CG2-CB 4.3Å; V57-L94 HydrophobicContact CG2-CD1 3.96Å; V57-L94 HydrophobicContact CG2-CG 4.42Å; V57-L94 PolarHBondContact N-O 3.46Å; V57-L94 VanDerWaalsContact N-O 3.14Å; V57-L94 PolarHBondContact O-N 2.83Å; M60-L94 HydrophobicContact SD-CD1 4.16Å; M60-L94 HydrophobicContact SD-CD2 4.44Å; M60-L94 HydrophobicContact SD-CG 4.17Å; L77-L94 HydrophobicContact CD2-CD2 4.34Å; V85-L94 HydrophobicContact CG1-CB 4.07Å; V85-L94 HydrophobicContact CG1-CD1 4.37Å; V85-L94 HydrophobicContact CG1-CD2 3.92Å; V85-L94 HydrophobicContact CG1-CG 4.35Å; L86-L94 CarbonylContact O-C 3.47Å; L86-L94 VanDerWaalsContact O-CA 3.27Å; L86-L94 WeakPolarHBondContact O-CA 3.22Å; L87-L94 HydrophobicContact CB-CD2 3.9Å; L87-L94 HydrophobicContact CD1-CD2 3.79Å; L87-L94 HydrophobicContact CG-CD2 4.42Å; L94-V118 HydrophobicContact CD1-CG2 4.49Å; L94-V133 HydrophobicContact CD1-CB 4.32Å; L94-V133 HydrophobicContact CD1-CG1 3.98Å; L94-V133 HydrophobicContact CD1-CG2 3.98Å |
| 95 | F | 90.3 | Very high | 85.5 | Confident | 51 Ų | 51 | 51 Ų | 51 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.4 | -179.7 | -55.3 | -95.6 | 0 | 0 | 0 | 111.7 | T54 I55 L56 V85 L86 D88 M93 | T54-F95 CarbonylContact O-C 3.59Å; T54-F95 WeakPolarHBondContact O-CA 3.43Å; I55-F95 HydrophobicContact CG1-CD1 4.04Å; I55-F95 HydrophobicContact CG1-CE1 3.91Å; L56-F95 VanDerWaalsContact CD1-C 3.42Å; V85-F95 WeakPolarHBondContact CA-O 3.3Å; L86-F95 HydrophobicContact CB-CB 4.4Å; L86-F95 PolarHBondContact N-O 2.7Å; L86-F95 PolarHBondContact O-N 2.74Å; D88-F95 HydrophobicContact CB-CE2 4.07Å; M93-F95 HydrophobicContact CB-CE2 3.81Å; M93-F95 HydrophobicContact CB-CZ 4.07Å; M93-F95 HydrophobicContact CE-CE1 3.8Å; M93-F95 HydrophobicContact CE-CE2 4.43Å; M93-F95 HydrophobicContact CE-CZ 3.56Å; M93-F95 HydrophobicContact SD-CZ 3.95Å |
| 96 | L | 89.3 | Confident | 85.3 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 133.1 | 173.9 | -177.4 | 68.2 | 0 | 0 | 0 | 110.7 | I46 S50 N52 G53 T54 L56 L103 | I46-L96 HydrophobicContact CD1-CD1 4.12Å; I46-L96 HydrophobicContact CD1-CD2 4.15Å; S50-L96 WeakPolarHBondContact O-CD2 3.44Å; N52-L96 PolarHBondContact OD1-O 3.25Å; G53-L96 WeakPolarHBondContact CA-O 3.01Å; G53-L96 PolarHBondContact N-O 3.06Å; T54-L96 PolarHBondContact O-N 3.1Å; L56-L96 HydrophobicContact CD1-CB 4.25Å; L56-L96 HydrophobicContact CD2-CB 4.14Å; L56-L96 HydrophobicContact CG-CB 4.15Å; L96-L103 HydrophobicContact CD2-CD2 4.48Å |
| 97 | N | 88.4 | Confident | 84.8 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | trans | -115.5 | 96.9 | 174.8 | 179.2 | 38.9 | 0 | 0 | 0 | 110.4 | N52 Y83 W84 L86 T99 | N52-N97 WeakPolarHBondContact OD1-CA 3.16Å; Y83-N97 WeakPolarHBondContact O-CB 3.16Å; Y83-N97 PolarHBondContact O-ND2 3.38Å; W84-N97 PolarHBondContact O-N 3.32Å; L86-N97 HydrophobicContact CD1-CB 3.94Å; L86-N97 HydrophobicContact CG-CB 3.98Å; N97-T99 WeakPolarHBondContact OD1-CG2 3.18Å; N97-T99 PolarHBondContact OD1-OG1 3.14Å | ||
| 98 | S | 82.4 | Confident | 84.2 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | trans | -113 | 33.1 | 176.7 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | S50 N52 G100 R101 | S50-S98 PolarHBondContact O-OG 2.92Å; N52-S98 WeakPolarHBondContact CA-OG 3.3Å; N52-S98 WeakPolarHBondContact CB-OG 3.45Å; N52-S98 PolarHBondContact N-OG 3.45Å; N52-S98 VanDerWaalsContact N-OG 3.14Å; N52-S98 PolarHBondContact OD1-N 2.77Å; S98-G100 PolarHBondContact O-N 3.05Å; S98-R101 PolarHBondContact O-N 2.69Å | ||
| 99 | T | 80.4 | Confident | 83.6 | Confident | 90 Ų | 90 | 58.8 Ų | 58.8 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 107.9 | 177.1 | 55 | 0 | 0 | 0 | 0 | 111.5 | N52 N97 | N52-T99 WeakPolarHBondContact ND2-CG2 3.49Å; N97-T99 WeakPolarHBondContact OD1-CG2 3.18Å; N97-T99 PolarHBondContact OD1-OG1 3.14Å |
| 100 | G | 77.8 | Confident | 83.5 | Confident | 88 Ų | 88 | 60 Ų | 60 | 91% | 0.907 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 17.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S98 | S98-G100 PolarHBondContact O-N 3.05Š|
| 101 | R | 81.7 | Confident | 83.4 | Confident | 123 Ų | 123 | 56.5 Ų | 56.5 | 46% | 0.464 | 32% | 0.317 | S | S | . | . | trans | -140.6 | 145.2 | 176.4 | -53.3 | -177.5 | -170.4 | -159.3 | 4.6 | 109.1 | D82 W84 S98 | D82-R101 IonicContact OD1-CZ 3.01Å; D82-R101 IonicContact OD1-NH1 2.69Å; D82-R101 PolarHBondContact OD1-NH1 2.92Å; D82-R101 IonicContact OD1-NH2 3.69Å; D82-R101 PolarHBondContact OD1-NH2 3.04Å; W84-R101 HydrophobicContact CH2-CB 3.87Å; W84-R101 HydrophobicContact CZ3-CB 4.24Å; S98-R101 PolarHBondContact O-N 2.69Å | ||
| 102 | V | 80.1 | Confident | 83.5 | Confident | 95 Ų | 95 | 55.3 Ų | 55.3 | 58% | 0.576 | 31% | 0.313 | S | S | * | . | trans | -85.6 | 144.5 | 164.8 | -174.8 | 0 | 0 | 0 | 0 | 107.6 | E49 D104 | E49-V102 HydrophobicContact CG-CG1 4.42Å; V102-D104 HydrophobicContact CG1-CB 4.25Å | ||
| 103 | L | 84.7 | Confident | 83.5 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | trans | -87.4 | 109.9 | 162.4 | -178.4 | 72 | 0 | 0 | 0 | 105.5 | I46 E48 E49 W84 L96 I111 I114 V137 | I46-L103 HydrophobicContact CD1-CD2 3.38Å; I46-L103 HydrophobicContact CG1-CD2 3.97Å; E48-L103 WeakPolarHBondContact CB-O 3.36Å; E49-L103 PolarHBondContact N-O 3.36Å; W84-L103 HydrophobicContact CZ3-CD1 4.36Å; L96-L103 HydrophobicContact CD2-CD2 4.48Å; L103-I111 HydrophobicContact CD1-CB 4.37Å; L103-I111 HydrophobicContact CD1-CG2 3.87Å; L103-I114 HydrophobicContact CD1-CD1 3.96Å; L103-V137 HydrophobicContact CD1-CG2 3.98Å; L103-V137 HydrophobicContact CD2-CG1 4.17Å; L103-V137 HydrophobicContact CD2-CG2 3.97Å; L103-V137 HydrophobicContact CG-CG1 4.23Å; L103-V137 HydrophobicContact CG-CG2 4.14Å | ||
| 104 | D | 85.3 | Confident | 83.4 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | trans | -130.4 | 122.3 | -165.8 | 170.2 | -3 | 0 | 0 | 0 | 106.9 | V102 D106 M109 I111 | V102-D104 HydrophobicContact CG1-CB 4.25Å; D104-D106 PolarHBondContact OD1-N 2.89Å; D104-M109 HydrophobicContact CB-CB 3.86Å; D104-M109 HydrophobicContact CB-CG 3.96Å; D104-M109 WeakPolarHBondContact OD2-CG 3.16Å; D104-I111 VanDerWaalsContact O-CB 3.29Å; D104-I111 WeakPolarHBondContact O-CB 3.42Å; D104-I111 WeakPolarHBondContact O-CG1 3.43Å; D104-I111 PolarHBondContact O-N 2.84Å | ||
| 105 | R | 85.7 | Confident | 83.2 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | trans | -78.7 | -29.7 | -174.4 | -171.1 | 179.1 | -178.6 | -166.4 | -6.1 | 112.1 | E48 N110 I111 V137 D139 D181 | E48-R105 HydrophobicContact CB-CB 4.48Å; E48-R105 WeakPolarHBondContact OE2-CB 3.08Å; E48-R105 PolarHBondContact OE2-N 2.92Å; R105-N110 CarbonylContact O-C 3.59Å; R105-N110 WeakPolarHBondContact O-CA 3.21Å; R105-I111 PolarHBondContact O-N 2.89Å; R105-V137 HydrophobicContact CB-CG1 4.34Å; R105-D139 WeakPolarHBondContact CD-OD1 3.21Å; R105-D139 IonicContact CZ-OD1 3.04Å; R105-D139 IonicContact NE-OD1 2.7Å; R105-D139 IonicContact NH1-OD1 2.88Å; R105-D139 PolarHBondContact NH1-OD1 2.84Å; R105-D181 IonicContact CZ-OD2 2.61Å; R105-D181 IonicContact NH1-OD2 2.72Å; R105-D181 PolarHBondContact NH1-OD2 2.83Å; R105-D181 IonicContact NH2-OD2 3.36Å; R105-D181 PolarHBondContact NH2-OD2 3.01Å | ||
| 106 | D | 83.1 | Confident | 83.1 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 6% | 0.064 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -99.4 | 170.3 | -154.8 | -75.2 | -12.1 | 0 | 0 | 0 | 113.3 | D104 P108 M109 N110 | D104-D106 PolarHBondContact OD1-N 2.89Å; D106-P108 CarbonylContact O-C 3.51Å; D106-M109 PolarHBondContact O-N 3.11Å; D106-N110 PolarHBondContact O-N 3.08Å |
| 107 | P | 78.1 | Confident | 83 | Confident | 84 Ų | 84 | 60.7 Ų | 60.7 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 124 | 176 | -21.5 | 34.3 | 0 | 0 | 0 | 110.8 | ||
| 108 | P | 76.6 | Confident | 83 | Confident | 113 Ų | 113 | 59.1 Ų | 59.1 | 73% | 0.734 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -99.1 | -8.4 | 22.9 | 36.8 | -36.7 | 0 | 0 | 0 | 116.5 | D106 N110 | D106-P108 CarbonylContact O-C 3.51Å; P108-N110 PolarHBondContact O-ND2 2.85Å |
| 109 | M | 74.9 | Confident | 83.2 | Confident | 116 Ų | 116 | 59.9 Ų | 59.9 | 57% | 0.571 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -37 | -171.9 | -67.1 | -62.8 | -178.7 | 0 | 0 | 113.8 | D104 D106 I111 | D104-M109 HydrophobicContact CB-CB 3.86Å; D104-M109 HydrophobicContact CB-CG 3.96Å; D104-M109 WeakPolarHBondContact OD2-CG 3.16Å; D106-M109 PolarHBondContact O-N 3.11Å; M109-I111 VanDerWaalsContact C-N 3.3Å; M109-I111 HydrophobicContact CB-CD1 4.36Å; M109-I111 HydrophobicContact CB-CG1 4.14Å; M109-I111 WeakPolarHBondContact O-CG1 3.38Å; M109-I111 PolarHBondContact O-N 3.38Å |
| 110 | N | 81 | Confident | 83.5 | Confident | 78 Ų | 78 | 55.6 Ų | 55.6 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | trans | 54.3 | 33.4 | 171.1 | -64.8 | -78.1 | 0 | 0 | 0 | 115.2 | R105 D106 P108 H112 | R105-N110 CarbonylContact O-C 3.59Å; R105-N110 WeakPolarHBondContact O-CA 3.21Å; D106-N110 PolarHBondContact O-N 3.08Å; P108-N110 PolarHBondContact O-ND2 2.85Å; N110-H112 VanDerWaalsContact C-N 3.28Å; N110-H112 PolarHBondContact O-N 3.29Å | ||
| 111 | I | 83.3 | Confident | 83.9 | Confident | 31 Ų | 31 | 53.1 Ų | 53.1 | 16% | 0.159 | 29% | 0.286 | C | S | . | . | trans | -83.8 | 66 | -171.1 | -45.8 | 177.3 | 0 | 0 | 0 | 111.4 | W84 L103 D104 R105 M109 S113 I114 V137 | W84-I111 HydrophobicContact CH2-CD1 4.12Å; W84-I111 HydrophobicContact CZ2-CD1 3.85Å; L103-I111 HydrophobicContact CD1-CB 4.37Å; L103-I111 HydrophobicContact CD1-CG2 3.87Å; D104-I111 VanDerWaalsContact O-CB 3.29Å; D104-I111 WeakPolarHBondContact O-CB 3.42Å; D104-I111 WeakPolarHBondContact O-CG1 3.43Å; D104-I111 PolarHBondContact O-N 2.84Å; R105-I111 PolarHBondContact O-N 2.89Å; M109-I111 VanDerWaalsContact C-N 3.3Å; M109-I111 HydrophobicContact CB-CD1 4.36Å; M109-I111 HydrophobicContact CB-CG1 4.14Å; M109-I111 WeakPolarHBondContact O-CG1 3.38Å; M109-I111 PolarHBondContact O-N 3.38Å; I111-S113 PolarHBondContact O-N 2.91Å; I111-I114 HydrophobicContact CG2-CG1 4.32Å; I111-V137 WeakPolarHBondContact O-CB 3.38Å; I111-V137 WeakPolarHBondContact O-CG2 3.16Å | ||
| 112 | H | 85.3 | Confident | 84.1 | Confident | 100 Ų | 100 | 47.5 Ų | 47.5 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | trans | -67 | -32.2 | -175.8 | -53.2 | 157.6 | 0 | 0 | 0 | 114.4 | N110 V137 | N110-H112 VanDerWaalsContact C-N 3.28Å; N110-H112 PolarHBondContact O-N 3.29Å; H112-V137 PolarHBondContact O-N 2.86Å | ||
| 113 | S | 86.8 | Confident | 84.2 | Confident | 72 Ų | 72 | 47.9 Ų | 47.9 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 146.1 | -179.5 | 69.4 | 0 | 0 | 0 | 0 | 114.1 | I111 I135 | I111-S113 PolarHBondContact O-N 2.91Å; S113-I135 CarbonylContact C-O 3.56Å; S113-I135 WeakPolarHBondContact CA-O 3.43Å; S113-I135 WeakPolarHBondContact CB-O 3.21Å |
| 114 | I | 85.9 | Confident | 83.8 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.2 | 173.9 | -61.6 | 153.8 | 0 | 0 | 0 | 108.3 | W84 V85 L103 I111 V116 I135 | W84-I114 HydrophobicContact CB-CD1 3.93Å; W84-I114 HydrophobicContact CB-CG1 4.46Å; W84-I114 HydrophobicContact CB-CG2 4.02Å; W84-I114 HydrophobicContact CD2-CD1 4.15Å; W84-I114 HydrophobicContact CG-CD1 3.89Å; W84-I114 HydrophobicContact CG-CG1 4.32Å; V85-I114 HydrophobicContact CG2-CG2 4.2Å; L103-I114 HydrophobicContact CD1-CD1 3.96Å; I111-I114 HydrophobicContact CG2-CG1 4.32Å; I114-V116 HydrophobicContact CG2-CG1 4.38Å; I114-I135 HydrophobicContact CB-CB 4.25Å; I114-I135 HydrophobicContact CB-CD1 4.14Å; I114-I135 HydrophobicContact CG2-CD1 4.05Å; I114-I135 PolarHBondContact N-O 2.89Å; I114-I135 PolarHBondContact O-N 2.71Å |
| 115 | V | 86.9 | Confident | 83.3 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.7 | -179.7 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | E132 V133 R134 | V115-E132 HydrophobicContact CG1-CG 4.04Å; V115-V133 WeakPolarHBondContact CA-O 3.36Å; V115-R134 HydrophobicContact CG1-CG 4.23Å; V115-R134 HydrophobicContact CG2-CG 4.1Å |
| 116 | V | 88.5 | Confident | 83 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 156.4 | 176.8 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | L77 N80 V85 I114 V133 | L77-V116 HydrophobicContact CD2-CB 4.06Å; L77-V116 HydrophobicContact CD2-CG2 3.85Å; N80-V116 HydrophobicContact CB-CG1 4.06Å; V85-V116 HydrophobicContact CB-CG1 4.13Å; V85-V116 HydrophobicContact CG1-CG2 4.4Å; V85-V116 HydrophobicContact CG2-CG1 3.67Å; V85-V116 HydrophobicContact CG2-CG2 4.25Å; I114-V116 HydrophobicContact CG2-CG1 4.38Å; V116-V133 HydrophobicContact CG2-CB 3.94Å; V116-V133 PolarHBondContact N-O 3.24Å; V116-V133 PolarHBondContact O-N 2.99Å |
| 117 | Q | 87.3 | Confident | 82.9 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 28% | 0.276 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.3 | 173 | -70 | -168.3 | 39.8 | 0 | 0 | 111 | L77 K78 D79 H131 | L77-Q117 CarbonylContact C-O 3.58Å; K78-Q117 HydrophobicContact CB-CB 3.78Å; K78-Q117 PolarHBondContact N-O 3.01Å; K78-Q117 PolarHBondContact O-N 2.9Å; D79-Q117 WeakPolarHBondContact OD2-CG 3.03Å; D79-Q117 PolarHBondContact OD2-NE2 2.79Å; Q117-H131 CarbonylContact C-O 3.59Å; Q117-H131 WeakPolarHBondContact CA-O 3.27Å |
| 118 | V | 86.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 108.9 | 173.2 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | M60 I62 L75 S76 L77 L94 H131 V133 | M60-V118 HydrophobicContact CE-CG1 4.05Å; M60-V118 HydrophobicContact SD-CB 4.22Å; M60-V118 HydrophobicContact SD-CG1 3.91Å; M60-V118 HydrophobicContact SD-CG2 3.76Å; I62-V118 HydrophobicContact CD1-CG1 4.29Å; L75-V118 HydrophobicContact CD2-CG1 4.22Å; S76-V118 WeakPolarHBondContact O-CA 3.42Å; L77-V118 HydrophobicContact CD2-CG2 4.08Å; L94-V118 HydrophobicContact CD1-CG2 4.49Å; V118-H131 HydrophobicContact CB-CB 4.48Å; V118-H131 PolarHBondContact N-O 2.69Å; V118-H131 PolarHBondContact O-N 3.14Å; V118-V133 HydrophobicContact CG2-CG2 4.17Å |
| 119 | Q | 88.1 | Confident | 83.5 | Confident | 30 Ų | 30 | 55.1 Ų | 55.1 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 116.6 | 178.4 | -179.1 | 178.3 | -25.9 | 0 | 0 | 109.5 | L75 S76 K78 V121 V128 Y130 | L75-Q119 WeakPolarHBondContact CA-O 3.17Å; S76-Q119 PolarHBondContact N-O 3.41Å; S76-Q119 PolarHBondContact O-N 2.9Å; K78-Q119 HydrophobicContact CG-CB 4.2Å; Q119-V121 HydrophobicContact CG-CG2 4.35Å; Q119-V128 HydrophobicContact CG-CG1 3.6Å; Q119-Y130 HydrophobicContact CB-CD1 3.95Å; Q119-Y130 HydrophobicContact CB-CE1 3.84Å; Q119-Y130 HydrophobicContact CG-CD1 4.1Å; Q119-Y130 HydrophobicContact CG-CE1 3.63Å |
| 120 | C | 86.9 | Confident | 84 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.3 | 172.1 | -167.4 | 0 | 0 | 0 | 0 | 110.7 | C32 I62 E74 L75 V128 I129 | C32-C120 WeakPolarHBondContact CA-SG 3.33Å; C32-C120 HydrophobicContact CB-CB 3.82Å; C32-C120 WeakPolarHBondContact CB-SG 3.42Å; C32-C120 WeakPolarHBondContact SG-CB 3.3Å; C32-C120 CovalentContact SG-SG 2.04Å; C32-C120 PolarHBondContact SG-SG 2.83Å; I62-C120 HydrophobicContact CG2-CB 4.46Å; E74-C120 CarbonylContact O-C 3.56Å; E74-C120 WeakPolarHBondContact O-CA 3.46Å; L75-C120 HydrophobicContact CD2-CB 3.77Å; C120-V128 WeakPolarHBondContact O-CA 3.27Å; C120-I129 PolarHBondContact N-O 3.08Å; C120-I129 PolarHBondContact O-N 2.75Å |
| 121 | V | 86 | Confident | 84.1 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 116.6 | 177.4 | -173.3 | 0 | 0 | 0 | 0 | 111 | C32 I73 E74 Q119 K123 V128 | C32-V121 VanDerWaalsContact SG-C 3.51Å; I73-V121 CarbonylContact C-O 3.6Å; I73-V121 WeakPolarHBondContact CA-O 3.49Å; E74-V121 HydrophobicContact CB-CB 4.25Å; E74-V121 PolarHBondContact N-O 3.16Å; E74-V121 PolarHBondContact O-N 3.02Å; Q119-V121 HydrophobicContact CG-CG2 4.35Å; V121-K123 PolarHBondContact O-N 2.85Å; V121-K123 VanDerWaalsContact O-N 3.16Å; V121-V128 HydrophobicContact CG1-CG2 4.46Å; V121-V128 HydrophobicContact CG2-CG2 4.31Å |
| 122 | N | 85.1 | Confident | 84.2 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.9 | 93.4 | 165.1 | 155.7 | 54.9 | 0 | 0 | 0 | 115 | D31 C32 I73 K124 V125 G126 T127 | D31-N122 HydrophobicContact CB-CB 4.36Å; D31-N122 PolarHBondContact O-ND2 2.78Å; C32-N122 HydrophobicContact CB-CB 4.17Å; I73-N122 HydrophobicContact CG2-CB 4.15Å; N122-K124 VanDerWaalsContact C-N 3.26Å; N122-K124 PolarHBondContact O-N 2.84Å; N122-K124 WeakPolarHBondContact OD1-CA 3.32Å; N122-K124 WeakPolarHBondContact OD1-CB 3.28Å; N122-K124 PolarHBondContact OD1-N 3.05Å; N122-V125 PolarHBondContact OD1-N 2.76Å; N122-G126 VanDerWaalsContact O-CA 3.26Å; N122-G126 WeakPolarHBondContact O-CA 3.48Å; N122-G126 PolarHBondContact O-N 2.75Å; N122-T127 WeakPolarHBondContact CA-O 3.31Å; N122-T127 PolarHBondContact N-O 2.87Å |
| 123 | K | 82.1 | Confident | 84.3 | Confident | 103 Ų | 103 | 49.1 Ų | 49.1 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -17.5 | 178.4 | -64 | -146 | 178.7 | -158.7 | 0 | 114.7 | P71 T72 E74 V121 | P71-K123 HydrophobicContact CG-CD 4.43Å; T72-K123 WeakPolarHBondContact O-CB 3.23Å; T72-K123 PolarHBondContact O-N 2.82Å; E74-K123 WeakPolarHBondContact OE2-CE 3.41Å; E74-K123 IonicContact OE2-NZ 2.66Å; E74-K123 PolarHBondContact OE2-NZ 3.41Å; V121-K123 PolarHBondContact O-N 2.85Å; V121-K123 VanDerWaalsContact O-N 3.16Å |
| 124 | K | 76.2 | Confident | 84.3 | Confident | 139 Ų | 139 | 51.3 Ų | 51.3 | 60% | 0.604 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -35.3 | 176.5 | -58.9 | 172.1 | -173.7 | 159.9 | 0 | 112.7 | D31 N122 | D31-K124 WeakPolarHBondContact OD2-CD 3.43Å; D31-K124 WeakPolarHBondContact OD2-CE 3.28Å; D31-K124 IonicContact OD2-NZ 3.73Å; D31-K124 PolarHBondContact OD2-NZ 2.75Å; N122-K124 VanDerWaalsContact C-N 3.26Å; N122-K124 PolarHBondContact O-N 2.84Å; N122-K124 WeakPolarHBondContact OD1-CA 3.32Å; N122-K124 WeakPolarHBondContact OD1-CB 3.28Å; N122-K124 PolarHBondContact OD1-N 3.05Å |
| 125 | V | 76.2 | Confident | 84.4 | Confident | 74 Ų | 74 | 50.8 Ų | 50.8 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | -15.3 | -168.6 | -163.4 | 0 | 0 | 0 | 0 | 113.2 | N122 T127 | N122-V125 PolarHBondContact OD1-N 2.76Å; V125-T127 HydrophobicContact CB-CG2 4.27Å; V125-T127 HydrophobicContact CG1-CG2 3.93Å; V125-T127 PolarHBondContact O-N 3.09Å |
| 126 | G | 77.4 | Confident | 84.4 | Confident | 57 Ų | 57 | 50.8 Ų | 50.8 | 59% | 0.588 | 26% | 0.261 | S | S | * | . | trans | 77.3 | 1.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | N122 | N122-G126 VanDerWaalsContact O-CA 3.26Å; N122-G126 WeakPolarHBondContact O-CA 3.48Å; N122-G126 PolarHBondContact O-N 2.75Å | ||
| 127 | T | 81 | Confident | 84.4 | Confident | 58 Ų | 58 | 51 Ų | 51 | 36% | 0.356 | 26% | 0.262 | S | S | . | . | trans | -69.9 | 138.7 | 179.3 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | N122 V125 | N122-T127 WeakPolarHBondContact CA-O 3.31Å; N122-T127 PolarHBondContact N-O 2.87Å; V125-T127 HydrophobicContact CB-CG2 4.27Å; V125-T127 HydrophobicContact CG1-CG2 3.93Å; V125-T127 PolarHBondContact O-N 3.09Å | ||
| 128 | V | 83 | Confident | 84.3 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 39% | 0.394 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.2 | 174.5 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | Q119 C120 V121 Y130 | Q119-V128 HydrophobicContact CG-CG1 3.6Å; C120-V128 WeakPolarHBondContact O-CA 3.27Å; V121-V128 HydrophobicContact CG1-CG2 4.46Å; V121-V128 HydrophobicContact CG2-CG2 4.31Å; V128-Y130 HydrophobicContact CG1-CE1 4.37Å; V128-Y130 HydrophobicContact CG1-CE2 3.94Å |
| 129 | I | 84.1 | Confident | 84.2 | Confident | 55 Ų | 55 | 55.6 Ų | 55.6 | 28% | 0.282 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.8 | 178.7 | -59.2 | 179.9 | 0 | 0 | 0 | 108.8 | C32 C120 | C32-I129 HydrophobicContact CB-CD1 4.03Å; C32-I129 HydrophobicContact CB-CG1 4.46Å; C32-I129 WeakPolarHBondContact O-CD1 3.2Å; C120-I129 PolarHBondContact N-O 3.08Å; C120-I129 PolarHBondContact O-N 2.75Å |
| 130 | Y | 85.4 | Confident | 84.1 | Confident | 123 Ų | 123 | 60 Ų | 60 | 48% | 0.482 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 132.9 | 176.8 | -60.2 | -83.3 | 0 | 0 | 0 | 110.1 | K78 Q119 V128 | K78-Y130 HydrophobicContact CG-CE1 4.46Å; Q119-Y130 HydrophobicContact CB-CD1 3.95Å; Q119-Y130 HydrophobicContact CB-CE1 3.84Å; Q119-Y130 HydrophobicContact CG-CD1 4.1Å; Q119-Y130 HydrophobicContact CG-CE1 3.63Å; V128-Y130 HydrophobicContact CG1-CE1 4.37Å; V128-Y130 HydrophobicContact CG1-CE2 3.94Å |
| 131 | H | 83.4 | Confident | 84.1 | Confident | 17 Ų | 17 | 61 Ų | 61 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.4 | 175.6 | -61.9 | 84.9 | 0 | 0 | 0 | 109.2 | C32 Q117 V118 | C32-H131 PolarHBondContact O-CE1 2.79Å; C32-H131 VanDerWaalsContact O-CE1 3.24Å; Q117-H131 CarbonylContact C-O 3.59Å; Q117-H131 WeakPolarHBondContact CA-O 3.27Å; V118-H131 HydrophobicContact CB-CB 4.48Å; V118-H131 PolarHBondContact N-O 2.69Å; V118-H131 PolarHBondContact O-N 3.14Å |
| 132 | E | 86.6 | Confident | 84 | Confident | 57 Ų | 57 | 63 Ų | 63 | 27% | 0.266 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 142 | -178.6 | -166.1 | -177.5 | 149.2 | 0 | 0 | 110.6 | A41 T42 V115 R134 | A41-E132 CarbonylContact C-O 3.55Å; A41-E132 VanDerWaalsContact CA-O 3.27Å; A41-E132 WeakPolarHBondContact CA-O 3.28Å; A41-E132 HydrophobicContact CB-CB 3.87Å; A41-E132 HydrophobicContact CB-CG 4.3Å; T42-E132 PolarHBondContact N-O 2.62Å; V115-E132 HydrophobicContact CG1-CG 4.04Å; E132-R134 IonicContact OE1-CZ 3.03Å; E132-R134 IonicContact OE1-NE 3.65Å; E132-R134 PolarHBondContact OE1-NE 3.33Å; E132-R134 IonicContact OE1-NH2 3.66Å; E132-R134 PolarHBondContact OE1-NH2 3.4Å; E132-R134 IonicContact OE2-NH2 3.45Å |
| 133 | V | 86.8 | Confident | 84 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.2 | 173.5 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | T42 V44 V57 L94 V115 V116 V118 | T42-V133 HydrophobicContact CG2-CG1 4.49Å; T42-V133 CarbonylContact O-C 3.58Å; T42-V133 WeakPolarHBondContact O-CA 3.12Å; V44-V133 HydrophobicContact CG2-CG1 4.48Å; V57-V133 HydrophobicContact CG2-CG1 4.31Å; L94-V133 HydrophobicContact CD1-CB 4.32Å; L94-V133 HydrophobicContact CD1-CG1 3.98Å; L94-V133 HydrophobicContact CD1-CG2 3.98Å; V115-V133 WeakPolarHBondContact CA-O 3.36Å; V116-V133 HydrophobicContact CG2-CB 3.94Å; V116-V133 PolarHBondContact N-O 3.24Å; V116-V133 PolarHBondContact O-N 2.99Å; V118-V133 HydrophobicContact CG2-CG2 4.17Å |
| 134 | R | 87.7 | Confident | 84.3 | Confident | 119 Ų | 119 | 62.2 Ų | 62.2 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.1 | 176 | -58 | -170.8 | -179.9 | -165.6 | -3.5 | 109.6 | T42 I43 V44 V115 E132 | T42-R134 PolarHBondContact O-N 2.83Å; I43-R134 CarbonylContact C-O 3.59Å; I43-R134 WeakPolarHBondContact CA-O 3.16Å; V44-R134 PolarHBondContact N-O 3.2Å; V115-R134 HydrophobicContact CG1-CG 4.23Å; V115-R134 HydrophobicContact CG2-CG 4.1Å; E132-R134 IonicContact OE1-CZ 3.03Å; E132-R134 IonicContact OE1-NE 3.65Å; E132-R134 PolarHBondContact OE1-NE 3.33Å; E132-R134 IonicContact OE1-NH2 3.66Å; E132-R134 PolarHBondContact OE1-NH2 3.4Å; E132-R134 IonicContact OE2-NH2 3.45Å |
| 135 | I | 86.9 | Confident | 85 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.4 | 176 | -57.3 | 147.8 | 0 | 0 | 0 | 105.8 | V44 I46 L56 V85 S113 I114 | V44-I135 HydrophobicContact CB-CG1 4.35Å; V44-I135 CarbonylContact O-C 3.6Å; V44-I135 WeakPolarHBondContact O-CA 3.39Å; I46-I135 HydrophobicContact CD1-CG2 3.53Å; I46-I135 HydrophobicContact CG1-CG2 3.76Å; L56-I135 HydrophobicContact CD1-CD1 3.69Å; L56-I135 HydrophobicContact CD1-CG1 4.41Å; L56-I135 HydrophobicContact CD2-CD1 4.27Å; L56-I135 HydrophobicContact CD2-CG1 4.24Å; L56-I135 HydrophobicContact CD2-CG2 3.94Å; V85-I135 HydrophobicContact CG2-CD1 3.56Å; S113-I135 CarbonylContact C-O 3.56Å; S113-I135 WeakPolarHBondContact CA-O 3.43Å; S113-I135 WeakPolarHBondContact CB-O 3.21Å; I114-I135 HydrophobicContact CB-CB 4.25Å; I114-I135 HydrophobicContact CB-CD1 4.14Å; I114-I135 HydrophobicContact CG2-CD1 4.05Å; I114-I135 PolarHBondContact N-O 2.89Å; I114-I135 PolarHBondContact O-N 2.71Å |
| 136 | V | 87.5 | Confident | 85.6 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 39% | 0.388 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.1 | 179.1 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | I43 V44 A45 I46 | I43-V136 HydrophobicContact CG2-CG2 4.21Å; V44-V136 PolarHBondContact O-N 2.86Å; A45-V136 WeakPolarHBondContact CA-O 3.37Å; I46-V136 PolarHBondContact N-O 2.89Å |
| 137 | V | 87.4 | Confident | 86.2 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.03 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 138.1 | 176.8 | -174 | 0 | 0 | 0 | 0 | 109.3 | I46 E48 L103 R105 I111 H112 | I46-V137 CarbonylContact O-C 3.54Å; I46-V137 WeakPolarHBondContact O-CA 3.18Å; E48-V137 HydrophobicContact CB-CG1 3.76Å; L103-V137 HydrophobicContact CD1-CG2 3.98Å; L103-V137 HydrophobicContact CD2-CG1 4.17Å; L103-V137 HydrophobicContact CD2-CG2 3.97Å; L103-V137 HydrophobicContact CG-CG1 4.23Å; L103-V137 HydrophobicContact CG-CG2 4.14Å; R105-V137 HydrophobicContact CB-CG1 4.34Å; I111-V137 WeakPolarHBondContact O-CB 3.38Å; I111-V137 WeakPolarHBondContact O-CG2 3.16Å; H112-V137 PolarHBondContact O-N 2.86Å |
| 138 | R | 85.3 | Confident | 86.4 | Confident | 126 Ų | 126 | 57.5 Ų | 57.5 | 48% | 0.475 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 143.6 | 177.9 | -56.2 | -169.8 | -58.4 | -164.8 | 0.7 | 110.9 | A45 I46 D47 E48 | A45-R138 HydrophobicContact CB-CG 4.34Å; I46-R138 PolarHBondContact O-N 2.81Å; D47-R138 IonicContact OD1-CZ 2.69Å; D47-R138 IonicContact OD1-NE 3.77Å; D47-R138 PolarHBondContact OD1-NE 2.72Å; D47-R138 IonicContact OD1-NH2 2.61Å; D47-R138 PolarHBondContact OD1-NH2 2.88Å; D47-R138 IonicContact OD2-CZ 3.99Å; D47-R138 IonicContact OD2-NH2 3.98Å; D47-R138 PolarHBondContact OD2-NH2 3.14Å; E48-R138 PolarHBondContact N-O 2.84Å |
| 139 | D | 85.5 | Confident | 86.6 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 16% | 0.16 | 27% | 0.272 | C | S | . | . | trans | -57.1 | 151 | 176.9 | -137.5 | 79.2 | 0 | 0 | 0 | 115.8 | E48 R105 D181 N184 | E48-D139 WeakPolarHBondContact OE1-CA 3.4Å; R105-D139 WeakPolarHBondContact CD-OD1 3.21Å; R105-D139 IonicContact CZ-OD1 3.04Å; R105-D139 IonicContact NE-OD1 2.7Å; R105-D139 IonicContact NH1-OD1 2.88Å; R105-D139 PolarHBondContact NH1-OD1 2.84Å; D139-D181 WeakPolarHBondContact OD1-CA 3.21Å; D139-D181 VanDerWaalsContact OD1-CB 3.31Å; D139-D181 WeakPolarHBondContact OD1-CB 3.35Å; D139-D181 PolarHBondContact OD1-N 2.95Å; D139-D181 PolarHBondContact OD2-N 2.88Å; D139-N184 PolarHBondContact OD2-ND2 2.93Å | ||
| 140 | R | 84.9 | Confident | 86.6 | Confident | 124 Ų | 124 | 65 Ų | 65 | 47% | 0.468 | 30% | 0.302 | S | S | . | . | trans | -132.5 | 143.3 | 161.7 | -57.8 | -173.7 | 81.7 | -140.6 | -11.5 | 109.8 | E48 E49 D142 | E48-R140 HydrophobicContact CG-CB 4.41Å; E48-R140 HydrophobicContact CG-CG 3.94Å; E48-R140 PolarHBondContact OE1-N 2.63Å; E49-R140 IonicContact OE2-CZ 3.73Å; E49-R140 IonicContact OE2-NH1 2.65Å; E49-R140 PolarHBondContact OE2-NH1 2.84Å; R140-D142 VanDerWaalsContact C-N 3.31Å; R140-D142 WeakPolarHBondContact O-CB 3.09Å; R140-D142 PolarHBondContact O-N 3.09Å | ||
| 141 | N | 86.7 | Confident | 86.8 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | trans | -72.9 | 82.9 | -179.7 | -155.9 | 82.1 | 0 | 0 | 0 | 110.8 | D180 N184 D236 A238 E243 R245 | N141-D180 WeakPolarHBondContact CA-OD2 3.32Å; N141-N184 HydrophobicContact CB-CB 4.49Å; N141-N184 PolarHBondContact N-ND2 2.86Å; N141-N184 WeakPolarHBondContact OD1-CA 3.35Å; N141-N184 WeakPolarHBondContact OD1-CB 3.41Å; N141-N184 PolarHBondContact OD1-OD1 3.04Å; N141-D236 PolarHBondContact ND2-OD2 2.87Å; N141-A238 HydrophobicContact CB-CB 4.28Å; N141-E243 PolarHBondContact ND2-O 2.88Å; N141-R245 PolarHBondContact O-NE 2.82Å; N141-R245 PolarHBondContact O-NH2 2.95Å | ||
| 142 | D | 85.4 | Confident | 87.1 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 42% | 0.422 | 29% | 0.291 | S | S | . | . | trans | -114.4 | -29.1 | -159 | 175.2 | -93.1 | 0 | 0 | 0 | 112.4 | R140 D180 R245 | R140-D142 VanDerWaalsContact C-N 3.31Å; R140-D142 WeakPolarHBondContact O-CB 3.09Å; R140-D142 PolarHBondContact O-N 3.09Å; D142-D180 PolarHBondContact N-OD2 3.24Å; D142-R245 VanDerWaalsContact C-CZ 3.47Å; D142-R245 VanDerWaalsContact C-NH2 3.25Å; D142-R245 PolarHBondContact O-NH1 2.82Å; D142-R245 PolarHBondContact O-NH2 3.46Å | ||
| 143 | N | 85.6 | Confident | 87.3 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -102.1 | -159.6 | 175.2 | -61.1 | -82.6 | 0 | 0 | 0 | 111.8 | I179 D180 R245 | N143-I179 HydrophobicContact CB-CD1 4.2Å; N143-I179 HydrophobicContact CB-CG1 3.62Å; N143-I179 VanDerWaalsContact CG-CG1 3.43Å; N143-I179 WeakPolarHBondContact ND2-CG1 3.45Å; N143-D180 WeakPolarHBondContact CB-OD1 3.26Å; N143-D180 PolarHBondContact N-OD1 2.89Å; N143-D180 PolarHBondContact N-OD2 2.82Å; N143-D180 PolarHBondContact ND2-OD1 3.46Å; N143-R245 WeakPolarHBondContact O-CD 3.09Å; N143-R245 VanDerWaalsContact O-CZ 3.23Å; N143-R245 PolarHBondContact O-NE 2.87Å; N143-R245 PolarHBondContact O-NH1 2.58Å |
| 144 | S | 87.5 | Confident | 87.5 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | trans | -156 | 151.6 | -177.3 | -54 | 0 | 0 | 0 | 0 | 110.8 | T146 D178 R245 | S144-T146 PolarHBondContact O-N 2.97Å; S144-D178 VanDerWaalsContact CA-OD2 3.32Å; S144-D178 WeakPolarHBondContact CA-OD2 3.32Å; S144-D178 PolarHBondContact N-OD1 3.14Å; S144-R245 WeakPolarHBondContact OG-CD 3.32Å; S144-R245 PolarHBondContact OG-NH1 3.19Å | ||
| 145 | P | 89.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -62.4 | 131.3 | -179.8 | -23.4 | 34 | 0 | 0 | 0 | 110.5 | A176 D178 I187 A234 D236 T247 | P145-A176 HydrophobicContact CB-CB 4.33Å; P145-D178 WeakPolarHBondContact CD-OD2 3.36Å; P145-D178 HydrophobicContact CG-CB 4.44Å; P145-D178 WeakPolarHBondContact CG-OD2 3.35Å; P145-I187 HydrophobicContact CB-CD1 4.01Å; P145-I187 HydrophobicContact CB-CG1 4.15Å; P145-I187 HydrophobicContact CG-CG1 4.23Å; P145-A234 HydrophobicContact CB-CB 4.12Å; P145-D236 HydrophobicContact CG-CB 4.14Å; P145-T247 WeakPolarHBondContact O-CB 3.37Å; P145-T247 WeakPolarHBondContact O-CG2 3.01Å; P145-T247 PolarHBondContact O-OG1 2.87Å | ||
| 146 | T | 89.5 | Confident | 87.7 | Confident | 78 Ų | 78 | 65.6 Ų | 65.6 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 119.7 | -179 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | S144 A176 T177 | S144-T146 PolarHBondContact O-N 2.97Å; T146-A176 CarbonylContact O-C 3.51Å; T146-A176 WeakPolarHBondContact O-CA 3.17Å; T146-T177 PolarHBondContact N-O 2.73Å; T146-T177 PolarHBondContact O-N 3.18Å; T146-T177 PolarHBondContact O-OG1 3.06Å; T146-T177 PolarHBondContact OG1-O 3.3Å; T146-T177 PolarHBondContact OG1-OG1 3.16Å |
| 147 | F | 90 | Very high | 87.6 | Confident | 33 Ų | 33 | 65 Ų | 65 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 138.2 | 172.7 | -76.7 | -78.2 | 0 | 0 | 0 | 111 | H149 Y152 F170 A176 Y189 I232 A234 T249 | F147-H149 VanDerWaalsContact C-N 3.34Å; F147-H149 PolarHBondContact O-N 3.25Å; F147-Y152 AromaticContact CD1-CE2 3.99Å; F147-Y152 HydrophobicContact CD1-CE2 3.99Å; F147-F170 HydrophobicContact CD1-CD1 4.41Å; F147-F170 HydrophobicContact CD1-CE1 4.27Å; F147-F170 AromaticContact CE1-CD1 3.91Å; F147-F170 HydrophobicContact CE1-CD1 3.91Å; F147-F170 AromaticContact CE1-CE1 3.78Å; F147-F170 HydrophobicContact CE1-CE1 3.78Å; F147-A176 HydrophobicContact CD1-CB 3.87Å; F147-A176 HydrophobicContact CD2-CB 4.45Å; F147-A176 HydrophobicContact CE1-CB 4.02Å; F147-A176 HydrophobicContact CG-CB 4.11Å; F147-A176 HydrophobicContact CZ-CB 4.37Å; F147-Y189 HydrophobicContact CE1-CD1 4.29Å; F147-Y189 AromaticContact CE1-CE1 3.78Å; F147-Y189 HydrophobicContact CE1-CE1 3.78Å; F147-Y189 HydrophobicContact CZ-CD1 4.24Å; F147-Y189 HydrophobicContact CZ-CE1 4.09Å; F147-I232 HydrophobicContact CZ-CG2 4.34Å; F147-A234 HydrophobicContact CE1-CB 4.35Å; F147-A234 HydrophobicContact CE2-CB 3.6Å; F147-A234 HydrophobicContact CZ-CB 3.51Å; F147-T249 HydrophobicContact CD1-CG2 3.69Å; F147-T249 HydrophobicContact CD2-CG2 3.92Å; F147-T249 HydrophobicContact CE1-CG2 3.49Å; F147-T249 VanDerWaalsContact CE1-CG2 3.49Å; F147-T249 HydrophobicContact CE2-CG2 3.75Å; F147-T249 HydrophobicContact CG-CG2 3.89Å; F147-T249 HydrophobicContact CZ-CG2 3.52Å |
| 148 | K | 85.9 | Confident | 87.7 | Confident | 118 Ų | 118 | 65.3 Ų | 65.3 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -68.5 | -29.2 | 179.1 | -174.2 | -177.8 | -179.9 | -174.1 | 0 | 114.3 | D173 N174 G175 | K148-D173 VanDerWaalsContact CD-O 3.28Å; K148-D173 WeakPolarHBondContact CD-O 3.35Å; K148-D173 WeakPolarHBondContact CE-O 3.44Å; K148-D173 PolarHBondContact NZ-O 2.71Å; K148-N174 HydrophobicContact CD-CB 4.47Å; K148-N174 PolarHBondContact NZ-OD1 3.05Å; K148-G175 PolarHBondContact N-O 2.81Å |
| 149 | H | 86.3 | Confident | 87.8 | Confident | 86 Ų | 86 | 63.6 Ų | 63.6 | 40% | 0.398 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -127.6 | 146.8 | 178.2 | -54 | -81.9 | 0 | 0 | 0 | 109.8 | F147 S151 Y152 N174 | F147-H149 VanDerWaalsContact C-N 3.34Å; F147-H149 PolarHBondContact O-N 3.25Å; H149-S151 VanDerWaalsContact C-N 3.33Å; H149-Y152 HydrophobicContact CB-CE1 4.26Å; H149-Y152 HydrophobicContact CB-CE2 4.15Å; H149-Y152 AromaticContact CD2-CE1 3.69Å; H149-Y152 AromaticContact CD2-CZ 3.95Å; H149-Y152 PolarHBondContact N-OH 3.1Å; H149-Y152 WeakPolarHBondContact O-CE2 3.49Å; H149-N174 PolarHBondContact NE2-OD1 3.13Å; H149-N174 VanDerWaalsContact NE2-OD1 3.13Å |
| 150 | E | 85.4 | Confident | 87.8 | Confident | 191 Ų | 191 | 63.5 Ų | 63.5 | 89% | 0.893 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -68 | -33.4 | 178.9 | -62.1 | -174.4 | 157.5 | 0 | 0 | 112.2 | T249 | E150-T249 PolarHBondContact O-OG1 2.81Š|
| 151 | S | 88.7 | Confident | 88 | Confident | 44 Ų | 44 | 62 Ų | 62 | 31% | 0.308 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 160.7 | 175.5 | 61.9 | 0 | 0 | 0 | 0 | 112 | H149 T250 | H149-S151 VanDerWaalsContact C-N 3.33Å; S151-T250 WeakPolarHBondContact CA-O 3.25Å |
| 152 | Y | 90.6 | Very high | 88.1 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 4% | 0.039 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 156 | 178.7 | -63.3 | -99.6 | 0 | 0 | 0 | 109.8 | F147 H149 F167 F170 N174 T249 T250 L251 T252 | F147-Y152 AromaticContact CD1-CE2 3.99Å; F147-Y152 HydrophobicContact CD1-CE2 3.99Å; H149-Y152 HydrophobicContact CB-CE1 4.26Å; H149-Y152 HydrophobicContact CB-CE2 4.15Å; H149-Y152 AromaticContact CD2-CE1 3.69Å; H149-Y152 AromaticContact CD2-CZ 3.95Å; H149-Y152 PolarHBondContact N-OH 3.1Å; H149-Y152 WeakPolarHBondContact O-CE2 3.49Å; Y152-F167 HydrophobicContact CD1-CE1 4.39Å; Y152-F167 AromaticContact CD1-CZ 3.81Å; Y152-F167 HydrophobicContact CD1-CZ 3.81Å; Y152-F167 HydrophobicContact CG-CZ 4.2Å; Y152-F170 HydrophobicContact CD1-CE1 4.15Å; Y152-F170 AromaticContact CD2-CE1 3.69Å; Y152-F170 HydrophobicContact CD2-CE1 3.69Å; Y152-F170 HydrophobicContact CD2-CZ 4.18Å; Y152-F170 HydrophobicContact CE1-CD1 4.36Å; Y152-F170 HydrophobicContact CE1-CE1 4.11Å; Y152-F170 AromaticContact CE2-CE1 3.72Å; Y152-F170 HydrophobicContact CE2-CE1 3.72Å; Y152-F170 AromaticContact CG-CE1 3.93Å; Y152-F170 HydrophobicContact CG-CE1 3.93Å; Y152-F170 HydrophobicContact CG-CZ 4.27Å; Y152-F170 AromaticContact CZ-CE1 3.92Å; Y152-N174 WeakPolarHBondContact CE1-O 3.36Å; Y152-N174 PolarHBondContact OH-O 3.41Å; Y152-T249 HydrophobicContact CD2-CG2 3.86Å; Y152-T249 WeakPolarHBondContact CD2-OG1 3.28Å; Y152-T249 HydrophobicContact CE2-CG2 3.8Å; Y152-T249 WeakPolarHBondContact CE2-OG1 3.46Å; Y152-T250 PolarHBondContact N-O 2.86Å; Y152-L251 CarbonylContact O-C 3.48Å; Y152-L251 WeakPolarHBondContact O-CA 3.35Å; Y152-T252 PolarHBondContact O-N 2.83Å |
| 153 | Y | 90.4 | Very high | 88.2 | Confident | 157 Ų | 157 | 63.2 Ų | 63.2 | 62% | 0.616 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143.1 | -175.9 | -65.1 | -91.6 | 0 | 0 | 0 | 111.1 | T252 | Y153-T252 CarbonylContact C-O 3.43Å; Y153-T252 WeakPolarHBondContact CA-O 3.45Å; Y153-T252 HydrophobicContact CD1-CG2 4.26Å; Y153-T252 HydrophobicContact CE1-CG2 4.29Å |
| 154 | A | 89.9 | Confident | 88.4 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 12% | 0.124 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 151.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F167 L251 T252 V253 D254 | A154-F167 HydrophobicContact CB-CB 4.46Å; A154-F167 HydrophobicContact CB-CD2 3.95Å; A154-L251 HydrophobicContact CB-CD1 4.17Å; A154-T252 PolarHBondContact N-O 2.83Å; A154-V253 WeakPolarHBondContact O-CA 3.39Å; A154-D254 PolarHBondContact O-N 3.34Å |
| 155 | T | 89.5 | Confident | 88.5 | Confident | 96 Ų | 96 | 64.8 Ų | 64.8 | 59% | 0.589 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143.3 | 170.9 | 43.3 | 0 | 0 | 0 | 0 | 110 | D254 | T155-D254 WeakPolarHBondContact CA-O 3.41Å; T155-D254 HydrophobicContact CG2-CB 4.08Å |
| 156 | V | 89.6 | Confident | 88.5 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 6% | 0.055 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 128.4 | -179 | 57.1 | 0 | 0 | 0 | 0 | 110 | T160 I166 L220 V253 D254 V255 L256 | V156-T160 HydrophobicContact CG2-CG2 4Å; V156-T160 WeakPolarHBondContact CG2-OG1 3.41Å; V156-I166 HydrophobicContact CB-CG2 4.31Å; V156-I166 HydrophobicContact CG2-CG2 3.84Å; V156-L220 HydrophobicContact CB-CD1 4.39Å; V156-L220 HydrophobicContact CG1-CD1 3.58Å; V156-L220 HydrophobicContact CG2-CD1 3.91Å; V156-V253 HydrophobicContact CG1-CG1 3.53Å; V156-D254 PolarHBondContact N-O 3.4Å; V156-V255 CarbonylContact O-C 3.47Å; V156-V255 WeakPolarHBondContact O-CA 3.44Å; V156-L256 PolarHBondContact O-N 3Å |
| 157 | N | 86.5 | Confident | 88.4 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 142.8 | 173.4 | 175.9 | -85.6 | 0 | 0 | 0 | 110.3 | L159 T160 L256 D257 | N157-L159 VanDerWaalsContact C-N 3.29Å; N157-L159 PolarHBondContact O-N 3.16Å; N157-L159 VanDerWaalsContact OD1-CB 3.24Å; N157-L159 WeakPolarHBondContact OD1-CB 3.45Å; N157-L159 WeakPolarHBondContact OD1-CG 3.36Å; N157-L159 PolarHBondContact OD1-N 3.18Å; N157-T160 WeakPolarHBondContact O-CB 3.2Å; N157-T160 PolarHBondContact O-N 2.69Å; N157-T160 PolarHBondContact O-OG1 2.81Å; N157-L256 WeakPolarHBondContact CA-O 3.35Å; N157-L256 HydrophobicContact CB-CB 4.35Å; N157-L256 PolarHBondContact ND2-O 2.95Å; N157-D257 PolarHBondContact ND2-O 2.76Å; N157-D257 VanDerWaalsContact ND2-O 3.15Å |
| 158 | E | 88.3 | Confident | 88.2 | Confident | 10 Ų | 10 | 65.7 Ų | 65.7 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27.7 | -172.5 | 73.8 | -164.7 | 111.3 | 0 | 0 | 115.1 | T160 L220 N221 Y222 V255 L256 D257 G258 | E158-T160 PolarHBondContact O-N 3.01Å; E158-T160 VanDerWaalsContact O-N 3.1Å; E158-L220 HydrophobicContact CB-CB 3.87Å; E158-N221 VanDerWaalsContact OE2-CA 3.25Å; E158-N221 WeakPolarHBondContact OE2-CA 3.31Å; E158-Y222 VanDerWaalsContact OE1-CB 3.23Å; E158-Y222 WeakPolarHBondContact OE1-CB 3.49Å; E158-Y222 WeakPolarHBondContact OE2-CB 3.43Å; E158-Y222 PolarHBondContact OE2-N 2.96Å; E158-V255 HydrophobicContact CB-CG1 3.92Å; E158-L256 PolarHBondContact N-O 3.13Å; E158-D257 VanDerWaalsContact OE1-CA 3.28Å; E158-D257 WeakPolarHBondContact OE1-CA 3.26Å; E158-G258 PolarHBondContact OE1-N 2.95Å |
| 159 | L | 86.9 | Confident | 87.8 | Confident | 91 Ų | 91 | 61 Ų | 61 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -4.7 | 174.5 | -53.3 | 174.9 | 0 | 0 | 0 | 112.5 | N157 P161 D260 | N157-L159 VanDerWaalsContact C-N 3.29Å; N157-L159 PolarHBondContact O-N 3.16Å; N157-L159 VanDerWaalsContact OD1-CB 3.24Å; N157-L159 WeakPolarHBondContact OD1-CB 3.45Å; N157-L159 WeakPolarHBondContact OD1-CG 3.36Å; N157-L159 PolarHBondContact OD1-N 3.18Å; L159-P161 WeakPolarHBondContact O-CD 3.1Å; L159-D260 HydrophobicContact CD2-CB 4.31Å |
| 160 | T | 86.6 | Confident | 87.7 | Confident | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.172 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 121.4 | 176.7 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | V156 N157 E158 T164 L216 | V156-T160 HydrophobicContact CG2-CG2 4Å; V156-T160 WeakPolarHBondContact CG2-OG1 3.41Å; N157-T160 WeakPolarHBondContact O-CB 3.2Å; N157-T160 PolarHBondContact O-N 2.69Å; N157-T160 PolarHBondContact O-OG1 2.81Å; E158-T160 PolarHBondContact O-N 3.01Å; E158-T160 VanDerWaalsContact O-N 3.1Å; T160-T164 HydrophobicContact CG2-CG2 3.78Å; T160-L216 HydrophobicContact CG2-CD2 3.93Å; T160-L216 WeakPolarHBondContact O-CD2 3.37Å |
| 161 | P | 88.9 | Confident | 87.1 | Confident | 91 Ų | 91 | 51 Ų | 51 | 59% | 0.591 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 139.9 | -179.9 | -26.2 | 35.8 | 0 | 0 | 0 | 113.2 | L159 G163 T164 | L159-P161 WeakPolarHBondContact O-CD 3.1Å; P161-G163 PolarHBondContact O-N 3Å; P161-T164 VanDerWaalsContact O-CB 3.27Å; P161-T164 WeakPolarHBondContact O-CB 3.43Å; P161-T164 PolarHBondContact O-N 2.75Å; P161-T164 VanDerWaalsContact O-N 3.1Å; P161-T164 PolarHBondContact O-OG1 2.8Å |
| 162 | V | 88.5 | Confident | 86.3 | Confident | 76 Ų | 76 | 52 Ų | 52 | 46% | 0.461 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 133.9 | 170.2 | -179.9 | 0 | 0 | 0 | 0 | 110 | R217 K218 R219 | V162-R217 WeakPolarHBondContact CG1-O 3.5Å; V162-K218 VanDerWaalsContact CG2-C 3.47Å; V162-R219 HydrophobicContact CG2-CG 3.99Å |
| 163 | G | 88.3 | Confident | 85.5 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 53% | 0.526 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -7.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | P161 V215 L216 | P161-G163 PolarHBondContact O-N 3Å; G163-V215 WeakPolarHBondContact O-CG1 3.1Å; G163-L216 PolarHBondContact N-O 2.91Å |
| 164 | T | 88.3 | Confident | 85.1 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 36% | 0.356 | 34% | 0.343 | S | S | . | . | trans | -72.3 | 137.3 | 175.1 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | T160 P161 V215 L216 | T160-T164 HydrophobicContact CG2-CG2 3.78Å; P161-T164 VanDerWaalsContact O-CB 3.27Å; P161-T164 WeakPolarHBondContact O-CB 3.43Å; P161-T164 PolarHBondContact O-N 2.75Å; P161-T164 VanDerWaalsContact O-N 3.1Å; P161-T164 PolarHBondContact O-OG1 2.8Å; T164-V215 WeakPolarHBondContact O-CA 3.4Å; T164-L216 PolarHBondContact O-N 2.93Å | ||
| 165 | T | 90.2 | Very high | 84.7 | Confident | 66 Ų | 66 | 52.9 Ų | 52.9 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 118.2 | 171.8 | -55.7 | 0 | 0 | 0 | 0 | 109.5 | T168 N213 V214 V215 | T165-T168 HydrophobicContact CG2-CG2 3.77Å; T165-N213 HydrophobicContact CG2-CB 3.91Å; T165-V214 CarbonylContact C-O 3.5Å; T165-V214 WeakPolarHBondContact CA-O 3.3Å; T165-V214 WeakPolarHBondContact CG2-O 3.44Å; T165-V215 HydrophobicContact CG2-CG2 4.48Å |
| 166 | I | 89.4 | Confident | 84.6 | Confident | 28 Ų | 28 | 48.8 Ų | 48.8 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -21.1 | -175.6 | 61.3 | 162.2 | 0 | 0 | 0 | 113.3 | V156 F204 V214 L216 V253 | V156-I166 HydrophobicContact CB-CG2 4.31Å; V156-I166 HydrophobicContact CG2-CG2 3.84Å; I166-F204 HydrophobicContact CD1-CD1 3.49Å; I166-F204 VanDerWaalsContact CD1-CD1 3.49Å; I166-F204 HydrophobicContact CD1-CE1 3.52Å; I166-V214 HydrophobicContact CD1-CG1 4.11Å; I166-V214 HydrophobicContact CG1-CB 4.19Å; I166-V214 HydrophobicContact CG1-CG1 4.05Å; I166-V214 WeakPolarHBondContact CG1-O 3.3Å; I166-V214 PolarHBondContact N-O 3.18Å; I166-L216 HydrophobicContact CG2-CB 4.14Å; I166-V253 HydrophobicContact CD1-CG1 4.04Å; I166-V253 HydrophobicContact CD1-CG2 4.14Å |
| 167 | F | 88.5 | Confident | 84.5 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 11% | 0.114 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 128.8 | -178.5 | -171.2 | -102.5 | 0 | 0 | 0 | 112 | Y152 A154 G169 F170 N213 V214 L251 | Y152-F167 HydrophobicContact CD1-CE1 4.39Å; Y152-F167 AromaticContact CD1-CZ 3.81Å; Y152-F167 HydrophobicContact CD1-CZ 3.81Å; Y152-F167 HydrophobicContact CG-CZ 4.2Å; A154-F167 HydrophobicContact CB-CB 4.46Å; A154-F167 HydrophobicContact CB-CD2 3.95Å; F167-G169 VanDerWaalsContact CZ-CA 3.47Å; F167-F170 AromaticContact CD1-CD2 3.72Å; F167-F170 HydrophobicContact CD1-CD2 3.72Å; F167-F170 AromaticContact CD1-CE2 3.59Å; F167-F170 HydrophobicContact CD1-CE2 3.59Å; F167-F170 HydrophobicContact CD1-CZ 4.28Å; F167-F170 HydrophobicContact CE1-CD1 4.24Å; F167-F170 AromaticContact CE1-CD2 3.58Å; F167-F170 HydrophobicContact CE1-CD2 3.58Å; F167-F170 HydrophobicContact CE1-CE1 4.12Å; F167-F170 AromaticContact CE1-CE2 3.45Å; F167-F170 HydrophobicContact CE1-CE2 3.45Å; F167-F170 VanDerWaalsContact CE1-CE2 3.45Å; F167-F170 AromaticContact CE1-CG 3.97Å; F167-F170 HydrophobicContact CE1-CG 3.97Å; F167-F170 AromaticContact CE1-CZ 3.73Å; F167-F170 HydrophobicContact CE1-CZ 3.73Å; F167-N213 WeakPolarHBondContact O-CA 3.32Å; F167-V214 HydrophobicContact CB-CB 4.15Å; F167-V214 HydrophobicContact CB-CG2 4.33Å; F167-V214 HydrophobicContact CD1-CG2 4.47Å; F167-V214 PolarHBondContact N-O 3.15Å; F167-V214 PolarHBondContact O-N 2.98Å; F167-L251 HydrophobicContact CB-CD2 4.13Å; F167-L251 HydrophobicContact CD1-CD1 4.28Å; F167-L251 HydrophobicContact CD1-CD2 4.09Å; F167-L251 HydrophobicContact CD2-CD1 4.05Å; F167-L251 HydrophobicContact CE1-CD1 4.36Å; F167-L251 HydrophobicContact CE2-CD1 4.13Å; F167-L251 HydrophobicContact CG-CD1 4.12Å; F167-L251 HydrophobicContact CG-CD2 4.11Å; F167-L251 HydrophobicContact CZ-CD1 4.29Å |
| 168 | T | 86.4 | Confident | 84.6 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 46% | 0.46 | 32% | 0.324 | S | S | . | . | trans | -122.3 | 7.2 | 177.5 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | T165 F170 S171 | T165-T168 HydrophobicContact CG2-CG2 3.77Å; T168-F170 PolarHBondContact O-N 2.77Å; T168-F170 VanDerWaalsContact O-N 3.08Å; T168-S171 WeakPolarHBondContact O-CB 3.23Å; T168-S171 PolarHBondContact O-N 2.84Å; T168-S171 PolarHBondContact O-OG 2.9Å | ||
| 169 | G | 77.4 | Confident | 84.6 | Confident | 19 Ų | 19 | 54 Ų | 54 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -2.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | F167 S171 N174 | F167-G169 VanDerWaalsContact CZ-CA 3.47Å; G169-S171 VanDerWaalsContact C-N 3.34Å; G169-N174 CarbonylContact O-C 3.46Å; G169-N174 PolarHBondContact O-ND2 2.81Å; G169-N174 VanDerWaalsContact O-ND2 3.08Å |
| 170 | F | 82.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -2.6 | 169.2 | -59.7 | -57.8 | 0 | 0 | 0 | 113.7 | F147 Y152 F167 T168 G175 Y189 G212 V214 I232 T249 | F147-F170 HydrophobicContact CD1-CD1 4.41Å; F147-F170 HydrophobicContact CD1-CE1 4.27Å; F147-F170 AromaticContact CE1-CD1 3.91Å; F147-F170 HydrophobicContact CE1-CD1 3.91Å; F147-F170 AromaticContact CE1-CE1 3.78Å; F147-F170 HydrophobicContact CE1-CE1 3.78Å; Y152-F170 HydrophobicContact CD1-CE1 4.15Å; Y152-F170 AromaticContact CD2-CE1 3.69Å; Y152-F170 HydrophobicContact CD2-CE1 3.69Å; Y152-F170 HydrophobicContact CD2-CZ 4.18Å; Y152-F170 HydrophobicContact CE1-CD1 4.36Å; Y152-F170 HydrophobicContact CE1-CE1 4.11Å; Y152-F170 AromaticContact CE2-CE1 3.72Å; Y152-F170 HydrophobicContact CE2-CE1 3.72Å; Y152-F170 AromaticContact CG-CE1 3.93Å; Y152-F170 HydrophobicContact CG-CE1 3.93Å; Y152-F170 HydrophobicContact CG-CZ 4.27Å; Y152-F170 AromaticContact CZ-CE1 3.92Å; F167-F170 AromaticContact CD1-CD2 3.72Å; F167-F170 HydrophobicContact CD1-CD2 3.72Å; F167-F170 AromaticContact CD1-CE2 3.59Å; F167-F170 HydrophobicContact CD1-CE2 3.59Å; F167-F170 HydrophobicContact CD1-CZ 4.28Å; F167-F170 HydrophobicContact CE1-CD1 4.24Å; F167-F170 AromaticContact CE1-CD2 3.58Å; F167-F170 HydrophobicContact CE1-CD2 3.58Å; F167-F170 HydrophobicContact CE1-CE1 4.12Å; F167-F170 AromaticContact CE1-CE2 3.45Å; F167-F170 HydrophobicContact CE1-CE2 3.45Å; F167-F170 VanDerWaalsContact CE1-CE2 3.45Å; F167-F170 AromaticContact CE1-CG 3.97Å; F167-F170 HydrophobicContact CE1-CG 3.97Å; F167-F170 AromaticContact CE1-CZ 3.73Å; F167-F170 HydrophobicContact CE1-CZ 3.73Å; T168-F170 PolarHBondContact O-N 2.77Å; T168-F170 VanDerWaalsContact O-N 3.08Å; F170-G175 WeakPolarHBondContact O-CA 3.46Å; F170-Y189 HydrophobicContact CB-CE1 4.28Å; F170-Y189 HydrophobicContact CB-CE2 4.18Å; F170-Y189 HydrophobicContact CD1-CE1 4.47Å; F170-Y189 HydrophobicContact CG-CE1 4.46Å; F170-Y189 PolarHBondContact O-OH 2.88Å; F170-G212 WeakPolarHBondContact CD2-O 3.23Å; F170-V214 HydrophobicContact CE2-CG2 4.29Å; F170-I232 HydrophobicContact CE2-CB 4.44Å; F170-I232 HydrophobicContact CE2-CG1 3.98Å; F170-I232 HydrophobicContact CE2-CG2 3.97Å; F170-I232 HydrophobicContact CZ-CB 4.12Å; F170-I232 HydrophobicContact CZ-CG1 3.82Å; F170-I232 HydrophobicContact CZ-CG2 3.95Å; F170-T249 HydrophobicContact CE1-CG2 4.08Å; F170-T249 HydrophobicContact CZ-CG2 4.33Å |
| 171 | S | 72.8 | Confident | 84.4 | Confident | 65 Ų | 65 | 52.5 Ų | 52.5 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -89.1 | 147.1 | 176.1 | 66.2 | 0 | 0 | 0 | 0 | 112.5 | T168 G169 | T168-S171 WeakPolarHBondContact O-CB 3.23Å; T168-S171 PolarHBondContact O-N 2.84Å; T168-S171 PolarHBondContact O-OG 2.9Å; G169-S171 VanDerWaalsContact C-N 3.34Å |
| 172 | G | 72.5 | Confident | 84 | Confident | 64 Ų | 64 | 49.5 Ų | 49.5 | 66% | 0.66 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 65.7 | -155.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N174 G175 | G172-N174 PolarHBondContact O-N 2.78Å; G172-G175 PolarHBondContact O-N 3.04Å |
| 173 | D | 73.9 | Confident | 83.8 | Confident | 149 Ų | 149 | 48.4 Ų | 48.4 | 80% | 0.797 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 24.5 | -174 | -47.8 | -12.8 | 0 | 0 | 0 | 114.5 | K148 | K148-D173 VanDerWaalsContact CD-O 3.28Å; K148-D173 WeakPolarHBondContact CD-O 3.35Å; K148-D173 WeakPolarHBondContact CE-O 3.44Å; K148-D173 PolarHBondContact NZ-O 2.71Å |
| 174 | N | 81.3 | Confident | 83.7 | Confident | 51 Ų | 51 | 47 Ų | 47 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | -3.9 | -173.3 | -157 | 75.3 | 0 | 0 | 0 | 115.2 | K148 H149 Y152 G169 G172 | K148-N174 HydrophobicContact CD-CB 4.47Å; K148-N174 PolarHBondContact NZ-OD1 3.05Å; H149-N174 PolarHBondContact NE2-OD1 3.13Å; H149-N174 VanDerWaalsContact NE2-OD1 3.13Å; Y152-N174 WeakPolarHBondContact CE1-O 3.36Å; Y152-N174 PolarHBondContact OH-O 3.41Å; G169-N174 CarbonylContact O-C 3.46Å; G169-N174 PolarHBondContact O-ND2 2.81Å; G169-N174 VanDerWaalsContact O-ND2 3.08Å; G172-N174 PolarHBondContact O-N 2.78Å |
| 175 | G | 82.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -82.3 | -141.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.6 | K148 F170 G172 Y189 | K148-G175 PolarHBondContact N-O 2.81Å; F170-G175 WeakPolarHBondContact O-CA 3.46Å; G172-G175 PolarHBondContact O-N 3.04Å; G175-Y189 WeakPolarHBondContact CA-OH 3.48Å |
| 176 | A | 86.6 | Confident | 83.3 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 150.1 | 163 | 0 | 0 | 0 | 0 | 0 | 111.1 | P145 T146 F147 I187 Y189 A234 | P145-A176 HydrophobicContact CB-CB 4.33Å; T146-A176 CarbonylContact O-C 3.51Å; T146-A176 WeakPolarHBondContact O-CA 3.17Å; F147-A176 HydrophobicContact CD1-CB 3.87Å; F147-A176 HydrophobicContact CD2-CB 4.45Å; F147-A176 HydrophobicContact CE1-CB 4.02Å; F147-A176 HydrophobicContact CG-CB 4.11Å; F147-A176 HydrophobicContact CZ-CB 4.37Å; A176-I187 VanDerWaalsContact C-CD1 3.49Å; A176-I187 HydrophobicContact CB-CD1 3.92Å; A176-I187 WeakPolarHBondContact O-CD1 3.33Å; A176-Y189 HydrophobicContact CB-CE1 4.11Å; A176-Y189 PolarHBondContact N-OH 2.98Å; A176-A234 HydrophobicContact CB-CB 3.81Å |
| 177 | T | 88.3 | Confident | 83.3 | Confident | 74 Ų | 74 | 46.1 Ų | 46.1 | 45% | 0.454 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137.6 | 174.8 | 47.6 | 0 | 0 | 0 | 0 | 110.3 | T146 | T146-T177 PolarHBondContact N-O 2.73Å; T146-T177 PolarHBondContact O-N 3.18Å; T146-T177 PolarHBondContact O-OG1 3.06Å; T146-T177 PolarHBondContact OG1-O 3.3Å; T146-T177 PolarHBondContact OG1-OG1 3.16Å |
| 178 | D | 88.4 | Confident | 83.3 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 12% | 0.118 | 29% | 0.291 | C | S | . | . | trans | -122.9 | 155.9 | 169.1 | -153.2 | -23.7 | 0 | 0 | 0 | 108.1 | S144 P145 I187 | S144-D178 VanDerWaalsContact CA-OD2 3.32Å; S144-D178 WeakPolarHBondContact CA-OD2 3.32Å; S144-D178 PolarHBondContact N-OD1 3.14Å; P145-D178 WeakPolarHBondContact CD-OD2 3.36Å; P145-D178 HydrophobicContact CG-CB 4.44Å; P145-D178 WeakPolarHBondContact CG-OD2 3.35Å; D178-I187 HydrophobicContact CB-CD1 4.3Å | ||
| 179 | I | 87.5 | Confident | 83.6 | Confident | 87 Ų | 87 | 43.4 Ų | 43.4 | 45% | 0.446 | 27% | 0.271 | S | S | . | . | trans | -108.1 | -20.6 | -169.7 | 67.2 | 173.1 | 0 | 0 | 0 | 114.5 | N143 | N143-I179 HydrophobicContact CB-CD1 4.2Å; N143-I179 HydrophobicContact CB-CG1 3.62Å; N143-I179 VanDerWaalsContact CG-CG1 3.43Å; N143-I179 WeakPolarHBondContact ND2-CG1 3.45Å | ||
| 180 | D | 86.7 | Confident | 84.2 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -57.2 | 153.2 | 171.4 | -57.8 | -0.5 | 0 | 0 | 0 | 110.5 | N141 D142 N143 N184 G185 | N141-D180 WeakPolarHBondContact CA-OD2 3.32Å; D142-D180 PolarHBondContact N-OD2 3.24Å; N143-D180 WeakPolarHBondContact CB-OD1 3.26Å; N143-D180 PolarHBondContact N-OD1 2.89Å; N143-D180 PolarHBondContact N-OD2 2.82Å; N143-D180 PolarHBondContact ND2-OD1 3.46Å; D180-N184 HydrophobicContact CB-CB 3.48Å; D180-N184 VanDerWaalsContact CB-CB 3.48Å; D180-G185 WeakPolarHBondContact O-CA 3.48Å; D180-G185 PolarHBondContact O-N 2.7Å; D180-G185 VanDerWaalsContact O-N 3.08Å |
| 181 | D | 82.9 | Confident | 84.6 | Confident | 81 Ų | 81 | 46 Ų | 46 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | trans | -95.6 | 162.8 | -176.5 | 165.3 | 71.1 | 0 | 0 | 0 | 115 | R105 D139 N184 | R105-D181 IonicContact CZ-OD2 2.61Å; R105-D181 IonicContact NH1-OD2 2.72Å; R105-D181 PolarHBondContact NH1-OD2 2.83Å; R105-D181 IonicContact NH2-OD2 3.36Å; R105-D181 PolarHBondContact NH2-OD2 3.01Å; D139-D181 WeakPolarHBondContact OD1-CA 3.21Å; D139-D181 VanDerWaalsContact OD1-CB 3.31Å; D139-D181 WeakPolarHBondContact OD1-CB 3.35Å; D139-D181 PolarHBondContact OD1-N 2.95Å; D139-D181 PolarHBondContact OD2-N 2.88Å; D181-N184 PolarHBondContact O-N 2.79Å | ||
| 182 | G | 81.1 | Confident | 85.4 | Confident | 29 Ų | 29 | 46.7 Ų | 46.7 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | -123.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q186 | G182-Q186 WeakPolarHBondContact O-CG 3.22Å; G182-Q186 PolarHBondContact O-NE2 2.92Å |
| 183 | P | 83.9 | Confident | 86.2 | Confident | 53 Ų | 53 | 50 Ų | 50 | 34% | 0.344 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -25.8 | 175.2 | -15.2 | 31.2 | 0 | 0 | 0 | 113.7 | Q186 R237 | P183-Q186 PolarHBondContact O-N 3.06Å; P183-R237 CarbonylContact O-C 3.56Å; P183-R237 VanDerWaalsContact O-CB 3.31Å; P183-R237 WeakPolarHBondContact O-CB 3.24Å |
| 184 | N | 85.6 | Confident | 86.9 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -52.8 | -175.6 | -63.8 | -8.3 | 0 | 0 | 0 | 108.9 | D139 N141 D180 D181 Q186 D236 | D139-N184 PolarHBondContact OD2-ND2 2.93Å; N141-N184 HydrophobicContact CB-CB 4.49Å; N141-N184 PolarHBondContact N-ND2 2.86Å; N141-N184 WeakPolarHBondContact OD1-CA 3.35Å; N141-N184 WeakPolarHBondContact OD1-CB 3.41Å; N141-N184 PolarHBondContact OD1-OD1 3.04Å; D180-N184 HydrophobicContact CB-CB 3.48Å; D180-N184 VanDerWaalsContact CB-CB 3.48Å; D181-N184 PolarHBondContact O-N 2.79Å; N184-Q186 PolarHBondContact O-N 2.68Å; N184-D236 WeakPolarHBondContact O-CB 3.36Å |
| 185 | G | 83.8 | Confident | 87.2 | Confident | 26 Ų | 26 | 45.6 Ų | 45.6 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 6.7 | 172 | 0 | 0 | 0 | 0 | 0 | 118.1 | D180 | D180-G185 WeakPolarHBondContact O-CA 3.48Å; D180-G185 PolarHBondContact O-N 2.7Å; D180-G185 VanDerWaalsContact O-N 3.08Å |
| 186 | Q | 87.1 | Confident | 87.3 | Confident | 84 Ų | 84 | 54.3 Ų | 54.3 | 39% | 0.393 | 29% | 0.294 | S | S | . | . | trans | -99 | 142.5 | 175.7 | -73.8 | 169.5 | 41.5 | 0 | 0 | 110.8 | G182 P183 N184 D236 R237 | G182-Q186 WeakPolarHBondContact O-CG 3.22Å; G182-Q186 PolarHBondContact O-NE2 2.92Å; P183-Q186 PolarHBondContact O-N 3.06Å; N184-Q186 PolarHBondContact O-N 2.68Å; Q186-D236 CarbonylContact O-C 3.55Å; Q186-D236 WeakPolarHBondContact O-CA 3.02Å; Q186-R237 HydrophobicContact CB-CB 4.26Å; Q186-R237 VanDerWaalsContact CB-CD 3.45Å; Q186-R237 HydrophobicContact CB-CG 4.03Å; Q186-R237 VanDerWaalsContact O-CG 3.32Å; Q186-R237 WeakPolarHBondContact O-CG 3.24Å; Q186-R237 PolarHBondContact O-N 3.16Å | ||
| 187 | I | 88.7 | Confident | 87.2 | Confident | 22 Ų | 22 | 54 Ų | 54 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | trans | -118.9 | 135.8 | -170.3 | -63.4 | 166.1 | 0 | 0 | 0 | 111.4 | P145 A176 D178 Y189 A234 N235 | P145-I187 HydrophobicContact CB-CD1 4.01Å; P145-I187 HydrophobicContact CB-CG1 4.15Å; P145-I187 HydrophobicContact CG-CG1 4.23Å; A176-I187 VanDerWaalsContact C-CD1 3.49Å; A176-I187 HydrophobicContact CB-CD1 3.92Å; A176-I187 WeakPolarHBondContact O-CD1 3.33Å; D178-I187 HydrophobicContact CB-CD1 4.3Å; I187-Y189 HydrophobicContact CG2-CD1 4.31Å; I187-Y189 HydrophobicContact CG2-CD2 4.48Å; I187-Y189 HydrophobicContact CG2-CE1 3.98Å; I187-Y189 HydrophobicContact CG2-CE2 4.18Å; I187-A234 HydrophobicContact CG2-CB 3.84Å; I187-N235 CarbonylContact C-O 3.6Å; I187-N235 VanDerWaalsContact CA-O 3.3Å; I187-N235 WeakPolarHBondContact CA-O 3.4Å | ||
| 188 | E | 89.7 | Confident | 87.1 | Confident | 32 Ų | 32 | 53.7 Ų | 53.7 | 15% | 0.15 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 117.3 | 171.6 | -79.1 | 169.8 | 170.5 | 0 | 0 | 109.8 | M209 L210 N235 R237 R244 | E188-M209 HydrophobicContact CB-CB 4.25Å; E188-M209 HydrophobicContact CG-CB 4.31Å; E188-L210 HydrophobicContact CG-CD2 3.83Å; E188-N235 PolarHBondContact N-O 3.43Å; E188-N235 PolarHBondContact O-N 3.49Å; E188-N235 PolarHBondContact O-ND2 2.88Å; E188-R237 HydrophobicContact CB-CG 4.48Å; E188-R237 VanDerWaalsContact CD-NE 3.3Å; E188-R237 HydrophobicContact CG-CG 3.74Å; E188-R237 IonicContact OE1-CZ 2.72Å; E188-R237 VanDerWaalsContact OE1-CZ 3.3Å; E188-R237 IonicContact OE1-NE 3.78Å; E188-R237 PolarHBondContact OE1-NE 3.34Å; E188-R237 IonicContact OE1-NH2 2.71Å; E188-R237 PolarHBondContact OE1-NH2 2.95Å; E188-R244 IonicContact OE2-CZ 2.67Å; E188-R244 VanDerWaalsContact OE2-CZ 3.26Å; E188-R244 IonicContact OE2-NH1 2.65Å; E188-R244 PolarHBondContact OE2-NH1 2.95Å; E188-R244 IonicContact OE2-NH2 3.63Å; E188-R244 PolarHBondContact OE2-NH2 2.85Å |
| 189 | Y | 91.3 | Very high | 86.9 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 138.8 | 178 | -59.9 | -78.4 | 0 | 0 | 0 | 112.4 | F147 F170 G175 A176 I187 M209 G212 I232 Q233 A234 | F147-Y189 HydrophobicContact CE1-CD1 4.29Å; F147-Y189 AromaticContact CE1-CE1 3.78Å; F147-Y189 HydrophobicContact CE1-CE1 3.78Å; F147-Y189 HydrophobicContact CZ-CD1 4.24Å; F147-Y189 HydrophobicContact CZ-CE1 4.09Å; F170-Y189 HydrophobicContact CB-CE1 4.28Å; F170-Y189 HydrophobicContact CB-CE2 4.18Å; F170-Y189 HydrophobicContact CD1-CE1 4.47Å; F170-Y189 HydrophobicContact CG-CE1 4.46Å; F170-Y189 PolarHBondContact O-OH 2.88Å; G175-Y189 WeakPolarHBondContact CA-OH 3.48Å; A176-Y189 HydrophobicContact CB-CE1 4.11Å; A176-Y189 PolarHBondContact N-OH 2.98Å; I187-Y189 HydrophobicContact CG2-CD1 4.31Å; I187-Y189 HydrophobicContact CG2-CD2 4.48Å; I187-Y189 HydrophobicContact CG2-CE1 3.98Å; I187-Y189 HydrophobicContact CG2-CE2 4.18Å; Y189-M209 WeakPolarHBondContact CD2-O 3.32Å; Y189-M209 PolarHBondContact N-O 2.99Å; Y189-M209 WeakPolarHBondContact O-CA 3.43Å; Y189-M209 WeakPolarHBondContact O-CG 3.26Å; Y189-G212 VanDerWaalsContact CD2-CA 3.49Å; Y189-I232 HydrophobicContact CD1-CG2 4.39Å; Y189-Q233 CarbonylContact C-O 3.56Å; Y189-Q233 WeakPolarHBondContact CA-O 3.23Å; Y189-A234 HydrophobicContact CD1-CB 4.06Å; Y189-A234 HydrophobicContact CE1-CB 4.02Å |
| 190 | V | 90.7 | Very high | 86.9 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 33% | 0.333 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 146.8 | 179.5 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | M209 Q233 | V190-M209 HydrophobicContact CG2-CE 4.38Å; V190-Q233 PolarHBondContact N-O 3.4Å; V190-Q233 PolarHBondContact O-N 2.87Å |
| 191 | I | 90.5 | Very high | 86.7 | Confident | 24 Ų | 24 | 54 Ų | 54 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 127.8 | 169.8 | -61.5 | 179.3 | 0 | 0 | 0 | 109.1 | F204 I206 V230 I231 I232 | I191-F204 HydrophobicContact CD1-CB 4.09Å; I191-I206 HydrophobicContact CD1-CG1 4.18Å; I191-I206 HydrophobicContact CG1-CD1 3.83Å; I191-I206 HydrophobicContact CG1-CG1 3.9Å; I191-V230 HydrophobicContact CD1-CG1 4.09Å; I191-V230 HydrophobicContact CG1-CG1 4.21Å; I191-V230 HydrophobicContact CG2-CG1 3.79Å; I191-I231 WeakPolarHBondContact CA-O 3.21Å; I191-I232 HydrophobicContact CG1-CD1 4.07Å |
| 192 | Q | 89.5 | Confident | 86.9 | Confident | 79 Ų | 79 | 53.5 Ų | 53.5 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 139 | 173.4 | -170.8 | 179.4 | 11 | 0 | 0 | 109.9 | N194 I231 Q233 | Q192-N194 PolarHBondContact O-N 2.84Å; Q192-I231 HydrophobicContact CB-CB 4.17Å; Q192-I231 HydrophobicContact CB-CG2 3.9Å; Q192-I231 PolarHBondContact N-O 2.59Å; Q192-Q233 HydrophobicContact CB-CB 4.5Å |
| 193 | Y | 90.5 | Very high | 87.3 | Confident | 134 Ų | 134 | 52.4 Ų | 52.4 | 53% | 0.525 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 117.9 | 177.2 | 175.4 | -93.6 | 0 | 0 | 0 | 111.2 | P195 P198 N201 | Y193-P195 HydrophobicContact CE1-CB 4.09Å; Y193-P195 WeakPolarHBondContact O-CD 3.49Å; Y193-P198 HydrophobicContact CE2-CB 4.33Å; Y193-N201 HydrophobicContact CD2-CB 4.15Å |
| 194 | N | 88.7 | Confident | 87.7 | Confident | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.053 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 116.2 | 174 | -174.5 | -5.7 | 0 | 0 | 0 | 110.2 | Q192 E196 D197 Y229 I231 | Q192-N194 PolarHBondContact O-N 2.84Å; N194-E196 VanDerWaalsContact C-N 3.29Å; N194-E196 PolarHBondContact O-N 2.81Å; N194-E196 WeakPolarHBondContact OD1-CB 3.48Å; N194-E196 PolarHBondContact OD1-N 2.75Å; N194-D197 HydrophobicContact CB-CB 4.32Å; N194-D197 CarbonylContact O-C 3.49Å; N194-D197 PolarHBondContact O-N 2.7Å; N194-D197 PolarHBondContact OD1-N 2.69Å; N194-Y229 PolarHBondContact ND2-O 3.29Å; N194-I231 HydrophobicContact CB-CD1 3.78Å; N194-I231 HydrophobicContact CB-CG1 4.06Å |
| 195 | P | 87 | Confident | 88 | Confident | 96 Ų | 96 | 52.9 Ų | 52.9 | 62% | 0.623 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -72 | -19.8 | 176.9 | 30.6 | -35.5 | 0 | 0 | 0 | 113.9 | Y193 | Y193-P195 HydrophobicContact CE1-CB 4.09Å; Y193-P195 WeakPolarHBondContact O-CD 3.49Å |
| 196 | E | 84.7 | Confident | 88.3 | Confident | 184 Ų | 184 | 52.5 Ų | 52.5 | 86% | 0.86 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -84.7 | -25 | 175.9 | -56 | -173 | 161.9 | 0 | 0 | 111.7 | N194 | N194-E196 VanDerWaalsContact C-N 3.29Å; N194-E196 PolarHBondContact O-N 2.81Å; N194-E196 WeakPolarHBondContact OD1-CB 3.48Å; N194-E196 PolarHBondContact OD1-N 2.75Å |
| 197 | D | 84.8 | Confident | 88.2 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.011 | 27% | 0.273 | C | S | . | . | trans | -128.3 | 75.7 | 172.2 | -168.4 | -23.4 | 0 | 0 | 0 | 111.1 | N194 T199 S200 K225 Y228 Y229 | N194-D197 HydrophobicContact CB-CB 4.32Å; N194-D197 CarbonylContact O-C 3.49Å; N194-D197 PolarHBondContact O-N 2.7Å; N194-D197 PolarHBondContact OD1-N 2.69Å; D197-T199 PolarHBondContact O-N 2.7Å; D197-T199 PolarHBondContact OD1-N 2.69Å; D197-T199 PolarHBondContact OD1-OG1 2.82Å; D197-S200 WeakPolarHBondContact O-CB 3.35Å; D197-S200 PolarHBondContact O-N 2.77Å; D197-S200 PolarHBondContact O-OG 3.2Å; D197-S200 PolarHBondContact OD1-N 2.97Å; D197-K225 IonicContact OD1-NZ 3.93Å; D197-K225 PolarHBondContact OD1-NZ 3.2Å; D197-K225 IonicContact OD2-NZ 3.08Å; D197-K225 PolarHBondContact OD2-NZ 3.2Å; D197-Y228 WeakPolarHBondContact OD2-CA 3.26Å; D197-Y229 PolarHBondContact OD2-N 2.89Å | ||
| 198 | P | 85.9 | Confident | 88 | Confident | 68 Ų | 68 | 56.1 Ų | 56.1 | 44% | 0.442 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.9 | 179 | 26.5 | -35.5 | 0 | 0 | 0 | 112.9 | Y193 | Y193-P198 HydrophobicContact CE2-CB 4.33Š|
| 199 | T | 85.1 | Confident | 87.9 | Confident | 62 Ų | 62 | 59.3 Ų | 59.3 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -26.8 | 177 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | D197 N201 D202 T203 K225 | D197-T199 PolarHBondContact O-N 2.7Å; D197-T199 PolarHBondContact OD1-N 2.69Å; D197-T199 PolarHBondContact OD1-OG1 2.82Å; T199-N201 PolarHBondContact O-N 3.09Å; T199-D202 PolarHBondContact O-N 2.86Å; T199-T203 WeakPolarHBondContact O-CB 3.19Å; T199-T203 PolarHBondContact O-N 2.76Å; T199-T203 VanDerWaalsContact O-N 3.12Å; T199-T203 PolarHBondContact O-OG1 2.83Å; T199-K225 PolarHBondContact OG1-NZ 3.24Å |
| 200 | S | 86 | Confident | 87.6 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.3 | -51.6 | -179.2 | 63 | 0 | 0 | 0 | 0 | 112.9 | D197 D202 T203 F204 | D197-S200 WeakPolarHBondContact O-CB 3.35Å; D197-S200 PolarHBondContact O-N 2.77Å; D197-S200 PolarHBondContact O-OG 3.2Å; D197-S200 PolarHBondContact OD1-N 2.97Å; S200-D202 PolarHBondContact O-N 3.22Å; S200-D202 VanDerWaalsContact O-N 3.14Å; S200-T203 PolarHBondContact O-N 3.21Å; S200-F204 WeakPolarHBondContact O-CD2 3.47Å; S200-F204 PolarHBondContact O-N 2.85Å |
| 201 | N | 83.7 | Confident | 87.2 | Confident | 58 Ų | 58 | 63.2 Ų | 63.2 | 31% | 0.31 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.8 | -19.5 | -179.8 | -176.2 | 79.5 | 0 | 0 | 0 | 113.6 | Y193 T199 | Y193-N201 HydrophobicContact CD2-CB 4.15Å; T199-N201 PolarHBondContact O-N 3.09Å |
| 202 | D | 86.2 | Confident | 86.9 | Confident | 71 Ų | 71 | 62 Ų | 62 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -95.9 | -15 | 177.4 | -118.7 | 39.5 | 0 | 0 | 0 | 112.6 | T199 S200 K218 | T199-D202 PolarHBondContact O-N 2.86Å; S200-D202 PolarHBondContact O-N 3.22Å; S200-D202 VanDerWaalsContact O-N 3.14Å; D202-K218 VanDerWaalsContact O-CD 3.29Å; D202-K218 WeakPolarHBondContact O-CD 3.42Å; D202-K218 WeakPolarHBondContact O-CE 3.3Å; D202-K218 WeakPolarHBondContact O-CG 3.41Å; D202-K218 WeakPolarHBondContact OD2-CE 3.35Å; D202-K218 IonicContact OD2-NZ 3.73Å; D202-K218 PolarHBondContact OD2-NZ 3.46Å |
| 203 | T | 89.8 | Confident | 86.8 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.043 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -108 | -24.2 | -171.1 | -52.7 | 0 | 0 | 0 | 0 | 113.1 | T199 S200 L216 R217 L220 Y228 | T199-T203 WeakPolarHBondContact O-CB 3.19Å; T199-T203 PolarHBondContact O-N 2.76Å; T199-T203 VanDerWaalsContact O-N 3.12Å; T199-T203 PolarHBondContact O-OG1 2.83Å; S200-T203 PolarHBondContact O-N 3.21Å; T203-L216 HydrophobicContact CG2-CD1 4.24Å; T203-R217 WeakPolarHBondContact O-CA 3.29Å; T203-R217 WeakPolarHBondContact O-CB 3.38Å; T203-R217 PolarHBondContact O-N 3.03Å; T203-L220 HydrophobicContact CG2-CD2 3.74Å; T203-Y228 HydrophobicContact CG2-CE1 4.18Å |
| 204 | F | 92.2 | Very high | 86.8 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 153.3 | 179.9 | -50.3 | -74 | 0 | 0 | 0 | 112.1 | I166 I191 S200 V214 V215 L216 L220 Y228 V230 V253 | I166-F204 HydrophobicContact CD1-CD1 3.49Å; I166-F204 VanDerWaalsContact CD1-CD1 3.49Å; I166-F204 HydrophobicContact CD1-CE1 3.52Å; I191-F204 HydrophobicContact CD1-CB 4.09Å; S200-F204 WeakPolarHBondContact O-CD2 3.47Å; S200-F204 PolarHBondContact O-N 2.85Å; F204-V214 HydrophobicContact CB-CG1 4Å; F204-V215 CarbonylContact C-O 3.57Å; F204-V215 WeakPolarHBondContact CA-O 3.42Å; F204-L216 HydrophobicContact CD1-CD1 4.1Å; F204-L216 HydrophobicContact CE1-CD1 3.75Å; F204-L220 HydrophobicContact CZ-CD2 4.38Å; F204-Y228 AromaticContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD2 4.21Å; F204-Y228 AromaticContact CE2-CG 3.68Å; F204-Y228 HydrophobicContact CE2-CG 3.68Å; F204-Y228 HydrophobicContact CZ-CD1 4.48Å; F204-Y228 HydrophobicContact CZ-CD2 4.07Å; F204-Y228 HydrophobicContact CZ-CG 4.01Å; F204-V230 HydrophobicContact CD2-CG2 3.51Å; F204-V230 HydrophobicContact CE2-CG2 3.88Å; F204-V230 HydrophobicContact CG-CG2 4.25Å; F204-V253 HydrophobicContact CE1-CG1 4.15Å; F204-V253 HydrophobicContact CZ-CB 4.21Å; F204-V253 HydrophobicContact CZ-CG1 3.95Å; F204-V253 HydrophobicContact CZ-CG2 4.43Å |
| 205 | E | 91.3 | Very high | 86.9 | Confident | 82 Ų | 82 | 54.3 Ų | 54.3 | 38% | 0.383 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 150.6 | 179.5 | -164 | 172.2 | 130.2 | 0 | 0 | 111.1 | P207 V215 R217 | E205-P207 WeakPolarHBondContact O-CD 3.04Å; E205-V215 PolarHBondContact N-O 3.28Å; E205-V215 PolarHBondContact O-N 2.91Å; E205-R217 HydrophobicContact CB-CG 4.39Å; E205-R217 IonicContact OE2-CZ 3.04Å; E205-R217 IonicContact OE2-NE 2.93Å; E205-R217 PolarHBondContact OE2-NE 3.38Å; E205-R217 IonicContact OE2-NH2 3.13Å; E205-R217 PolarHBondContact OE2-NH2 3.39Å |
| 206 | I | 90.2 | Very high | 87.2 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.087 | 27% | 0.267 | C | S | . | . | trans | -111.5 | 94.5 | 167.1 | -63.4 | 171.8 | 0 | 0 | 0 | 107.9 | I191 L208 V214 I232 | I191-I206 HydrophobicContact CD1-CG1 4.18Å; I191-I206 HydrophobicContact CG1-CD1 3.83Å; I191-I206 HydrophobicContact CG1-CG1 3.9Å; I206-L208 VanDerWaalsContact C-N 3.26Å; I206-L208 PolarHBondContact O-N 2.78Å; I206-V214 HydrophobicContact CD1-CG2 4.25Å; I206-V214 HydrophobicContact CG1-CG2 4.03Å; I206-I232 HydrophobicContact CD1-CD1 4.28Å; I206-I232 HydrophobicContact CD1-CG2 4.43Å | ||
| 207 | P | 85.8 | Confident | 87.4 | Confident | 74 Ų | 74 | 46.7 Ų | 46.7 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -74.8 | -13.6 | -176.5 | 28.8 | -35.1 | 0 | 0 | 0 | 113.8 | E205 V215 | E205-P207 WeakPolarHBondContact O-CD 3.04Å; P207-V215 HydrophobicContact CG-CB 4.37Å; P207-V215 HydrophobicContact CG-CG2 3.75Å |
| 208 | L | 85.3 | Confident | 87.7 | Confident | 109 Ų | 109 | 51 Ų | 51 | 57% | 0.571 | 27% | 0.266 | S | S | * | . | trans | -132.7 | 87.3 | -179.1 | -78.7 | 167.1 | 0 | 0 | 0 | 110.7 | I206 L210 T211 G212 | I206-L208 VanDerWaalsContact C-N 3.26Å; I206-L208 PolarHBondContact O-N 2.78Å; L208-L210 PolarHBondContact O-N 2.9Å; L208-L210 VanDerWaalsContact O-N 3.08Å; L208-T211 HydrophobicContact CB-CG2 4.12Å; L208-T211 WeakPolarHBondContact CB-OG1 3.45Å; L208-T211 PolarHBondContact O-N 2.9Å; L208-T211 PolarHBondContact O-OG1 2.83Å; L208-G212 PolarHBondContact O-N 2.96Å | ||
| 209 | M | 86.6 | Confident | 87.8 | Confident | 98 Ų | 98 | 57.7 Ų | 57.7 | 48% | 0.483 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -35.1 | -174.8 | -63.8 | 172.4 | 175.7 | 0 | 0 | 114.3 | E188 Y189 V190 T211 | E188-M209 HydrophobicContact CB-CB 4.25Å; E188-M209 HydrophobicContact CG-CB 4.31Å; Y189-M209 WeakPolarHBondContact CD2-O 3.32Å; Y189-M209 PolarHBondContact N-O 2.99Å; Y189-M209 WeakPolarHBondContact O-CA 3.43Å; Y189-M209 WeakPolarHBondContact O-CG 3.26Å; V190-M209 HydrophobicContact CG2-CE 4.38Å; M209-T211 PolarHBondContact O-N 2.88Å |
| 210 | L | 84.4 | Confident | 88 | Confident | 104 Ų | 104 | 55.5 Ų | 55.5 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -8.6 | 178.6 | -64 | 175.1 | 0 | 0 | 0 | 114.5 | E188 L208 | E188-L210 HydrophobicContact CG-CD2 3.83Å; L208-L210 PolarHBondContact O-N 2.9Å; L208-L210 VanDerWaalsContact O-N 3.08Å |
| 211 | T | 82.7 | Confident | 88 | Confident | 45 Ų | 45 | 57.4 Ų | 57.4 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -24.9 | -178.9 | 65.8 | 0 | 0 | 0 | 0 | 113.6 | L208 M209 N213 | L208-T211 HydrophobicContact CB-CG2 4.12Å; L208-T211 WeakPolarHBondContact CB-OG1 3.45Å; L208-T211 PolarHBondContact O-N 2.9Å; L208-T211 PolarHBondContact O-OG1 2.83Å; M209-T211 PolarHBondContact O-N 2.88Å; T211-N213 PolarHBondContact O-N 2.8Å; T211-N213 PolarHBondContact OG1-N 3.02Å |
| 212 | G | 83.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | 69.1 | 2.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F170 Y189 L208 V214 | F170-G212 WeakPolarHBondContact CD2-O 3.23Å; Y189-G212 VanDerWaalsContact CD2-CA 3.49Å; L208-G212 PolarHBondContact O-N 2.96Å; G212-V214 PolarHBondContact O-N 3.03Å; G212-V214 VanDerWaalsContact O-N 3.14Å | ||
| 213 | N | 88.3 | Confident | 88 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 22% | 0.219 | 27% | 0.268 | C | S | . | . | trans | -60.4 | 116.5 | -178.2 | -73.9 | -4.7 | 0 | 0 | 0 | 111.3 | T165 F167 T211 | T165-N213 HydrophobicContact CG2-CB 3.91Å; F167-N213 WeakPolarHBondContact O-CA 3.32Å; T211-N213 PolarHBondContact O-N 2.8Å; T211-N213 PolarHBondContact OG1-N 3.02Å | ||
| 214 | V | 90 | Very high | 87.6 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 130.7 | 178.9 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | T165 I166 F167 F170 F204 I206 G212 L251 | T165-V214 CarbonylContact C-O 3.5Å; T165-V214 WeakPolarHBondContact CA-O 3.3Å; T165-V214 WeakPolarHBondContact CG2-O 3.44Å; I166-V214 HydrophobicContact CD1-CG1 4.11Å; I166-V214 HydrophobicContact CG1-CB 4.19Å; I166-V214 HydrophobicContact CG1-CG1 4.05Å; I166-V214 WeakPolarHBondContact CG1-O 3.3Å; I166-V214 PolarHBondContact N-O 3.18Å; F167-V214 HydrophobicContact CB-CB 4.15Å; F167-V214 HydrophobicContact CB-CG2 4.33Å; F167-V214 HydrophobicContact CD1-CG2 4.47Å; F167-V214 PolarHBondContact N-O 3.15Å; F167-V214 PolarHBondContact O-N 2.98Å; F170-V214 HydrophobicContact CE2-CG2 4.29Å; F204-V214 HydrophobicContact CB-CG1 4Å; I206-V214 HydrophobicContact CD1-CG2 4.25Å; I206-V214 HydrophobicContact CG1-CG2 4.03Å; G212-V214 PolarHBondContact O-N 3.03Å; G212-V214 VanDerWaalsContact O-N 3.14Å; V214-L251 HydrophobicContact CB-CD2 4.39Å; V214-L251 HydrophobicContact CG1-CD2 4.43Å; V214-L251 HydrophobicContact CG2-CD2 3.85Å |
| 215 | V | 91.2 | Very high | 87.3 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 140.9 | -172.1 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | G163 T164 T165 F204 E205 P207 | G163-V215 WeakPolarHBondContact O-CG1 3.1Å; T164-V215 WeakPolarHBondContact O-CA 3.4Å; T165-V215 HydrophobicContact CG2-CG2 4.48Å; F204-V215 CarbonylContact C-O 3.57Å; F204-V215 WeakPolarHBondContact CA-O 3.42Å; E205-V215 PolarHBondContact N-O 3.28Å; E205-V215 PolarHBondContact O-N 2.91Å; P207-V215 HydrophobicContact CG-CB 4.37Å; P207-V215 HydrophobicContact CG-CG2 3.75Å |
| 216 | L | 92.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 125.9 | 177.6 | -174.8 | 65.5 | 0 | 0 | 0 | 111.2 | T160 G163 T164 I166 T203 F204 K218 L220 | T160-L216 HydrophobicContact CG2-CD2 3.93Å; T160-L216 WeakPolarHBondContact O-CD2 3.37Å; G163-L216 PolarHBondContact N-O 2.91Å; T164-L216 PolarHBondContact O-N 2.93Å; I166-L216 HydrophobicContact CG2-CB 4.14Å; T203-L216 HydrophobicContact CG2-CD1 4.24Å; F204-L216 HydrophobicContact CD1-CD1 4.1Å; F204-L216 HydrophobicContact CE1-CD1 3.75Å; L216-K218 VanDerWaalsContact CD1-O 3.25Å; L216-K218 WeakPolarHBondContact CD1-O 3.46Å; L216-K218 WeakPolarHBondContact CG-O 3.45Å; L216-L220 HydrophobicContact CD1-CD1 4.16Å; L216-L220 HydrophobicContact CD1-CD2 3.91Å; L216-L220 HydrophobicContact CD1-CG 3.92Å; L216-L220 HydrophobicContact CD2-CD1 4.38Å; L216-L220 HydrophobicContact CD2-CG 4.41Å |
| 217 | R | 90.7 | Very high | 87.2 | Confident | 120 Ų | 120 | 69 Ų | 69 | 45% | 0.453 | 33% | 0.33 | S | S | . | . | trans | -108.5 | -25.3 | -170.2 | -160 | -169.3 | -164.4 | -145 | 0.1 | 114.1 | V162 T203 E205 | V162-R217 WeakPolarHBondContact CG1-O 3.5Å; T203-R217 WeakPolarHBondContact O-CA 3.29Å; T203-R217 WeakPolarHBondContact O-CB 3.38Å; T203-R217 PolarHBondContact O-N 3.03Å; E205-R217 HydrophobicContact CB-CG 4.39Å; E205-R217 IonicContact OE2-CZ 3.04Å; E205-R217 IonicContact OE2-NE 2.93Å; E205-R217 PolarHBondContact OE2-NE 3.38Å; E205-R217 IonicContact OE2-NH2 3.13Å; E205-R217 PolarHBondContact OE2-NH2 3.39Å | ||
| 218 | K | 89.9 | Confident | 87.4 | Confident | 92 Ų | 92 | 66.3 Ų | 66.3 | 40% | 0.4 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -129.7 | 161.6 | 173.3 | -70.2 | -178.3 | -178.3 | 179.9 | 0 | 109.3 | V162 D202 L216 | V162-K218 VanDerWaalsContact CG2-C 3.47Å; D202-K218 VanDerWaalsContact O-CD 3.29Å; D202-K218 WeakPolarHBondContact O-CD 3.42Å; D202-K218 WeakPolarHBondContact O-CE 3.3Å; D202-K218 WeakPolarHBondContact O-CG 3.41Å; D202-K218 WeakPolarHBondContact OD2-CE 3.35Å; D202-K218 IonicContact OD2-NZ 3.73Å; D202-K218 PolarHBondContact OD2-NZ 3.46Å; L216-K218 VanDerWaalsContact CD1-O 3.25Å; L216-K218 WeakPolarHBondContact CD1-O 3.46Å; L216-K218 WeakPolarHBondContact CG-O 3.45Å |
| 219 | R | 87.9 | Confident | 87.7 | Confident | 209 Ų | 209 | 66.2 Ų | 66.2 | 79% | 0.789 | 30% | 0.303 | S | S | * | . | trans | -62.8 | 150.7 | 165.4 | -71.8 | -171.1 | 177.5 | -158.2 | -2.4 | 109.5 | V162 | V162-R219 HydrophobicContact CG2-CG 3.99Š| ||
| 220 | L | 89.8 | Confident | 87.9 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | trans | -92.1 | 165.9 | 169.2 | -57.7 | 169.6 | 0 | 0 | 0 | 108.6 | V156 E158 T203 F204 L216 Y228 V255 | V156-L220 HydrophobicContact CB-CD1 4.39Å; V156-L220 HydrophobicContact CG1-CD1 3.58Å; V156-L220 HydrophobicContact CG2-CD1 3.91Å; E158-L220 HydrophobicContact CB-CB 3.87Å; T203-L220 HydrophobicContact CG2-CD2 3.74Å; F204-L220 HydrophobicContact CZ-CD2 4.38Å; L216-L220 HydrophobicContact CD1-CD1 4.16Å; L216-L220 HydrophobicContact CD1-CD2 3.91Å; L216-L220 HydrophobicContact CD1-CG 3.92Å; L216-L220 HydrophobicContact CD2-CD1 4.38Å; L216-L220 HydrophobicContact CD2-CG 4.41Å; L220-Y228 HydrophobicContact CD2-CE2 3.84Å; L220-V255 HydrophobicContact CB-CG1 4.23Å; L220-V255 HydrophobicContact CD1-CG1 4.22Å; L220-V255 HydrophobicContact CD1-CG2 4.23Å; L220-V255 HydrophobicContact CD2-CG2 4.38Å | ||
| 221 | N | 87 | Confident | 88.3 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 21% | 0.214 | 26% | 0.262 | C | S | . | . | trans | -148.1 | 125.4 | 165.4 | 171.3 | -91.2 | 0 | 0 | 0 | 106.3 | E158 E223 D224 K225 | E158-N221 VanDerWaalsContact OE2-CA 3.25Å; E158-N221 WeakPolarHBondContact OE2-CA 3.31Å; N221-E223 VanDerWaalsContact CG-OE1 3.25Å; N221-E223 VanDerWaalsContact ND2-CD 3.26Å; N221-E223 PolarHBondContact ND2-OE1 3.07Å; N221-E223 PolarHBondContact ND2-OE2 3.44Å; N221-E223 PolarHBondContact OD1-N 3.3Å; N221-E223 PolarHBondContact OD1-OE1 2.99Å; N221-E223 PolarHBondContact OD1-OE2 3.34Å; N221-D224 HydrophobicContact CB-CB 4.31Å; N221-D224 WeakPolarHBondContact OD1-CB 3.33Å; N221-D224 PolarHBondContact OD1-N 3.4Å; N221-K225 PolarHBondContact O-N 2.91Å | ||
| 222 | Y | 87 | Confident | 88.7 | Confident | 40 Ų | 40 | 56 Ų | 56 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -42.5 | -169.6 | 174.8 | -90.7 | 0 | 0 | 0 | 112.1 | E158 D224 K225 T226 V255 D257 N312 | E158-Y222 VanDerWaalsContact OE1-CB 3.23Å; E158-Y222 WeakPolarHBondContact OE1-CB 3.49Å; E158-Y222 WeakPolarHBondContact OE2-CB 3.43Å; E158-Y222 PolarHBondContact OE2-N 2.96Å; Y222-D224 VanDerWaalsContact C-N 3.35Å; Y222-D224 PolarHBondContact O-N 2.87Å; Y222-K225 CarbonylContact O-C 3.21Å; Y222-K225 PolarHBondContact O-N 2.9Å; Y222-T226 HydrophobicContact CD1-CG2 4.18Å; Y222-T226 HydrophobicContact CD2-CG2 3.84Å; Y222-T226 HydrophobicContact CE1-CG2 3.9Å; Y222-T226 HydrophobicContact CE2-CG2 3.53Å; Y222-T226 HydrophobicContact CG-CG2 4.15Å; Y222-T226 VanDerWaalsContact O-CG2 3.22Å; Y222-T226 WeakPolarHBondContact O-CG2 3.39Å; Y222-T226 PolarHBondContact O-N 3.11Å; Y222-V255 HydrophobicContact CD2-CB 4.35Å; Y222-V255 HydrophobicContact CD2-CG1 4.25Å; Y222-V255 WeakPolarHBondContact CD2-O 3.14Å; Y222-V255 WeakPolarHBondContact CE2-O 3.33Å; Y222-D257 HydrophobicContact CD1-CB 3.93Å; Y222-D257 WeakPolarHBondContact CD1-OD1 3.21Å; Y222-D257 HydrophobicContact CD2-CB 3.88Å; Y222-D257 HydrophobicContact CE1-CB 4.05Å; Y222-D257 WeakPolarHBondContact CE1-OD1 3.24Å; Y222-D257 HydrophobicContact CE2-CB 3.99Å; Y222-D257 HydrophobicContact CG-CB 3.84Å; Y222-N312 HydrophobicContact CE1-CB 3.77Å; Y222-N312 WeakPolarHBondContact CE1-ND2 3.47Å; Y222-N312 WeakPolarHBondContact OH-CB 3.38Å; Y222-N312 PolarHBondContact OH-ND2 3.21Å |
| 223 | E | 81.8 | Confident | 89 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -29.2 | -176.8 | -25.3 | 79.8 | -94.1 | 0 | 0 | 112.6 | N221 R275 | N221-E223 VanDerWaalsContact CG-OE1 3.25Å; N221-E223 VanDerWaalsContact ND2-CD 3.26Å; N221-E223 PolarHBondContact ND2-OE1 3.07Å; N221-E223 PolarHBondContact ND2-OE2 3.44Å; N221-E223 PolarHBondContact OD1-N 3.3Å; N221-E223 PolarHBondContact OD1-OE1 2.99Å; N221-E223 PolarHBondContact OD1-OE2 3.34Å; E223-R275 IonicContact OE2-CZ 2.82Å; E223-R275 IonicContact OE2-NH1 2.75Å; E223-R275 PolarHBondContact OE2-NH1 2.92Å; E223-R275 IonicContact OE2-NH2 3.26Å; E223-R275 PolarHBondContact OE2-NH2 2.9Å |
| 224 | D | 82.1 | Confident | 89.1 | Confident | 138 Ų | 138 | 56.4 Ų | 56.4 | 74% | 0.738 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -46.5 | 168.9 | -85.8 | -10.7 | 0 | 0 | 0 | 111.2 | N221 Y222 | N221-D224 HydrophobicContact CB-CB 4.31Å; N221-D224 WeakPolarHBondContact OD1-CB 3.33Å; N221-D224 PolarHBondContact OD1-N 3.4Å; Y222-D224 VanDerWaalsContact C-N 3.35Å; Y222-D224 PolarHBondContact O-N 2.87Å |
| 225 | K | 85 | Confident | 89.1 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 24% | 0.243 | 25% | 0.254 | C | S | . | . | trans | -158.8 | 107.4 | -175.9 | -172.7 | 162.2 | 171.4 | 173.2 | 0 | 115.8 | D197 T199 N221 Y222 R227 Y228 V255 | D197-K225 IonicContact OD1-NZ 3.93Å; D197-K225 PolarHBondContact OD1-NZ 3.2Å; D197-K225 IonicContact OD2-NZ 3.08Å; D197-K225 PolarHBondContact OD2-NZ 3.2Å; T199-K225 PolarHBondContact OG1-NZ 3.24Å; N221-K225 PolarHBondContact O-N 2.91Å; Y222-K225 CarbonylContact O-C 3.21Å; Y222-K225 PolarHBondContact O-N 2.9Å; K225-R227 WeakPolarHBondContact CE-O 3.08Å; K225-Y228 HydrophobicContact CB-CE2 4.42Å; K225-Y228 HydrophobicContact CD-CD1 4.12Å; K225-Y228 HydrophobicContact CD-CE1 3.76Å; K225-Y228 HydrophobicContact CD-CE2 4.23Å; K225-Y228 HydrophobicContact CG-CD2 4.45Å; K225-Y228 HydrophobicContact CG-CE1 4.44Å; K225-Y228 HydrophobicContact CG-CE2 4.02Å; K225-V255 WeakPolarHBondContact O-CG2 3.07Å | ||
| 226 | T | 88.6 | Confident | 89 | Confident | 70 Ų | 70 | 56.3 Ų | 56.3 | 43% | 0.429 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -79.6 | -14.9 | -178.4 | 59.8 | 0 | 0 | 0 | 0 | 116.7 | Y222 V255 | Y222-T226 HydrophobicContact CD1-CG2 4.18Å; Y222-T226 HydrophobicContact CD2-CG2 3.84Å; Y222-T226 HydrophobicContact CE1-CG2 3.9Å; Y222-T226 HydrophobicContact CE2-CG2 3.53Å; Y222-T226 HydrophobicContact CG-CG2 4.15Å; Y222-T226 VanDerWaalsContact O-CG2 3.22Å; Y222-T226 WeakPolarHBondContact O-CG2 3.39Å; Y222-T226 PolarHBondContact O-N 3.11Å; T226-V255 PolarHBondContact O-N 3Å |
| 227 | R | 90.6 | Very high | 88.8 | Confident | 110 Ų | 110 | 60 Ų | 60 | 42% | 0.415 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 138.8 | -176.1 | 174.2 | 175.1 | -72.5 | 158.4 | -1.3 | 112.8 | K225 Y229 T252 V253 D254 | K225-R227 WeakPolarHBondContact CE-O 3.08Å; R227-Y229 VanDerWaalsContact CD-OH 3.25Å; R227-Y229 WeakPolarHBondContact CD-OH 3.41Å; R227-Y229 HydrophobicContact CG-CE1 4.49Å; R227-Y229 HydrophobicContact CG-CE2 4.17Å; R227-T252 HydrophobicContact CG-CG2 3.95Å; R227-V253 WeakPolarHBondContact CA-O 3.4Å; R227-D254 WeakPolarHBondContact CG-OD1 3.4Å; R227-D254 IonicContact CZ-OD1 2.8Å; R227-D254 IonicContact CZ-OD2 2.72Å; R227-D254 IonicContact NE-OD1 2.69Å; R227-D254 PolarHBondContact NE-OD1 2.91Å; R227-D254 IonicContact NE-OD2 3.63Å; R227-D254 IonicContact NH2-OD1 3.91Å; R227-D254 PolarHBondContact NH2-OD1 3.02Å; R227-D254 IonicContact NH2-OD2 3.91Å; R227-D254 PolarHBondContact NH2-OD2 3.06Å |
| 228 | Y | 91.2 | Very high | 88.4 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 7% | 0.071 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 149.8 | 175 | -66 | -101.6 | 0 | 0 | 0 | 112.7 | D197 T203 F204 L220 K225 V253 V255 | D197-Y228 WeakPolarHBondContact OD2-CA 3.26Å; T203-Y228 HydrophobicContact CG2-CE1 4.18Å; F204-Y228 AromaticContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD2 4.21Å; F204-Y228 AromaticContact CE2-CG 3.68Å; F204-Y228 HydrophobicContact CE2-CG 3.68Å; F204-Y228 HydrophobicContact CZ-CD1 4.48Å; F204-Y228 HydrophobicContact CZ-CD2 4.07Å; F204-Y228 HydrophobicContact CZ-CG 4.01Å; L220-Y228 HydrophobicContact CD2-CE2 3.84Å; K225-Y228 HydrophobicContact CB-CE2 4.42Å; K225-Y228 HydrophobicContact CD-CD1 4.12Å; K225-Y228 HydrophobicContact CD-CE1 3.76Å; K225-Y228 HydrophobicContact CD-CE2 4.23Å; K225-Y228 HydrophobicContact CG-CD2 4.45Å; K225-Y228 HydrophobicContact CG-CE1 4.44Å; K225-Y228 HydrophobicContact CG-CE2 4.02Å; Y228-V253 PolarHBondContact N-O 3.22Å; Y228-V253 PolarHBondContact O-N 2.9Å; Y228-V255 HydrophobicContact CD2-CG2 4.06Å; Y228-V255 HydrophobicContact CE2-CG2 3.87Å |
| 229 | Y | 91.2 | Very high | 87.9 | Confident | 107 Ų | 107 | 58.6 Ų | 58.6 | 42% | 0.42 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 99.8 | 177.3 | -62.3 | -79.1 | 0 | 0 | 0 | 111 | N194 D197 R227 T250 T252 | N194-Y229 PolarHBondContact ND2-O 3.29Å; D197-Y229 PolarHBondContact OD2-N 2.89Å; R227-Y229 VanDerWaalsContact CD-OH 3.25Å; R227-Y229 WeakPolarHBondContact CD-OH 3.41Å; R227-Y229 HydrophobicContact CG-CE1 4.49Å; R227-Y229 HydrophobicContact CG-CE2 4.17Å; Y229-T250 HydrophobicContact CD1-CG2 4.46Å; Y229-T252 HydrophobicContact CD1-CG2 4.26Å; Y229-T252 HydrophobicContact CE1-CG2 4.02Å |
| 230 | V | 90.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.7 | -176.5 | -165.4 | 0 | 0 | 0 | 0 | 109.8 | I191 F204 I232 L251 V253 | I191-V230 HydrophobicContact CD1-CG1 4.09Å; I191-V230 HydrophobicContact CG1-CG1 4.21Å; I191-V230 HydrophobicContact CG2-CG1 3.79Å; F204-V230 HydrophobicContact CD2-CG2 3.51Å; F204-V230 HydrophobicContact CE2-CG2 3.88Å; F204-V230 HydrophobicContact CG-CG2 4.25Å; V230-I232 HydrophobicContact CB-CD1 4.4Å; V230-I232 HydrophobicContact CG1-CD1 3.73Å; V230-L251 HydrophobicContact CB-CB 4.38Å; V230-L251 PolarHBondContact N-O 2.91Å; V230-L251 PolarHBondContact O-N 3.37Å; V230-V253 HydrophobicContact CG2-CG2 4.1Å |
| 231 | I | 91.5 | Very high | 87 | Confident | 33 Ų | 33 | 57.3 Ų | 57.3 | 17% | 0.169 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.4 | 175.9 | -57.6 | 172.8 | 0 | 0 | 0 | 108.8 | I191 Q192 N194 | I191-I231 WeakPolarHBondContact CA-O 3.21Å; Q192-I231 HydrophobicContact CB-CB 4.17Å; Q192-I231 HydrophobicContact CB-CG2 3.9Å; Q192-I231 PolarHBondContact N-O 2.59Å; N194-I231 HydrophobicContact CB-CD1 3.78Å; N194-I231 HydrophobicContact CB-CG1 4.06Å |
| 232 | I | 91.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126 | -177.5 | -49.3 | -61.2 | 0 | 0 | 0 | 108.8 | F147 F170 Y189 I191 I206 V230 T248 T249 L251 | F147-I232 HydrophobicContact CZ-CG2 4.34Å; F170-I232 HydrophobicContact CE2-CB 4.44Å; F170-I232 HydrophobicContact CE2-CG1 3.98Å; F170-I232 HydrophobicContact CE2-CG2 3.97Å; F170-I232 HydrophobicContact CZ-CB 4.12Å; F170-I232 HydrophobicContact CZ-CG1 3.82Å; F170-I232 HydrophobicContact CZ-CG2 3.95Å; Y189-I232 HydrophobicContact CD1-CG2 4.39Å; I191-I232 HydrophobicContact CG1-CD1 4.07Å; I206-I232 HydrophobicContact CD1-CD1 4.28Å; I206-I232 HydrophobicContact CD1-CG2 4.43Å; V230-I232 HydrophobicContact CB-CD1 4.4Å; V230-I232 HydrophobicContact CG1-CD1 3.73Å; I232-T248 CarbonylContact O-C 3.49Å; I232-T248 VanDerWaalsContact O-CA 3.26Å; I232-T248 WeakPolarHBondContact O-CA 3.45Å; I232-T249 HydrophobicContact CB-CG2 4.01Å; I232-T249 PolarHBondContact N-O 2.89Å; I232-T249 PolarHBondContact O-N 2.9Å; I232-L251 HydrophobicContact CD1-CB 4.48Å; I232-L251 HydrophobicContact CG1-CB 4.01Å |
| 233 | Q | 91.3 | Very high | 86.6 | Confident | 48 Ų | 48 | 66 Ų | 66 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.9 | 179.5 | -176.6 | 177.6 | -30 | 0 | 0 | 110 | Y189 V190 Q192 N235 T247 T248 | Y189-Q233 CarbonylContact C-O 3.56Å; Y189-Q233 WeakPolarHBondContact CA-O 3.23Å; V190-Q233 PolarHBondContact N-O 3.4Å; V190-Q233 PolarHBondContact O-N 2.87Å; Q192-Q233 HydrophobicContact CB-CB 4.5Å; Q233-N235 PolarHBondContact NE2-OD1 2.79Å; Q233-N235 PolarHBondContact O-ND2 2.88Å; Q233-T247 CarbonylContact C-O 3.55Å; Q233-T247 WeakPolarHBondContact CA-O 3.2Å; Q233-T248 HydrophobicContact CB-CG2 4.06Å; Q233-T248 HydrophobicContact CG-CG2 4.06Å |
| 234 | A | 90.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 138.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | P145 F147 A176 I187 Y189 T246 T247 | P145-A234 HydrophobicContact CB-CB 4.12Å; F147-A234 HydrophobicContact CE1-CB 4.35Å; F147-A234 HydrophobicContact CE2-CB 3.6Å; F147-A234 HydrophobicContact CZ-CB 3.51Å; A176-A234 HydrophobicContact CB-CB 3.81Å; I187-A234 HydrophobicContact CG2-CB 3.84Å; Y189-A234 HydrophobicContact CD1-CB 4.06Å; Y189-A234 HydrophobicContact CE1-CB 4.02Å; A234-T246 CarbonylContact O-C 3.59Å; A234-T246 WeakPolarHBondContact O-CA 3.34Å; A234-T247 PolarHBondContact N-O 3.18Å; A234-T247 PolarHBondContact O-N 2.89Å |
| 235 | N | 89.7 | Confident | 87.1 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.4 | -179.6 | -45.9 | -93.1 | 0 | 0 | 0 | 108.5 | I187 E188 Q233 R245 T246 | I187-N235 CarbonylContact C-O 3.6Å; I187-N235 VanDerWaalsContact CA-O 3.3Å; I187-N235 WeakPolarHBondContact CA-O 3.4Å; E188-N235 PolarHBondContact N-O 3.43Å; E188-N235 PolarHBondContact O-N 3.49Å; E188-N235 PolarHBondContact O-ND2 2.88Å; Q233-N235 PolarHBondContact NE2-OD1 2.79Å; Q233-N235 PolarHBondContact O-ND2 2.88Å; N235-R245 WeakPolarHBondContact CA-O 3.36Å; N235-T246 HydrophobicContact CB-CG2 4.17Å; N235-T246 WeakPolarHBondContact OD1-CG2 3.35Å |
| 236 | D | 89.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -67.7 | 174.9 | 168.2 | 74.8 | 44.5 | 0 | 0 | 0 | 111.7 | N141 P145 N184 Q186 A238 R244 R245 | N141-D236 PolarHBondContact ND2-OD2 2.87Å; P145-D236 HydrophobicContact CG-CB 4.14Å; N184-D236 WeakPolarHBondContact O-CB 3.36Å; Q186-D236 CarbonylContact O-C 3.55Å; Q186-D236 WeakPolarHBondContact O-CA 3.02Å; D236-A238 WeakPolarHBondContact OD1-CB 3.44Å; D236-A238 PolarHBondContact OD1-N 2.58Å; D236-R244 WeakPolarHBondContact O-CD 3.44Å; D236-R244 PolarHBondContact O-NE 3.5Å; D236-R244 PolarHBondContact O-NH1 3.13Å; D236-R244 WeakPolarHBondContact OD1-CA 3.35Å; D236-R244 VanDerWaalsContact OD1-CG 3.27Å; D236-R244 WeakPolarHBondContact OD1-CG 3.46Å; D236-R244 WeakPolarHBondContact OD2-CA 3.15Å; D236-R245 PolarHBondContact N-O 2.84Å; D236-R245 WeakPolarHBondContact OD2-CB 3.29Å; D236-R245 PolarHBondContact OD2-N 2.92Å | ||
| 237 | R | 86.8 | Confident | 87.5 | Confident | 77 Ų | 77 | 63.4 Ų | 63.4 | 29% | 0.291 | 30% | 0.297 | S | S | . | . | trans | -114.6 | 34.2 | 175.7 | -54.6 | 176.3 | 85.5 | -143.6 | 3.1 | 113.5 | P183 Q186 E188 Q239 | P183-R237 CarbonylContact O-C 3.56Å; P183-R237 VanDerWaalsContact O-CB 3.31Å; P183-R237 WeakPolarHBondContact O-CB 3.24Å; Q186-R237 HydrophobicContact CB-CB 4.26Å; Q186-R237 VanDerWaalsContact CB-CD 3.45Å; Q186-R237 HydrophobicContact CB-CG 4.03Å; Q186-R237 VanDerWaalsContact O-CG 3.32Å; Q186-R237 WeakPolarHBondContact O-CG 3.24Å; Q186-R237 PolarHBondContact O-N 3.16Å; E188-R237 HydrophobicContact CB-CG 4.48Å; E188-R237 VanDerWaalsContact CD-NE 3.3Å; E188-R237 HydrophobicContact CG-CG 3.74Å; E188-R237 IonicContact OE1-CZ 2.72Å; E188-R237 VanDerWaalsContact OE1-CZ 3.3Å; E188-R237 IonicContact OE1-NE 3.78Å; E188-R237 PolarHBondContact OE1-NE 3.34Å; E188-R237 IonicContact OE1-NH2 2.71Å; E188-R237 PolarHBondContact OE1-NH2 2.95Å; R237-Q239 PolarHBondContact O-N 3.37Å | ||
| 238 | A | 83.5 | Confident | 87.6 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | trans | -50.5 | 139.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | N141 D236 N240 E243 R244 | N141-A238 HydrophobicContact CB-CB 4.28Å; D236-A238 WeakPolarHBondContact OD1-CB 3.44Å; D236-A238 PolarHBondContact OD1-N 2.58Å; A238-N240 PolarHBondContact O-N 2.79Å; A238-E243 HydrophobicContact CB-CB 4.47Å; A238-R244 HydrophobicContact CB-CG 3.97Å | ||
| 239 | Q | 79.9 | Confident | 87.6 | Confident | 181 Ų | 181 | 61.3 Ų | 61.3 | 85% | 0.846 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -66.1 | -27 | -174.8 | -67.3 | -170.7 | 1 | 0 | 0 | 113.1 | R237 | R237-Q239 PolarHBondContact O-N 3.37Š|
| 240 | N | 79.9 | Confident | 87.6 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 33% | 0.326 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -100.2 | 118.4 | 175.7 | -175.5 | 3.8 | 0 | 0 | 0 | 109.3 | A238 N242 E243 R244 | A238-N240 PolarHBondContact O-N 2.79Å; N240-N242 PolarHBondContact O-N 3.47Å; N240-N242 PolarHBondContact OD1-N 2.75Å; N240-E243 HydrophobicContact CB-CB 4.18Å; N240-E243 HydrophobicContact CB-CG 4.16Å; N240-E243 VanDerWaalsContact ND2-CD 3.3Å; N240-E243 PolarHBondContact ND2-OE1 3.12Å; N240-E243 PolarHBondContact O-N 2.87Å; N240-R244 PolarHBondContact O-N 3.44Å |
| 241 | L | 78.7 | Confident | 87.6 | Confident | 136 Ų | 136 | 58.6 Ų | 58.6 | 71% | 0.712 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.5 | -179.9 | -69 | 172.4 | 0 | 0 | 0 | 113.6 | ||
| 242 | N | 82.8 | Confident | 87.6 | Confident | 150 Ų | 150 | 57.5 Ų | 57.5 | 80% | 0.802 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -11.1 | 177 | -60.3 | -27.3 | 0 | 0 | 0 | 113.7 | N240 | N240-N242 PolarHBondContact O-N 3.47Å; N240-N242 PolarHBondContact OD1-N 2.75Å |
| 243 | E | 81.7 | Confident | 87.6 | Confident | 111 Ų | 111 | 57.5 Ų | 57.5 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -10 | 178.3 | -72.1 | 159 | -152.8 | 0 | 0 | 112 | N141 A238 N240 | N141-E243 PolarHBondContact ND2-O 2.88Å; A238-E243 HydrophobicContact CB-CB 4.47Å; N240-E243 HydrophobicContact CB-CB 4.18Å; N240-E243 HydrophobicContact CB-CG 4.16Å; N240-E243 VanDerWaalsContact ND2-CD 3.3Å; N240-E243 PolarHBondContact ND2-OE1 3.12Å; N240-E243 PolarHBondContact O-N 2.87Å |
| 244 | R | 85.9 | Confident | 87.6 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | trans | -63.5 | 140.1 | 175.4 | -71.8 | -158.2 | 170.7 | -156.8 | 5.1 | 112.3 | E188 D236 A238 N240 | E188-R244 IonicContact OE2-CZ 2.67Å; E188-R244 VanDerWaalsContact OE2-CZ 3.26Å; E188-R244 IonicContact OE2-NH1 2.65Å; E188-R244 PolarHBondContact OE2-NH1 2.95Å; E188-R244 IonicContact OE2-NH2 3.63Å; E188-R244 PolarHBondContact OE2-NH2 2.85Å; D236-R244 WeakPolarHBondContact O-CD 3.44Å; D236-R244 PolarHBondContact O-NE 3.5Å; D236-R244 PolarHBondContact O-NH1 3.13Å; D236-R244 WeakPolarHBondContact OD1-CA 3.35Å; D236-R244 VanDerWaalsContact OD1-CG 3.27Å; D236-R244 WeakPolarHBondContact OD1-CG 3.46Å; D236-R244 WeakPolarHBondContact OD2-CA 3.15Å; A238-R244 HydrophobicContact CB-CG 3.97Å; N240-R244 PolarHBondContact O-N 3.44Å | ||
| 245 | R | 88.8 | Confident | 87.5 | Confident | 85 Ų | 85 | 57.5 Ų | 57.5 | 32% | 0.321 | 29% | 0.29 | S | S | . | . | trans | -125 | 154.8 | -178.2 | -60 | 166.4 | 173.9 | -141.5 | 17.2 | 110.1 | N141 D142 N143 S144 N235 D236 | N141-R245 PolarHBondContact O-NE 2.82Å; N141-R245 PolarHBondContact O-NH2 2.95Å; D142-R245 VanDerWaalsContact C-CZ 3.47Å; D142-R245 VanDerWaalsContact C-NH2 3.25Å; D142-R245 PolarHBondContact O-NH1 2.82Å; D142-R245 PolarHBondContact O-NH2 3.46Å; N143-R245 WeakPolarHBondContact O-CD 3.09Å; N143-R245 VanDerWaalsContact O-CZ 3.23Å; N143-R245 PolarHBondContact O-NE 2.87Å; N143-R245 PolarHBondContact O-NH1 2.58Å; S144-R245 WeakPolarHBondContact OG-CD 3.32Å; S144-R245 PolarHBondContact OG-NH1 3.19Å; N235-R245 WeakPolarHBondContact CA-O 3.36Å; D236-R245 PolarHBondContact N-O 2.84Å; D236-R245 WeakPolarHBondContact OD2-CB 3.29Å; D236-R245 PolarHBondContact OD2-N 2.92Å | ||
| 246 | T | 90.7 | Very high | 87.4 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 45% | 0.454 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 143.3 | -160.7 | 65 | 0 | 0 | 0 | 0 | 112.4 | A234 N235 | A234-T246 CarbonylContact O-C 3.59Å; A234-T246 WeakPolarHBondContact O-CA 3.34Å; N235-T246 HydrophobicContact CB-CG2 4.17Å; N235-T246 WeakPolarHBondContact OD1-CG2 3.35Å |
| 247 | T | 91.5 | Very high | 87.3 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 27% | 0.27 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 168.2 | 169.9 | 56 | 0 | 0 | 0 | 0 | 111.4 | P145 Q233 A234 | P145-T247 WeakPolarHBondContact O-CB 3.37Å; P145-T247 WeakPolarHBondContact O-CG2 3.01Å; P145-T247 PolarHBondContact O-OG1 2.87Å; Q233-T247 CarbonylContact C-O 3.55Å; Q233-T247 WeakPolarHBondContact CA-O 3.2Å; A234-T247 PolarHBondContact N-O 3.18Å; A234-T247 PolarHBondContact O-N 2.89Å |
| 248 | T | 92.1 | Very high | 87 | Confident | 79 Ų | 79 | 55.9 Ų | 55.9 | 49% | 0.485 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 152.7 | -172.9 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | I232 Q233 | I232-T248 CarbonylContact O-C 3.49Å; I232-T248 VanDerWaalsContact O-CA 3.26Å; I232-T248 WeakPolarHBondContact O-CA 3.45Å; Q233-T248 HydrophobicContact CB-CG2 4.06Å; Q233-T248 HydrophobicContact CG-CG2 4.06Å |
| 249 | T | 91 | Very high | 87 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 165.9 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 110 | F147 E150 Y152 F170 I232 | F147-T249 HydrophobicContact CD1-CG2 3.69Å; F147-T249 HydrophobicContact CD2-CG2 3.92Å; F147-T249 HydrophobicContact CE1-CG2 3.49Å; F147-T249 VanDerWaalsContact CE1-CG2 3.49Å; F147-T249 HydrophobicContact CE2-CG2 3.75Å; F147-T249 HydrophobicContact CG-CG2 3.89Å; F147-T249 HydrophobicContact CZ-CG2 3.52Å; E150-T249 PolarHBondContact O-OG1 2.81Å; Y152-T249 HydrophobicContact CD2-CG2 3.86Å; Y152-T249 WeakPolarHBondContact CD2-OG1 3.28Å; Y152-T249 HydrophobicContact CE2-CG2 3.8Å; Y152-T249 WeakPolarHBondContact CE2-OG1 3.46Å; F170-T249 HydrophobicContact CE1-CG2 4.08Å; F170-T249 HydrophobicContact CZ-CG2 4.33Å; I232-T249 HydrophobicContact CB-CG2 4.01Å; I232-T249 PolarHBondContact N-O 2.89Å; I232-T249 PolarHBondContact O-N 2.9Å |
| 250 | T | 91 | Very high | 87.2 | Confident | 49 Ų | 49 | 51.9 Ų | 51.9 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.6 | 177.1 | -56.6 | 0 | 0 | 0 | 0 | 110.7 | S151 Y152 Y229 | S151-T250 WeakPolarHBondContact CA-O 3.25Å; Y152-T250 PolarHBondContact N-O 2.86Å; Y229-T250 HydrophobicContact CD1-CG2 4.46Å |
| 251 | L | 91.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 112.9 | 166 | 174.7 | 63.4 | 0 | 0 | 0 | 108.9 | Y152 A154 F167 V214 V230 I232 V253 | Y152-L251 CarbonylContact O-C 3.48Å; Y152-L251 WeakPolarHBondContact O-CA 3.35Å; A154-L251 HydrophobicContact CB-CD1 4.17Å; F167-L251 HydrophobicContact CB-CD2 4.13Å; F167-L251 HydrophobicContact CD1-CD1 4.28Å; F167-L251 HydrophobicContact CD1-CD2 4.09Å; F167-L251 HydrophobicContact CD2-CD1 4.05Å; F167-L251 HydrophobicContact CE1-CD1 4.36Å; F167-L251 HydrophobicContact CE2-CD1 4.13Å; F167-L251 HydrophobicContact CG-CD1 4.12Å; F167-L251 HydrophobicContact CG-CD2 4.11Å; F167-L251 HydrophobicContact CZ-CD1 4.29Å; V214-L251 HydrophobicContact CB-CD2 4.39Å; V214-L251 HydrophobicContact CG1-CD2 4.43Å; V214-L251 HydrophobicContact CG2-CD2 3.85Å; V230-L251 HydrophobicContact CB-CB 4.38Å; V230-L251 PolarHBondContact N-O 2.91Å; V230-L251 PolarHBondContact O-N 3.37Å; I232-L251 HydrophobicContact CD1-CB 4.48Å; I232-L251 HydrophobicContact CG1-CB 4.01Å; L251-V253 HydrophobicContact CD2-CG2 4.21Å; L251-V253 HydrophobicContact CG-CG2 3.97Å |
| 252 | T | 92 | Very high | 87.3 | Confident | 10 Ų | 10 | 44.1 Ų | 44.1 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 127.5 | 169.8 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | Y152 Y153 A154 R227 Y229 | Y152-T252 PolarHBondContact O-N 2.83Å; Y153-T252 CarbonylContact C-O 3.43Å; Y153-T252 WeakPolarHBondContact CA-O 3.45Å; Y153-T252 HydrophobicContact CD1-CG2 4.26Å; Y153-T252 HydrophobicContact CE1-CG2 4.29Å; A154-T252 PolarHBondContact N-O 2.83Å; R227-T252 HydrophobicContact CG-CG2 3.95Å; Y229-T252 HydrophobicContact CD1-CG2 4.26Å; Y229-T252 HydrophobicContact CE1-CG2 4.02Å |
| 253 | V | 91.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 112.1 | 179 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | A154 V156 I166 F204 R227 Y228 V230 L251 | A154-V253 WeakPolarHBondContact O-CA 3.39Å; V156-V253 HydrophobicContact CG1-CG1 3.53Å; I166-V253 HydrophobicContact CD1-CG1 4.04Å; I166-V253 HydrophobicContact CD1-CG2 4.14Å; F204-V253 HydrophobicContact CE1-CG1 4.15Å; F204-V253 HydrophobicContact CZ-CB 4.21Å; F204-V253 HydrophobicContact CZ-CG1 3.95Å; F204-V253 HydrophobicContact CZ-CG2 4.43Å; R227-V253 WeakPolarHBondContact CA-O 3.4Å; Y228-V253 PolarHBondContact N-O 3.22Å; Y228-V253 PolarHBondContact O-N 2.9Å; V230-V253 HydrophobicContact CG2-CG2 4.1Å; L251-V253 HydrophobicContact CD2-CG2 4.21Å; L251-V253 HydrophobicContact CG-CG2 3.97Å |
| 254 | D | 90.5 | Very high | 87.7 | Confident | 42 Ų | 42 | 33.7 Ų | 33.7 | 23% | 0.225 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.1 | 178 | -76 | 12 | 0 | 0 | 0 | 110 | A154 T155 V156 R227 | A154-D254 PolarHBondContact O-N 3.34Å; T155-D254 WeakPolarHBondContact CA-O 3.41Å; T155-D254 HydrophobicContact CG2-CB 4.08Å; V156-D254 PolarHBondContact N-O 3.4Å; R227-D254 WeakPolarHBondContact CG-OD1 3.4Å; R227-D254 IonicContact CZ-OD1 2.8Å; R227-D254 IonicContact CZ-OD2 2.72Å; R227-D254 IonicContact NE-OD1 2.69Å; R227-D254 PolarHBondContact NE-OD1 2.91Å; R227-D254 IonicContact NE-OD2 3.63Å; R227-D254 IonicContact NH2-OD1 3.91Å; R227-D254 PolarHBondContact NH2-OD1 3.02Å; R227-D254 IonicContact NH2-OD2 3.91Å; R227-D254 PolarHBondContact NH2-OD2 3.06Å |
| 255 | V | 89.4 | Confident | 87.8 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 4% | 0.036 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.5 | 177.5 | -172.4 | 0 | 0 | 0 | 0 | 109 | V156 E158 L220 Y222 K225 T226 Y228 | V156-V255 CarbonylContact O-C 3.47Å; V156-V255 WeakPolarHBondContact O-CA 3.44Å; E158-V255 HydrophobicContact CB-CG1 3.92Å; L220-V255 HydrophobicContact CB-CG1 4.23Å; L220-V255 HydrophobicContact CD1-CG1 4.22Å; L220-V255 HydrophobicContact CD1-CG2 4.23Å; L220-V255 HydrophobicContact CD2-CG2 4.38Å; Y222-V255 HydrophobicContact CD2-CB 4.35Å; Y222-V255 HydrophobicContact CD2-CG1 4.25Å; Y222-V255 WeakPolarHBondContact CD2-O 3.14Å; Y222-V255 WeakPolarHBondContact CE2-O 3.33Å; K225-V255 WeakPolarHBondContact O-CG2 3.07Å; T226-V255 PolarHBondContact O-N 3Å; Y228-V255 HydrophobicContact CD2-CG2 4.06Å; Y228-V255 HydrophobicContact CE2-CG2 3.87Å |
| 256 | L | 86.2 | Confident | 87.5 | Confident | 52 Ų | 52 | 28.8 Ų | 28.8 | 27% | 0.272 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126.2 | 171.1 | -56.4 | 177.2 | 0 | 0 | 0 | 109.4 | V156 N157 E158 | V156-L256 PolarHBondContact O-N 3Å; N157-L256 WeakPolarHBondContact CA-O 3.35Å; N157-L256 HydrophobicContact CB-CB 4.35Å; N157-L256 PolarHBondContact ND2-O 2.95Å; E158-L256 PolarHBondContact N-O 3.13Å |
| 257 | D | 87.3 | Confident | 87.1 | Confident | 7 Ų | 7 | 28.5 Ų | 28.5 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -49.9 | 136.7 | 171.4 | -162.5 | 66.1 | 0 | 0 | 0 | 110.4 | N157 E158 Y222 D310 N312 I313 | N157-D257 PolarHBondContact ND2-O 2.76Å; N157-D257 VanDerWaalsContact ND2-O 3.15Å; E158-D257 VanDerWaalsContact OE1-CA 3.28Å; E158-D257 WeakPolarHBondContact OE1-CA 3.26Å; Y222-D257 HydrophobicContact CD1-CB 3.93Å; Y222-D257 WeakPolarHBondContact CD1-OD1 3.21Å; Y222-D257 HydrophobicContact CD2-CB 3.88Å; Y222-D257 HydrophobicContact CE1-CB 4.05Å; Y222-D257 WeakPolarHBondContact CE1-OD1 3.24Å; Y222-D257 HydrophobicContact CE2-CB 3.99Å; Y222-D257 HydrophobicContact CG-CB 3.84Å; D257-D310 VanDerWaalsContact OD2-C 3.31Å; D257-N312 HydrophobicContact CB-CB 3.86Å; D257-N312 WeakPolarHBondContact OD2-CA 3.09Å; D257-N312 WeakPolarHBondContact OD2-CB 3.48Å; D257-N312 PolarHBondContact OD2-N 3.25Å; D257-I313 HydrophobicContact CB-CG1 4.42Å; D257-I313 PolarHBondContact OD2-N 3.49Å |
| 258 | G | 81 | Confident | 86.5 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | -130.7 | 170 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | E158 D260 | E158-G258 PolarHBondContact OE1-N 2.95Å; G258-D260 PolarHBondContact O-N 2.8Å | ||
| 259 | D | 84.2 | Confident | 85.8 | Confident | 36 Ų | 36 | 28.5 Ų | 28.5 | 19% | 0.193 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -77 | 103 | 176.5 | -177.4 | 79.1 | 0 | 0 | 0 | 110.3 | D310 I313 Q369 N371 H373 | D259-D310 WeakPolarHBondContact CA-OD2 3.34Å; D259-I313 HydrophobicContact CB-CD1 4.3Å; D259-Q369 PolarHBondContact OD1-NE2 3.31Å; D259-N371 PolarHBondContact OD1-ND2 3.19Å; D259-N371 VanDerWaalsContact OD1-ND2 3.11Å; D259-N371 PolarHBondContact OD2-ND2 2.75Å; D259-H373 IonicContact OD2-CD2 2.63Å; D259-H373 PolarHBondContact OD2-CD2 2.85Å; D259-H373 IonicContact OD2-CG 3.16Å |
| 260 | D | 82.3 | Confident | 84.9 | Confident | 64 Ų | 64 | 33.4 Ų | 33.4 | 34% | 0.342 | 19% | 0.19 | S | C | . | . | trans | -140.6 | -26.7 | -172 | 168.6 | -84.5 | 0 | 0 | 0 | 112 | L159 G258 D310 H373 | L159-D260 HydrophobicContact CD2-CB 4.31Å; G258-D260 PolarHBondContact O-N 2.8Å; D260-D310 PolarHBondContact N-OD2 3.39Å; D260-H373 PolarHBondContact O-CE1 2.83Å; D260-H373 PolarHBondContact O-NE2 3.26Å | ||
| 261 | L | 82 | Confident | 84.2 | Confident | 29 Ų | 29 | 33.9 Ų | 33.9 | 15% | 0.152 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -108.1 | 158 | 178.6 | -53.2 | 179.5 | 0 | 0 | 0 | 112.1 | Q309 D310 Q369 H373 | L261-Q309 HydrophobicContact CB-CB 3.69Å; L261-Q309 HydrophobicContact CB-CG 4.5Å; L261-Q309 HydrophobicContact CD1-CB 3.76Å; L261-Q309 HydrophobicContact CG-CB 4.38Å; L261-D310 VanDerWaalsContact CB-OD1 3.28Å; L261-D310 WeakPolarHBondContact CB-OD1 3.4Å; L261-D310 VanDerWaalsContact CD1-OD1 3.32Å; L261-D310 WeakPolarHBondContact CD1-OD1 3.3Å; L261-D310 VanDerWaalsContact CG-OD1 3.27Å; L261-D310 WeakPolarHBondContact CG-OD1 3.36Å; L261-D310 PolarHBondContact N-OD2 2.87Å; L261-Q369 PolarHBondContact O-NE2 2.75Å; L261-Q369 PolarHBondContact O-OE1 3.13Å; L261-H373 PolarHBondContact O-CE1 2.99Å; L261-H373 PolarHBondContact O-ND1 3.45Å |
| 262 | G | 79.2 | Confident | 83.3 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 6% | 0.062 | 23% | 0.227 | C | C | . | . | trans | -93.7 | 166.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q309 L375 | G262-Q309 PolarHBondContact O-NE2 2.88Å; G262-L375 WeakPolarHBondContact CA-O 3.37Å | ||
| 263 | P | 88.1 | Confident | 82.1 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | trans | -62.4 | 147.7 | 173.2 | 27.6 | -37.2 | 0 | 0 | 0 | 112.3 | A306 I307 I322 A367 L375 A377 | P263-A306 HydrophobicContact CB-CB 4.37Å; P263-I307 CarbonylContact C-O 3.55Å; P263-I307 WeakPolarHBondContact CA-O 3.44Å; P263-I322 HydrophobicContact CB-CD1 4Å; P263-I322 HydrophobicContact CB-CG1 4.4Å; P263-A367 HydrophobicContact CG-CB 4.32Å; P263-L375 WeakPolarHBondContact CD-O 3.43Å; P263-A377 VanDerWaalsContact O-CB 3.27Å; P263-A377 WeakPolarHBondContact O-CB 3.34Å | ||
| 264 | M | 84.9 | Confident | 80.9 | Confident | 35 Ų | 35 | 50.1 Ų | 50.1 | 17% | 0.172 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 140.3 | 169.1 | 96 | -179.2 | 64.9 | 0 | 0 | 111 | L266 C268 C277 A306 I307 Q309 | M264-L266 HydrophobicContact CG-CD2 4.38Å; M264-L266 HydrophobicContact SD-CD2 4.42Å; M264-C268 HydrophobicContact CG-CB 4.3Å; M264-C268 HydrophobicContact SD-CB 3.57Å; M264-C268 VanDerWaalsContact SD-CB 3.57Å; M264-C268 VanDerWaalsContact SD-SG 3.65Å; M264-C277 VanDerWaalsContact SD-SG 3.64Å; M264-A306 CarbonylContact O-C 3.58Å; M264-A306 WeakPolarHBondContact O-CA 3.47Å; M264-A306 WeakPolarHBondContact O-CB 3.31Å; M264-I307 HydrophobicContact CE-CD1 4.12Å; M264-I307 HydrophobicContact CG-CD1 4.03Å; M264-I307 HydrophobicContact CG-CG1 3.7Å; M264-I307 PolarHBondContact N-O 3.45Å; M264-I307 PolarHBondContact O-N 3.03Å; M264-I307 HydrophobicContact SD-CD1 4.03Å; M264-I307 HydrophobicContact SD-CG1 4.38Å; M264-Q309 HydrophobicContact CE-CG 3.48Å; M264-Q309 VanDerWaalsContact CE-CG 3.48Å |
| 265 | F | 88.2 | Confident | 79.7 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 145 | 171 | -82.2 | -71.6 | 0 | 0 | 0 | 112.2 | Y282 I304 Q305 A306 Y324 I365 A367 A377 A379 | F265-Y282 HydrophobicContact CD1-CE2 4.08Å; F265-Y282 WeakPolarHBondContact CD1-OH 3.24Å; F265-Y282 HydrophobicContact CE1-CE2 4.48Å; F265-I304 HydrophobicContact CD1-CG2 4.37Å; F265-I304 HydrophobicContact CE1-CG2 3.85Å; F265-Q305 CarbonylContact C-O 3.6Å; F265-Q305 WeakPolarHBondContact CA-O 3.25Å; F265-A306 HydrophobicContact CD1-CB 4.08Å; F265-A306 HydrophobicContact CE1-CB 4.32Å; F265-Y324 HydrophobicContact CE1-CD1 4.24Å; F265-Y324 HydrophobicContact CE1-CE1 4.13Å; F265-I365 HydrophobicContact CE1-CD1 3.86Å; F265-I365 HydrophobicContact CE1-CG1 4.41Å; F265-I365 HydrophobicContact CZ-CD1 3.96Å; F265-I365 HydrophobicContact CZ-CG1 4Å; F265-A367 HydrophobicContact CE1-CB 4.17Å; F265-A367 HydrophobicContact CE2-CB 3.92Å; F265-A367 HydrophobicContact CZ-CB 3.62Å; F265-A377 HydrophobicContact CD2-CB 3.94Å; F265-A377 HydrophobicContact CE2-CB 4.09Å; F265-A379 HydrophobicContact CD2-CB 3.84Å; F265-A379 HydrophobicContact CE2-CB 3.96Å; F265-A379 HydrophobicContact CG-CB 4.17Å; F265-A379 HydrophobicContact CZ-CB 4.39Å |
| 266 | L | 82.4 | Confident | 78.7 | Confident | 43 Ų | 43 | 58.4 Ų | 58.4 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 149.7 | 177.7 | -68.1 | -175.3 | 0 | 0 | 0 | 112.4 | M264 C268 Y282 Q305 I307 | M264-L266 HydrophobicContact CG-CD2 4.38Å; M264-L266 HydrophobicContact SD-CD2 4.42Å; L266-C268 HydrophobicContact CD2-CB 4.13Å; L266-Y282 PolarHBondContact O-OH 2.77Å; L266-Q305 HydrophobicContact CB-CB 4.32Å; L266-Q305 PolarHBondContact N-O 2.87Å; L266-I307 HydrophobicContact CD1-CB 4.47Å; L266-I307 HydrophobicContact CD1-CD1 4.11Å; L266-I307 HydrophobicContact CD1-CG1 4.13Å; L266-I307 HydrophobicContact CD1-CG2 3.58Å; L266-I307 HydrophobicContact CD2-CD1 3.87Å; L266-I307 HydrophobicContact CD2-CG1 4.17Å; L266-I307 HydrophobicContact CG-CD1 4.19Å; L266-I307 HydrophobicContact CG-CG1 4.05Å; L266-I307 HydrophobicContact CG-CG2 4.29Å |
| 267 | P | 83.6 | Confident | 78 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | S | Bend | cis | -69.3 | 125.4 | -8.5 | 27.4 | -36.2 | 0 | 0 | 0 | 113.2 | L280 P302 | P267-L280 HydrophobicContact CG-CD2 4.3Å; P267-P302 HydrophobicContact CG-CB 4.41Å; P267-P302 HydrophobicContact CG-CG 4.16Å |
| 268 | C | 77.4 | Confident | 77.3 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 24% | 0.236 | 35% | 0.352 | C | S | . | . | trans | -79.2 | 132.1 | 176.1 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | M264 L266 C277 | M264-C268 HydrophobicContact CG-CB 4.3Å; M264-C268 HydrophobicContact SD-CB 3.57Å; M264-C268 VanDerWaalsContact SD-CB 3.57Å; M264-C268 VanDerWaalsContact SD-SG 3.65Å; L266-C268 HydrophobicContact CD2-CB 4.13Å; C268-C277 HydrophobicContact CB-CB 4Å; C268-C277 WeakPolarHBondContact CB-SG 3.26Å; C268-C277 VanDerWaalsContact SG-CA 3.59Å; C268-C277 WeakPolarHBondContact SG-CB 3.4Å; C268-C277 CovalentContact SG-SG 2.04Å; C268-C277 PolarHBondContact SG-SG 3.47Å | ||
| 269 | V | 78 | Confident | 76.5 | Confident | 87 Ų | 87 | 71.2 Ų | 71.2 | 53% | 0.527 | 39% | 0.387 | S | S | . | . | trans | -111.1 | 100.5 | 166.4 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | V271 R278 | V269-V271 PolarHBondContact O-N 3.15Å; V269-R278 HydrophobicContact CB-CB 4.29Å; V269-R278 WeakPolarHBondContact O-CB 3.1Å; V269-R278 PolarHBondContact O-N 2.78Å | ||
| 270 | L | 73 | Confident | 75.8 | Confident | 110 Ų | 110 | 71.3 Ų | 71.3 | 58% | 0.576 | 39% | 0.388 | S | S | * | . | B | Isolated β-bridge | trans | -57.3 | 133.8 | -177.3 | -71.8 | 169.8 | 0 | 0 | 0 | 112.3 | R275 D276 | L270-R275 WeakPolarHBondContact CD2-O 3.31Å; L270-D276 WeakPolarHBondContact CA-O 3.28Å |
| 271 | V | 74.7 | Confident | 75.9 | Confident | 59 Ų | 59 | 72.4 Ų | 72.4 | 36% | 0.358 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 126.6 | 173.8 | 173.6 | 0 | 0 | 0 | 0 | 109.1 | V269 N273 T274 D276 R278 | V269-V271 PolarHBondContact O-N 3.15Å; V271-N273 PolarHBondContact O-N 2.94Å; V271-T274 WeakPolarHBondContact CB-OG1 3.37Å; V271-T274 PolarHBondContact O-N 2.88Å; V271-T274 VanDerWaalsContact O-N 3.08Å; V271-T274 PolarHBondContact O-OG1 2.88Å; V271-D276 PolarHBondContact N-O 3.01Å; V271-R278 HydrophobicContact CG2-CB 4.26Å |
| 272 | P | 73.2 | Confident | 76.3 | Confident | 112 Ų | 112 | 71 Ų | 71 | 73% | 0.727 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 135.1 | -173.8 | -28.9 | 35.5 | 0 | 0 | 0 | 114.1 | T274 | P272-T274 VanDerWaalsContact C-N 3.27Å; P272-T274 PolarHBondContact O-N 2.76Å |
| 273 | N | 66.4 | Low | 76.8 | Confident | 176 Ų | 176 | 76 Ų | 76 | 94% | 0.941 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 19.7 | -175.6 | -48.8 | -33.3 | 0 | 0 | 0 | 115.4 | V271 | V271-N273 PolarHBondContact O-N 2.94Š|
| 274 | T | 67.4 | Low | 76.9 | Confident | 63 Ų | 63 | 76.1 Ų | 76.1 | 39% | 0.387 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -133.8 | 167.4 | 170.6 | 68.8 | 0 | 0 | 0 | 0 | 109.9 | V271 P272 D276 | V271-T274 WeakPolarHBondContact CB-OG1 3.37Å; V271-T274 PolarHBondContact O-N 2.88Å; V271-T274 VanDerWaalsContact O-N 3.08Å; V271-T274 PolarHBondContact O-OG1 2.88Å; P272-T274 VanDerWaalsContact C-N 3.27Å; P272-T274 PolarHBondContact O-N 2.76Å; T274-D276 VanDerWaalsContact C-N 3.29Å; T274-D276 PolarHBondContact OG1-N 2.83Å |
| 275 | R | 65.8 | Low | 77 | Confident | 114 Ų | 114 | 77 Ų | 77 | 43% | 0.43 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -88.1 | 0.5 | 164.4 | -65.8 | -173.9 | -176.2 | 168.7 | 1.7 | 112.2 | E223 L270 | E223-R275 IonicContact OE2-CZ 2.82Å; E223-R275 IonicContact OE2-NH1 2.75Å; E223-R275 PolarHBondContact OE2-NH1 2.92Å; E223-R275 IonicContact OE2-NH2 3.26Å; E223-R275 PolarHBondContact OE2-NH2 2.9Å; L270-R275 WeakPolarHBondContact CD2-O 3.31Å |
| 276 | D | 67.1 | Low | 77 | Confident | 107 Ų | 107 | 76.4 Ų | 76.4 | 57% | 0.572 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -78.6 | 142.9 | -170.1 | -53.3 | -20.4 | 0 | 0 | 0 | 112.3 | L270 V271 T274 | L270-D276 WeakPolarHBondContact CA-O 3.28Å; V271-D276 PolarHBondContact N-O 3.01Å; T274-D276 VanDerWaalsContact C-N 3.29Å; T274-D276 PolarHBondContact OG1-N 2.83Å |
| 277 | C | 72.1 | Confident | 77 | Confident | 38 Ų | 38 | 75.4 Ų | 75.4 | 26% | 0.257 | 42% | 0.419 | S | S | . | . | B | Isolated β-bridge | trans | -85.1 | 140.9 | 171.6 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | M264 C268 | M264-C277 VanDerWaalsContact SD-SG 3.64Å; C268-C277 HydrophobicContact CB-CB 4Å; C268-C277 WeakPolarHBondContact CB-SG 3.26Å; C268-C277 VanDerWaalsContact SG-CA 3.59Å; C268-C277 WeakPolarHBondContact SG-CB 3.4Å; C268-C277 CovalentContact SG-SG 2.04Å; C268-C277 PolarHBondContact SG-SG 3.47Å |
| 278 | R | 71.8 | Confident | 76.8 | Confident | 175 Ų | 175 | 72.6 Ų | 72.6 | 66% | 0.66 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 135.9 | 166.7 | -176.4 | 178.4 | 178.7 | 175.6 | -0.8 | 109.6 | V269 V271 L280 | V269-R278 HydrophobicContact CB-CB 4.29Å; V269-R278 WeakPolarHBondContact O-CB 3.1Å; V269-R278 PolarHBondContact O-N 2.78Å; V271-R278 HydrophobicContact CG2-CB 4.26Å; R278-L280 PolarHBondContact O-N 3.48Å |
| 279 | P | 64.5 | Low | 77 | Confident | 118 Ų | 118 | 74.9 Ų | 74.9 | 77% | 0.766 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 130.9 | 178.1 | -28.5 | 35.3 | 0 | 0 | 0 | 112.4 | ||
| 280 | L | 70.7 | Confident | 77 | Confident | 38 Ų | 38 | 74.3 Ų | 74.3 | 20% | 0.199 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -102.7 | 147 | -177.7 | -152.3 | 76.8 | 0 | 0 | 0 | 111 | P267 R278 Y282 P302 S380 | P267-L280 HydrophobicContact CG-CD2 4.3Å; R278-L280 PolarHBondContact O-N 3.48Å; L280-Y282 HydrophobicContact CD2-CD1 4.28Å; L280-Y282 HydrophobicContact CD2-CE1 3.7Å; L280-Y282 HydrophobicContact CD2-CE2 4.23Å; L280-P302 HydrophobicContact CD2-CG 4.05Å; L280-S380 PolarHBondContact O-N 3.03Å |
| 281 | T | 83.5 | Confident | 77.4 | Confident | 86 Ų | 86 | 71.5 Ų | 71.5 | 53% | 0.528 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 116.4 | 171.1 | -51.1 | 0 | 0 | 0 | 0 | 108.5 | S380 | T281-S380 WeakPolarHBondContact CA-O 3.47Å |
| 282 | Y | 89.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 148.1 | 172.3 | -65.9 | -72.1 | 0 | 0 | 0 | 110.1 | F265 L266 L280 V300 P302 I304 I365 A379 S380 L381 H382 | F265-Y282 HydrophobicContact CD1-CE2 4.08Å; F265-Y282 WeakPolarHBondContact CD1-OH 3.24Å; F265-Y282 HydrophobicContact CE1-CE2 4.48Å; L266-Y282 PolarHBondContact O-OH 2.77Å; L280-Y282 HydrophobicContact CD2-CD1 4.28Å; L280-Y282 HydrophobicContact CD2-CE1 3.7Å; L280-Y282 HydrophobicContact CD2-CE2 4.23Å; Y282-V300 HydrophobicContact CD1-CG1 4.27Å; Y282-V300 HydrophobicContact CG-CG1 4.29Å; Y282-P302 HydrophobicContact CD1-CG 3.9Å; Y282-P302 WeakPolarHBondContact CD1-O 2.99Å; Y282-P302 HydrophobicContact CE1-CG 3.88Å; Y282-I304 HydrophobicContact CD1-CG1 4.04Å; Y282-I304 HydrophobicContact CD2-CG1 4.21Å; Y282-I304 HydrophobicContact CE1-CB 4.49Å; Y282-I304 HydrophobicContact CE1-CG1 4.19Å; Y282-I304 HydrophobicContact CE2-CG1 4.36Å; Y282-I304 HydrophobicContact CE2-CG2 4.38Å; Y282-I304 HydrophobicContact CG-CG1 4.04Å; Y282-I365 HydrophobicContact CD2-CD1 3.81Å; Y282-I365 HydrophobicContact CE2-CD1 3.83Å; Y282-A379 HydrophobicContact CD2-CB 3.99Å; Y282-A379 HydrophobicContact CE2-CB 3.66Å; Y282-S380 PolarHBondContact N-O 3.02Å; Y282-L381 WeakPolarHBondContact O-CA 3.45Å; Y282-H382 PolarHBondContact O-N 3.34Å |
| 283 | Q | 90.7 | Very high | 77.9 | Confident | 111 Ų | 111 | 73.4 Ų | 73.4 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 135.7 | -177.7 | -63.1 | -171.9 | -49.2 | 0 | 0 | 111.6 | T301 H382 | Q283-T301 PolarHBondContact N-O 2.99Å; Q283-T301 PolarHBondContact O-N 3.36Å; Q283-T301 PolarHBondContact O-OG1 2.83Å; Q283-H382 CarbonylContact C-O 3.52Å; Q283-H382 WeakPolarHBondContact CA-O 3.35Å; Q283-H382 HydrophobicContact CG-CB 4.49Å |
| 284 | A | 89.9 | Confident | 78.3 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 7% | 0.066 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 154.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | I298 V300 H382 I383 E384 | A284-I298 HydrophobicContact CB-CG2 3.97Å; A284-V300 HydrophobicContact CB-CG2 4.36Å; A284-H382 PolarHBondContact N-O 3.42Å; A284-I383 WeakPolarHBondContact O-CA 3.37Å; A284-E384 PolarHBondContact O-N 2.71Å |
| 285 | A | 88.2 | Confident | 78.9 | Confident | 53 Ų | 53 | 68.6 Ų | 68.6 | 44% | 0.438 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | E384 L386 | A285-E384 CarbonylContact C-O 3.57Å; A285-E384 WeakPolarHBondContact CA-O 3.19Å; A285-L386 HydrophobicContact CB-CD1 3.94Å; A285-L386 HydrophobicContact CB-CD2 4.37Å; A285-L386 HydrophobicContact CB-CG 4.14Å |
| 286 | I | 86.5 | Confident | 79.8 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 121.6 | -170.1 | -59.1 | -176.8 | 0 | 0 | 0 | 108.6 | L295 I298 F338 I383 E384 I385 L386 | I286-L295 HydrophobicContact CG2-CD1 3.58Å; I286-L295 HydrophobicContact CG2-CD2 4.23Å; I286-I298 HydrophobicContact CD1-CD1 3.7Å; I286-I298 HydrophobicContact CD1-CG1 4.08Å; I286-I298 HydrophobicContact CD1-CG2 3.89Å; I286-I298 HydrophobicContact CG1-CG2 4.04Å; I286-F338 HydrophobicContact CD1-CE1 3.52Å; I286-F338 HydrophobicContact CD1-CZ 3.93Å; I286-I383 HydrophobicContact CD1-CG2 3.46Å; I286-I383 VanDerWaalsContact CD1-CG2 3.46Å; I286-I383 HydrophobicContact CG1-CG2 3.79Å; I286-E384 PolarHBondContact N-O 3.28Å; I286-I385 HydrophobicContact CB-CD1 4.04Å; I286-I385 CarbonylContact O-C 3.56Å; I286-I385 VanDerWaalsContact O-CA 3.3Å; I286-I385 WeakPolarHBondContact O-CA 3.4Å; I286-L386 PolarHBondContact O-N 3.29Å |
| 287 | P | 82.9 | Confident | 80.5 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 143.8 | 173 | -13.2 | 28.3 | 0 | 0 | 0 | 112 | E388 | P287-E388 VanDerWaalsContact CB-CD 3.47Å; P287-E388 HydrophobicContact CB-CG 3.41Å; P287-E388 VanDerWaalsContact CB-CG 3.41Å; P287-E388 WeakPolarHBondContact CB-OE1 3.03Å; P287-E388 WeakPolarHBondContact CG-OE1 3.37Å |
| 288 | E | 80.8 | Confident | 81.2 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 163.4 | -176.4 | 78.5 | 156.9 | 155.9 | 0 | 0 | 114.3 | R290 V353 N354 R355 I385 L386 N390 | E288-R290 PolarHBondContact O-N 3.49Å; E288-V353 CarbonylContact C-O 3.6Å; E288-V353 VanDerWaalsContact CA-O 3.3Å; E288-V353 WeakPolarHBondContact CA-O 3.38Å; E288-V353 WeakPolarHBondContact CB-O 3.41Å; E288-N354 WeakPolarHBondContact OE2-CA 3.44Å; E288-N354 PolarHBondContact OE2-ND2 2.88Å; E288-R355 HydrophobicContact CB-CB 4.02Å; E288-R355 HydrophobicContact CG-CB 4.31Å; E288-R355 VanDerWaalsContact OE2-CB 3.32Å; E288-R355 WeakPolarHBondContact OE2-CB 3.41Å; E288-R355 PolarHBondContact OE2-N 3.36Å; E288-I385 HydrophobicContact CB-CG2 3.94Å; E288-L386 PolarHBondContact N-O 3Å; E288-N390 PolarHBondContact OE1-ND2 2.86Å; E288-N390 VanDerWaalsContact OE1-ND2 3.16Å |
| 289 | L | 80.2 | Confident | 81.8 | Confident | 82 Ų | 82 | 61.5 Ų | 61.5 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | -9 | 177.3 | -64.4 | 172.1 | 0 | 0 | 0 | 116.5 | V353 N354 | L289-V353 PolarHBondContact N-O 3.28Å; L289-N354 HydrophobicContact CD2-CB 3.82Å; L289-N354 HydrophobicContact CG-CB 4.5Å |
| 290 | R | 79.1 | Confident | 82.9 | Confident | 75 Ų | 75 | 56.5 Ų | 56.5 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | trans | -72.8 | 144.3 | -171.8 | -166.3 | 163.8 | -165.9 | 162.2 | -3.5 | 112.6 | E288 E294 L295 E388 | E288-R290 PolarHBondContact O-N 3.49Å; R290-E294 HydrophobicContact CG-CB 4.26Å; R290-E294 WeakPolarHBondContact CG-OE2 3.41Å; R290-E294 IonicContact CZ-OE2 2.62Å; R290-E294 IonicContact NE-OE2 3.68Å; R290-E294 PolarHBondContact NE-OE2 2.81Å; R290-E294 IonicContact NH2-OE2 2.68Å; R290-L295 HydrophobicContact CB-CD1 3.66Å; R290-L295 HydrophobicContact CB-CG 4.5Å; R290-L295 HydrophobicContact CG-CD1 3.79Å; R290-L295 HydrophobicContact CG-CG 4.1Å; R290-E388 IonicContact CZ-OE1 3.53Å; R290-E388 IonicContact NE-OE1 2.64Å; R290-E388 IonicContact NH1-OE1 3.16Å; R290-E388 PolarHBondContact NH1-OE1 2.99Å | ||
| 291 | T | 81.5 | Confident | 83.6 | Confident | 51 Ų | 51 | 58.1 Ų | 58.1 | 31% | 0.313 | 32% | 0.315 | S | S | . | . | trans | -79.4 | 150.8 | -164.9 | 68.8 | 0 | 0 | 0 | 0 | 113.3 | E293 E294 L295 | T291-E293 PolarHBondContact O-N 2.94Å; T291-E293 VanDerWaalsContact O-N 3.09Å; T291-E294 WeakPolarHBondContact CG2-OE1 3.45Å; T291-E294 PolarHBondContact N-OE1 2.82Å; T291-E294 PolarHBondContact O-N 3Å; T291-E294 VanDerWaalsContact O-N 3.07Å; T291-E294 WeakPolarHBondContact OG1-CG 3.19Å; T291-E294 PolarHBondContact OG1-N 3.38Å; T291-E294 PolarHBondContact OG1-OE1 2.81Å; T291-L295 PolarHBondContact O-N 2.94Å | ||
| 292 | P | 81.4 | Confident | 83.6 | Confident | 35 Ų | 35 | 56.3 Ų | 56.3 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.7 | -21.5 | 168.1 | -29.6 | 36.9 | 0 | 0 | 0 | 114.8 | N296 L349 L350 | P292-N296 VanDerWaalsContact O-CB 3.28Å; P292-N296 WeakPolarHBondContact O-CB 3.34Å; P292-N296 PolarHBondContact O-ND2 2.93Å; P292-L349 HydrophobicContact CG-CD2 4.4Å; P292-L349 HydrophobicContact CG-CG 4.5Å; P292-L350 WeakPolarHBondContact CG-O 3.42Å |
| 293 | E | 76.9 | Confident | 83.4 | Confident | 176 Ų | 176 | 60 Ų | 60 | 82% | 0.822 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -79.6 | -23.5 | 179.2 | -60.9 | -176.3 | -178.8 | 0 | 0 | 112.4 | T291 | T291-E293 PolarHBondContact O-N 2.94Å; T291-E293 VanDerWaalsContact O-N 3.09Å |
| 294 | E | 75 | Confident | 83.3 | Confident | 111 Ų | 111 | 55.4 Ų | 55.4 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -96.2 | -29.3 | 179.1 | -68 | 164.5 | -110.7 | 0 | 0 | 114 | R290 T291 | R290-E294 HydrophobicContact CG-CB 4.26Å; R290-E294 WeakPolarHBondContact CG-OE2 3.41Å; R290-E294 IonicContact CZ-OE2 2.62Å; R290-E294 IonicContact NE-OE2 3.68Å; R290-E294 PolarHBondContact NE-OE2 2.81Å; R290-E294 IonicContact NH2-OE2 2.68Å; T291-E294 WeakPolarHBondContact CG2-OE1 3.45Å; T291-E294 PolarHBondContact N-OE1 2.82Å; T291-E294 PolarHBondContact O-N 3Å; T291-E294 VanDerWaalsContact O-N 3.07Å; T291-E294 WeakPolarHBondContact OG1-CG 3.19Å; T291-E294 PolarHBondContact OG1-N 3.38Å; T291-E294 PolarHBondContact OG1-OE1 2.81Å |
| 295 | L | 78.6 | Confident | 83.2 | Confident | 28 Ų | 28 | 60 Ų | 60 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -99.2 | -9 | -169.5 | -96.3 | 165.7 | 0 | 0 | 0 | 115.1 | I286 R290 T291 P297 I298 L349 | I286-L295 HydrophobicContact CG2-CD1 3.58Å; I286-L295 HydrophobicContact CG2-CD2 4.23Å; R290-L295 HydrophobicContact CB-CD1 3.66Å; R290-L295 HydrophobicContact CB-CG 4.5Å; R290-L295 HydrophobicContact CG-CD1 3.79Å; R290-L295 HydrophobicContact CG-CG 4.1Å; T291-L295 PolarHBondContact O-N 2.94Å; L295-P297 CarbonylContact O-C 3.59Å; L295-I298 WeakPolarHBondContact O-CA 3.3Å; L295-I298 PolarHBondContact O-N 3.49Å; L295-L349 HydrophobicContact CB-CD2 4.37Å; L295-L349 HydrophobicContact CD1-CD2 3.87Å |
| 296 | N | 84 | Confident | 83.2 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 31% | 0.31 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -96.4 | 132.2 | -172.9 | -76.3 | -25.3 | 0 | 0 | 0 | 112.9 | P292 T348 L349 | P292-N296 VanDerWaalsContact O-CB 3.28Å; P292-N296 WeakPolarHBondContact O-CB 3.34Å; P292-N296 PolarHBondContact O-ND2 2.93Å; N296-T348 HydrophobicContact CB-CG2 4.36Å; N296-T348 WeakPolarHBondContact OD1-CA 3.32Å; N296-L349 PolarHBondContact ND2-O 2.7Å; N296-L349 PolarHBondContact OD1-N 2.82Å |
| 297 | P | 82.9 | Confident | 83.2 | Confident | 75 Ų | 75 | 59.5 Ų | 59.5 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | S | Bend | cis | -78 | 144.1 | -5.2 | 32.5 | -34.6 | 0 | 0 | 0 | 112.7 | L295 L299 E346 | L295-P297 CarbonylContact O-C 3.59Å; P297-L299 PolarHBondContact O-N 2.88Å; P297-E346 HydrophobicContact CB-CB 4.06Å; P297-E346 HydrophobicContact CB-CG 4.26Å |
| 298 | I | 86 | Confident | 83.3 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -65.1 | 126.2 | 179.4 | -63.9 | 158.3 | 0 | 0 | 0 | 109.5 | A284 I286 L295 V300 F338 L347 L349 | A284-I298 HydrophobicContact CB-CG2 3.97Å; I286-I298 HydrophobicContact CD1-CD1 3.7Å; I286-I298 HydrophobicContact CD1-CG1 4.08Å; I286-I298 HydrophobicContact CD1-CG2 3.89Å; I286-I298 HydrophobicContact CG1-CG2 4.04Å; L295-I298 WeakPolarHBondContact O-CA 3.3Å; L295-I298 PolarHBondContact O-N 3.49Å; I298-V300 PolarHBondContact O-N 2.9Å; I298-V300 VanDerWaalsContact O-N 3.13Å; I298-F338 HydrophobicContact CD1-CD1 3.77Å; I298-F338 HydrophobicContact CD1-CE1 3.72Å; I298-L347 HydrophobicContact CB-CB 4.25Å; I298-L347 HydrophobicContact CB-CD2 4.19Å; I298-L347 HydrophobicContact CB-CG 4.47Å; I298-L347 HydrophobicContact CD1-CD2 3.86Å; I298-L347 HydrophobicContact CD1-CG 3.93Å; I298-L347 HydrophobicContact CG2-CD2 4.11Å; I298-L347 PolarHBondContact N-O 3.03Å; I298-L349 HydrophobicContact CD1-CB 4.08Å |
| 299 | L | 86.2 | Confident | 83.2 | Confident | 142 Ų | 142 | 61.6 Ų | 61.6 | 74% | 0.743 | 33% | 0.327 | S | S | * | . | trans | -72.9 | 105.3 | 179.7 | -176.2 | 63.1 | 0 | 0 | 0 | 111.6 | P297 | P297-L299 PolarHBondContact O-N 2.88Š| ||
| 300 | V | 87.5 | Confident | 83.3 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | trans | -92.9 | 138.3 | 173.4 | -173 | 0 | 0 | 0 | 0 | 110.7 | Y282 A284 I298 P302 P303 I304 L347 L381 | Y282-V300 HydrophobicContact CD1-CG1 4.27Å; Y282-V300 HydrophobicContact CG-CG1 4.29Å; A284-V300 HydrophobicContact CB-CG2 4.36Å; I298-V300 PolarHBondContact O-N 2.9Å; I298-V300 VanDerWaalsContact O-N 3.13Å; V300-P302 CarbonylContact C-O 3.19Å; V300-P302 CarbonylContact O-C 3.57Å; V300-P303 WeakPolarHBondContact O-CA 3.11Å; V300-I304 HydrophobicContact CB-CD1 4.32Å; V300-I304 HydrophobicContact CB-CG1 4.19Å; V300-I304 HydrophobicContact CG1-CD1 4.05Å; V300-I304 HydrophobicContact CG1-CG1 3.8Å; V300-I304 HydrophobicContact CG2-CD1 4.08Å; V300-I304 HydrophobicContact CG2-CG1 4.5Å; V300-L347 HydrophobicContact CG2-CB 4.23Å; V300-L347 HydrophobicContact CG2-CD2 4.29Å; V300-L381 HydrophobicContact CG1-CD1 3.7Å; V300-L381 HydrophobicContact CG2-CD1 4.23Å | ||
| 301 | T | 83.6 | Confident | 83.2 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -122.7 | 129.1 | -179.2 | 62.2 | 0 | 0 | 0 | 0 | 111.8 | Q283 | Q283-T301 PolarHBondContact N-O 2.99Å; Q283-T301 PolarHBondContact O-N 3.36Å; Q283-T301 PolarHBondContact O-OG1 2.83Å |
| 302 | P | 84.9 | Confident | 83 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 31% | 0.305 | 32% | 0.324 | S | S | . | . | S | Bend | cis | -54.6 | 165.2 | -21.7 | 26.8 | -33.3 | 0 | 0 | 0 | 111.7 | P267 L280 Y282 V300 I304 | P267-P302 HydrophobicContact CG-CB 4.41Å; P267-P302 HydrophobicContact CG-CG 4.16Å; L280-P302 HydrophobicContact CD2-CG 4.05Å; Y282-P302 HydrophobicContact CD1-CG 3.9Å; Y282-P302 WeakPolarHBondContact CD1-O 2.99Å; Y282-P302 HydrophobicContact CE1-CG 3.88Å; V300-P302 CarbonylContact C-O 3.19Å; V300-P302 CarbonylContact O-C 3.57Å; P302-I304 PolarHBondContact O-N 2.78Å |
| 303 | P | 85.7 | Confident | 82.9 | Confident | 79 Ų | 79 | 61 Ų | 61 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | trans | -59.9 | 137.5 | 177.1 | 25 | -34.7 | 0 | 0 | 0 | 110.8 | V300 Q305 | V300-P303 WeakPolarHBondContact O-CA 3.11Å; P303-Q305 PolarHBondContact O-N 2.94Å; P303-Q305 VanDerWaalsContact O-N 3.16Å | ||
| 304 | I | 88.3 | Confident | 82.4 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | trans | -69.4 | 113.8 | 175.8 | -55.6 | 169.3 | 0 | 0 | 0 | 107.9 | F265 Y282 V300 P302 M340 A345 I365 L381 | F265-I304 HydrophobicContact CD1-CG2 4.37Å; F265-I304 HydrophobicContact CE1-CG2 3.85Å; Y282-I304 HydrophobicContact CD1-CG1 4.04Å; Y282-I304 HydrophobicContact CD2-CG1 4.21Å; Y282-I304 HydrophobicContact CE1-CB 4.49Å; Y282-I304 HydrophobicContact CE1-CG1 4.19Å; Y282-I304 HydrophobicContact CE2-CG1 4.36Å; Y282-I304 HydrophobicContact CE2-CG2 4.38Å; Y282-I304 HydrophobicContact CG-CG1 4.04Å; V300-I304 HydrophobicContact CB-CD1 4.32Å; V300-I304 HydrophobicContact CB-CG1 4.19Å; V300-I304 HydrophobicContact CG1-CD1 4.05Å; V300-I304 HydrophobicContact CG1-CG1 3.8Å; V300-I304 HydrophobicContact CG2-CD1 4.08Å; V300-I304 HydrophobicContact CG2-CG1 4.5Å; P302-I304 PolarHBondContact O-N 2.78Å; I304-M340 HydrophobicContact CD1-SD 4.32Å; I304-A345 HydrophobicContact CB-CB 3.88Å; I304-A345 HydrophobicContact CG2-CB 3.59Å; I304-I365 HydrophobicContact CD1-CD1 3.92Å; I304-I365 HydrophobicContact CG1-CD1 4.17Å; I304-I365 HydrophobicContact CG2-CD1 3.61Å; I304-L381 HydrophobicContact CD1-CD2 4.31Å | ||
| 305 | Q | 87.2 | Confident | 82.3 | Confident | 103 Ų | 103 | 56.5 Ų | 56.5 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 138.2 | 173.9 | -67.3 | -176.2 | -11.6 | 0 | 0 | 108 | F265 L266 P303 | F265-Q305 CarbonylContact C-O 3.6Å; F265-Q305 WeakPolarHBondContact CA-O 3.25Å; L266-Q305 HydrophobicContact CB-CB 4.32Å; L266-Q305 PolarHBondContact N-O 2.87Å; P303-Q305 PolarHBondContact O-N 2.94Å; P303-Q305 VanDerWaalsContact O-N 3.16Å |
| 306 | A | 87.3 | Confident | 82.2 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 157.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | P263 M264 F265 I322 Y324 A367 | P263-A306 HydrophobicContact CB-CB 4.37Å; M264-A306 CarbonylContact O-C 3.58Å; M264-A306 WeakPolarHBondContact O-CA 3.47Å; M264-A306 WeakPolarHBondContact O-CB 3.31Å; F265-A306 HydrophobicContact CD1-CB 4.08Å; F265-A306 HydrophobicContact CE1-CB 4.32Å; A306-I322 HydrophobicContact CB-CD1 4.14Å; A306-I322 HydrophobicContact CB-CG2 4.31Å; A306-I322 WeakPolarHBondContact O-CD1 3.33Å; A306-Y324 HydrophobicContact CB-CE1 3.75Å; A306-Y324 PolarHBondContact N-OH 3.4Å; A306-Y324 PolarHBondContact O-OH 3.24Å; A306-A367 HydrophobicContact CB-CB 3.89Å |
| 307 | I | 86.5 | Confident | 81.8 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 19% | 0.185 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 148.1 | 176.7 | 53.4 | 167.3 | 0 | 0 | 0 | 109.2 | P263 M264 L266 | P263-I307 CarbonylContact C-O 3.55Å; P263-I307 WeakPolarHBondContact CA-O 3.44Å; M264-I307 HydrophobicContact CE-CD1 4.12Å; M264-I307 HydrophobicContact CG-CD1 4.03Å; M264-I307 HydrophobicContact CG-CG1 3.7Å; M264-I307 PolarHBondContact N-O 3.45Å; M264-I307 PolarHBondContact O-N 3.03Å; M264-I307 HydrophobicContact SD-CD1 4.03Å; M264-I307 HydrophobicContact SD-CG1 4.38Å; L266-I307 HydrophobicContact CD1-CB 4.47Å; L266-I307 HydrophobicContact CD1-CD1 4.11Å; L266-I307 HydrophobicContact CD1-CG1 4.13Å; L266-I307 HydrophobicContact CD1-CG2 3.58Å; L266-I307 HydrophobicContact CD2-CD1 3.87Å; L266-I307 HydrophobicContact CD2-CG1 4.17Å; L266-I307 HydrophobicContact CG-CD1 4.19Å; L266-I307 HydrophobicContact CG-CG1 4.05Å; L266-I307 HydrophobicContact CG-CG2 4.29Å |
| 308 | D | 84.8 | Confident | 81.3 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | trans | -68.2 | 149.2 | 164 | -153.7 | -25.6 | 0 | 0 | 0 | 109.5 | D310 R311 P320 Q369 | D308-D310 PolarHBondContact OD1-N 2.89Å; D308-R311 WeakPolarHBondContact O-CG 3.25Å; D308-R311 PolarHBondContact O-NE 3.27Å; D308-P320 WeakPolarHBondContact OD2-CG 3.38Å; D308-Q369 PolarHBondContact OD1-NE2 2.92Å; D308-Q369 PolarHBondContact OD2-NE2 3.42Å | ||
| 309 | Q | 80.4 | Confident | 81.1 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -83.2 | -31.8 | 169.7 | -73.9 | -176.3 | 94.5 | 0 | 0 | 110.9 | L261 G262 M264 R311 | L261-Q309 HydrophobicContact CB-CB 3.69Å; L261-Q309 HydrophobicContact CB-CG 4.5Å; L261-Q309 HydrophobicContact CD1-CB 3.76Å; L261-Q309 HydrophobicContact CG-CB 4.38Å; G262-Q309 PolarHBondContact O-NE2 2.88Å; M264-Q309 HydrophobicContact CE-CG 3.48Å; M264-Q309 VanDerWaalsContact CE-CG 3.48Å; Q309-R311 PolarHBondContact O-N 2.7Å |
| 310 | D | 82.5 | Confident | 80.7 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.027 | 33% | 0.327 | C | S | . | . | trans | -86.1 | 62.6 | -172 | -58.3 | -19.2 | 0 | 0 | 0 | 111 | D257 D259 D260 L261 D308 N312 I313 | D257-D310 VanDerWaalsContact OD2-C 3.31Å; D259-D310 WeakPolarHBondContact CA-OD2 3.34Å; D260-D310 PolarHBondContact N-OD2 3.39Å; L261-D310 VanDerWaalsContact CB-OD1 3.28Å; L261-D310 WeakPolarHBondContact CB-OD1 3.4Å; L261-D310 VanDerWaalsContact CD1-OD1 3.32Å; L261-D310 WeakPolarHBondContact CD1-OD1 3.3Å; L261-D310 VanDerWaalsContact CG-OD1 3.27Å; L261-D310 WeakPolarHBondContact CG-OD1 3.36Å; L261-D310 PolarHBondContact N-OD2 2.87Å; D308-D310 PolarHBondContact OD1-N 2.89Å; D310-N312 VanDerWaalsContact C-N 3.26Å; D310-N312 PolarHBondContact O-N 3.36Å; D310-I313 HydrophobicContact CB-CD1 3.74Å; D310-I313 HydrophobicContact CB-CG1 4.09Å; D310-I313 WeakPolarHBondContact O-CG1 3.43Å | ||
| 311 | R | 75.6 | Confident | 80.5 | Confident | 138 Ų | 138 | 61.5 Ų | 61.5 | 52% | 0.521 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -3.7 | -166.8 | -73 | 171.2 | 156.7 | -128.2 | -12.4 | 114.3 | D308 Q309 R319 | D308-R311 WeakPolarHBondContact O-CG 3.25Å; D308-R311 PolarHBondContact O-NE 3.27Å; Q309-R311 PolarHBondContact O-N 2.7Å; R311-R319 PolarHBondContact O-NH1 2.66Å; R311-R319 PolarHBondContact O-NH2 3.33Å |
| 312 | N | 77.6 | Confident | 80.7 | Confident | 78 Ų | 78 | 59.2 Ų | 59.2 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -2.5 | -175.3 | -76.9 | -0.4 | 0 | 0 | 0 | 113.5 | Y222 D257 D310 Q314 R319 | Y222-N312 HydrophobicContact CE1-CB 3.77Å; Y222-N312 WeakPolarHBondContact CE1-ND2 3.47Å; Y222-N312 WeakPolarHBondContact OH-CB 3.38Å; Y222-N312 PolarHBondContact OH-ND2 3.21Å; D257-N312 HydrophobicContact CB-CB 3.86Å; D257-N312 WeakPolarHBondContact OD2-CA 3.09Å; D257-N312 WeakPolarHBondContact OD2-CB 3.48Å; D257-N312 PolarHBondContact OD2-N 3.25Å; D310-N312 VanDerWaalsContact C-N 3.26Å; D310-N312 PolarHBondContact O-N 3.36Å; N312-Q314 WeakPolarHBondContact O-CG 3.2Å; N312-Q314 PolarHBondContact O-N 2.67Å; N312-R319 VanDerWaalsContact C-NH2 3.3Å |
| 313 | I | 80.3 | Confident | 80.9 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.046 | 32% | 0.318 | C | S | . | . | trans | -43.5 | 127.4 | 176.6 | -66.1 | 171 | 0 | 0 | 0 | 110 | D257 D259 D310 D318 R319 | D257-I313 HydrophobicContact CB-CG1 4.42Å; D257-I313 PolarHBondContact OD2-N 3.49Å; D259-I313 HydrophobicContact CB-CD1 4.3Å; D310-I313 HydrophobicContact CB-CD1 3.74Å; D310-I313 HydrophobicContact CB-CG1 4.09Å; D310-I313 WeakPolarHBondContact O-CG1 3.43Å; I313-D318 HydrophobicContact CG2-CB 4.08Å; I313-R319 HydrophobicContact CB-CG 3.8Å; I313-R319 HydrophobicContact CG2-CG 4.13Å; I313-R319 PolarHBondContact O-NE 2.97Å; I313-R319 PolarHBondContact O-NH2 3.07Å | ||
| 314 | Q | 65.4 | Low | 81.2 | Confident | 125 Ų | 125 | 56.5 Ų | 56.5 | 58% | 0.584 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -125.9 | 133.1 | 178.7 | -55.2 | -159.4 | 15.7 | 0 | 0 | 110.8 | N312 | N312-Q314 WeakPolarHBondContact O-CG 3.2Å; N312-Q314 PolarHBondContact O-N 2.67Å |
| 315 | P | 73.7 | Confident | 81.3 | Confident | 68 Ų | 68 | 57.8 Ų | 57.8 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | S | Bend | cis | -69 | 154.4 | -0.5 | 29.1 | -35.1 | 0 | 0 | 0 | 113 | S317 D318 | P315-S317 WeakPolarHBondContact CG-OG 3.43Å; P315-S317 PolarHBondContact O-N 3.08Å; P315-D318 PolarHBondContact O-N 3.4Å |
| 316 | P | 75.1 | Confident | 81.6 | Confident | 91 Ų | 91 | 54.4 Ų | 54.4 | 59% | 0.591 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -62.8 | -8.4 | -179.3 | -25.4 | 35.7 | 0 | 0 | 0 | 116 | D318 R319 | P316-D318 PolarHBondContact O-N 3.27Å; P316-R319 WeakPolarHBondContact O-CD 3.47Å |
| 317 | S | 75.5 | Confident | 81.7 | Confident | 95 Ų | 95 | 58.7 Ų | 58.7 | 66% | 0.664 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -67.1 | -21.8 | 170.3 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | P315 | P315-S317 WeakPolarHBondContact CG-OG 3.43Å; P315-S317 PolarHBondContact O-N 3.08Å |
| 318 | D | 72.7 | Confident | 81.9 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -97.6 | 4.6 | -167.8 | -60.5 | 15.5 | 0 | 0 | 0 | 111.6 | I313 P315 P316 | I313-D318 HydrophobicContact CG2-CB 4.08Å; P315-D318 PolarHBondContact O-N 3.4Å; P316-D318 PolarHBondContact O-N 3.27Å |
| 319 | R | 81.5 | Confident | 82.1 | Confident | 95 Ų | 95 | 60 Ų | 60 | 36% | 0.358 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -76.3 | 128.5 | 174.5 | -67.1 | 163.4 | -170.7 | -135.7 | -8.9 | 109.7 | R311 N312 I313 P316 | R311-R319 PolarHBondContact O-NH1 2.66Å; R311-R319 PolarHBondContact O-NH2 3.33Å; N312-R319 VanDerWaalsContact C-NH2 3.3Å; I313-R319 HydrophobicContact CB-CG 3.8Å; I313-R319 HydrophobicContact CG2-CG 4.13Å; I313-R319 PolarHBondContact O-NE 2.97Å; I313-R319 PolarHBondContact O-NH2 3.07Å; P316-R319 WeakPolarHBondContact O-CD 3.47Å |
| 320 | P | 78.7 | Confident | 82.5 | Confident | 20 Ų | 20 | 61.3 Ų | 61.3 | 13% | 0.13 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 152.8 | 179.3 | 30.6 | -36.8 | 0 | 0 | 0 | 112.4 | D308 Q369 N371 | D308-P320 WeakPolarHBondContact OD2-CG 3.38Å; P320-Q369 HydrophobicContact CB-CB 3.92Å; P320-Q369 HydrophobicContact CB-CG 4.15Å; P320-Q369 HydrophobicContact CG-CB 4.03Å; P320-Q369 HydrophobicContact CG-CG 3.74Å; P320-N371 HydrophobicContact CB-CB 4.18Å |
| 321 | G | 83.2 | Confident | 82.9 | Confident | 26 Ų | 26 | 63.1 Ų | 63.1 | 27% | 0.268 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 163.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q369 D370 | G321-Q369 CarbonylContact O-C 3.54Å; G321-Q369 WeakPolarHBondContact O-CA 3.47Å; G321-D370 PolarHBondContact N-OD1 2.92Å; G321-D370 PolarHBondContact O-N 3.2Å |
| 322 | I | 87.5 | Confident | 83.4 | Confident | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.128 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.7 | 173.9 | -58 | 173.1 | 0 | 0 | 0 | 109.7 | P263 A306 Y324 A367 E368 | P263-I322 HydrophobicContact CB-CD1 4Å; P263-I322 HydrophobicContact CB-CG1 4.4Å; A306-I322 HydrophobicContact CB-CD1 4.14Å; A306-I322 HydrophobicContact CB-CG2 4.31Å; A306-I322 WeakPolarHBondContact O-CD1 3.33Å; I322-Y324 HydrophobicContact CB-CE2 4.28Å; I322-Y324 HydrophobicContact CG2-CD2 4.42Å; I322-Y324 HydrophobicContact CG2-CE1 4.12Å; I322-Y324 HydrophobicContact CG2-CE2 3.93Å; I322-A367 HydrophobicContact CG2-CB 3.99Å; I322-E368 CarbonylContact C-O 3.52Å; I322-E368 WeakPolarHBondContact CA-O 3.47Å |
| 323 | L | 89.7 | Confident | 84 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 25% | 0.251 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 137.8 | 172.5 | -62.2 | 173.5 | 0 | 0 | 0 | 110.8 | P342 R343 A367 E368 D370 | L323-P342 CarbonylContact C-O 3.46Å; L323-P342 WeakPolarHBondContact CA-O 3.17Å; L323-P342 HydrophobicContact CD2-CB 4.44Å; L323-R343 HydrophobicContact CD2-CG 4.07Å; L323-A367 CarbonylContact O-C 3.56Å; L323-A367 VanDerWaalsContact O-CA 3.31Å; L323-A367 WeakPolarHBondContact O-CA 3.44Å; L323-E368 HydrophobicContact CB-CG 3.97Å; L323-E368 PolarHBondContact N-O 2.85Å; L323-E368 PolarHBondContact O-N 2.99Å; L323-D370 HydrophobicContact CD1-CB 3.73Å; L323-D370 HydrophobicContact CD2-CB 4.37Å; L323-D370 HydrophobicContact CG-CB 3.77Å |
| 324 | Y | 91.5 | Very high | 84.5 | Confident | 21 Ų | 21 | 65 Ų | 65 | 8% | 0.082 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.1 | -179.9 | -56.8 | -92.4 | 0 | 0 | 0 | 110.8 | F265 A306 I322 P342 A345 K366 A367 | F265-Y324 HydrophobicContact CE1-CD1 4.24Å; F265-Y324 HydrophobicContact CE1-CE1 4.13Å; A306-Y324 HydrophobicContact CB-CE1 3.75Å; A306-Y324 PolarHBondContact N-OH 3.4Å; A306-Y324 PolarHBondContact O-OH 3.24Å; I322-Y324 HydrophobicContact CB-CE2 4.28Å; I322-Y324 HydrophobicContact CG2-CD2 4.42Å; I322-Y324 HydrophobicContact CG2-CE1 4.12Å; I322-Y324 HydrophobicContact CG2-CE2 3.93Å; Y324-P342 WeakPolarHBondContact CD2-O 3.33Å; Y324-P342 PolarHBondContact N-O 3.26Å; Y324-P342 WeakPolarHBondContact O-CA 3.36Å; Y324-A345 HydrophobicContact CD1-CB 3.67Å; Y324-A345 HydrophobicContact CD2-CB 3.81Å; Y324-A345 HydrophobicContact CE1-CB 3.88Å; Y324-A345 HydrophobicContact CE2-CB 4.03Å; Y324-A345 HydrophobicContact CG-CB 3.62Å; Y324-K366 VanDerWaalsContact CA-O 3.32Å; Y324-K366 WeakPolarHBondContact CA-O 3.49Å; Y324-A367 HydrophobicContact CD1-CB 4.07Å; Y324-A367 HydrophobicContact CE1-CB 4.13Å |
| 325 | S | 91.7 | Very high | 85.7 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 151.4 | 175.9 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | M340 I365 K366 | S325-M340 WeakPolarHBondContact O-CE 3.45Å; S325-I365 CarbonylContact O-C 3.37Å; S325-I365 WeakPolarHBondContact O-CA 3.33Å; S325-K366 PolarHBondContact N-O 2.76Å; S325-K366 PolarHBondContact O-N 3.04Å |
| 326 | I | 92.1 | Very high | 86.4 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 16% | 0.164 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 117.9 | 171.7 | -48.3 | 172.7 | 0 | 0 | 0 | 107.6 | Y334 M340 L347 L363 I365 | I326-Y334 HydrophobicContact CB-CE2 4.05Å; I326-Y334 HydrophobicContact CD1-CE2 4.23Å; I326-Y334 HydrophobicContact CG2-CD2 4.28Å; I326-Y334 HydrophobicContact CG2-CE2 3.48Å; I326-Y334 VanDerWaalsContact CG2-CE2 3.48Å; I326-M340 HydrophobicContact CD1-CB 4Å; I326-M340 HydrophobicContact CG1-CB 3.84Å; I326-M340 HydrophobicContact CG1-CE 4Å; I326-L347 HydrophobicContact CD1-CD1 4.2Å; I326-L363 HydrophobicContact CD1-CD1 4.42Å; I326-L363 HydrophobicContact CG2-CB 4.27Å; I326-I365 HydrophobicContact CG1-CG2 4.49Å |
| 327 | L | 89.9 | Confident | 87.2 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 52% | 0.524 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -42.2 | -174.4 | -177.9 | 68.8 | 0 | 0 | 0 | 112.7 | V364 F378 | L327-V364 HydrophobicContact CB-CG1 4.42Å; L327-V364 HydrophobicContact CD2-CG1 4.33Å; L327-V364 PolarHBondContact N-O 3.38Å; L327-F378 HydrophobicContact CD2-CD1 4.09Å; L327-F378 HydrophobicContact CD2-CE1 3.87Å |
| 328 | V | 90.8 | Very high | 88 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 160.1 | -177.6 | 61.9 | 0 | 0 | 0 | 0 | 109 | V364 | V328-V364 HydrophobicContact CG1-CB 3.9Å; V328-V364 HydrophobicContact CG1-CG2 3.89Å; V328-V364 PolarHBondContact O-N 3.09Å |
| 329 | G | 88.4 | Confident | 88.8 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 162.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D362 | G329-D362 CarbonylContact C-O 3.59Å; G329-D362 WeakPolarHBondContact CA-O 3.49Å |
| 330 | T | 89.4 | Confident | 89.3 | Confident | 83 Ų | 83 | 52.5 Ų | 52.5 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 131.1 | 171.6 | 58.6 | 0 | 0 | 0 | 0 | 110.3 | F361 D362 | T330-F361 WeakPolarHBondContact O-CA 3.5Å; T330-D362 PolarHBondContact N-O 2.97Å; T330-D362 PolarHBondContact O-N 3.46Å |
| 331 | P | 89.9 | Confident | 89.9 | Confident | 43 Ų | 43 | 55.5 Ų | 55.5 | 28% | 0.279 | 29% | 0.292 | S | S | . | . | S | Bend | cis | -65 | 160.3 | -2.7 | 30.7 | -39.1 | 0 | 0 | 0 | 113.9 | D333 Y334 F361 | P331-D333 VanDerWaalsContact CB-OD1 3.3Å; P331-D333 WeakPolarHBondContact CB-OD1 3.09Å; P331-D333 WeakPolarHBondContact CG-OD1 3.34Å; P331-D333 PolarHBondContact O-N 3.23Å; P331-Y334 PolarHBondContact O-N 3.16Å; P331-F361 HydrophobicContact CG-CD1 3.85Å; P331-F361 HydrophobicContact CG-CE1 3.68Å |
| 332 | E | 87.1 | Confident | 90.1 | Very high | 179 Ų | 179 | 56.9 Ų | 56.9 | 84% | 0.836 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.5 | -172.3 | -64.4 | -175.3 | 168 | 0 | 0 | 113.7 | Y334 P335 | E332-Y334 VanDerWaalsContact C-N 3.26Å; E332-Y334 PolarHBondContact O-N 3.4Å; E332-P335 VanDerWaalsContact O-CD 3.26Å; E332-P335 WeakPolarHBondContact O-CD 3.38Å |
| 333 | D | 89.8 | Confident | 90.1 | Very high | 54 Ų | 54 | 63 Ų | 63 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 8.9 | 177.1 | 63 | -20 | 0 | 0 | 0 | 113.9 | P331 P335 R336 H358 | P331-D333 VanDerWaalsContact CB-OD1 3.3Å; P331-D333 WeakPolarHBondContact CB-OD1 3.09Å; P331-D333 WeakPolarHBondContact CG-OD1 3.34Å; P331-D333 PolarHBondContact O-N 3.23Å; D333-P335 WeakPolarHBondContact O-CD 3.48Å; D333-R336 WeakPolarHBondContact O-CB 3.35Å; D333-R336 PolarHBondContact O-N 2.81Å; D333-H358 IonicContact OD1-CE1 2.67Å; D333-H358 IonicContact OD2-CE1 3.63Å; D333-H358 PolarHBondContact OD2-CE1 2.94Å; D333-H358 IonicContact OD2-NE2 3.76Å |
| 334 | Y | 90.5 | Very high | 89.9 | Confident | 31 Ų | 31 | 63.9 Ų | 63.9 | 12% | 0.122 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -45.6 | -31.9 | 170.4 | 83.5 | -92.4 | 0 | 0 | 0 | 115.5 | I326 P331 E332 R336 F337 F338 L363 | I326-Y334 HydrophobicContact CB-CE2 4.05Å; I326-Y334 HydrophobicContact CD1-CE2 4.23Å; I326-Y334 HydrophobicContact CG2-CD2 4.28Å; I326-Y334 HydrophobicContact CG2-CE2 3.48Å; I326-Y334 VanDerWaalsContact CG2-CE2 3.48Å; P331-Y334 PolarHBondContact O-N 3.16Å; E332-Y334 VanDerWaalsContact C-N 3.26Å; E332-Y334 PolarHBondContact O-N 3.4Å; Y334-R336 PolarHBondContact O-N 2.99Å; Y334-R336 VanDerWaalsContact O-N 3.17Å; Y334-F337 PolarHBondContact O-N 2.96Å; Y334-F338 PolarHBondContact O-N 2.57Å; Y334-L363 HydrophobicContact CD1-CD2 4.25Å; Y334-L363 HydrophobicContact CD2-CD2 3.85Å; Y334-L363 HydrophobicContact CG-CD2 3.67Å |
| 335 | P | 90.4 | Very high | 89.6 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.5 | -11.1 | 178.8 | -19.6 | 34.3 | 0 | 0 | 0 | 114.3 | E332 D333 L350 | E332-P335 VanDerWaalsContact O-CD 3.26Å; E332-P335 WeakPolarHBondContact O-CD 3.38Å; D333-P335 WeakPolarHBondContact O-CD 3.48Å; P335-L350 WeakPolarHBondContact O-CD1 3.44Å |
| 336 | R | 89.4 | Confident | 89.4 | Confident | 126 Ų | 126 | 65.5 Ų | 65.5 | 48% | 0.475 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -79.6 | -26.7 | 168.6 | -70.6 | -177.8 | 58.2 | -151.2 | -4 | 113 | D333 Y334 L350 E351 | D333-R336 WeakPolarHBondContact O-CB 3.35Å; D333-R336 PolarHBondContact O-N 2.81Å; Y334-R336 PolarHBondContact O-N 2.99Å; Y334-R336 VanDerWaalsContact O-N 3.17Å; R336-L350 VanDerWaalsContact O-CB 3.29Å; R336-L350 WeakPolarHBondContact O-CB 3.05Å; R336-E351 IonicContact CZ-OE1 3.1Å; R336-E351 IonicContact CZ-OE2 3.01Å; R336-E351 IonicContact NE-OE1 3.59Å; R336-E351 PolarHBondContact NE-OE1 2.96Å; R336-E351 IonicContact NE-OE2 3.75Å; R336-E351 IonicContact NH2-OE1 2.76Å; R336-E351 PolarHBondContact NH2-OE1 2.94Å; R336-E351 IonicContact NH2-OE2 2.66Å; R336-E351 PolarHBondContact NH2-OE2 2.85Å; R336-E351 WeakPolarHBondContact O-CG 3.11Å |
| 337 | F | 91 | Very high | 89.4 | Confident | 10 Ų | 10 | 64 Ų | 64 | 4% | 0.044 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -102.6 | -33.4 | -175 | -60.1 | -71.8 | 0 | 0 | 0 | 112.2 | Y334 L349 L350 E351 V353 H358 F361 | Y334-F337 PolarHBondContact O-N 2.96Å; F337-L349 CarbonylContact O-C 3.59Å; F337-L349 VanDerWaalsContact O-CA 3.27Å; F337-L349 WeakPolarHBondContact O-CA 3.32Å; F337-L350 PolarHBondContact O-N 2.96Å; F337-E351 HydrophobicContact CD1-CB 4.01Å; F337-E351 HydrophobicContact CE1-CB 4.26Å; F337-V353 HydrophobicContact CB-CG2 4.22Å; F337-V353 HydrophobicContact CD1-CG2 3.56Å; F337-V353 HydrophobicContact CE1-CG2 4.11Å; F337-V353 HydrophobicContact CG-CG2 4.01Å; F337-H358 AromaticContact CE2-CE1 3.91Å; F337-H358 AromaticContact CE2-NE2 3.63Å; F337-H358 AromaticContact CZ-CD2 3.78Å; F337-H358 AromaticContact CZ-NE2 3.5Å; F337-H358 WeakPolarHBondContact CZ-NE2 3.39Å; F337-F361 HydrophobicContact CB-CE1 4.44Å; F337-F361 HydrophobicContact CB-CZ 4.34Å; F337-F361 AromaticContact CD2-CE1 3.63Å; F337-F361 HydrophobicContact CD2-CE1 3.63Å; F337-F361 AromaticContact CD2-CZ 3.67Å; F337-F361 HydrophobicContact CD2-CZ 3.67Å; F337-F361 HydrophobicContact CE2-CE1 4.2Å; F337-F361 HydrophobicContact CE2-CZ 4.09Å; F337-F361 HydrophobicContact CG-CE1 4.26Å; F337-F361 HydrophobicContact CG-CZ 4.01Å |
| 338 | F | 92.2 | Very high | 89.4 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 132.1 | -170.6 | -58.1 | -69.9 | 0 | 0 | 0 | 114.2 | I286 I298 Y334 L347 T348 L349 V353 F361 L363 I383 | I286-F338 HydrophobicContact CD1-CE1 3.52Å; I286-F338 HydrophobicContact CD1-CZ 3.93Å; I298-F338 HydrophobicContact CD1-CD1 3.77Å; I298-F338 HydrophobicContact CD1-CE1 3.72Å; Y334-F338 PolarHBondContact O-N 2.57Å; F338-L347 HydrophobicContact CB-CD1 4.34Å; F338-L347 HydrophobicContact CD1-CD2 4.3Å; F338-L347 HydrophobicContact CD1-CG 4.41Å; F338-T348 WeakPolarHBondContact CA-O 3.42Å; F338-L349 HydrophobicContact CD1-CD1 4.39Å; F338-L349 HydrophobicContact CE1-CD1 3.74Å; F338-L349 HydrophobicContact CZ-CD1 4.19Å; F338-V353 HydrophobicContact CZ-CG2 4.4Å; F338-F361 HydrophobicContact CD2-CD1 4.23Å; F338-F361 HydrophobicContact CD2-CG 4.33Å; F338-F361 HydrophobicContact CE2-CB 4.24Å; F338-F361 AromaticContact CE2-CD1 3.77Å; F338-F361 HydrophobicContact CE2-CD1 3.77Å; F338-F361 AromaticContact CE2-CD2 3.55Å; F338-F361 HydrophobicContact CE2-CD2 3.55Å; F338-F361 AromaticContact CE2-CE1 3.96Å; F338-F361 HydrophobicContact CE2-CE1 3.96Å; F338-F361 AromaticContact CE2-CE2 3.75Å; F338-F361 HydrophobicContact CE2-CE2 3.75Å; F338-F361 AromaticContact CE2-CG 3.58Å; F338-F361 HydrophobicContact CE2-CG 3.58Å; F338-F361 AromaticContact CE2-CZ 3.95Å; F338-F361 HydrophobicContact CE2-CZ 3.95Å; F338-F361 HydrophobicContact CZ-CD2 4.05Å; F338-F361 HydrophobicContact CZ-CE2 4.2Å; F338-F361 HydrophobicContact CZ-CG 4.45Å; F338-L363 HydrophobicContact CB-CD1 4.49Å; F338-L363 HydrophobicContact CD2-CD1 4.49Å; F338-I383 HydrophobicContact CD1-CD1 4.1Å; F338-I383 HydrophobicContact CD2-CD1 4.19Å; F338-I383 HydrophobicContact CE1-CD1 3.92Å; F338-I383 HydrophobicContact CE2-CD1 4.02Å; F338-I383 HydrophobicContact CG-CD1 4.24Å; F338-I383 HydrophobicContact CZ-CD1 3.88Å; F338-I383 HydrophobicContact CZ-CG2 4.23Å |
| 339 | H | 91.1 | Very high | 89.5 | Confident | 91 Ų | 91 | 57 Ų | 57 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.5 | 168.3 | 167.2 | -90.4 | 0 | 0 | 0 | 109.4 | T348 L350 | H339-T348 PolarHBondContact N-O 3.47Å; H339-T348 PolarHBondContact ND1-OG1 2.86Å; H339-T348 PolarHBondContact O-N 2.75Å; H339-T348 PolarHBondContact O-OG1 2.78Å; H339-L350 HydrophobicContact CB-CD1 3.97Å; H339-L350 HydrophobicContact CB-CD2 4.1Å; H339-L350 HydrophobicContact CB-CG 4.12Å |
| 340 | M | 91.9 | Very high | 89.5 | Confident | 11 Ų | 11 | 61 Ų | 61 | 5% | 0.054 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.7 | 176.5 | -174.8 | 173.3 | 58.9 | 0 | 0 | 109.8 | I304 S325 I326 A345 E346 L347 I365 | I304-M340 HydrophobicContact CD1-SD 4.32Å; S325-M340 WeakPolarHBondContact O-CE 3.45Å; I326-M340 HydrophobicContact CD1-CB 4Å; I326-M340 HydrophobicContact CG1-CB 3.84Å; I326-M340 HydrophobicContact CG1-CE 4Å; M340-A345 HydrophobicContact SD-CB 4.43Å; M340-E346 CarbonylContact C-O 3.58Å; M340-E346 WeakPolarHBondContact CA-O 3.44Å; M340-L347 HydrophobicContact CB-CD1 4.25Å; M340-I365 HydrophobicContact CE-CB 4.07Å; M340-I365 HydrophobicContact CE-CG2 3.83Å; M340-I365 HydrophobicContact SD-CG2 3.99Å |
| 341 | H | 89.6 | Confident | 89.4 | Confident | 82 Ų | 82 | 60.5 Ų | 60.5 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | trans | -71.1 | 127.9 | -176 | -174.5 | 84.8 | 0 | 0 | 0 | 111.4 | R343 T344 A345 E346 | H341-R343 VanDerWaalsContact C-N 3.35Å; H341-R343 PolarHBondContact CD2-N 3.18Å; H341-R343 PolarHBondContact O-N 2.72Å; H341-T344 WeakPolarHBondContact CB-OG1 3.08Å; H341-T344 PolarHBondContact CD2-OG1 3.38Å; H341-T344 PolarHBondContact O-N 2.8Å; H341-A345 PolarHBondContact O-N 3.13Å; H341-A345 VanDerWaalsContact O-N 3.11Å; H341-E346 HydrophobicContact CB-CB 4.39Å; H341-E346 PolarHBondContact N-O 3.08Å | ||
| 342 | P | 89.1 | Confident | 89.2 | Confident | 56 Ų | 56 | 61.4 Ų | 61.4 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -21.5 | -163.8 | 23.6 | -34.6 | 0 | 0 | 0 | 115.5 | L323 Y324 | L323-P342 CarbonylContact C-O 3.46Å; L323-P342 WeakPolarHBondContact CA-O 3.17Å; L323-P342 HydrophobicContact CD2-CB 4.44Å; Y324-P342 WeakPolarHBondContact CD2-O 3.33Å; Y324-P342 PolarHBondContact N-O 3.26Å; Y324-P342 WeakPolarHBondContact O-CA 3.36Å |
| 343 | R | 86.1 | Confident | 89.1 | Confident | 154 Ų | 154 | 53 Ų | 53 | 58% | 0.581 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -19.3 | 178.8 | -69.4 | -170.5 | -177.9 | -85 | 2.4 | 115.4 | L323 H341 D370 | L323-R343 HydrophobicContact CD2-CG 4.07Å; H341-R343 VanDerWaalsContact C-N 3.35Å; H341-R343 PolarHBondContact CD2-N 3.18Å; H341-R343 PolarHBondContact O-N 2.72Å; R343-D370 IonicContact CZ-OD2 2.65Å; R343-D370 IonicContact NH1-OD2 2.71Å; R343-D370 PolarHBondContact NH1-OD2 3.36Å; R343-D370 IonicContact NH2-OD2 3.57Å |
| 344 | T | 85 | Confident | 88.7 | Confident | 66 Ų | 66 | 52.1 Ų | 52.1 | 41% | 0.405 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -11.1 | -172.5 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | H341 E346 | H341-T344 WeakPolarHBondContact CB-OG1 3.08Å; H341-T344 PolarHBondContact CD2-OG1 3.38Å; H341-T344 PolarHBondContact O-N 2.8Å; T344-E346 WeakPolarHBondContact CB-OE2 3.49Å; T344-E346 PolarHBondContact O-N 3.14Å; T344-E346 WeakPolarHBondContact OG1-CG 3.27Å; T344-E346 PolarHBondContact OG1-N 2.84Å; T344-E346 PolarHBondContact OG1-OE2 3.12Å |
| 345 | A | 86.5 | Confident | 88.2 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | trans | 60 | 13 | -171 | 0 | 0 | 0 | 0 | 0 | 115 | I304 Y324 M340 H341 L347 | I304-A345 HydrophobicContact CB-CB 3.88Å; I304-A345 HydrophobicContact CG2-CB 3.59Å; Y324-A345 HydrophobicContact CD1-CB 3.67Å; Y324-A345 HydrophobicContact CD2-CB 3.81Å; Y324-A345 HydrophobicContact CE1-CB 3.88Å; Y324-A345 HydrophobicContact CE2-CB 4.03Å; Y324-A345 HydrophobicContact CG-CB 3.62Å; M340-A345 HydrophobicContact SD-CB 4.43Å; H341-A345 PolarHBondContact O-N 3.13Å; H341-A345 VanDerWaalsContact O-N 3.11Å; A345-L347 PolarHBondContact O-N 3.47Å | ||
| 346 | E | 87.6 | Confident | 87.4 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | trans | -66.8 | 122.9 | 177.7 | -71.1 | 164.7 | 133.9 | 0 | 0 | 110.3 | P297 M340 H341 T344 | P297-E346 HydrophobicContact CB-CB 4.06Å; P297-E346 HydrophobicContact CB-CG 4.26Å; M340-E346 CarbonylContact C-O 3.58Å; M340-E346 WeakPolarHBondContact CA-O 3.44Å; H341-E346 HydrophobicContact CB-CB 4.39Å; H341-E346 PolarHBondContact N-O 3.08Å; T344-E346 WeakPolarHBondContact CB-OE2 3.49Å; T344-E346 PolarHBondContact O-N 3.14Å; T344-E346 WeakPolarHBondContact OG1-CG 3.27Å; T344-E346 PolarHBondContact OG1-N 2.84Å; T344-E346 PolarHBondContact OG1-OE2 3.12Å | ||
| 347 | L | 91.6 | Very high | 87 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 136.7 | 175.6 | -168.8 | 76.1 | 0 | 0 | 0 | 109.5 | I298 V300 I326 F338 M340 A345 L381 I383 | I298-L347 HydrophobicContact CB-CB 4.25Å; I298-L347 HydrophobicContact CB-CD2 4.19Å; I298-L347 HydrophobicContact CB-CG 4.47Å; I298-L347 HydrophobicContact CD1-CD2 3.86Å; I298-L347 HydrophobicContact CD1-CG 3.93Å; I298-L347 HydrophobicContact CG2-CD2 4.11Å; I298-L347 PolarHBondContact N-O 3.03Å; V300-L347 HydrophobicContact CG2-CB 4.23Å; V300-L347 HydrophobicContact CG2-CD2 4.29Å; I326-L347 HydrophobicContact CD1-CD1 4.2Å; F338-L347 HydrophobicContact CB-CD1 4.34Å; F338-L347 HydrophobicContact CD1-CD2 4.3Å; F338-L347 HydrophobicContact CD1-CG 4.41Å; M340-L347 HydrophobicContact CB-CD1 4.25Å; A345-L347 PolarHBondContact O-N 3.47Å; L347-L381 HydrophobicContact CD1-CD2 4.14Å; L347-L381 HydrophobicContact CD2-CD2 3.99Å; L347-I383 HydrophobicContact CD2-CD1 3.83Å |
| 348 | T | 90.6 | Very high | 86.6 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 18% | 0.184 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.9 | -176.7 | 48.9 | 0 | 0 | 0 | 0 | 111.4 | N296 F338 H339 | N296-T348 HydrophobicContact CB-CG2 4.36Å; N296-T348 WeakPolarHBondContact OD1-CA 3.32Å; F338-T348 WeakPolarHBondContact CA-O 3.42Å; H339-T348 PolarHBondContact N-O 3.47Å; H339-T348 PolarHBondContact ND1-OG1 2.86Å; H339-T348 PolarHBondContact O-N 2.75Å; H339-T348 PolarHBondContact O-OG1 2.78Å |
| 349 | L | 91.8 | Very high | 86.3 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 138.4 | 168.8 | -165.7 | 72.9 | 0 | 0 | 0 | 109.7 | P292 L295 N296 I298 F337 F338 E351 V353 | P292-L349 HydrophobicContact CG-CD2 4.4Å; P292-L349 HydrophobicContact CG-CG 4.5Å; L295-L349 HydrophobicContact CB-CD2 4.37Å; L295-L349 HydrophobicContact CD1-CD2 3.87Å; N296-L349 PolarHBondContact ND2-O 2.7Å; N296-L349 PolarHBondContact OD1-N 2.82Å; I298-L349 HydrophobicContact CD1-CB 4.08Å; F337-L349 CarbonylContact O-C 3.59Å; F337-L349 VanDerWaalsContact O-CA 3.27Å; F337-L349 WeakPolarHBondContact O-CA 3.32Å; F338-L349 HydrophobicContact CD1-CD1 4.39Å; F338-L349 HydrophobicContact CE1-CD1 3.74Å; F338-L349 HydrophobicContact CZ-CD1 4.19Å; L349-E351 WeakPolarHBondContact CD1-O 3.48Å; L349-E351 WeakPolarHBondContact CG-O 3.42Å; L349-V353 HydrophobicContact CD1-CG2 4.23Å |
| 350 | L | 89.1 | Confident | 86.2 | Confident | 88 Ų | 88 | 67.3 Ų | 67.3 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | trans | -112.2 | -45 | 179.5 | -66.3 | 178.5 | 0 | 0 | 0 | 112.7 | P292 P335 R336 F337 H339 | P292-L350 WeakPolarHBondContact CG-O 3.42Å; P335-L350 WeakPolarHBondContact O-CD1 3.44Å; R336-L350 VanDerWaalsContact O-CB 3.29Å; R336-L350 WeakPolarHBondContact O-CB 3.05Å; F337-L350 PolarHBondContact O-N 2.96Å; H339-L350 HydrophobicContact CB-CD1 3.97Å; H339-L350 HydrophobicContact CB-CD2 4.1Å; H339-L350 HydrophobicContact CB-CG 4.12Å | ||
| 351 | E | 86.7 | Confident | 86.2 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -122.3 | 140.6 | 174.6 | -69 | -176.1 | -140.4 | 0 | 0 | 108.6 | R336 F337 L349 V353 | R336-E351 IonicContact CZ-OE1 3.1Å; R336-E351 IonicContact CZ-OE2 3.01Å; R336-E351 IonicContact NE-OE1 3.59Å; R336-E351 PolarHBondContact NE-OE1 2.96Å; R336-E351 IonicContact NE-OE2 3.75Å; R336-E351 IonicContact NH2-OE1 2.76Å; R336-E351 PolarHBondContact NH2-OE1 2.94Å; R336-E351 IonicContact NH2-OE2 2.66Å; R336-E351 PolarHBondContact NH2-OE2 2.85Å; R336-E351 WeakPolarHBondContact O-CG 3.11Å; F337-E351 HydrophobicContact CD1-CB 4.01Å; F337-E351 HydrophobicContact CE1-CB 4.26Å; L349-E351 WeakPolarHBondContact CD1-O 3.48Å; L349-E351 WeakPolarHBondContact CG-O 3.42Å; E351-V353 PolarHBondContact O-N 3.14Å |
| 352 | P | 85.8 | Confident | 86.3 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 41% | 0.409 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 130.3 | 172.6 | -21.8 | 31.7 | 0 | 0 | 0 | 111.7 | ||
| 353 | V | 85.3 | Confident | 86.5 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 126.8 | 174.7 | 178.6 | 0 | 0 | 0 | 0 | 109.3 | E288 L289 F337 F338 L349 E351 H358 F361 I385 | E288-V353 CarbonylContact C-O 3.6Å; E288-V353 VanDerWaalsContact CA-O 3.3Å; E288-V353 WeakPolarHBondContact CA-O 3.38Å; E288-V353 WeakPolarHBondContact CB-O 3.41Å; L289-V353 PolarHBondContact N-O 3.28Å; F337-V353 HydrophobicContact CB-CG2 4.22Å; F337-V353 HydrophobicContact CD1-CG2 3.56Å; F337-V353 HydrophobicContact CE1-CG2 4.11Å; F337-V353 HydrophobicContact CG-CG2 4.01Å; F338-V353 HydrophobicContact CZ-CG2 4.4Å; L349-V353 HydrophobicContact CD1-CG2 4.23Å; E351-V353 PolarHBondContact O-N 3.14Å; V353-H358 HydrophobicContact CG1-CB 3.96Å; V353-F361 HydrophobicContact CG1-CE2 4.05Å; V353-F361 HydrophobicContact CG1-CZ 4.44Å; V353-F361 HydrophobicContact CG2-CE2 3.97Å; V353-F361 HydrophobicContact CG2-CZ 4.15Å; V353-I385 HydrophobicContact CB-CD1 4.27Å; V353-I385 HydrophobicContact CG1-CD1 3.98Å; V353-I385 HydrophobicContact CG1-CG1 3.93Å; V353-I385 HydrophobicContact CG1-CG2 4.16Å; V353-I385 HydrophobicContact CG2-CD1 4.49Å |
| 354 | N | 81.5 | Confident | 86.7 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 136.8 | 164.5 | 165.3 | -70.7 | 0 | 0 | 0 | 109.7 | E288 L289 D356 F357 H358 | E288-N354 WeakPolarHBondContact OE2-CA 3.44Å; E288-N354 PolarHBondContact OE2-ND2 2.88Å; L289-N354 HydrophobicContact CD2-CB 3.82Å; L289-N354 HydrophobicContact CG-CB 4.5Å; N354-D356 PolarHBondContact O-N 2.71Å; N354-D356 WeakPolarHBondContact OD1-CA 3.48Å; N354-D356 WeakPolarHBondContact OD1-CB 3.27Å; N354-D356 PolarHBondContact OD1-N 2.93Å; N354-F357 HydrophobicContact CB-CD2 3.98Å; N354-F357 HydrophobicContact CB-CE2 4.42Å; N354-F357 PolarHBondContact O-N 2.8Å; N354-F357 WeakPolarHBondContact OD1-CD2 3.33Å; N354-H358 PolarHBondContact O-N 2.94Å |
| 355 | R | 80.7 | Confident | 87.1 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 32% | 0.317 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -25.7 | -171.2 | -179.6 | 173 | 157.6 | -96.5 | 11.2 | 113.9 | E288 F357 Q359 I385 D387 | E288-R355 HydrophobicContact CB-CB 4.02Å; E288-R355 HydrophobicContact CG-CB 4.31Å; E288-R355 VanDerWaalsContact OE2-CB 3.32Å; E288-R355 WeakPolarHBondContact OE2-CB 3.41Å; E288-R355 PolarHBondContact OE2-N 3.36Å; R355-F357 PolarHBondContact O-N 3.07Å; R355-Q359 WeakPolarHBondContact O-CG 3.35Å; R355-I385 HydrophobicContact CB-CG2 4.04Å; R355-I385 HydrophobicContact CG-CG2 4.42Å; R355-D387 WeakPolarHBondContact CD-OD1 3.23Å; R355-D387 IonicContact CZ-OD1 3.31Å; R355-D387 IonicContact CZ-OD2 2.8Å; R355-D387 IonicContact NE-OD1 2.67Å; R355-D387 PolarHBondContact NE-OD1 3.25Å; R355-D387 IonicContact NE-OD2 3.7Å; R355-D387 IonicContact NH1-OD1 3.13Å; R355-D387 PolarHBondContact NH1-OD1 3.28Å; R355-D387 IonicContact NH1-OD2 2.7Å; R355-D387 PolarHBondContact NH1-OD2 3.04Å; R355-D387 VanDerWaalsContact NH1-OD2 3.13Å; R355-D387 IonicContact NH2-OD1 2.67Å; R355-D387 IonicContact NH2-OD2 3.76Å; R355-D387 PolarHBondContact NH2-OD2 3.04Å |
| 356 | D | 72.6 | Confident | 87.3 | Confident | 131 Ų | 131 | 56.2 Ų | 56.2 | 70% | 0.701 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -32.1 | 174.3 | -62.5 | -47.8 | 0 | 0 | 0 | 111.8 | N354 | N354-D356 PolarHBondContact O-N 2.71Å; N354-D356 WeakPolarHBondContact OD1-CA 3.48Å; N354-D356 WeakPolarHBondContact OD1-CB 3.27Å; N354-D356 PolarHBondContact OD1-N 2.93Å |
| 357 | F | 80.9 | Confident | 87.4 | Confident | 161 Ų | 161 | 51.9 Ų | 51.9 | 71% | 0.706 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -42.5 | -179.6 | -58.2 | -81.2 | 0 | 0 | 0 | 112.6 | N354 R355 | N354-F357 HydrophobicContact CB-CD2 3.98Å; N354-F357 HydrophobicContact CB-CE2 4.42Å; N354-F357 PolarHBondContact O-N 2.8Å; N354-F357 WeakPolarHBondContact OD1-CD2 3.33Å; R355-F357 PolarHBondContact O-N 3.07Å |
| 358 | H | 83.4 | Confident | 87.3 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 17% | 0.167 | 27% | 0.267 | C | S | . | . | trans | -137.3 | 107.7 | -176 | -50.7 | -91.1 | 0 | 0 | 0 | 111.1 | D333 F337 V353 N354 F361 I385 | D333-H358 IonicContact OD1-CE1 2.67Å; D333-H358 IonicContact OD2-CE1 3.63Å; D333-H358 PolarHBondContact OD2-CE1 2.94Å; D333-H358 IonicContact OD2-NE2 3.76Å; F337-H358 AromaticContact CE2-CE1 3.91Å; F337-H358 AromaticContact CE2-NE2 3.63Å; F337-H358 AromaticContact CZ-CD2 3.78Å; F337-H358 AromaticContact CZ-NE2 3.5Å; F337-H358 WeakPolarHBondContact CZ-NE2 3.39Å; V353-H358 HydrophobicContact CG1-CB 3.96Å; N354-H358 PolarHBondContact O-N 2.94Å; H358-F361 HydrophobicContact CB-CE2 3.77Å; H358-F361 HydrophobicContact CB-CZ 3.66Å; H358-F361 AromaticContact CG-CZ 3.81Å; H358-I385 WeakPolarHBondContact O-CG1 3.23Å | ||
| 359 | Q | 84.6 | Confident | 87.2 | Confident | 141 Ų | 141 | 53.3 Ų | 53.3 | 66% | 0.659 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -82.7 | -22 | 178.6 | -65.5 | 177.1 | -11.5 | 0 | 0 | 113.4 | R355 I385 | R355-Q359 WeakPolarHBondContact O-CG 3.35Å; Q359-I385 WeakPolarHBondContact O-CB 3.42Å; Q359-I385 PolarHBondContact O-N 2.72Å |
| 360 | K | 89.6 | Confident | 86.9 | Confident | 102 Ų | 102 | 56.3 Ų | 56.3 | 44% | 0.443 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 163.4 | 179.5 | 60.1 | 155.5 | -171.5 | 150.7 | 0 | 112.8 | D362 I383 | K360-D362 IonicContact NZ-OD2 2.66Å; K360-D362 PolarHBondContact NZ-OD2 2.85Å; K360-I383 CarbonylContact C-O 3.53Å; K360-I383 WeakPolarHBondContact CA-O 3.4Å; K360-I383 VanDerWaalsContact CB-O 3.25Å; K360-I383 WeakPolarHBondContact CB-O 3.49Å |
| 361 | F | 92.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.1 | 169.6 | -59.7 | -105.5 | 0 | 0 | 0 | 110.6 | T330 P331 F337 F338 V353 H358 L363 I383 I385 | T330-F361 WeakPolarHBondContact O-CA 3.5Å; P331-F361 HydrophobicContact CG-CD1 3.85Å; P331-F361 HydrophobicContact CG-CE1 3.68Å; F337-F361 HydrophobicContact CB-CE1 4.44Å; F337-F361 HydrophobicContact CB-CZ 4.34Å; F337-F361 AromaticContact CD2-CE1 3.63Å; F337-F361 HydrophobicContact CD2-CE1 3.63Å; F337-F361 AromaticContact CD2-CZ 3.67Å; F337-F361 HydrophobicContact CD2-CZ 3.67Å; F337-F361 HydrophobicContact CE2-CE1 4.2Å; F337-F361 HydrophobicContact CE2-CZ 4.09Å; F337-F361 HydrophobicContact CG-CE1 4.26Å; F337-F361 HydrophobicContact CG-CZ 4.01Å; F338-F361 HydrophobicContact CD2-CD1 4.23Å; F338-F361 HydrophobicContact CD2-CG 4.33Å; F338-F361 HydrophobicContact CE2-CB 4.24Å; F338-F361 AromaticContact CE2-CD1 3.77Å; F338-F361 HydrophobicContact CE2-CD1 3.77Å; F338-F361 AromaticContact CE2-CD2 3.55Å; F338-F361 HydrophobicContact CE2-CD2 3.55Å; F338-F361 AromaticContact CE2-CE1 3.96Å; F338-F361 HydrophobicContact CE2-CE1 3.96Å; F338-F361 AromaticContact CE2-CE2 3.75Å; F338-F361 HydrophobicContact CE2-CE2 3.75Å; F338-F361 AromaticContact CE2-CG 3.58Å; F338-F361 HydrophobicContact CE2-CG 3.58Å; F338-F361 AromaticContact CE2-CZ 3.95Å; F338-F361 HydrophobicContact CE2-CZ 3.95Å; F338-F361 HydrophobicContact CZ-CD2 4.05Å; F338-F361 HydrophobicContact CZ-CE2 4.2Å; F338-F361 HydrophobicContact CZ-CG 4.45Å; V353-F361 HydrophobicContact CG1-CE2 4.05Å; V353-F361 HydrophobicContact CG1-CZ 4.44Å; V353-F361 HydrophobicContact CG2-CE2 3.97Å; V353-F361 HydrophobicContact CG2-CZ 4.15Å; H358-F361 HydrophobicContact CB-CE2 3.77Å; H358-F361 HydrophobicContact CB-CZ 3.66Å; H358-F361 AromaticContact CG-CZ 3.81Å; F361-L363 HydrophobicContact CB-CD2 4.32Å; F361-I383 HydrophobicContact CB-CB 4.22Å; F361-I383 HydrophobicContact CB-CD1 4.41Å; F361-I383 PolarHBondContact N-O 3.38Å; F361-I383 PolarHBondContact O-N 2.8Å; F361-I385 HydrophobicContact CD2-CD1 4.34Å; F361-I385 HydrophobicContact CE2-CD1 4.22Å; F361-I385 HydrophobicContact CE2-CG1 4.33Å |
| 362 | D | 92.2 | Very high | 85.9 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 114 | 173.3 | -68.9 | -73 | 0 | 0 | 0 | 108.9 | G329 T330 K360 H382 | G329-D362 CarbonylContact C-O 3.59Å; G329-D362 WeakPolarHBondContact CA-O 3.49Å; T330-D362 PolarHBondContact N-O 2.97Å; T330-D362 PolarHBondContact O-N 3.46Å; K360-D362 IonicContact NZ-OD2 2.66Å; K360-D362 PolarHBondContact NZ-OD2 2.85Å; D362-H382 IonicContact OD1-CE1 4Å; D362-H382 IonicContact OD1-CG 3.63Å; D362-H382 IonicContact OD1-ND1 3.49Å; D362-H382 PolarHBondContact OD1-ND1 2.97Å |
| 363 | L | 92.4 | Very high | 85.5 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 155.4 | -173.4 | -49.6 | -176.7 | 0 | 0 | 0 | 111.8 | I326 Y334 F338 F361 S380 L381 I383 | I326-L363 HydrophobicContact CD1-CD1 4.42Å; I326-L363 HydrophobicContact CG2-CB 4.27Å; Y334-L363 HydrophobicContact CD1-CD2 4.25Å; Y334-L363 HydrophobicContact CD2-CD2 3.85Å; Y334-L363 HydrophobicContact CG-CD2 3.67Å; F338-L363 HydrophobicContact CB-CD1 4.49Å; F338-L363 HydrophobicContact CD2-CD1 4.49Å; F361-L363 HydrophobicContact CB-CD2 4.32Å; L363-S380 WeakPolarHBondContact O-CA 3.43Å; L363-L381 HydrophobicContact CB-CB 4.26Å; L363-L381 HydrophobicContact CD1-CD2 4.15Å; L363-L381 PolarHBondContact N-O 2.7Å; L363-L381 PolarHBondContact O-N 2.9Å; L363-I383 HydrophobicContact CD1-CD1 3.75Å; L363-I383 HydrophobicContact CG-CD1 4.39Å |
| 364 | V | 91.5 | Very high | 85.3 | Confident | 44 Ų | 44 | 58.9 Ų | 58.9 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.9 | 172.2 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | L327 V328 | L327-V364 HydrophobicContact CB-CG1 4.42Å; L327-V364 HydrophobicContact CD2-CG1 4.33Å; L327-V364 PolarHBondContact N-O 3.38Å; V328-V364 HydrophobicContact CG1-CB 3.9Å; V328-V364 HydrophobicContact CG1-CG2 3.89Å; V328-V364 PolarHBondContact O-N 3.09Å |
| 365 | I | 91.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 151.1 | 179.7 | 62.2 | 172.9 | 0 | 0 | 0 | 111.4 | F265 Y282 I304 S325 I326 M340 F378 A379 L381 | F265-I365 HydrophobicContact CE1-CD1 3.86Å; F265-I365 HydrophobicContact CE1-CG1 4.41Å; F265-I365 HydrophobicContact CZ-CD1 3.96Å; F265-I365 HydrophobicContact CZ-CG1 4Å; Y282-I365 HydrophobicContact CD2-CD1 3.81Å; Y282-I365 HydrophobicContact CE2-CD1 3.83Å; I304-I365 HydrophobicContact CD1-CD1 3.92Å; I304-I365 HydrophobicContact CG1-CD1 4.17Å; I304-I365 HydrophobicContact CG2-CD1 3.61Å; S325-I365 CarbonylContact O-C 3.37Å; S325-I365 WeakPolarHBondContact O-CA 3.33Å; I326-I365 HydrophobicContact CG1-CG2 4.49Å; M340-I365 HydrophobicContact CE-CB 4.07Å; M340-I365 HydrophobicContact CE-CG2 3.83Å; M340-I365 HydrophobicContact SD-CG2 3.99Å; I365-F378 VanDerWaalsContact O-CA 3.28Å; I365-F378 WeakPolarHBondContact O-CA 3.34Å; I365-A379 HydrophobicContact CD1-CB 4.23Å; I365-A379 HydrophobicContact CG1-CB 3.92Å; I365-A379 PolarHBondContact N-O 2.79Å; I365-A379 PolarHBondContact O-N 2.83Å; I365-L381 HydrophobicContact CG2-CB 4.48Å; I365-L381 HydrophobicContact CG2-CD2 4.29Å |
| 366 | K | 91.1 | Very high | 85.7 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 17% | 0.165 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.9 | 179.3 | 179 | -170.6 | 174.1 | -151 | 0 | 109.8 | Y324 S325 E368 P376 A377 F378 | Y324-K366 VanDerWaalsContact CA-O 3.32Å; Y324-K366 WeakPolarHBondContact CA-O 3.49Å; S325-K366 PolarHBondContact N-O 2.76Å; S325-K366 PolarHBondContact O-N 3.04Å; K366-E368 WeakPolarHBondContact CE-OE2 3.46Å; K366-E368 IonicContact NZ-OE1 3.59Å; K366-E368 PolarHBondContact NZ-OE1 2.84Å; K366-E368 IonicContact NZ-OE2 2.74Å; K366-E368 PolarHBondContact NZ-OE2 3.2Å; K366-P376 HydrophobicContact CD-CB 4.45Å; K366-P376 HydrophobicContact CG-CB 4.17Å; K366-A377 CarbonylContact C-O 3.46Å; K366-A377 VanDerWaalsContact CA-O 3.29Å; K366-A377 WeakPolarHBondContact CA-O 3.33Å; K366-F378 HydrophobicContact CB-CD1 3.89Å; K366-F378 HydrophobicContact CB-CE1 3.87Å; K366-F378 HydrophobicContact CD-CE1 3.96Å; K366-F378 HydrophobicContact CD-CZ 4.5Å; K366-F378 HydrophobicContact CG-CD1 4.03Å; K366-F378 HydrophobicContact CG-CE1 3.61Å; K366-F378 HydrophobicContact CG-CZ 4.28Å |
| 367 | A | 89.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P263 F265 A306 I322 L323 Y324 P376 A377 | P263-A367 HydrophobicContact CG-CB 4.32Å; F265-A367 HydrophobicContact CE1-CB 4.17Å; F265-A367 HydrophobicContact CE2-CB 3.92Å; F265-A367 HydrophobicContact CZ-CB 3.62Å; A306-A367 HydrophobicContact CB-CB 3.89Å; I322-A367 HydrophobicContact CG2-CB 3.99Å; L323-A367 CarbonylContact O-C 3.56Å; L323-A367 VanDerWaalsContact O-CA 3.31Å; L323-A367 WeakPolarHBondContact O-CA 3.44Å; Y324-A367 HydrophobicContact CD1-CB 4.07Å; Y324-A367 HydrophobicContact CE1-CB 4.13Å; A367-P376 CarbonylContact O-C 3.57Å; A367-P376 WeakPolarHBondContact O-CA 3.29Å; A367-P376 VanDerWaalsContact O-CB 3.31Å; A367-P376 WeakPolarHBondContact O-CB 3.34Å; A367-A377 PolarHBondContact N-O 3.02Å; A367-A377 PolarHBondContact O-N 2.78Å |
| 368 | E | 90 | Very high | 86.8 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 27% | 0.271 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 152.9 | 179.8 | 65.6 | -164.4 | 124.3 | 0 | 0 | 111.6 | I322 L323 K366 P376 | I322-E368 CarbonylContact C-O 3.52Å; I322-E368 WeakPolarHBondContact CA-O 3.47Å; L323-E368 HydrophobicContact CB-CG 3.97Å; L323-E368 PolarHBondContact N-O 2.85Å; L323-E368 PolarHBondContact O-N 2.99Å; K366-E368 WeakPolarHBondContact CE-OE2 3.46Å; K366-E368 IonicContact NZ-OE1 3.59Å; K366-E368 PolarHBondContact NZ-OE1 2.84Å; K366-E368 IonicContact NZ-OE2 2.74Å; K366-E368 PolarHBondContact NZ-OE2 3.2Å; E368-P376 HydrophobicContact CB-CB 4.16Å |
| 369 | Q | 88.5 | Confident | 87 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 140.8 | 176.8 | -74.3 | 140 | -57.8 | 0 | 0 | 111.4 | D259 L261 D308 P320 G321 N371 G372 H373 | D259-Q369 PolarHBondContact OD1-NE2 3.31Å; L261-Q369 PolarHBondContact O-NE2 2.75Å; L261-Q369 PolarHBondContact O-OE1 3.13Å; D308-Q369 PolarHBondContact OD1-NE2 2.92Å; D308-Q369 PolarHBondContact OD2-NE2 3.42Å; P320-Q369 HydrophobicContact CB-CB 3.92Å; P320-Q369 HydrophobicContact CB-CG 4.15Å; P320-Q369 HydrophobicContact CG-CB 4.03Å; P320-Q369 HydrophobicContact CG-CG 3.74Å; G321-Q369 CarbonylContact O-C 3.54Å; G321-Q369 WeakPolarHBondContact O-CA 3.47Å; Q369-N371 VanDerWaalsContact CB-OD1 3.24Å; Q369-N371 WeakPolarHBondContact CB-OD1 3.17Å; Q369-N371 PolarHBondContact O-N 2.83Å; Q369-G372 PolarHBondContact O-N 3.11Å; Q369-H373 HydrophobicContact CB-CB 3.97Å; Q369-H373 PolarHBondContact OE1-ND1 2.95Å |
| 370 | D | 84.8 | Confident | 87.3 | Confident | 66 Ų | 66 | 46.8 Ų | 46.8 | 35% | 0.353 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -8 | -172.6 | 77.1 | -8.6 | 0 | 0 | 0 | 114.9 | G321 L323 R343 G372 | G321-D370 PolarHBondContact N-OD1 2.92Å; G321-D370 PolarHBondContact O-N 3.2Å; L323-D370 HydrophobicContact CD1-CB 3.73Å; L323-D370 HydrophobicContact CD2-CB 4.37Å; L323-D370 HydrophobicContact CG-CB 3.77Å; R343-D370 IonicContact CZ-OD2 2.65Å; R343-D370 IonicContact NH1-OD2 2.71Å; R343-D370 PolarHBondContact NH1-OD2 3.36Å; R343-D370 IonicContact NH2-OD2 3.57Å; D370-G372 VanDerWaalsContact C-N 3.33Å |
| 371 | N | 81.3 | Confident | 87.4 | Confident | 82 Ų | 82 | 42 Ų | 42 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -12.9 | 166.2 | 66.9 | 0.7 | 0 | 0 | 0 | 113.8 | D259 P320 Q369 H373 | D259-N371 PolarHBondContact OD1-ND2 3.19Å; D259-N371 VanDerWaalsContact OD1-ND2 3.11Å; D259-N371 PolarHBondContact OD2-ND2 2.75Å; P320-N371 HydrophobicContact CB-CB 4.18Å; Q369-N371 VanDerWaalsContact CB-OD1 3.24Å; Q369-N371 WeakPolarHBondContact CB-OD1 3.17Å; Q369-N371 PolarHBondContact O-N 2.83Å; N371-H373 WeakPolarHBondContact OD1-CB 3.08Å; N371-H373 PolarHBondContact OD1-N 2.67Å |
| 372 | G | 72.9 | Confident | 87.3 | Confident | 63 Ų | 63 | 44.2 Ų | 44.2 | 65% | 0.649 | 26% | 0.257 | S | S | * | . | trans | 88.3 | 21.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q369 D370 | Q369-G372 PolarHBondContact O-N 3.11Å; D370-G372 VanDerWaalsContact C-N 3.33Å | ||
| 373 | H | 77.8 | Confident | 87.3 | Confident | 29 Ų | 29 | 41.5 Ų | 41.5 | 13% | 0.134 | 24% | 0.243 | C | C | . | . | trans | -55.2 | 138.1 | 175 | -171.4 | -112.4 | 0 | 0 | 0 | 112.1 | D259 D260 L261 Q369 N371 L375 | D259-H373 IonicContact OD2-CD2 2.63Å; D259-H373 PolarHBondContact OD2-CD2 2.85Å; D259-H373 IonicContact OD2-CG 3.16Å; D260-H373 PolarHBondContact O-CE1 2.83Å; D260-H373 PolarHBondContact O-NE2 3.26Å; L261-H373 PolarHBondContact O-CE1 2.99Å; L261-H373 PolarHBondContact O-ND1 3.45Å; Q369-H373 HydrophobicContact CB-CB 3.97Å; Q369-H373 PolarHBondContact OE1-ND1 2.95Å; N371-H373 WeakPolarHBondContact OD1-CB 3.08Å; N371-H373 PolarHBondContact OD1-N 2.67Å; H373-L375 VanDerWaalsContact C-N 3.3Å; H373-L375 PolarHBondContact O-N 2.96Å; H373-L375 VanDerWaalsContact O-N 3.15Å | ||
| 374 | P | 81.6 | Confident | 87.1 | Confident | 105 Ų | 105 | 46.5 Ų | 46.5 | 68% | 0.682 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -80.5 | 7.1 | -162.8 | 32 | -37.6 | 0 | 0 | 0 | 116.2 | P376 | P374-P376 VanDerWaalsContact C-CD 3.44Å; P374-P376 WeakPolarHBondContact O-CD 3.42Å |
| 375 | L | 83.8 | Confident | 86.9 | Confident | 93 Ų | 93 | 44.9 Ų | 44.9 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | trans | -114.6 | 72 | -172.4 | -63.1 | -176.5 | 0 | 0 | 0 | 113.7 | G262 P263 H373 | G262-L375 WeakPolarHBondContact CA-O 3.37Å; P263-L375 WeakPolarHBondContact CD-O 3.43Å; H373-L375 VanDerWaalsContact C-N 3.3Å; H373-L375 PolarHBondContact O-N 2.96Å; H373-L375 VanDerWaalsContact O-N 3.15Å | ||
| 376 | P | 87.3 | Confident | 86.3 | Confident | 46 Ų | 46 | 48.4 Ų | 48.4 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | trans | -74.2 | 148.7 | 177 | 32.3 | -36.3 | 0 | 0 | 0 | 113 | K366 A367 E368 P374 F378 | K366-P376 HydrophobicContact CD-CB 4.45Å; K366-P376 HydrophobicContact CG-CB 4.17Å; A367-P376 CarbonylContact O-C 3.57Å; A367-P376 WeakPolarHBondContact O-CA 3.29Å; A367-P376 VanDerWaalsContact O-CB 3.31Å; A367-P376 WeakPolarHBondContact O-CB 3.34Å; E368-P376 HydrophobicContact CB-CB 4.16Å; P374-P376 VanDerWaalsContact C-CD 3.44Å; P374-P376 WeakPolarHBondContact O-CD 3.42Å; P376-F378 HydrophobicContact CB-CZ 4.38Å; P376-F378 HydrophobicContact CG-CE2 4.23Å; P376-F378 HydrophobicContact CG-CZ 4.08Å | ||
| 377 | A | 86.2 | Confident | 85.3 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 17% | 0.165 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 159.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P263 F265 K366 A367 | P263-A377 VanDerWaalsContact O-CB 3.27Å; P263-A377 WeakPolarHBondContact O-CB 3.34Å; F265-A377 HydrophobicContact CD2-CB 3.94Å; F265-A377 HydrophobicContact CE2-CB 4.09Å; K366-A377 CarbonylContact C-O 3.46Å; K366-A377 VanDerWaalsContact CA-O 3.29Å; K366-A377 WeakPolarHBondContact CA-O 3.33Å; A367-A377 PolarHBondContact N-O 3.02Å; A367-A377 PolarHBondContact O-N 2.78Å |
| 378 | F | 88.8 | Confident | 84.2 | Confident | 110 Ų | 110 | 52.9 Ų | 52.9 | 48% | 0.482 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 148.2 | -178.7 | -56 | -85 | 0 | 0 | 0 | 112.3 | L327 I365 K366 P376 | L327-F378 HydrophobicContact CD2-CD1 4.09Å; L327-F378 HydrophobicContact CD2-CE1 3.87Å; I365-F378 VanDerWaalsContact O-CA 3.28Å; I365-F378 WeakPolarHBondContact O-CA 3.34Å; K366-F378 HydrophobicContact CB-CD1 3.89Å; K366-F378 HydrophobicContact CB-CE1 3.87Å; K366-F378 HydrophobicContact CD-CE1 3.96Å; K366-F378 HydrophobicContact CD-CZ 4.5Å; K366-F378 HydrophobicContact CG-CD1 4.03Å; K366-F378 HydrophobicContact CG-CE1 3.61Å; K366-F378 HydrophobicContact CG-CZ 4.28Å; P376-F378 HydrophobicContact CB-CZ 4.38Å; P376-F378 HydrophobicContact CG-CE2 4.23Å; P376-F378 HydrophobicContact CG-CZ 4.08Å |
| 379 | A | 89 | Confident | 83.2 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 168.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F265 Y282 I365 | F265-A379 HydrophobicContact CD2-CB 3.84Å; F265-A379 HydrophobicContact CE2-CB 3.96Å; F265-A379 HydrophobicContact CG-CB 4.17Å; F265-A379 HydrophobicContact CZ-CB 4.39Å; Y282-A379 HydrophobicContact CD2-CB 3.99Å; Y282-A379 HydrophobicContact CE2-CB 3.66Å; I365-A379 HydrophobicContact CD1-CB 4.23Å; I365-A379 HydrophobicContact CG1-CB 3.92Å; I365-A379 PolarHBondContact N-O 2.79Å; I365-A379 PolarHBondContact O-N 2.83Å |
| 380 | S | 89.7 | Confident | 82.2 | Confident | 56 Ų | 56 | 55 Ų | 55 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 146.4 | 178.1 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | L280 T281 Y282 L363 | L280-S380 PolarHBondContact O-N 3.03Å; T281-S380 WeakPolarHBondContact CA-O 3.47Å; Y282-S380 PolarHBondContact N-O 3.02Å; L363-S380 WeakPolarHBondContact O-CA 3.43Å |
| 381 | L | 91.6 | Very high | 81.5 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 119.5 | -177.9 | 167.1 | 62 | 0 | 0 | 0 | 109.6 | Y282 V300 I304 L347 L363 I365 I383 | Y282-L381 WeakPolarHBondContact O-CA 3.45Å; V300-L381 HydrophobicContact CG1-CD1 3.7Å; V300-L381 HydrophobicContact CG2-CD1 4.23Å; I304-L381 HydrophobicContact CD1-CD2 4.31Å; L347-L381 HydrophobicContact CD1-CD2 4.14Å; L347-L381 HydrophobicContact CD2-CD2 3.99Å; L363-L381 HydrophobicContact CB-CB 4.26Å; L363-L381 HydrophobicContact CD1-CD2 4.15Å; L363-L381 PolarHBondContact N-O 2.7Å; L363-L381 PolarHBondContact O-N 2.9Å; I365-L381 HydrophobicContact CG2-CB 4.48Å; I365-L381 HydrophobicContact CG2-CD2 4.29Å; L381-I383 HydrophobicContact CD1-CG1 4.5Å; L381-I383 HydrophobicContact CG-CG1 4.3Å |
| 382 | H | 91.6 | Very high | 81.4 | Confident | 45 Ų | 45 | 54 Ų | 54 | 21% | 0.208 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.6 | 179.2 | -172.2 | 73.3 | 0 | 0 | 0 | 110.1 | Y282 Q283 A284 D362 | Y282-H382 PolarHBondContact O-N 3.34Å; Q283-H382 CarbonylContact C-O 3.52Å; Q283-H382 WeakPolarHBondContact CA-O 3.35Å; Q283-H382 HydrophobicContact CG-CB 4.49Å; A284-H382 PolarHBondContact N-O 3.42Å; D362-H382 IonicContact OD1-CE1 4Å; D362-H382 IonicContact OD1-CG 3.63Å; D362-H382 IonicContact OD1-ND1 3.49Å; D362-H382 PolarHBondContact OD1-ND1 2.97Å |
| 383 | I | 91.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 117.6 | -179.2 | -49 | 178.9 | 0 | 0 | 0 | 108.6 | A284 I286 F338 L347 K360 F361 L363 L381 I385 | A284-I383 WeakPolarHBondContact O-CA 3.37Å; I286-I383 HydrophobicContact CD1-CG2 3.46Å; I286-I383 VanDerWaalsContact CD1-CG2 3.46Å; I286-I383 HydrophobicContact CG1-CG2 3.79Å; F338-I383 HydrophobicContact CD1-CD1 4.1Å; F338-I383 HydrophobicContact CD2-CD1 4.19Å; F338-I383 HydrophobicContact CE1-CD1 3.92Å; F338-I383 HydrophobicContact CE2-CD1 4.02Å; F338-I383 HydrophobicContact CG-CD1 4.24Å; F338-I383 HydrophobicContact CZ-CD1 3.88Å; F338-I383 HydrophobicContact CZ-CG2 4.23Å; L347-I383 HydrophobicContact CD2-CD1 3.83Å; K360-I383 CarbonylContact C-O 3.53Å; K360-I383 WeakPolarHBondContact CA-O 3.4Å; K360-I383 VanDerWaalsContact CB-O 3.25Å; K360-I383 WeakPolarHBondContact CB-O 3.49Å; F361-I383 HydrophobicContact CB-CB 4.22Å; F361-I383 HydrophobicContact CB-CD1 4.41Å; F361-I383 PolarHBondContact N-O 3.38Å; F361-I383 PolarHBondContact O-N 2.8Å; L363-I383 HydrophobicContact CD1-CD1 3.75Å; L363-I383 HydrophobicContact CG-CD1 4.39Å; L381-I383 HydrophobicContact CD1-CG1 4.5Å; L381-I383 HydrophobicContact CG-CG1 4.3Å; I383-I385 HydrophobicContact CG2-CD1 4.33Å |
| 384 | E | 88.9 | Confident | 82.6 | Confident | 108 Ų | 108 | 53.8 Ų | 53.8 | 51% | 0.505 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 137.6 | 176.4 | -174.3 | 166.6 | -147.1 | 0 | 0 | 110.5 | A284 A285 I286 | A284-E384 PolarHBondContact O-N 2.71Å; A285-E384 CarbonylContact C-O 3.57Å; A285-E384 WeakPolarHBondContact CA-O 3.19Å; I286-E384 PolarHBondContact N-O 3.28Å |
| 385 | I | 87.1 | Confident | 83 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.046 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 117.5 | 179.5 | -52.8 | -57.8 | 0 | 0 | 0 | 109.9 | I286 E288 V353 R355 H358 Q359 F361 I383 | I286-I385 HydrophobicContact CB-CD1 4.04Å; I286-I385 CarbonylContact O-C 3.56Å; I286-I385 VanDerWaalsContact O-CA 3.3Å; I286-I385 WeakPolarHBondContact O-CA 3.4Å; E288-I385 HydrophobicContact CB-CG2 3.94Å; V353-I385 HydrophobicContact CB-CD1 4.27Å; V353-I385 HydrophobicContact CG1-CD1 3.98Å; V353-I385 HydrophobicContact CG1-CG1 3.93Å; V353-I385 HydrophobicContact CG1-CG2 4.16Å; V353-I385 HydrophobicContact CG2-CD1 4.49Å; R355-I385 HydrophobicContact CB-CG2 4.04Å; R355-I385 HydrophobicContact CG-CG2 4.42Å; H358-I385 WeakPolarHBondContact O-CG1 3.23Å; Q359-I385 WeakPolarHBondContact O-CB 3.42Å; Q359-I385 PolarHBondContact O-N 2.72Å; F361-I385 HydrophobicContact CD2-CD1 4.34Å; F361-I385 HydrophobicContact CE2-CD1 4.22Å; F361-I385 HydrophobicContact CE2-CG1 4.33Å; I383-I385 HydrophobicContact CG2-CD1 4.33Å |
| 386 | L | 79.1 | Confident | 83.2 | Confident | 75 Ų | 75 | 48.2 Ų | 48.2 | 39% | 0.393 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 149.1 | -177.1 | -55 | 178.1 | 0 | 0 | 0 | 111.4 | A285 I286 E288 | A285-L386 HydrophobicContact CB-CD1 3.94Å; A285-L386 HydrophobicContact CB-CD2 4.37Å; A285-L386 HydrophobicContact CB-CG 4.14Å; I286-L386 PolarHBondContact O-N 3.29Å; E288-L386 PolarHBondContact N-O 3Å |
| 387 | D | 70.7 | Confident | 83.3 | Confident | 62 Ų | 62 | 51 Ų | 51 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 137.9 | 165.4 | -99.2 | -30.2 | 0 | 0 | 0 | 111 | R355 | R355-D387 WeakPolarHBondContact CD-OD1 3.23Å; R355-D387 IonicContact CZ-OD1 3.31Å; R355-D387 IonicContact CZ-OD2 2.8Å; R355-D387 IonicContact NE-OD1 2.67Å; R355-D387 PolarHBondContact NE-OD1 3.25Å; R355-D387 IonicContact NE-OD2 3.7Å; R355-D387 IonicContact NH1-OD1 3.13Å; R355-D387 PolarHBondContact NH1-OD1 3.28Å; R355-D387 IonicContact NH1-OD2 2.7Å; R355-D387 PolarHBondContact NH1-OD2 3.04Å; R355-D387 VanDerWaalsContact NH1-OD2 3.13Å; R355-D387 IonicContact NH2-OD1 2.67Å; R355-D387 IonicContact NH2-OD2 3.76Å; R355-D387 PolarHBondContact NH2-OD2 3.04Å |
| 388 | E | 65.9 | Low | 83.3 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | trans | -114.6 | 134.9 | 153 | -63 | -154.6 | 158.8 | 0 | 0 | 108.5 | P287 R290 N390 | P287-E388 VanDerWaalsContact CB-CD 3.47Å; P287-E388 HydrophobicContact CB-CG 3.41Å; P287-E388 VanDerWaalsContact CB-CG 3.41Å; P287-E388 WeakPolarHBondContact CB-OE1 3.03Å; P287-E388 WeakPolarHBondContact CG-OE1 3.37Å; R290-E388 IonicContact CZ-OE1 3.53Å; R290-E388 IonicContact NE-OE1 2.64Å; R290-E388 IonicContact NH1-OE1 3.16Å; R290-E388 PolarHBondContact NH1-OE1 2.99Å; E388-N390 PolarHBondContact O-N 3.25Å; E388-N390 PolarHBondContact O-ND2 3.16Å | ||
| 389 | N | 68.4 | Low | 83.4 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | trans | -60.7 | 112.9 | 177 | 166.9 | -84 | 0 | 0 | 0 | 109.4 | D432 D485 V487 Q488 | N389-D432 VanDerWaalsContact C-OD2 3.28Å; N389-D432 WeakPolarHBondContact CA-OD2 3.31Å; N389-D432 VanDerWaalsContact CG-OD2 3.25Å; N389-D432 PolarHBondContact ND2-OD2 2.89Å; N389-D485 PolarHBondContact ND2-OD2 2.81Å; N389-D485 PolarHBondContact OD1-OD2 2.85Å; N389-V487 WeakPolarHBondContact OD1-CB 3.46Å; N389-Q488 PolarHBondContact OD1-NE2 2.99Å | ||
| 390 | N | 67.5 | Low | 83.6 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 28% | 0.283 | 29% | 0.292 | S | S | . | . | trans | -138.1 | 0 | -173 | 74.3 | 81.1 | 0 | 0 | 0 | 113.4 | E288 E388 D432 Q488 | E288-N390 PolarHBondContact OE1-ND2 2.86Å; E288-N390 VanDerWaalsContact OE1-ND2 3.16Å; E388-N390 PolarHBondContact O-N 3.25Å; E388-N390 PolarHBondContact O-ND2 3.16Å; N390-D432 PolarHBondContact N-OD2 3.3Å; N390-Q488 VanDerWaalsContact C-NE2 3.34Å | ||
| 391 | Q | 71.6 | Confident | 83.7 | Confident | 66 Ų | 66 | 54.9 Ų | 54.9 | 31% | 0.308 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -115.4 | 100.3 | 177.3 | -60.2 | -66.4 | -61.9 | 0 | 0 | 111 | K431 D432 | Q391-K431 HydrophobicContact CB-CB 3.89Å; Q391-K431 HydrophobicContact CB-CD 4.43Å; Q391-K431 HydrophobicContact CB-CG 4.41Å; Q391-K431 HydrophobicContact CG-CB 3.95Å; Q391-K431 HydrophobicContact CG-CD 4.23Å; Q391-D432 VanDerWaalsContact CB-OD1 3.28Å; Q391-D432 WeakPolarHBondContact CB-OD1 3.1Å; Q391-D432 WeakPolarHBondContact CG-OD1 3.2Å; Q391-D432 PolarHBondContact N-OD1 2.82Å; Q391-D432 PolarHBondContact N-OD2 3.31Å |
| 392 | S | 79 | Confident | 83.7 | Confident | 61 Ų | 61 | 54.8 Ų | 54.8 | 43% | 0.427 | 29% | 0.29 | S | S | . | . | trans | -47.2 | 134.3 | 177.2 | 63.3 | 0 | 0 | 0 | 0 | 112.7 | Q488 | S392-Q488 VanDerWaalsContact N-OE1 3.13Š| ||
| 393 | P | 87.4 | Confident | 83.7 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | trans | -55.8 | 148.3 | 178.7 | -27.6 | 35.8 | 0 | 0 | 0 | 112.3 | L429 L441 A483 D485 S490 | P393-L429 CarbonylContact C-O 3.59Å; P393-L429 WeakPolarHBondContact CA-O 3.14Å; P393-L441 HydrophobicContact CB-CD1 4.03Å; P393-L441 HydrophobicContact CB-CD2 3.99Å; P393-L441 HydrophobicContact CG-CD2 3.74Å; P393-A483 HydrophobicContact CB-CB 4.12Å; P393-D485 VanDerWaalsContact CD-OD2 3.24Å; P393-D485 WeakPolarHBondContact CD-OD2 3.35Å; P393-D485 HydrophobicContact CG-CB 3.83Å; P393-D485 VanDerWaalsContact CG-OD2 3.3Å; P393-D485 WeakPolarHBondContact CG-OD2 3.26Å; P393-S490 WeakPolarHBondContact O-CA 3.22Å; P393-S490 WeakPolarHBondContact O-CB 3.31Å | ||
| 394 | Y | 87.3 | Confident | 83.8 | Confident | 86 Ų | 86 | 54.9 Ų | 54.9 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138 | -174.8 | 72.5 | -81.1 | 0 | 0 | 0 | 112.5 | A428 L429 K431 | Y394-A428 VanDerWaalsContact O-CA 3.31Å; Y394-A428 WeakPolarHBondContact O-CA 3.42Å; Y394-L429 HydrophobicContact CD1-CB 4.31Å; Y394-L429 VanDerWaalsContact CD1-O 3.32Å; Y394-L429 WeakPolarHBondContact CD1-O 3.45Å; Y394-L429 HydrophobicContact CE1-CB 3.66Å; Y394-L429 HydrophobicContact CE2-CB 4.36Å; Y394-L429 PolarHBondContact N-O 2.62Å; Y394-L429 PolarHBondContact O-N 3.19Å; Y394-K431 HydrophobicContact CE1-CG 4.09Å |
| 395 | F | 90.3 | Very high | 83.8 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 10% | 0.096 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 141 | 169.7 | -68.1 | -77.3 | 0 | 0 | 0 | 110.8 | M397 Y400 I426 A428 L443 I481 A483 S490 V493 | F395-M397 PolarHBondContact O-N 2.76Å; F395-Y400 HydrophobicContact CD1-CE2 4.03Å; F395-Y400 HydrophobicContact CG-CE2 4.45Å; F395-I426 HydrophobicContact CD1-CG2 4.09Å; F395-I426 HydrophobicContact CE1-CG2 3.85Å; F395-A428 HydrophobicContact CD1-CB 3.79Å; F395-A428 HydrophobicContact CE1-CB 3.86Å; F395-L443 HydrophobicContact CE1-CD1 4.47Å; F395-L443 HydrophobicContact CE1-CD2 3.97Å; F395-L443 HydrophobicContact CZ-CD2 4Å; F395-I481 HydrophobicContact CE1-CG2 4.05Å; F395-I481 HydrophobicContact CE2-CG2 4.24Å; F395-I481 WeakPolarHBondContact CE2-O 3.48Å; F395-I481 HydrophobicContact CZ-CB 4.4Å; F395-I481 HydrophobicContact CZ-CG1 4.24Å; F395-I481 HydrophobicContact CZ-CG2 3.72Å; F395-A483 HydrophobicContact CE1-CB 4.42Å; F395-A483 HydrophobicContact CE2-CB 4.23Å; F395-A483 HydrophobicContact CZ-CB 3.9Å; F395-S490 VanDerWaalsContact CE2-OG 3.3Å; F395-S490 WeakPolarHBondContact CE2-OG 3.16Å; F395-V493 HydrophobicContact CB-CG2 3.88Å; F395-V493 HydrophobicContact CD2-CB 3.85Å; F395-V493 HydrophobicContact CD2-CG2 3.44Å; F395-V493 VanDerWaalsContact CD2-CG2 3.44Å; F395-V493 HydrophobicContact CE2-CB 4.21Å; F395-V493 HydrophobicContact CE2-CG2 4.22Å; F395-V493 HydrophobicContact CG-CB 4.29Å; F395-V493 HydrophobicContact CG-CG2 3.89Å |
| 396 | T | 88.8 | Confident | 84 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 36% | 0.362 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -72.3 | -12.5 | 176.9 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | V427 L429 | T396-V427 HydrophobicContact CG2-CB 4.07Å; T396-V427 HydrophobicContact CG2-CG1 3.72Å; T396-V427 PolarHBondContact N-O 2.94Å; T396-V427 PolarHBondContact OG1-O 2.9Å; T396-V427 VanDerWaalsContact OG1-O 3.08Å; T396-L429 HydrophobicContact CG2-CD1 4.25Å |
| 397 | M | 88.9 | Confident | 84.4 | Confident | 106 Ų | 106 | 52.6 Ų | 52.6 | 52% | 0.522 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -134.5 | 141.1 | 179.4 | -65.9 | -66.7 | 153.5 | 0 | 0 | 110.6 | F395 S399 Y400 | F395-M397 PolarHBondContact O-N 2.76Å; M397-S399 VanDerWaalsContact C-N 3.32Å; M397-S399 PolarHBondContact O-N 3.07Å; M397-Y400 HydrophobicContact CB-CD1 4.47Å; M397-Y400 HydrophobicContact CB-CE1 3.87Å; M397-Y400 HydrophobicContact CG-CE1 4.23Å |
| 398 | P | 86.2 | Confident | 85.1 | Confident | 111 Ų | 111 | 50.4 Ų | 50.4 | 72% | 0.721 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -80.7 | -8.4 | -176.3 | 33.7 | -37.5 | 0 | 0 | 0 | 114.4 | ||
| 399 | S | 91.4 | Very high | 86.2 | Confident | 75 Ų | 75 | 51.8 Ų | 51.8 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 141.8 | 177.9 | 59 | 0 | 0 | 0 | 0 | 110 | M397 V494 | M397-S399 VanDerWaalsContact C-N 3.32Å; M397-S399 PolarHBondContact O-N 3.07Å; S399-V494 CarbonylContact C-O 3.46Å; S399-V494 WeakPolarHBondContact CA-O 3.21Å |
| 400 | Y | 92.2 | Very high | 87.1 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.3 | 176 | -63.6 | -80.6 | 0 | 0 | 0 | 111.2 | F395 M397 L424 R425 I426 V427 V493 V494 V495 N496 | F395-Y400 HydrophobicContact CD1-CE2 4.03Å; F395-Y400 HydrophobicContact CG-CE2 4.45Å; M397-Y400 HydrophobicContact CB-CD1 4.47Å; M397-Y400 HydrophobicContact CB-CE1 3.87Å; M397-Y400 HydrophobicContact CG-CE1 4.23Å; Y400-L424 HydrophobicContact CD1-CD1 4.21Å; Y400-R425 WeakPolarHBondContact CE1-O 3.35Å; Y400-I426 HydrophobicContact CD1-CG1 4.17Å; Y400-I426 HydrophobicContact CD2-CG1 4.39Å; Y400-I426 HydrophobicContact CE1-CB 4.41Å; Y400-I426 HydrophobicContact CE1-CG1 4.17Å; Y400-I426 HydrophobicContact CE2-CG1 4.4Å; Y400-I426 HydrophobicContact CE2-CG2 3.99Å; Y400-I426 HydrophobicContact CG-CG1 4.28Å; Y400-V427 PolarHBondContact OH-N 3.1Å; Y400-V427 PolarHBondContact OH-O 2.93Å; Y400-V493 HydrophobicContact CD2-CG1 3.6Å; Y400-V493 HydrophobicContact CE2-CG1 3.73Å; Y400-V494 PolarHBondContact N-O 2.96Å; Y400-V495 HydrophobicContact CD2-CG2 4.4Å; Y400-V495 WeakPolarHBondContact O-CA 3.5Å; Y400-N496 PolarHBondContact O-N 3.24Å |
| 401 | Q | 92.1 | Very high | 88.1 | Confident | 77 Ų | 77 | 53.4 Ų | 53.4 | 36% | 0.36 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.3 | 176.7 | -177.9 | 65.5 | 55.9 | 0 | 0 | 109.7 | Y403 L424 N496 | Q401-Y403 HydrophobicContact CG-CE2 3.93Å; Q401-Y403 WeakPolarHBondContact CG-OH 3.36Å; Q401-L424 WeakPolarHBondContact O-CD1 3.29Å; Q401-N496 CarbonylContact C-O 3.59Å; Q401-N496 WeakPolarHBondContact CA-O 3.45Å; Q401-N496 PolarHBondContact NE2-O 3.38Å |
| 402 | G | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 158 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S415 N496 I497 R498 | G402-S415 CarbonylContact C-O 3.56Å; G402-S415 VanDerWaalsContact CA-O 3.27Å; G402-S415 WeakPolarHBondContact CA-O 3.24Å; G402-N496 PolarHBondContact N-O 2.86Å; G402-I497 WeakPolarHBondContact O-CA 3.43Å; G402-R498 PolarHBondContact O-N 2.75Å |
| 403 | Y | 92.7 | Very high | 89.5 | Confident | 42 Ų | 42 | 52 Ų | 52 | 17% | 0.165 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 141.3 | 177.4 | -56.2 | -82.8 | 0 | 0 | 0 | 110.2 | Q401 S415 L418 R498 | Q401-Y403 HydrophobicContact CG-CE2 3.93Å; Q401-Y403 WeakPolarHBondContact CG-OH 3.36Å; Y403-S415 PolarHBondContact N-O 2.79Å; Y403-S415 PolarHBondContact O-N 3.01Å; Y403-L418 HydrophobicContact CD1-CD1 4.4Å; Y403-L418 HydrophobicContact CD1-CG 3.96Å; Y403-L418 HydrophobicContact CD2-CD1 4.4Å; Y403-L418 HydrophobicContact CE1-CD1 3.77Å; Y403-L418 HydrophobicContact CE1-CD2 4.46Å; Y403-L418 HydrophobicContact CE1-CG 3.7Å; Y403-L418 HydrophobicContact CE2-CD1 3.77Å; Y403-L418 HydrophobicContact CE2-CG 4.3Å; Y403-L418 HydrophobicContact CG-CG 4.37Å; Y403-L418 VanDerWaalsContact CZ-CD1 3.41Å; Y403-R498 WeakPolarHBondContact CA-O 3.44Å; Y403-R498 HydrophobicContact CD1-CB 4.14Å; Y403-R498 HydrophobicContact CE1-CB 4.32Å |
| 404 | I | 92.3 | Very high | 89.7 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 143.2 | 174.8 | -173.5 | 155.8 | 0 | 0 | 0 | 109.8 | A408 A412 I414 L465 V469 I497 R498 V499 M500 | I404-A408 HydrophobicContact CD1-CB 3.82Å; I404-A408 HydrophobicContact CG1-CB 3.64Å; I404-A412 HydrophobicContact CD1-CB 4.18Å; I404-I414 HydrophobicContact CB-CD1 4.02Å; I404-I414 HydrophobicContact CD1-CD1 3.71Å; I404-I414 HydrophobicContact CG1-CD1 4.47Å; I404-I414 HydrophobicContact CG2-CD1 4.11Å; I404-L465 HydrophobicContact CD1-CB 4.24Å; I404-L465 HydrophobicContact CD1-CD1 4.3Å; I404-L465 HydrophobicContact CD1-CD2 4.09Å; I404-L465 HydrophobicContact CD1-CG 4.45Å; I404-V469 HydrophobicContact CG2-CG2 4.37Å; I404-I497 HydrophobicContact CG2-CG2 3.88Å; I404-R498 PolarHBondContact N-O 2.95Å; I404-V499 CarbonylContact O-C 3.51Å; I404-V499 WeakPolarHBondContact O-CA 3.44Å; I404-M500 PolarHBondContact O-N 2.86Å |
| 405 | L | 90 | Very high | 89.9 | Confident | 54 Ų | 54 | 48.1 Ų | 48.1 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 144.2 | 167.9 | -88 | 157.4 | 0 | 0 | 0 | 110.1 | S407 A408 L420 M500 D501 A502 | L405-S407 VanDerWaalsContact C-N 3.28Å; L405-S407 PolarHBondContact O-N 3.08Å; L405-A408 WeakPolarHBondContact O-CB 3.4Å; L405-A408 PolarHBondContact O-N 3.02Å; L405-A408 VanDerWaalsContact O-N 3.14Å; L405-L420 HydrophobicContact CB-CD1 4.34Å; L405-L420 HydrophobicContact CD1-CD1 3.54Å; L405-L420 HydrophobicContact CG-CD1 3.71Å; L405-M500 WeakPolarHBondContact CA-O 3.41Å; L405-M500 HydrophobicContact CD2-CB 4.3Å; L405-M500 HydrophobicContact CG-CB 4.44Å; L405-D501 WeakPolarHBondContact CD2-O 3.45Å; L405-A502 HydrophobicContact CD2-CB 4.23Å |
| 406 | E | 90.1 | Very high | 89.8 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.065 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -36.5 | 170.4 | 66.4 | -157.9 | 127.2 | 0 | 0 | 112.8 | A408 V469 R471 V499 M500 D501 A502 | E406-A408 PolarHBondContact O-N 2.88Å; E406-V469 WeakPolarHBondContact CA-O 3.48Å; E406-V469 WeakPolarHBondContact CB-O 3.37Å; E406-R471 WeakPolarHBondContact OE2-CB 3.19Å; E406-R471 PolarHBondContact OE2-N 3.01Å; E406-V499 HydrophobicContact CB-CG1 3.78Å; E406-M500 PolarHBondContact N-O 3.35Å; E406-M500 VanDerWaalsContact N-O 3.1Å; E406-D501 WeakPolarHBondContact OE1-CA 3.27Å; E406-A502 HydrophobicContact CG-CB 4.11Å; E406-A502 PolarHBondContact OE1-N 2.81Å |
| 407 | S | 87.9 | Confident | 89.6 | Confident | 76 Ų | 76 | 49.6 Ų | 49.6 | 53% | 0.531 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 12.9 | 172.5 | 83.2 | 0 | 0 | 0 | 0 | 114.2 | L405 | L405-S407 VanDerWaalsContact C-N 3.28Å; L405-S407 PolarHBondContact O-N 3.08Å |
| 408 | A | 86.4 | Confident | 89.4 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 13% | 0.132 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 129.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I404 L405 E406 A412 L465 | I404-A408 HydrophobicContact CD1-CB 3.82Å; I404-A408 HydrophobicContact CG1-CB 3.64Å; L405-A408 WeakPolarHBondContact O-CB 3.4Å; L405-A408 PolarHBondContact O-N 3.02Å; L405-A408 VanDerWaalsContact O-N 3.14Å; E406-A408 PolarHBondContact O-N 2.88Å; A408-A412 HydrophobicContact CB-CB 3.91Å; A408-L465 HydrophobicContact CB-CD2 4.42Å; A408-L465 WeakPolarHBondContact O-CD2 3.19Å |
| 409 | P | 88.1 | Confident | 89.2 | Confident | 98 Ų | 98 | 50.7 Ų | 50.7 | 64% | 0.636 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 149.5 | 178.7 | 29.4 | -35.3 | 0 | 0 | 0 | 111.7 | G411 A412 | P409-G411 PolarHBondContact O-N 2.83Å; P409-A412 WeakPolarHBondContact O-CB 3.23Å; P409-A412 PolarHBondContact O-N 2.9Å |
| 410 | V | 88.3 | Confident | 88.7 | Confident | 86 Ų | 86 | 50.2 Ų | 50.2 | 52% | 0.521 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 129.1 | 168.5 | 174 | 0 | 0 | 0 | 0 | 110 | L466 | V410-L466 VanDerWaalsContact CG1-O 3.27Å; V410-L466 WeakPolarHBondContact CG1-O 3.27Å |
| 411 | G | 86.9 | Confident | 88.3 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 55% | 0.546 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97 | -6.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P409 L465 | P409-G411 PolarHBondContact O-N 2.83Å; G411-L465 PolarHBondContact N-O 3.31Å |
| 412 | A | 88.7 | Confident | 88 | Confident | 24 Ų | 24 | 53 Ų | 53 | 20% | 0.198 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 148.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | I404 A408 P409 T464 L465 | I404-A412 HydrophobicContact CD1-CB 4.18Å; A408-A412 HydrophobicContact CB-CB 3.91Å; P409-A412 WeakPolarHBondContact O-CB 3.23Å; P409-A412 PolarHBondContact O-N 2.9Å; A412-T464 CarbonylContact O-C 3.51Å; A412-T464 WeakPolarHBondContact O-CA 3.17Å; A412-L465 PolarHBondContact O-N 2.82Å |
| 413 | T | 91.1 | Very high | 87.9 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 46% | 0.46 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -93.8 | 141.5 | 174.5 | 38.2 | 0 | 0 | 0 | 0 | 110.9 | L463 T464 | T413-L463 WeakPolarHBondContact CA-O 3.44Å; T413-T464 HydrophobicContact CG2-CG2 3.52Å |
| 414 | I | 92 | Very high | 87.8 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 136.9 | 173.7 | -53 | -58.2 | 0 | 0 | 0 | 109.4 | I404 P423 L424 F452 L463 I497 | I404-I414 HydrophobicContact CB-CD1 4.02Å; I404-I414 HydrophobicContact CD1-CD1 3.71Å; I404-I414 HydrophobicContact CG1-CD1 4.47Å; I404-I414 HydrophobicContact CG2-CD1 4.11Å; I414-P423 CarbonylContact O-C 3.55Å; I414-P423 WeakPolarHBondContact O-CA 3.28Å; I414-L424 HydrophobicContact CB-CB 4.44Å; I414-L424 HydrophobicContact CG2-CB 4.35Å; I414-L424 HydrophobicContact CG2-CD2 4.06Å; I414-L424 WeakPolarHBondContact O-CB 3.14Å; I414-L424 PolarHBondContact O-N 3.02Å; I414-F452 HydrophobicContact CD1-CD1 4.03Å; I414-F452 HydrophobicContact CD1-CE1 3.83Å; I414-L463 HydrophobicContact CB-CB 4.16Å; I414-L463 HydrophobicContact CG1-CB 3.62Å; I414-L463 PolarHBondContact N-O 2.95Å; I414-I497 HydrophobicContact CD1-CD1 3.96Å; I414-I497 HydrophobicContact CD1-CG2 4.21Å; I414-I497 HydrophobicContact CG1-CD1 3.95Å; I414-I497 HydrophobicContact CG2-CD1 4.36Å; I414-I497 HydrophobicContact CG2-CG1 4.31Å; I414-I497 HydrophobicContact CG2-CG2 4.33Å |
| 415 | S | 91.4 | Very high | 87.7 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 4% | 0.035 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -95.3 | 144.2 | 176.9 | -172.4 | 0 | 0 | 0 | 0 | 113 | G402 Y403 S417 L420 T422 | G402-S415 CarbonylContact C-O 3.56Å; G402-S415 VanDerWaalsContact CA-O 3.27Å; G402-S415 WeakPolarHBondContact CA-O 3.24Å; Y403-S415 PolarHBondContact N-O 2.79Å; Y403-S415 PolarHBondContact O-N 3.01Å; S415-S417 PolarHBondContact O-N 3.49Å; S415-S417 PolarHBondContact OG-N 2.83Å; S415-S417 VanDerWaalsContact OG-N 3.08Å; S415-S417 PolarHBondContact OG-O 3.16Å; S415-S417 PolarHBondContact OG-OG 3.21Å; S415-L420 WeakPolarHBondContact OG-CA 3.19Å; S415-T422 CarbonylContact C-O 3.56Å; S415-T422 WeakPolarHBondContact CA-O 3.47Å; S415-T422 WeakPolarHBondContact CB-O 3.33Å; S415-T422 PolarHBondContact OG-O 2.59Å |
| 416 | E | 88.5 | Confident | 87.7 | Confident | 86 Ų | 86 | 56 Ų | 56 | 40% | 0.402 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -71 | -15.4 | 167.5 | -171.3 | 176.6 | -150.5 | 0 | 0 | 112.6 | T422 L424 R425 | E416-T422 PolarHBondContact N-O 2.97Å; E416-L424 HydrophobicContact CB-CD1 4.3Å; E416-L424 HydrophobicContact CG-CD1 4.39Å; E416-R425 IonicContact OE2-CZ 3.47Å; E416-R425 IonicContact OE2-NE 2.82Å; E416-R425 IonicContact OE2-NH2 3.83Å; E416-R425 PolarHBondContact OE2-NH2 3.46Å |
| 417 | S | 85.5 | Confident | 87.8 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -123.4 | 140.6 | -169.1 | 69.5 | 0 | 0 | 0 | 0 | 112.3 | S415 N419 L420 T421 | S415-S417 PolarHBondContact O-N 3.49Å; S415-S417 PolarHBondContact OG-N 2.83Å; S415-S417 VanDerWaalsContact OG-N 3.08Å; S415-S417 PolarHBondContact OG-O 3.16Å; S415-S417 PolarHBondContact OG-OG 3.21Å; S417-N419 PolarHBondContact O-N 3.27Å; S417-N419 VanDerWaalsContact O-N 3.16Å; S417-L420 PolarHBondContact O-N 3.31Å; S417-L420 PolarHBondContact OG-N 2.8Å; S417-T421 PolarHBondContact OG-N 3.14Å; S417-T421 PolarHBondContact OG-OG1 3.1Å; S417-T421 VanDerWaalsContact OG-OG1 3.14Å |
| 418 | L | 83 | Confident | 87.7 | Confident | 102 Ų | 102 | 53.1 Ų | 53.1 | 53% | 0.534 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.4 | 172.3 | -74.3 | 86.2 | 0 | 0 | 0 | 112.7 | Y403 L420 M500 | Y403-L418 HydrophobicContact CD1-CD1 4.4Å; Y403-L418 HydrophobicContact CD1-CG 3.96Å; Y403-L418 HydrophobicContact CD2-CD1 4.4Å; Y403-L418 HydrophobicContact CE1-CD1 3.77Å; Y403-L418 HydrophobicContact CE1-CD2 4.46Å; Y403-L418 HydrophobicContact CE1-CG 3.7Å; Y403-L418 HydrophobicContact CE2-CD1 3.77Å; Y403-L418 HydrophobicContact CE2-CG 4.3Å; Y403-L418 HydrophobicContact CG-CG 4.37Å; Y403-L418 VanDerWaalsContact CZ-CD1 3.41Å; L418-L420 PolarHBondContact O-N 2.81Å; L418-M500 WeakPolarHBondContact O-CE 3.14Å |
| 419 | N | 82 | Confident | 87.8 | Confident | 138 Ų | 138 | 53.3 Ų | 53.3 | 74% | 0.738 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 5.1 | 177.2 | -62.5 | -4.3 | 0 | 0 | 0 | 113 | S417 T421 | S417-N419 PolarHBondContact O-N 3.27Å; S417-N419 VanDerWaalsContact O-N 3.16Å; N419-T421 HydrophobicContact CB-CG2 3.88Å; N419-T421 VanDerWaalsContact O-CG2 3.3Å; N419-T421 WeakPolarHBondContact O-CG2 3.42Å; N419-T421 PolarHBondContact O-N 2.94Å; N419-T421 VanDerWaalsContact O-N 3.1Å |
| 420 | L | 82.8 | Confident | 87.5 | Confident | 65 Ų | 65 | 49 Ų | 49 | 34% | 0.34 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 53.9 | 28.1 | 180 | -53.6 | -179.4 | 0 | 0 | 0 | 115 | L405 S415 S417 L418 M500 | L405-L420 HydrophobicContact CB-CD1 4.34Å; L405-L420 HydrophobicContact CD1-CD1 3.54Å; L405-L420 HydrophobicContact CG-CD1 3.71Å; S415-L420 WeakPolarHBondContact OG-CA 3.19Å; S417-L420 PolarHBondContact O-N 3.31Å; S417-L420 PolarHBondContact OG-N 2.8Å; L418-L420 PolarHBondContact O-N 2.81Å; L420-M500 HydrophobicContact CD2-SD 4.04Å; L420-M500 HydrophobicContact CG-SD 4.36Å |
| 421 | T | 82.7 | Confident | 87.2 | Confident | 102 Ų | 102 | 51 Ų | 51 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | trans | -90.6 | -26.4 | -171.9 | 58.3 | 0 | 0 | 0 | 0 | 115.8 | S417 N419 | S417-T421 PolarHBondContact OG-N 3.14Å; S417-T421 PolarHBondContact OG-OG1 3.1Å; S417-T421 VanDerWaalsContact OG-OG1 3.14Å; N419-T421 HydrophobicContact CB-CG2 3.88Å; N419-T421 VanDerWaalsContact O-CG2 3.3Å; N419-T421 WeakPolarHBondContact O-CG2 3.42Å; N419-T421 PolarHBondContact O-N 2.94Å; N419-T421 VanDerWaalsContact O-N 3.1Å | ||
| 422 | T | 85.8 | Confident | 86.5 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 29% | 0.288 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -128.3 | 131.1 | -177.3 | 51.3 | 0 | 0 | 0 | 0 | 110.8 | S415 E416 | S415-T422 CarbonylContact C-O 3.56Å; S415-T422 WeakPolarHBondContact CA-O 3.47Å; S415-T422 WeakPolarHBondContact CB-O 3.33Å; S415-T422 PolarHBondContact OG-O 2.59Å; E416-T422 PolarHBondContact N-O 2.97Å |
| 423 | P | 88.4 | Confident | 85.7 | Confident | 48 Ų | 48 | 51.5 Ų | 51.5 | 31% | 0.312 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 144.9 | 176.6 | 30.6 | -35.6 | 0 | 0 | 0 | 110.6 | I414 R425 Y462 | I414-P423 CarbonylContact O-C 3.55Å; I414-P423 WeakPolarHBondContact O-CA 3.28Å; P423-R425 PolarHBondContact O-N 3.34Å; P423-Y462 HydrophobicContact CB-CD1 3.86Å; P423-Y462 HydrophobicContact CB-CE1 4.03Å; P423-Y462 HydrophobicContact CG-CD1 4.18Å; P423-Y462 HydrophobicContact CG-CE1 3.82Å |
| 424 | L | 91.4 | Very high | 84.8 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | trans | -67.7 | 114.8 | 177.2 | -179.8 | 58.1 | 0 | 0 | 0 | 109.9 | Y400 Q401 I414 E416 Y462 L463 | Y400-L424 HydrophobicContact CD1-CD1 4.21Å; Q401-L424 WeakPolarHBondContact O-CD1 3.29Å; I414-L424 HydrophobicContact CB-CB 4.44Å; I414-L424 HydrophobicContact CG2-CB 4.35Å; I414-L424 HydrophobicContact CG2-CD2 4.06Å; I414-L424 WeakPolarHBondContact O-CB 3.14Å; I414-L424 PolarHBondContact O-N 3.02Å; E416-L424 HydrophobicContact CB-CD1 4.3Å; E416-L424 HydrophobicContact CG-CD1 4.39Å; L424-Y462 WeakPolarHBondContact O-CD1 3.46Å; L424-L463 HydrophobicContact CD2-CD1 4.33Å | ||
| 425 | R | 90.6 | Very high | 83.8 | Confident | 111 Ų | 111 | 58.6 Ų | 58.6 | 42% | 0.419 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 117.5 | -178.7 | -72.6 | 169.3 | -77.2 | -121.2 | -8.9 | 110 | Y400 E416 P423 T460 Y462 | Y400-R425 WeakPolarHBondContact CE1-O 3.35Å; E416-R425 IonicContact OE2-CZ 3.47Å; E416-R425 IonicContact OE2-NE 2.82Å; E416-R425 IonicContact OE2-NH2 3.83Å; E416-R425 PolarHBondContact OE2-NH2 3.46Å; P423-R425 PolarHBondContact O-N 3.34Å; R425-T460 HydrophobicContact CB-CG2 3.78Å; R425-T460 HydrophobicContact CG-CG2 3.61Å; R425-Y462 HydrophobicContact CG-CE1 3.72Å |
| 426 | I | 90.9 | Very high | 83 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 122.4 | 172.1 | -59.6 | -179.8 | 0 | 0 | 0 | 107.2 | F395 Y400 L443 R461 L463 I481 | F395-I426 HydrophobicContact CD1-CG2 4.09Å; F395-I426 HydrophobicContact CE1-CG2 3.85Å; Y400-I426 HydrophobicContact CD1-CG1 4.17Å; Y400-I426 HydrophobicContact CD2-CG1 4.39Å; Y400-I426 HydrophobicContact CE1-CB 4.41Å; Y400-I426 HydrophobicContact CE1-CG1 4.17Å; Y400-I426 HydrophobicContact CE2-CG1 4.4Å; Y400-I426 HydrophobicContact CE2-CG2 3.99Å; Y400-I426 HydrophobicContact CG-CG1 4.28Å; I426-L443 HydrophobicContact CG2-CD1 3.93Å; I426-R461 PolarHBondContact N-O 3.08Å; I426-R461 PolarHBondContact O-N 3.11Å; I426-L463 HydrophobicContact CD1-CD1 3.74Å; I426-L463 HydrophobicContact CD1-CG 3.83Å; I426-I481 HydrophobicContact CD1-CD1 3.91Å; I426-I481 HydrophobicContact CG2-CD1 4.47Å |
| 427 | V | 90.5 | Very high | 82.3 | Confident | 27 Ų | 27 | 65.3 Ų | 65.3 | 16% | 0.164 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 116.8 | 177.7 | 179 | 0 | 0 | 0 | 0 | 108.4 | T396 Y400 L429 I459 T460 | T396-V427 HydrophobicContact CG2-CB 4.07Å; T396-V427 HydrophobicContact CG2-CG1 3.72Å; T396-V427 PolarHBondContact N-O 2.94Å; T396-V427 PolarHBondContact OG1-O 2.9Å; T396-V427 VanDerWaalsContact OG1-O 3.08Å; Y400-V427 PolarHBondContact OH-N 3.1Å; Y400-V427 PolarHBondContact OH-O 2.93Å; V427-L429 HydrophobicContact CG1-CG 4.22Å; V427-I459 HydrophobicContact CG1-CG2 4.01Å; V427-T460 HydrophobicContact CG2-CG2 4.17Å |
| 428 | A | 87.4 | Confident | 81.9 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y394 F395 L441 L443 A483 | Y394-A428 VanDerWaalsContact O-CA 3.31Å; Y394-A428 WeakPolarHBondContact O-CA 3.42Å; F395-A428 HydrophobicContact CD1-CB 3.79Å; F395-A428 HydrophobicContact CE1-CB 3.86Å; A428-L441 HydrophobicContact CB-CD1 3.73Å; A428-L443 HydrophobicContact CB-CD2 4.24Å; A428-A483 HydrophobicContact CB-CB 3.93Å |
| 429 | L | 87.6 | Confident | 81.7 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 165.8 | -179.9 | -67.7 | 174.8 | 0 | 0 | 0 | 109.5 | P393 Y394 T396 V427 I459 | P393-L429 CarbonylContact C-O 3.59Å; P393-L429 WeakPolarHBondContact CA-O 3.14Å; Y394-L429 HydrophobicContact CD1-CB 4.31Å; Y394-L429 VanDerWaalsContact CD1-O 3.32Å; Y394-L429 WeakPolarHBondContact CD1-O 3.45Å; Y394-L429 HydrophobicContact CE1-CB 3.66Å; Y394-L429 HydrophobicContact CE2-CB 4.36Å; Y394-L429 PolarHBondContact N-O 2.62Å; Y394-L429 PolarHBondContact O-N 3.19Å; T396-L429 HydrophobicContact CG2-CD1 4.25Å; V427-L429 HydrophobicContact CG1-CG 4.22Å; L429-I459 HydrophobicContact CD2-CG2 3.93Å |
| 430 | D | 82.9 | Confident | 81.7 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 3% | 0.032 | 32% | 0.319 | C | S | . | . | trans | -132 | 147.9 | 173.1 | 175.3 | 1.2 | 0 | 0 | 0 | 105.6 | D432 I433 P439 L441 | D430-D432 WeakPolarHBondContact OD1-CB 3.27Å; D430-D432 PolarHBondContact OD1-N 2.87Å; D430-I433 VanDerWaalsContact O-O 3.13Å; D430-P439 HydrophobicContact CB-CB 3.72Å; D430-P439 HydrophobicContact CB-CG 4.02Å; D430-L441 HydrophobicContact CB-CD2 4.45Å | ||
| 431 | K | 80.2 | Confident | 81.8 | Confident | 130 Ų | 130 | 59.5 Ų | 59.5 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -93.7 | -17.6 | 177.6 | -60 | -175.4 | -155.2 | 150 | 0 | 113.3 | Q391 Y394 I433 | Q391-K431 HydrophobicContact CB-CB 3.89Å; Q391-K431 HydrophobicContact CB-CD 4.43Å; Q391-K431 HydrophobicContact CB-CG 4.41Å; Q391-K431 HydrophobicContact CG-CB 3.95Å; Q391-K431 HydrophobicContact CG-CD 4.23Å; Y394-K431 HydrophobicContact CE1-CG 4.09Å; K431-I433 PolarHBondContact O-N 3.45Å |
| 432 | D | 72.6 | Confident | 81.9 | Confident | 23 Ų | 23 | 60 Ų | 60 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -67.9 | -11.5 | 175.9 | -57.7 | -28.1 | 0 | 0 | 0 | 110.5 | N389 N390 Q391 D430 | N389-D432 VanDerWaalsContact C-OD2 3.28Å; N389-D432 WeakPolarHBondContact CA-OD2 3.31Å; N389-D432 VanDerWaalsContact CG-OD2 3.25Å; N389-D432 PolarHBondContact ND2-OD2 2.89Å; N390-D432 PolarHBondContact N-OD2 3.3Å; Q391-D432 VanDerWaalsContact CB-OD1 3.28Å; Q391-D432 WeakPolarHBondContact CB-OD1 3.1Å; Q391-D432 WeakPolarHBondContact CG-OD1 3.2Å; Q391-D432 PolarHBondContact N-OD1 2.82Å; Q391-D432 PolarHBondContact N-OD2 3.31Å; D430-D432 WeakPolarHBondContact OD1-CB 3.27Å; D430-D432 PolarHBondContact OD1-N 2.87Å |
| 433 | I | 72.8 | Confident | 82.1 | Confident | 64 Ų | 64 | 58.7 Ų | 58.7 | 33% | 0.328 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -120.2 | 143.1 | 170.4 | -71.8 | 172.9 | 0 | 0 | 0 | 109.6 | D430 K431 D435 K437 P439 | D430-I433 VanDerWaalsContact O-O 3.13Å; K431-I433 PolarHBondContact O-N 3.45Å; I433-D435 PolarHBondContact O-N 3.14Å; I433-K437 HydrophobicContact CG2-CB 3.69Å; I433-K437 HydrophobicContact CG2-CD 4.26Å; I433-P439 HydrophobicContact CB-CB 4.39Å; I433-P439 HydrophobicContact CD1-CB 3.97Å |
| 434 | E | 70.7 | Confident | 82 | Confident | 123 Ų | 123 | 61.5 Ų | 61.5 | 58% | 0.575 | 30% | 0.296 | S | S | * | . | trans | -56.1 | 127.6 | 174.5 | -62.9 | 173.8 | 126.1 | 0 | 0 | 111.5 | T436 K437 | E434-T436 PolarHBondContact O-N 2.85Å; E434-K437 HydrophobicContact CB-CD 4.48Å; E434-K437 PolarHBondContact O-N 2.88Å; E434-K437 WeakPolarHBondContact OE2-CE 3.35Å; E434-K437 IonicContact OE2-NZ 3.96Å; E434-K437 PolarHBondContact OE2-NZ 3.46Å | ||
| 435 | D | 71.9 | Confident | 81.9 | Confident | 102 Ų | 102 | 62.2 Ų | 62.2 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | -13.6 | -178.7 | -71.4 | -51.2 | 0 | 0 | 0 | 116.7 | I433 | I433-D435 PolarHBondContact O-N 3.14Š|
| 436 | T | 74.5 | Confident | 81.7 | Confident | 118 Ų | 118 | 61.9 Ų | 61.9 | 72% | 0.724 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -9.8 | -179.7 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | E434 | E434-T436 PolarHBondContact O-N 2.85Š|
| 437 | K | 73.1 | Confident | 81.4 | Confident | 114 Ų | 114 | 65.9 Ų | 65.9 | 50% | 0.496 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -102.5 | 157.9 | 176.8 | -69.7 | 163.7 | 177.6 | 162.6 | 0 | 109.8 | I433 E434 P439 | I433-K437 HydrophobicContact CG2-CB 3.69Å; I433-K437 HydrophobicContact CG2-CD 4.26Å; E434-K437 HydrophobicContact CB-CD 4.48Å; E434-K437 PolarHBondContact O-N 2.88Å; E434-K437 WeakPolarHBondContact OE2-CE 3.35Å; E434-K437 IonicContact OE2-NZ 3.96Å; E434-K437 PolarHBondContact OE2-NZ 3.46Å; K437-P439 WeakPolarHBondContact O-CD 3.31Å |
| 438 | D | 78.1 | Confident | 81.3 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 23% | 0.225 | 33% | 0.331 | C | S | . | . | trans | -80.2 | 122.3 | 168.2 | -172.7 | 8.1 | 0 | 0 | 0 | 108.2 | E440 G458 I459 R461 | D438-E440 PolarHBondContact O-N 3Å; D438-E440 VanDerWaalsContact O-N 3.11Å; D438-E440 PolarHBondContact OD1-N 2.81Å; D438-G458 WeakPolarHBondContact OD2-CA 3.11Å; D438-G458 PolarHBondContact OD2-N 3.36Å; D438-I459 HydrophobicContact CB-CG1 3.92Å; D438-R461 IonicContact OD1-CZ 2.84Å; D438-R461 IonicContact OD1-NH1 3.11Å; D438-R461 IonicContact OD1-NH2 2.81Å; D438-R461 PolarHBondContact OD1-NH2 3.03Å; D438-R461 VanDerWaalsContact OD1-NH2 3.17Å | ||
| 439 | P | 79 | Confident | 81.1 | Confident | 11 Ų | 11 | 71.5 Ų | 71.5 | 7% | 0.071 | 36% | 0.357 | C | S | . | . | trans | -76.4 | 16.8 | 175.4 | 21.9 | -19.2 | 0 | 0 | 0 | 113.6 | D430 I433 K437 L441 | D430-P439 HydrophobicContact CB-CB 3.72Å; D430-P439 HydrophobicContact CB-CG 4.02Å; I433-P439 HydrophobicContact CB-CB 4.39Å; I433-P439 HydrophobicContact CD1-CB 3.97Å; K437-P439 WeakPolarHBondContact O-CD 3.31Å; P439-L441 HydrophobicContact CB-CD2 4.14Å; P439-L441 HydrophobicContact CB-CG 4.01Å; P439-L441 HydrophobicContact CG-CD1 3.91Å; P439-L441 HydrophobicContact CG-CD2 4.41Å; P439-L441 HydrophobicContact CG-CG 3.85Å; P439-L441 PolarHBondContact O-N 3.47Å | ||
| 440 | E | 80.9 | Confident | 81.1 | Confident | 154 Ų | 154 | 73.6 Ų | 73.6 | 72% | 0.72 | 37% | 0.373 | S | S | * | . | trans | 52.4 | 12.5 | 177.2 | -56.5 | -158.7 | 147.7 | 0 | 0 | 116.3 | D438 | D438-E440 PolarHBondContact O-N 3Å; D438-E440 VanDerWaalsContact O-N 3.11Å; D438-E440 PolarHBondContact OD1-N 2.81Å | ||
| 441 | L | 85.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | trans | -44.2 | 133.1 | -176.9 | -54.3 | 174.7 | 0 | 0 | 0 | 114.2 | P393 A428 D430 P439 R461 A483 F484 D485 | P393-L441 HydrophobicContact CB-CD1 4.03Å; P393-L441 HydrophobicContact CB-CD2 3.99Å; P393-L441 HydrophobicContact CG-CD2 3.74Å; A428-L441 HydrophobicContact CB-CD1 3.73Å; D430-L441 HydrophobicContact CB-CD2 4.45Å; P439-L441 HydrophobicContact CB-CD2 4.14Å; P439-L441 HydrophobicContact CB-CG 4.01Å; P439-L441 HydrophobicContact CG-CD1 3.91Å; P439-L441 HydrophobicContact CG-CD2 4.41Å; P439-L441 HydrophobicContact CG-CG 3.85Å; P439-L441 PolarHBondContact O-N 3.47Å; L441-R461 PolarHBondContact O-NE 3.04Å; L441-R461 PolarHBondContact O-NH2 2.95Å; L441-A483 HydrophobicContact CD1-CB 4.29Å; L441-F484 WeakPolarHBondContact CA-O 3.22Å; L441-D485 HydrophobicContact CD2-CB 3.62Å | ||
| 442 | H | 86.1 | Confident | 81.9 | Confident | 111 Ų | 111 | 67.8 Ų | 67.8 | 51% | 0.514 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 125.3 | 166.2 | -69.3 | -55.1 | 0 | 0 | 0 | 110 | F444 F484 | H442-F444 HydrophobicContact CB-CE2 4.21Å; H442-F444 HydrophobicContact CB-CZ 4.33Å; H442-F484 PolarHBondContact N-O 3.29Å; H442-F484 PolarHBondContact O-N 2.91Å |
| 443 | L | 88.5 | Confident | 82.8 | Confident | 21 Ų | 21 | 69.3 Ų | 69.3 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 127.4 | 172.1 | -64.5 | -167.5 | 0 | 0 | 0 | 110.5 | F395 I426 A428 V454 R461 I481 T482 A483 | F395-L443 HydrophobicContact CE1-CD1 4.47Å; F395-L443 HydrophobicContact CE1-CD2 3.97Å; F395-L443 HydrophobicContact CZ-CD2 4Å; I426-L443 HydrophobicContact CG2-CD1 3.93Å; A428-L443 HydrophobicContact CB-CD2 4.24Å; L443-V454 HydrophobicContact CB-CG1 3.81Å; L443-V454 HydrophobicContact CD1-CG2 3.92Å; L443-R461 HydrophobicContact CD1-CB 4.19Å; L443-R461 VanDerWaalsContact CD1-CD 3.42Å; L443-R461 HydrophobicContact CD1-CG 4.39Å; L443-I481 HydrophobicContact CB-CD1 4.26Å; L443-I481 HydrophobicContact CB-CG1 4.38Å; L443-I481 HydrophobicContact CD1-CD1 3.87Å; L443-T482 CarbonylContact C-O 3.54Å; L443-T482 VanDerWaalsContact CA-O 3.32Å; L443-T482 WeakPolarHBondContact CA-O 3.17Å; L443-A483 HydrophobicContact CD2-CB 3.38Å |
| 444 | F | 86.2 | Confident | 83.7 | Confident | 106 Ų | 106 | 67 Ų | 67 | 47% | 0.465 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 137.5 | 174.6 | -63.3 | -75.4 | 0 | 0 | 0 | 110.7 | H442 I481 T482 F484 | H442-F444 HydrophobicContact CB-CE2 4.21Å; H442-F444 HydrophobicContact CB-CZ 4.33Å; F444-I481 WeakPolarHBondContact O-CA 3.48Å; F444-I481 WeakPolarHBondContact O-CG1 3.47Å; F444-T482 PolarHBondContact N-O 2.92Å; F444-T482 PolarHBondContact O-N 2.92Å; F444-F484 HydrophobicContact CD2-CB 4.17Å; F444-F484 HydrophobicContact CE2-CB 3.79Å; F444-F484 AromaticContact CE2-CD1 3.96Å; F444-F484 HydrophobicContact CE2-CD1 3.96Å; F444-F484 HydrophobicContact CE2-CG 4.14Å |
| 445 | L | 90.5 | Very high | 84.5 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 11% | 0.105 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.7 | 168.9 | -69.6 | 69.2 | 0 | 0 | 0 | 107.2 | D447 T449 F452 V454 L463 F479 I481 | L445-D447 VanDerWaalsContact C-N 3.34Å; L445-T449 HydrophobicContact CB-CG2 3.88Å; L445-T449 WeakPolarHBondContact O-CG2 3.4Å; L445-F452 HydrophobicContact CD2-CB 4.05Å; L445-V454 HydrophobicContact CD1-CB 4.19Å; L445-V454 HydrophobicContact CD1-CG1 3.76Å; L445-L463 HydrophobicContact CD2-CD2 4.04Å; L445-F479 HydrophobicContact CB-CD2 4.27Å; L445-F479 HydrophobicContact CB-CE2 4.43Å; L445-F479 HydrophobicContact CD2-CD2 4.09Å; L445-F479 HydrophobicContact CD2-CE2 3.51Å; L445-F479 HydrophobicContact CD2-CZ 3.88Å; L445-F479 HydrophobicContact CG-CD2 4.05Å; L445-F479 HydrophobicContact CG-CE2 3.73Å; L445-I481 HydrophobicContact CD1-CD1 4.36Å |
| 446 | N | 86 | Confident | 84.9 | Confident | 104 Ų | 104 | 62.6 Ų | 62.6 | 56% | 0.556 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -76.2 | -20.8 | -177 | 78.7 | -33.4 | 0 | 0 | 0 | 114 | F479 L480 | N446-F479 WeakPolarHBondContact OD1-CB 3.48Å; N446-L480 HydrophobicContact CB-CB 4.34Å; N446-L480 PolarHBondContact N-O 3.03Å; N446-L480 PolarHBondContact OD1-N 2.89Å; N446-L480 PolarHBondContact OD1-O 2.86Å |
| 447 | D | 84.4 | Confident | 85.3 | Confident | 84 Ų | 84 | 61.8 Ų | 61.8 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -148.7 | 170.3 | -179 | -154.2 | -14.5 | 0 | 0 | 0 | 110 | L445 T449 F479 | L445-D447 VanDerWaalsContact C-N 3.34Å; D447-T449 PolarHBondContact O-N 3.02Å; D447-T449 VanDerWaalsContact O-N 3.1Å; D447-F479 HydrophobicContact CB-CB 4.31Å |
| 448 | Y | 87.9 | Confident | 85.7 | Confident | 56 Ų | 56 | 57.7 Ų | 57.7 | 22% | 0.22 | 32% | 0.32 | C | S | . | . | trans | 55.4 | 23.9 | 179.2 | -55.2 | -68.8 | 0 | 0 | 0 | 115.7 | S450 V451 F452 Q474 Y477 F479 | Y448-S450 PolarHBondContact O-N 3.28Å; Y448-S450 VanDerWaalsContact O-N 3.11Å; Y448-V451 HydrophobicContact CD1-CG2 4.45Å; Y448-V451 PolarHBondContact O-N 2.79Å; Y448-F452 PolarHBondContact O-N 3.1Å; Y448-Q474 PolarHBondContact OH-NE2 3.32Å; Y448-Y477 AromaticContact CD1-CD1 3.52Å; Y448-Y477 HydrophobicContact CD1-CD1 3.52Å; Y448-Y477 AromaticContact CD1-CE1 3.87Å; Y448-Y477 HydrophobicContact CD1-CE1 3.87Å; Y448-Y477 HydrophobicContact CD2-CD1 4.11Å; Y448-Y477 AromaticContact CE1-CD1 3.56Å; Y448-Y477 HydrophobicContact CE1-CD1 3.56Å; Y448-Y477 AromaticContact CE1-CE1 3.87Å; Y448-Y477 HydrophobicContact CE1-CE1 3.87Å; Y448-Y477 HydrophobicContact CE2-CD1 4.14Å; Y448-Y477 AromaticContact CG-CD1 3.82Å; Y448-Y477 HydrophobicContact CG-CD1 3.82Å; Y448-Y477 AromaticContact CZ-CD1 3.88Å; Y448-F479 HydrophobicContact CD2-CB 4.24Å; Y448-F479 HydrophobicContact CD2-CD1 4.06Å | ||
| 449 | T | 85 | Confident | 86 | Confident | 91 Ų | 91 | 58.2 Ų | 58.2 | 56% | 0.558 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -12.4 | 176.1 | 48.3 | 0 | 0 | 0 | 0 | 114.6 | L445 D447 L466 | L445-T449 HydrophobicContact CB-CG2 3.88Å; L445-T449 WeakPolarHBondContact O-CG2 3.4Å; D447-T449 PolarHBondContact O-N 3.02Å; D447-T449 VanDerWaalsContact O-N 3.1Å; T449-L466 WeakPolarHBondContact O-CD1 3.15Å |
| 450 | S | 86.3 | Confident | 86.4 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -23.5 | 168.4 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | Y448 L466 Q467 | Y448-S450 PolarHBondContact O-N 3.28Å; Y448-S450 VanDerWaalsContact O-N 3.11Å; S450-L466 WeakPolarHBondContact O-CB 3.39Å; S450-Q467 VanDerWaalsContact O-CG 3.25Å; S450-Q467 WeakPolarHBondContact O-CG 3.22Å; S450-Q467 PolarHBondContact O-OE1 2.81Å |
| 451 | V | 88.7 | Confident | 86.8 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -38.3 | -173.2 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | Y448 L465 L466 V469 | Y448-V451 HydrophobicContact CD1-CG2 4.45Å; Y448-V451 PolarHBondContact O-N 2.79Å; V451-L465 HydrophobicContact CG1-CD1 4.34Å; V451-L466 PolarHBondContact O-N 3.49Å; V451-V469 HydrophobicContact CG1-CG1 3.4Å; V451-V469 VanDerWaalsContact CG1-CG1 3.4Å |
| 452 | F | 92.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 149.1 | -179.5 | -52.6 | -70.8 | 0 | 0 | 0 | 112.1 | I414 L445 Y448 T464 L465 V469 Y477 F479 I497 | I414-F452 HydrophobicContact CD1-CD1 4.03Å; I414-F452 HydrophobicContact CD1-CE1 3.83Å; L445-F452 HydrophobicContact CD2-CB 4.05Å; Y448-F452 PolarHBondContact O-N 3.1Å; F452-T464 WeakPolarHBondContact CA-O 3.1Å; F452-L465 HydrophobicContact CD1-CD1 4.16Å; F452-L465 HydrophobicContact CE1-CD1 3.79Å; F452-V469 HydrophobicContact CZ-CG1 4.37Å; F452-Y477 AromaticContact CE2-CD1 3.97Å; F452-Y477 HydrophobicContact CE2-CD1 3.97Å; F452-Y477 AromaticContact CE2-CD2 3.92Å; F452-Y477 HydrophobicContact CE2-CD2 3.92Å; F452-Y477 AromaticContact CE2-CG 3.6Å; F452-Y477 HydrophobicContact CE2-CG 3.6Å; F452-Y477 HydrophobicContact CZ-CD1 4.5Å; F452-Y477 AromaticContact CZ-CD2 3.68Å; F452-Y477 HydrophobicContact CZ-CD2 3.68Å; F452-Y477 HydrophobicContact CZ-CE2 4.15Å; F452-Y477 AromaticContact CZ-CG 3.88Å; F452-Y477 HydrophobicContact CZ-CG 3.88Å; F452-F479 AromaticContact CD2-CE1 3.8Å; F452-F479 HydrophobicContact CD2-CE1 3.8Å; F452-F479 HydrophobicContact CD2-CZ 4.33Å; F452-F479 HydrophobicContact CE2-CE1 4.2Å; F452-F479 HydrophobicContact CG-CE1 4.5Å; F452-I497 HydrophobicContact CD1-CD1 3.86Å; F452-I497 HydrophobicContact CD2-CD1 4.1Å; F452-I497 HydrophobicContact CE1-CD1 3.68Å; F452-I497 HydrophobicContact CE2-CD1 3.94Å; F452-I497 HydrophobicContact CG-CD1 4.07Å; F452-I497 HydrophobicContact CZ-CD1 3.73Å; F452-I497 HydrophobicContact CZ-CG2 4.4Å |
| 453 | T | 91.2 | Very high | 87.3 | Confident | 55 Ų | 55 | 51.3 Ų | 51.3 | 34% | 0.337 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 165.7 | 168.2 | -167.3 | 0 | 0 | 0 | 0 | 110.4 | L463 T464 L466 | T453-L463 CarbonylContact O-C 3.53Å; T453-L463 WeakPolarHBondContact O-CA 3.45Å; T453-T464 WeakPolarHBondContact CG2-OG1 3.32Å; T453-T464 PolarHBondContact N-O 3.02Å; T453-T464 PolarHBondContact O-N 2.87Å; T453-L466 HydrophobicContact CG2-CD1 4.39Å; T453-L466 HydrophobicContact CG2-CD2 3.8Å; T453-L466 HydrophobicContact CG2-CG 3.87Å |
| 454 | V | 90.8 | Very high | 87.4 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 140.5 | -177.1 | 65.8 | 0 | 0 | 0 | 0 | 110.2 | L443 L445 R461 Y462 L463 | L443-V454 HydrophobicContact CB-CG1 3.81Å; L443-V454 HydrophobicContact CD1-CG2 3.92Å; L445-V454 HydrophobicContact CD1-CB 4.19Å; L445-V454 HydrophobicContact CD1-CG1 3.76Å; V454-R461 HydrophobicContact CG2-CB 4.06Å; V454-Y462 WeakPolarHBondContact CA-O 3.24Å; V454-L463 HydrophobicContact CB-CD2 4.02Å; V454-L463 HydrophobicContact CG2-CD2 4.39Å |
| 455 | T | 87.3 | Confident | 87.7 | Confident | 42 Ų | 42 | 46.8 Ų | 46.8 | 26% | 0.258 | 27% | 0.272 | S | S | . | . | trans | -61.8 | 125.6 | 179 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | T457 R461 Y462 | T455-T457 PolarHBondContact O-N 3.11Å; T455-R461 WeakPolarHBondContact O-CD 3.33Å; T455-R461 WeakPolarHBondContact O-CG 3.39Å; T455-R461 WeakPolarHBondContact OG1-CA 3.31Å; T455-R461 WeakPolarHBondContact OG1-CB 3.21Å; T455-Y462 HydrophobicContact CG2-CD2 4.46Å; T455-Y462 PolarHBondContact N-O 2.94Å; T455-Y462 PolarHBondContact OG1-N 2.97Å | ||
| 456 | P | 81.9 | Confident | 87.6 | Confident | 90 Ų | 90 | 49.6 Ų | 49.6 | 58% | 0.584 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -73.9 | -29.7 | -168.4 | 27.4 | -35.2 | 0 | 0 | 0 | 113.9 | R461 | P456-R461 PolarHBondContact O-NE 2.85Š|
| 457 | T | 81.9 | Confident | 87.7 | Confident | 100 Ų | 100 | 49.1 Ų | 49.1 | 61% | 0.613 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -120.3 | 157.3 | -175.7 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | T455 | T455-T457 PolarHBondContact O-N 3.11Š|
| 458 | G | 80.7 | Confident | 87.9 | Confident | 28 Ų | 28 | 49.9 Ų | 49.9 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 100.6 | 135.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D438 T460 R461 | D438-G458 WeakPolarHBondContact OD2-CA 3.11Å; D438-G458 PolarHBondContact OD2-N 3.36Å; G458-T460 CarbonylContact O-C 3.51Å; G458-T460 PolarHBondContact O-N 3.1Å; G458-T460 VanDerWaalsContact O-N 3.08Å; G458-R461 WeakPolarHBondContact O-CG 3.44Å; G458-R461 PolarHBondContact O-NH1 3.49Å |
| 459 | I | 84.6 | Confident | 88 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 28% | 0.277 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -47.9 | -40.1 | 174.8 | -62.4 | 167.7 | 0 | 0 | 0 | 111.7 | V427 L429 D438 | V427-I459 HydrophobicContact CG1-CG2 4.01Å; L429-I459 HydrophobicContact CD2-CG2 3.93Å; D438-I459 HydrophobicContact CB-CG1 3.92Å |
| 460 | T | 88.2 | Confident | 88.2 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 32% | 0.319 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 111 | 172.6 | -53.4 | 0 | 0 | 0 | 0 | 110.4 | R425 V427 G458 Y462 | R425-T460 HydrophobicContact CB-CG2 3.78Å; R425-T460 HydrophobicContact CG-CG2 3.61Å; V427-T460 HydrophobicContact CG2-CG2 4.17Å; G458-T460 CarbonylContact O-C 3.51Å; G458-T460 PolarHBondContact O-N 3.1Å; G458-T460 VanDerWaalsContact O-N 3.08Å; T460-Y462 HydrophobicContact CG2-CE1 4.19Å; T460-Y462 HydrophobicContact CG2-CE2 4.26Å |
| 461 | R | 88.9 | Confident | 88.4 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 155.5 | 179.2 | -59.3 | 176.2 | 173.7 | 71.3 | -6.7 | 110.7 | I426 D438 L441 L443 V454 T455 P456 G458 | I426-R461 PolarHBondContact N-O 3.08Å; I426-R461 PolarHBondContact O-N 3.11Å; D438-R461 IonicContact OD1-CZ 2.84Å; D438-R461 IonicContact OD1-NH1 3.11Å; D438-R461 IonicContact OD1-NH2 2.81Å; D438-R461 PolarHBondContact OD1-NH2 3.03Å; D438-R461 VanDerWaalsContact OD1-NH2 3.17Å; L441-R461 PolarHBondContact O-NE 3.04Å; L441-R461 PolarHBondContact O-NH2 2.95Å; L443-R461 HydrophobicContact CD1-CB 4.19Å; L443-R461 VanDerWaalsContact CD1-CD 3.42Å; L443-R461 HydrophobicContact CD1-CG 4.39Å; V454-R461 HydrophobicContact CG2-CB 4.06Å; T455-R461 WeakPolarHBondContact O-CD 3.33Å; T455-R461 WeakPolarHBondContact O-CG 3.39Å; T455-R461 WeakPolarHBondContact OG1-CA 3.31Å; T455-R461 WeakPolarHBondContact OG1-CB 3.21Å; P456-R461 PolarHBondContact O-NE 2.85Å; G458-R461 WeakPolarHBondContact O-CG 3.44Å; G458-R461 PolarHBondContact O-NH1 3.49Å |
| 462 | Y | 91.4 | Very high | 88.3 | Confident | 77 Ų | 77 | 46.3 Ų | 46.3 | 30% | 0.302 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 144.7 | -175.8 | -56.8 | -83.1 | 0 | 0 | 0 | 111.1 | P423 L424 R425 V454 T455 T460 | P423-Y462 HydrophobicContact CB-CD1 3.86Å; P423-Y462 HydrophobicContact CB-CE1 4.03Å; P423-Y462 HydrophobicContact CG-CD1 4.18Å; P423-Y462 HydrophobicContact CG-CE1 3.82Å; L424-Y462 WeakPolarHBondContact O-CD1 3.46Å; R425-Y462 HydrophobicContact CG-CE1 3.72Å; V454-Y462 WeakPolarHBondContact CA-O 3.24Å; T455-Y462 HydrophobicContact CG2-CD2 4.46Å; T455-Y462 PolarHBondContact N-O 2.94Å; T455-Y462 PolarHBondContact OG1-N 2.97Å; T460-Y462 HydrophobicContact CG2-CE1 4.19Å; T460-Y462 HydrophobicContact CG2-CE2 4.26Å |
| 463 | L | 91.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 135.9 | 170.8 | -74.1 | 165.1 | 0 | 0 | 0 | 111.1 | T413 I414 L424 I426 L445 T453 V454 F479 V495 I497 | T413-L463 WeakPolarHBondContact CA-O 3.44Å; I414-L463 HydrophobicContact CB-CB 4.16Å; I414-L463 HydrophobicContact CG1-CB 3.62Å; I414-L463 PolarHBondContact N-O 2.95Å; L424-L463 HydrophobicContact CD2-CD1 4.33Å; I426-L463 HydrophobicContact CD1-CD1 3.74Å; I426-L463 HydrophobicContact CD1-CG 3.83Å; L445-L463 HydrophobicContact CD2-CD2 4.04Å; T453-L463 CarbonylContact O-C 3.53Å; T453-L463 WeakPolarHBondContact O-CA 3.45Å; V454-L463 HydrophobicContact CB-CD2 4.02Å; V454-L463 HydrophobicContact CG2-CD2 4.39Å; L463-F479 HydrophobicContact CD1-CZ 4.07Å; L463-F479 HydrophobicContact CD2-CZ 4.38Å; L463-V495 HydrophobicContact CD1-CG1 3.84Å; L463-I497 HydrophobicContact CD1-CD1 4.41Å |
| 464 | T | 91 | Very high | 88 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 18% | 0.184 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 154.5 | 175.2 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | A412 T413 F452 T453 | A412-T464 CarbonylContact O-C 3.51Å; A412-T464 WeakPolarHBondContact O-CA 3.17Å; T413-T464 HydrophobicContact CG2-CG2 3.52Å; F452-T464 WeakPolarHBondContact CA-O 3.1Å; T453-T464 WeakPolarHBondContact CG2-OG1 3.32Å; T453-T464 PolarHBondContact N-O 3.02Å; T453-T464 PolarHBondContact O-N 2.87Å |
| 465 | L | 91.5 | Very high | 87.9 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 127.4 | -177.7 | -167.2 | 70.2 | 0 | 0 | 0 | 112.1 | I404 A408 G411 A412 V451 F452 Q467 V469 | I404-L465 HydrophobicContact CD1-CB 4.24Å; I404-L465 HydrophobicContact CD1-CD1 4.3Å; I404-L465 HydrophobicContact CD1-CD2 4.09Å; I404-L465 HydrophobicContact CD1-CG 4.45Å; A408-L465 HydrophobicContact CB-CD2 4.42Å; A408-L465 WeakPolarHBondContact O-CD2 3.19Å; G411-L465 PolarHBondContact N-O 3.31Å; A412-L465 PolarHBondContact O-N 2.82Å; V451-L465 HydrophobicContact CG1-CD1 4.34Å; F452-L465 HydrophobicContact CD1-CD1 4.16Å; F452-L465 HydrophobicContact CE1-CD1 3.79Å; L465-Q467 WeakPolarHBondContact CD1-O 2.96Å; L465-Q467 WeakPolarHBondContact CG-O 3.49Å; L465-V469 HydrophobicContact CD1-CG1 3.87Å; L465-V469 HydrophobicContact CD1-CG2 4.06Å; L465-V469 HydrophobicContact CD2-CG2 4.41Å |
| 466 | L | 89.4 | Confident | 88.1 | Confident | 80 Ų | 80 | 60.3 Ų | 60.3 | 42% | 0.419 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -99.4 | -32.9 | 176.2 | -77.3 | -177.9 | 0 | 0 | 0 | 113.8 | V410 T449 S450 V451 T453 | V410-L466 VanDerWaalsContact CG1-O 3.27Å; V410-L466 WeakPolarHBondContact CG1-O 3.27Å; T449-L466 WeakPolarHBondContact O-CD1 3.15Å; S450-L466 WeakPolarHBondContact O-CB 3.39Å; V451-L466 PolarHBondContact O-N 3.49Å; T453-L466 HydrophobicContact CG2-CD1 4.39Å; T453-L466 HydrophobicContact CG2-CD2 3.8Å; T453-L466 HydrophobicContact CG2-CG 3.87Å |
| 467 | Q | 88.1 | Confident | 88.5 | Confident | 94 Ų | 94 | 56.9 Ų | 56.9 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -127.6 | 146.9 | 178.4 | -73.4 | 175.7 | -13.3 | 0 | 0 | 108.5 | S450 L465 V469 | S450-Q467 VanDerWaalsContact O-CG 3.25Å; S450-Q467 WeakPolarHBondContact O-CG 3.22Å; S450-Q467 PolarHBondContact O-OE1 2.81Å; L465-Q467 WeakPolarHBondContact CD1-O 2.96Å; L465-Q467 WeakPolarHBondContact CG-O 3.49Å; Q467-V469 PolarHBondContact O-N 3.11Å |
| 468 | P | 88.3 | Confident | 89 | Confident | 99 Ų | 99 | 55.8 Ų | 55.8 | 64% | 0.643 | 30% | 0.295 | S | S | * | . | trans | -55.3 | 142.9 | 170.4 | 27.7 | -34.7 | 0 | 0 | 0 | 109.4 | ||||
| 469 | V | 89 | Confident | 89.6 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | trans | -109 | 148 | 173.8 | -76.5 | 0 | 0 | 0 | 0 | 108.7 | I404 E406 V451 F452 L465 Q467 Y477 V499 | I404-V469 HydrophobicContact CG2-CG2 4.37Å; E406-V469 WeakPolarHBondContact CA-O 3.48Å; E406-V469 WeakPolarHBondContact CB-O 3.37Å; V451-V469 HydrophobicContact CG1-CG1 3.4Å; V451-V469 VanDerWaalsContact CG1-CG1 3.4Å; F452-V469 HydrophobicContact CZ-CG1 4.37Å; L465-V469 HydrophobicContact CD1-CG1 3.87Å; L465-V469 HydrophobicContact CD1-CG2 4.06Å; L465-V469 HydrophobicContact CD2-CG2 4.41Å; Q467-V469 PolarHBondContact O-N 3.11Å; V469-Y477 HydrophobicContact CB-CE2 4.23Å; V469-Y477 HydrophobicContact CG1-CE2 3.7Å; V469-V499 HydrophobicContact CB-CG2 4.47Å | ||
| 470 | D | 89.1 | Confident | 89.9 | Confident | 63 Ų | 63 | 55 Ų | 55 | 34% | 0.337 | 28% | 0.284 | S | S | . | . | trans | -130.2 | 124 | -171.6 | 173.4 | -45.1 | 0 | 0 | 0 | 106.1 | E472 E473 Q474 | D470-E472 WeakPolarHBondContact OD1-CA 3.22Å; D470-E472 WeakPolarHBondContact OD1-CB 3.48Å; D470-E472 PolarHBondContact OD1-N 2.76Å; D470-E473 HydrophobicContact CB-CB 4.19Å; D470-E473 HydrophobicContact CB-CG 4.39Å; D470-E473 PolarHBondContact OD1-N 2.8Å; D470-Q474 PolarHBondContact O-N 3.26Å | ||
| 471 | R | 90.6 | Very high | 90.1 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 5% | 0.053 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -30.3 | -173.4 | -170.7 | -151.7 | 66.9 | 108.9 | -0.7 | 111.3 | E406 Q475 V499 D501 A536 E538 | E406-R471 WeakPolarHBondContact OE2-CB 3.19Å; E406-R471 PolarHBondContact OE2-N 3.01Å; R471-Q475 HydrophobicContact CG-CG 4.18Å; R471-Q475 VanDerWaalsContact O-CG 3.27Å; R471-Q475 WeakPolarHBondContact O-CG 2.89Å; R471-Q475 PolarHBondContact O-N 2.66Å; R471-V499 HydrophobicContact CB-CB 4.4Å; R471-V499 HydrophobicContact CB-CG1 3.84Å; R471-V499 HydrophobicContact CG-CB 4.35Å; R471-V499 HydrophobicContact CG-CG1 4.23Å; R471-D501 IonicContact CZ-OD1 3.5Å; R471-D501 IonicContact NE-OD1 3.85Å; R471-D501 PolarHBondContact NE-OD1 3.15Å; R471-D501 IonicContact NH2-OD1 2.73Å; R471-A536 PolarHBondContact NH2-O 3.41Å; R471-E538 IonicContact CZ-OE2 3.5Å; R471-E538 VanDerWaalsContact NH1-CB 3.32Å; R471-E538 IonicContact NH1-OE2 2.65Å; R471-E538 PolarHBondContact NH1-OE2 2.94Å |
| 472 | E | 87.8 | Confident | 90.2 | Very high | 65 Ų | 65 | 53.5 Ų | 53.5 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -34.9 | 176 | -72.4 | 65.8 | -111.2 | 0 | 0 | 111.5 | D470 N505 A536 | D470-E472 WeakPolarHBondContact OD1-CA 3.22Å; D470-E472 WeakPolarHBondContact OD1-CB 3.48Å; D470-E472 PolarHBondContact OD1-N 2.76Å; E472-N505 PolarHBondContact OE2-ND2 2.67Å; E472-A536 HydrophobicContact CG-CB 3.73Å |
| 473 | E | 86.4 | Confident | 90.1 | Very high | 170 Ų | 170 | 49.8 Ų | 49.8 | 79% | 0.794 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -51.7 | 169 | -72.7 | -158.2 | 158.3 | 0 | 0 | 112.3 | D470 | D470-E473 HydrophobicContact CB-CB 4.19Å; D470-E473 HydrophobicContact CB-CG 4.39Å; D470-E473 PolarHBondContact OD1-N 2.8Å |
| 474 | Q | 89.4 | Confident | 89.9 | Confident | 59 Ų | 59 | 52.3 Ų | 52.3 | 28% | 0.276 | 27% | 0.272 | S | S | . | . | trans | -151.1 | 98.3 | -178.3 | -172.2 | 170.6 | -11.7 | 0 | 0 | 115.5 | Y448 D470 T476 Y477 V499 | Y448-Q474 PolarHBondContact OH-NE2 3.32Å; D470-Q474 PolarHBondContact O-N 3.26Å; Q474-T476 VanDerWaalsContact C-N 3.32Å; Q474-T476 WeakPolarHBondContact CG-O 2.98Å; Q474-T476 PolarHBondContact NE2-O 3.08Å; Q474-T476 PolarHBondContact O-N 3.36Å; Q474-Y477 HydrophobicContact CB-CE1 4.22Å; Q474-Y477 HydrophobicContact CG-CD1 4.31Å; Q474-Y477 HydrophobicContact CG-CE1 3.92Å; Q474-Y477 HydrophobicContact CG-CE2 4.42Å; Q474-Y477 VanDerWaalsContact OE1-CE1 3.27Å; Q474-V499 WeakPolarHBondContact O-CG2 3.46Å | ||
| 475 | Q | 88.3 | Confident | 89.5 | Confident | 107 Ų | 107 | 52.7 Ų | 52.7 | 50% | 0.5 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -58.2 | -29.6 | 178.1 | -58 | -174.1 | -15.4 | 0 | 0 | 116.2 | R471 V499 | R471-Q475 HydrophobicContact CG-CG 4.18Å; R471-Q475 VanDerWaalsContact O-CG 3.27Å; R471-Q475 WeakPolarHBondContact O-CG 2.89Å; R471-Q475 PolarHBondContact O-N 2.66Å; Q475-V499 PolarHBondContact O-N 2.98Å |
| 476 | T | 91.5 | Very high | 88.7 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 46% | 0.46 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 132.9 | -173.9 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | Q474 I497 R498 | Q474-T476 VanDerWaalsContact C-N 3.32Å; Q474-T476 WeakPolarHBondContact CG-O 2.98Å; Q474-T476 PolarHBondContact NE2-O 3.08Å; Q474-T476 PolarHBondContact O-N 3.36Å; T476-I497 WeakPolarHBondContact CA-O 3.39Å; T476-R498 HydrophobicContact CG2-CG 4.46Å |
| 477 | Y | 91.6 | Very high | 88 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.2 | 172.5 | -61.1 | -86.4 | 0 | 0 | 0 | 109.6 | Y448 F452 V469 Q474 I497 V499 | Y448-Y477 AromaticContact CD1-CD1 3.52Å; Y448-Y477 HydrophobicContact CD1-CD1 3.52Å; Y448-Y477 AromaticContact CD1-CE1 3.87Å; Y448-Y477 HydrophobicContact CD1-CE1 3.87Å; Y448-Y477 HydrophobicContact CD2-CD1 4.11Å; Y448-Y477 AromaticContact CE1-CD1 3.56Å; Y448-Y477 HydrophobicContact CE1-CD1 3.56Å; Y448-Y477 AromaticContact CE1-CE1 3.87Å; Y448-Y477 HydrophobicContact CE1-CE1 3.87Å; Y448-Y477 HydrophobicContact CE2-CD1 4.14Å; Y448-Y477 AromaticContact CG-CD1 3.82Å; Y448-Y477 HydrophobicContact CG-CD1 3.82Å; Y448-Y477 AromaticContact CZ-CD1 3.88Å; F452-Y477 AromaticContact CE2-CD1 3.97Å; F452-Y477 HydrophobicContact CE2-CD1 3.97Å; F452-Y477 AromaticContact CE2-CD2 3.92Å; F452-Y477 HydrophobicContact CE2-CD2 3.92Å; F452-Y477 AromaticContact CE2-CG 3.6Å; F452-Y477 HydrophobicContact CE2-CG 3.6Å; F452-Y477 HydrophobicContact CZ-CD1 4.5Å; F452-Y477 AromaticContact CZ-CD2 3.68Å; F452-Y477 HydrophobicContact CZ-CD2 3.68Å; F452-Y477 HydrophobicContact CZ-CE2 4.15Å; F452-Y477 AromaticContact CZ-CG 3.88Å; F452-Y477 HydrophobicContact CZ-CG 3.88Å; V469-Y477 HydrophobicContact CB-CE2 4.23Å; V469-Y477 HydrophobicContact CG1-CE2 3.7Å; Q474-Y477 HydrophobicContact CB-CE1 4.22Å; Q474-Y477 HydrophobicContact CG-CD1 4.31Å; Q474-Y477 HydrophobicContact CG-CE1 3.92Å; Q474-Y477 HydrophobicContact CG-CE2 4.42Å; Q474-Y477 VanDerWaalsContact OE1-CE1 3.27Å; Y477-I497 PolarHBondContact N-O 2.8Å; Y477-I497 PolarHBondContact O-N 2.93Å; Y477-V499 HydrophobicContact CD2-CG2 4.03Å; Y477-V499 HydrophobicContact CE2-CG2 3.66Å |
| 478 | T | 92.2 | Very high | 87.4 | Confident | 78 Ų | 78 | 54 Ų | 54 | 48% | 0.479 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.4 | 178.5 | -62.7 | 0 | 0 | 0 | 0 | 108.6 | V494 V495 N496 | T478-V494 HydrophobicContact CG2-CG1 4.26Å; T478-V495 WeakPolarHBondContact CA-O 3.44Å; T478-N496 VanDerWaalsContact CG2-OD1 3.27Å; T478-N496 WeakPolarHBondContact CG2-OD1 3.48Å; T478-N496 PolarHBondContact OG1-OD1 3.36Å; T478-N496 VanDerWaalsContact OG1-OD1 3.13Å |
| 479 | F | 92.3 | Very high | 87.2 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 167.9 | 179.2 | 55.2 | -91 | 0 | 0 | 0 | 111.2 | L445 N446 D447 Y448 F452 L463 V495 I497 | L445-F479 HydrophobicContact CB-CD2 4.27Å; L445-F479 HydrophobicContact CB-CE2 4.43Å; L445-F479 HydrophobicContact CD2-CD2 4.09Å; L445-F479 HydrophobicContact CD2-CE2 3.51Å; L445-F479 HydrophobicContact CD2-CZ 3.88Å; L445-F479 HydrophobicContact CG-CD2 4.05Å; L445-F479 HydrophobicContact CG-CE2 3.73Å; N446-F479 WeakPolarHBondContact OD1-CB 3.48Å; D447-F479 HydrophobicContact CB-CB 4.31Å; Y448-F479 HydrophobicContact CD2-CB 4.24Å; Y448-F479 HydrophobicContact CD2-CD1 4.06Å; F452-F479 AromaticContact CD2-CE1 3.8Å; F452-F479 HydrophobicContact CD2-CE1 3.8Å; F452-F479 HydrophobicContact CD2-CZ 4.33Å; F452-F479 HydrophobicContact CE2-CE1 4.2Å; F452-F479 HydrophobicContact CG-CE1 4.5Å; L463-F479 HydrophobicContact CD1-CZ 4.07Å; L463-F479 HydrophobicContact CD2-CZ 4.38Å; F479-V495 HydrophobicContact CD2-CB 3.93Å; F479-V495 HydrophobicContact CD2-CG2 4.24Å; F479-V495 HydrophobicContact CE1-CB 4.42Å; F479-V495 HydrophobicContact CE1-CG1 4.2Å; F479-V495 HydrophobicContact CE2-CB 3.64Å; F479-V495 HydrophobicContact CE2-CG1 3.84Å; F479-V495 HydrophobicContact CE2-CG2 3.89Å; F479-V495 HydrophobicContact CG-CB 4.44Å; F479-V495 HydrophobicContact CZ-CB 3.92Å; F479-V495 HydrophobicContact CZ-CG1 3.64Å; F479-V495 PolarHBondContact N-O 2.92Å; F479-V495 PolarHBondContact O-N 3.46Å; F479-I497 HydrophobicContact CE1-CD1 3.74Å; F479-I497 HydrophobicContact CE1-CG1 4.21Å; F479-I497 HydrophobicContact CZ-CD1 3.94Å |
| 480 | L | 92.2 | Very high | 87.2 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 31% | 0.314 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 142.9 | 171.2 | -58.6 | 176 | 0 | 0 | 0 | 109.6 | N446 P492 V493 V494 | N446-L480 HydrophobicContact CB-CB 4.34Å; N446-L480 PolarHBondContact N-O 3.03Å; N446-L480 PolarHBondContact OD1-N 2.89Å; N446-L480 PolarHBondContact OD1-O 2.86Å; L480-P492 HydrophobicContact CB-CB 4.19Å; L480-P492 HydrophobicContact CD1-CB 4.02Å; L480-P492 HydrophobicContact CD2-CB 4.44Å; L480-P492 HydrophobicContact CG-CB 4.45Å; L480-V493 CarbonylContact C-O 3.51Å; L480-V493 WeakPolarHBondContact CA-O 3.45Å; L480-V494 HydrophobicContact CD2-CB 4.43Å; L480-V494 HydrophobicContact CD2-CG2 3.73Å |
| 481 | I | 91.1 | Very high | 87 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 133.3 | 168.3 | -161.9 | 168.2 | 0 | 0 | 0 | 109.5 | F395 I426 L443 F444 L445 V493 V495 | F395-I481 HydrophobicContact CE1-CG2 4.05Å; F395-I481 HydrophobicContact CE2-CG2 4.24Å; F395-I481 WeakPolarHBondContact CE2-O 3.48Å; F395-I481 HydrophobicContact CZ-CB 4.4Å; F395-I481 HydrophobicContact CZ-CG1 4.24Å; F395-I481 HydrophobicContact CZ-CG2 3.72Å; I426-I481 HydrophobicContact CD1-CD1 3.91Å; I426-I481 HydrophobicContact CG2-CD1 4.47Å; L443-I481 HydrophobicContact CB-CD1 4.26Å; L443-I481 HydrophobicContact CB-CG1 4.38Å; L443-I481 HydrophobicContact CD1-CD1 3.87Å; F444-I481 WeakPolarHBondContact O-CA 3.48Å; F444-I481 WeakPolarHBondContact O-CG1 3.47Å; L445-I481 HydrophobicContact CD1-CD1 4.36Å; I481-V493 HydrophobicContact CG2-CB 4.22Å; I481-V493 HydrophobicContact CG2-CG1 4.49Å; I481-V493 PolarHBondContact N-O 3.43Å; I481-V493 PolarHBondContact O-N 2.85Å; I481-V495 HydrophobicContact CB-CG2 3.95Å; I481-V495 HydrophobicContact CG2-CG2 3.59Å |
| 482 | T | 90.8 | Very high | 87 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 14% | 0.135 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 149.7 | 172.4 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | L443 F444 P492 | L443-T482 CarbonylContact C-O 3.54Å; L443-T482 VanDerWaalsContact CA-O 3.32Å; L443-T482 WeakPolarHBondContact CA-O 3.17Å; F444-T482 PolarHBondContact N-O 2.92Å; F444-T482 PolarHBondContact O-N 2.92Å; T482-P492 HydrophobicContact CG2-CB 3.77Å; T482-P492 HydrophobicContact CG2-CG 3.73Å |
| 483 | A | 89.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 139.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110 | P393 F395 A428 L441 L443 E489 S490 | P393-A483 HydrophobicContact CB-CB 4.12Å; F395-A483 HydrophobicContact CE1-CB 4.42Å; F395-A483 HydrophobicContact CE2-CB 4.23Å; F395-A483 HydrophobicContact CZ-CB 3.9Å; A428-A483 HydrophobicContact CB-CB 3.93Å; L441-A483 HydrophobicContact CD1-CB 4.29Å; L443-A483 HydrophobicContact CD2-CB 3.38Å; A483-E489 WeakPolarHBondContact O-CA 3.3Å; A483-S490 PolarHBondContact N-OG 2.79Å; A483-S490 PolarHBondContact O-N 2.94Å |
| 484 | F | 87.7 | Confident | 87.4 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 24% | 0.237 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 126.7 | -177.1 | 179.9 | -115.4 | 0 | 0 | 0 | 109.7 | L441 H442 F444 G486 Q488 E489 | L441-F484 WeakPolarHBondContact CA-O 3.22Å; H442-F484 PolarHBondContact N-O 3.29Å; H442-F484 PolarHBondContact O-N 2.91Å; F444-F484 HydrophobicContact CD2-CB 4.17Å; F444-F484 HydrophobicContact CE2-CB 3.79Å; F444-F484 AromaticContact CE2-CD1 3.96Å; F444-F484 HydrophobicContact CE2-CD1 3.96Å; F444-F484 HydrophobicContact CE2-CG 4.14Å; F484-G486 VanDerWaalsContact CE1-CA 3.46Å; F484-G486 VanDerWaalsContact CZ-CA 3.46Å; F484-G486 WeakPolarHBondContact CZ-O 2.85Å; F484-Q488 WeakPolarHBondContact CA-O 3.45Å; F484-Q488 VanDerWaalsContact CD2-O 3.3Å; F484-Q488 WeakPolarHBondContact CD2-O 3.38Å; F484-E489 HydrophobicContact CD2-CG 3.73Å; F484-E489 HydrophobicContact CE2-CG 4.43Å |
| 485 | D | 84.2 | Confident | 87.5 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | trans | -86.8 | -21.3 | 177.9 | 50.7 | 24 | 0 | 0 | 0 | 113.2 | N389 P393 L441 V487 Q488 | N389-D485 PolarHBondContact ND2-OD2 2.81Å; N389-D485 PolarHBondContact OD1-OD2 2.85Å; P393-D485 VanDerWaalsContact CD-OD2 3.24Å; P393-D485 WeakPolarHBondContact CD-OD2 3.35Å; P393-D485 HydrophobicContact CG-CB 3.83Å; P393-D485 VanDerWaalsContact CG-OD2 3.3Å; P393-D485 WeakPolarHBondContact CG-OD2 3.26Å; L441-D485 HydrophobicContact CD2-CB 3.62Å; D485-V487 WeakPolarHBondContact OD1-CA 3.49Å; D485-V487 PolarHBondContact OD1-N 2.88Å; D485-Q488 PolarHBondContact OD1-N 2.91Å | ||
| 486 | G | 73.3 | Confident | 87.7 | Confident | 47 Ų | 47 | 49.5 Ų | 49.5 | 49% | 0.485 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 128 | -15.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F484 | F484-G486 VanDerWaalsContact CE1-CA 3.46Å; F484-G486 VanDerWaalsContact CZ-CA 3.46Å; F484-G486 WeakPolarHBondContact CZ-O 2.85Å |
| 487 | V | 74.1 | Confident | 87.7 | Confident | 108 Ų | 108 | 46 Ų | 46 | 66% | 0.655 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -133.1 | -46.2 | -174.4 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | N389 D485 | N389-V487 WeakPolarHBondContact OD1-CB 3.46Å; D485-V487 WeakPolarHBondContact OD1-CA 3.49Å; D485-V487 PolarHBondContact OD1-N 2.88Å |
| 488 | Q | 76.6 | Confident | 87.7 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 23% | 0.229 | 27% | 0.273 | C | S | . | . | trans | -120.8 | 145.6 | -174.6 | -65.1 | -179 | 83.3 | 0 | 0 | 112.5 | N389 N390 S392 F484 D485 | N389-Q488 PolarHBondContact OD1-NE2 2.99Å; N390-Q488 VanDerWaalsContact C-NE2 3.34Å; S392-Q488 VanDerWaalsContact N-OE1 3.13Å; F484-Q488 WeakPolarHBondContact CA-O 3.45Å; F484-Q488 VanDerWaalsContact CD2-O 3.3Å; F484-Q488 WeakPolarHBondContact CD2-O 3.38Å; D485-Q488 PolarHBondContact OD1-N 2.91Å | ||
| 489 | E | 83.9 | Confident | 87.6 | Confident | 127 Ų | 127 | 47 Ų | 47 | 59% | 0.593 | 25% | 0.251 | S | S | * | . | B | Isolated β-bridge | trans | -103 | 141.7 | 172.2 | -70.1 | -175.8 | -148 | 0 | 0 | 111.2 | A483 F484 | A483-E489 WeakPolarHBondContact O-CA 3.3Å; F484-E489 HydrophobicContact CD2-CG 3.73Å; F484-E489 HydrophobicContact CE2-CG 4.43Å |
| 490 | S | 89 | Confident | 87.4 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 152.4 | 171.2 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | P393 F395 A483 | P393-S490 WeakPolarHBondContact O-CA 3.22Å; P393-S490 WeakPolarHBondContact O-CB 3.31Å; F395-S490 VanDerWaalsContact CE2-OG 3.3Å; F395-S490 WeakPolarHBondContact CE2-OG 3.16Å; A483-S490 PolarHBondContact N-OG 2.79Å; A483-S490 PolarHBondContact O-N 2.94Å |
| 491 | E | 85.5 | Confident | 87.1 | Confident | 168 Ų | 168 | 48.1 Ų | 48.1 | 79% | 0.785 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 125.6 | 161 | -77.3 | -69.3 | 155.2 | 0 | 0 | 111.6 | V493 | E491-V493 PolarHBondContact O-N 2.89Š|
| 492 | P | 89.6 | Confident | 86.8 | Confident | 67 Ų | 67 | 49 Ų | 49 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -66 | 130.9 | -173.6 | -21.3 | 31.3 | 0 | 0 | 0 | 113.8 | L480 T482 | L480-P492 HydrophobicContact CB-CB 4.19Å; L480-P492 HydrophobicContact CD1-CB 4.02Å; L480-P492 HydrophobicContact CD2-CB 4.44Å; L480-P492 HydrophobicContact CG-CB 4.45Å; T482-P492 HydrophobicContact CG2-CB 3.77Å; T482-P492 HydrophobicContact CG2-CG 3.73Å |
| 493 | V | 90.8 | Very high | 86.6 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.4 | -179.9 | 166.6 | 0 | 0 | 0 | 0 | 111.7 | F395 Y400 L480 I481 E491 | F395-V493 HydrophobicContact CB-CG2 3.88Å; F395-V493 HydrophobicContact CD2-CB 3.85Å; F395-V493 HydrophobicContact CD2-CG2 3.44Å; F395-V493 VanDerWaalsContact CD2-CG2 3.44Å; F395-V493 HydrophobicContact CE2-CB 4.21Å; F395-V493 HydrophobicContact CE2-CG2 4.22Å; F395-V493 HydrophobicContact CG-CB 4.29Å; F395-V493 HydrophobicContact CG-CG2 3.89Å; Y400-V493 HydrophobicContact CD2-CG1 3.6Å; Y400-V493 HydrophobicContact CE2-CG1 3.73Å; L480-V493 CarbonylContact C-O 3.51Å; L480-V493 WeakPolarHBondContact CA-O 3.45Å; I481-V493 HydrophobicContact CG2-CB 4.22Å; I481-V493 HydrophobicContact CG2-CG1 4.49Å; I481-V493 PolarHBondContact N-O 3.43Å; I481-V493 PolarHBondContact O-N 2.85Å; E491-V493 PolarHBondContact O-N 2.89Å |
| 494 | V | 91.9 | Very high | 86.4 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 33% | 0.333 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 129.8 | 178.3 | -177.4 | 0 | 0 | 0 | 0 | 111 | S399 Y400 T478 L480 | S399-V494 CarbonylContact C-O 3.46Å; S399-V494 WeakPolarHBondContact CA-O 3.21Å; Y400-V494 PolarHBondContact N-O 2.96Å; T478-V494 HydrophobicContact CG2-CG1 4.26Å; L480-V494 HydrophobicContact CD2-CB 4.43Å; L480-V494 HydrophobicContact CD2-CG2 3.73Å |
| 495 | V | 92 | Very high | 86.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.4 | 169.3 | -173.2 | 0 | 0 | 0 | 0 | 108.9 | Y400 L463 T478 F479 I481 I497 | Y400-V495 HydrophobicContact CD2-CG2 4.4Å; Y400-V495 WeakPolarHBondContact O-CA 3.5Å; L463-V495 HydrophobicContact CD1-CG1 3.84Å; T478-V495 WeakPolarHBondContact CA-O 3.44Å; F479-V495 HydrophobicContact CD2-CB 3.93Å; F479-V495 HydrophobicContact CD2-CG2 4.24Å; F479-V495 HydrophobicContact CE1-CB 4.42Å; F479-V495 HydrophobicContact CE1-CG1 4.2Å; F479-V495 HydrophobicContact CE2-CB 3.64Å; F479-V495 HydrophobicContact CE2-CG1 3.84Å; F479-V495 HydrophobicContact CE2-CG2 3.89Å; F479-V495 HydrophobicContact CG-CB 4.44Å; F479-V495 HydrophobicContact CZ-CB 3.92Å; F479-V495 HydrophobicContact CZ-CG1 3.64Å; F479-V495 PolarHBondContact N-O 2.92Å; F479-V495 PolarHBondContact O-N 3.46Å; I481-V495 HydrophobicContact CB-CG2 3.95Å; I481-V495 HydrophobicContact CG2-CG2 3.59Å; V495-I497 HydrophobicContact CG1-CG1 4.24Å |
| 496 | N | 92.2 | Very high | 86.5 | Confident | 53 Ų | 53 | 53.1 Ų | 53.1 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 116.5 | 175.1 | -71.5 | -28.3 | 0 | 0 | 0 | 109.7 | Y400 Q401 G402 T478 | Y400-N496 PolarHBondContact O-N 3.24Å; Q401-N496 CarbonylContact C-O 3.59Å; Q401-N496 WeakPolarHBondContact CA-O 3.45Å; Q401-N496 PolarHBondContact NE2-O 3.38Å; G402-N496 PolarHBondContact N-O 2.86Å; T478-N496 VanDerWaalsContact CG2-OD1 3.27Å; T478-N496 WeakPolarHBondContact CG2-OD1 3.48Å; T478-N496 PolarHBondContact OG1-OD1 3.36Å; T478-N496 VanDerWaalsContact OG1-OD1 3.13Å |
| 497 | I | 92 | Very high | 87.3 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.7 | 172.5 | -55 | 177.9 | 0 | 0 | 0 | 108.4 | G402 I404 I414 F452 L463 T476 Y477 F479 V495 | G402-I497 WeakPolarHBondContact O-CA 3.43Å; I404-I497 HydrophobicContact CG2-CG2 3.88Å; I414-I497 HydrophobicContact CD1-CD1 3.96Å; I414-I497 HydrophobicContact CD1-CG2 4.21Å; I414-I497 HydrophobicContact CG1-CD1 3.95Å; I414-I497 HydrophobicContact CG2-CD1 4.36Å; I414-I497 HydrophobicContact CG2-CG1 4.31Å; I414-I497 HydrophobicContact CG2-CG2 4.33Å; F452-I497 HydrophobicContact CD1-CD1 3.86Å; F452-I497 HydrophobicContact CD2-CD1 4.1Å; F452-I497 HydrophobicContact CE1-CD1 3.68Å; F452-I497 HydrophobicContact CE2-CD1 3.94Å; F452-I497 HydrophobicContact CG-CD1 4.07Å; F452-I497 HydrophobicContact CZ-CD1 3.73Å; F452-I497 HydrophobicContact CZ-CG2 4.4Å; L463-I497 HydrophobicContact CD1-CD1 4.41Å; T476-I497 WeakPolarHBondContact CA-O 3.39Å; Y477-I497 PolarHBondContact N-O 2.8Å; Y477-I497 PolarHBondContact O-N 2.93Å; F479-I497 HydrophobicContact CE1-CD1 3.74Å; F479-I497 HydrophobicContact CE1-CG1 4.21Å; F479-I497 HydrophobicContact CZ-CD1 3.94Å; V495-I497 HydrophobicContact CG1-CG1 4.24Å |
| 498 | R | 91 | Very high | 87.9 | Confident | 113 Ų | 113 | 49.6 Ų | 49.6 | 43% | 0.426 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.9 | 169.8 | 177.7 | 169.6 | 179.6 | 177.9 | 0.4 | 109.8 | G402 Y403 I404 T476 E538 | G402-R498 PolarHBondContact O-N 2.75Å; Y403-R498 WeakPolarHBondContact CA-O 3.44Å; Y403-R498 HydrophobicContact CD1-CB 4.14Å; Y403-R498 HydrophobicContact CE1-CB 4.32Å; I404-R498 PolarHBondContact N-O 2.95Å; T476-R498 HydrophobicContact CG2-CG 4.46Å; R498-E538 IonicContact NH2-OE1 3.16Å; R498-E538 PolarHBondContact NH2-OE1 2.88Å |
| 499 | V | 90.7 | Very high | 88.6 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 140.6 | 168.9 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | I404 E406 V469 R471 Q474 Q475 Y477 | I404-V499 CarbonylContact O-C 3.51Å; I404-V499 WeakPolarHBondContact O-CA 3.44Å; E406-V499 HydrophobicContact CB-CG1 3.78Å; V469-V499 HydrophobicContact CB-CG2 4.47Å; R471-V499 HydrophobicContact CB-CB 4.4Å; R471-V499 HydrophobicContact CB-CG1 3.84Å; R471-V499 HydrophobicContact CG-CB 4.35Å; R471-V499 HydrophobicContact CG-CG1 4.23Å; Q474-V499 WeakPolarHBondContact O-CG2 3.46Å; Q475-V499 PolarHBondContact O-N 2.98Å; Y477-V499 HydrophobicContact CD2-CG2 4.03Å; Y477-V499 HydrophobicContact CE2-CG2 3.66Å |
| 500 | M | 87.3 | Confident | 88.6 | Confident | 52 Ų | 52 | 46.4 Ų | 46.4 | 26% | 0.256 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.8 | 178.4 | -68.5 | -178.3 | 55.6 | 0 | 0 | 110 | I404 L405 E406 L418 L420 | I404-M500 PolarHBondContact O-N 2.86Å; L405-M500 WeakPolarHBondContact CA-O 3.41Å; L405-M500 HydrophobicContact CD2-CB 4.3Å; L405-M500 HydrophobicContact CG-CB 4.44Å; E406-M500 PolarHBondContact N-O 3.35Å; E406-M500 VanDerWaalsContact N-O 3.1Å; L418-M500 WeakPolarHBondContact O-CE 3.14Å; L420-M500 HydrophobicContact CD2-SD 4.04Å; L420-M500 HydrophobicContact CG-SD 4.36Å |
| 501 | D | 86.9 | Confident | 88.4 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 19% | 0.193 | 27% | 0.274 | C | S | . | . | trans | -62.4 | 140.7 | -176.9 | -168.6 | 84.1 | 0 | 0 | 0 | 114.2 | L405 E406 R471 E538 N541 | L405-D501 WeakPolarHBondContact CD2-O 3.45Å; E406-D501 WeakPolarHBondContact OE1-CA 3.27Å; R471-D501 IonicContact CZ-OD1 3.5Å; R471-D501 IonicContact NE-OD1 3.85Å; R471-D501 PolarHBondContact NE-OD1 3.15Å; R471-D501 IonicContact NH2-OD1 2.73Å; D501-E538 HydrophobicContact CB-CB 3.79Å; D501-E538 VanDerWaalsContact CG-CB 3.46Å; D501-E538 VanDerWaalsContact CG-N 3.34Å; D501-E538 VanDerWaalsContact OD1-CB 3.24Å; D501-E538 WeakPolarHBondContact OD1-CB 3.41Å; D501-E538 PolarHBondContact OD1-N 3.4Å; D501-N541 PolarHBondContact OD2-ND2 3.04Å | ||
| 502 | A | 84 | Confident | 88.3 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | trans | -130.6 | 148.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L405 E406 D504 | L405-A502 HydrophobicContact CD2-CB 4.23Å; E406-A502 HydrophobicContact CG-CB 4.11Å; E406-A502 PolarHBondContact OE1-N 2.81Å; A502-D504 VanDerWaalsContact C-N 3.29Å; A502-D504 PolarHBondContact O-N 2.92Å | ||
| 503 | N | 86.6 | Confident | 88.1 | Confident | 18 Ų | 18 | 50 Ų | 50 | 10% | 0.096 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -70 | 86.2 | 177.6 | -156.5 | 66.2 | 0 | 0 | 0 | 109.3 | D537 N541 D587 A589 E593 R595 | N503-D537 WeakPolarHBondContact CA-OD2 3.08Å; N503-N541 HydrophobicContact CB-CB 4.37Å; N503-N541 VanDerWaalsContact OD1-CA 3.32Å; N503-N541 WeakPolarHBondContact OD1-CA 3.22Å; N503-N541 WeakPolarHBondContact OD1-CB 3.3Å; N503-D587 PolarHBondContact ND2-OD2 2.92Å; N503-A589 HydrophobicContact CB-CB 4.29Å; N503-A589 WeakPolarHBondContact OD1-CB 3.34Å; N503-E593 PolarHBondContact ND2-O 2.92Å; N503-R595 PolarHBondContact O-NE 2.95Å; N503-R595 PolarHBondContact O-NH2 2.98Å |
| 504 | D | 85.9 | Confident | 88 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 43% | 0.428 | 27% | 0.274 | S | S | . | . | trans | -110.4 | -41.5 | -164.3 | -173.4 | -86.8 | 0 | 0 | 0 | 112.3 | A502 D537 R595 | A502-D504 VanDerWaalsContact C-N 3.29Å; A502-D504 PolarHBondContact O-N 2.92Å; D504-D537 PolarHBondContact N-OD2 3.07Å; D504-R595 VanDerWaalsContact CA-NH2 3.28Å; D504-R595 PolarHBondContact O-NH1 3.16Å; D504-R595 PolarHBondContact O-NH2 2.69Å; D504-R595 VanDerWaalsContact O-NH2 3.08Å | ||
| 505 | N | 85.7 | Confident | 87.6 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -79.2 | -159.9 | 174.7 | -69.5 | -87.8 | 0 | 0 | 0 | 110.7 | E472 D535 A536 D537 R595 | E472-N505 PolarHBondContact OE2-ND2 2.67Å; N505-D535 WeakPolarHBondContact CB-OD1 3.5Å; N505-A536 HydrophobicContact CB-CB 4.34Å; N505-D537 WeakPolarHBondContact CB-OD1 3.39Å; N505-D537 PolarHBondContact N-OD1 3.33Å; N505-D537 VanDerWaalsContact N-OD1 3.11Å; N505-D537 PolarHBondContact N-OD2 3.08Å; N505-D537 PolarHBondContact ND2-OD1 3.35Å; N505-R595 WeakPolarHBondContact O-CD 3.39Å; N505-R595 PolarHBondContact O-NE 2.78Å; N505-R595 PolarHBondContact O-NH1 3.26Å |
| 506 | T | 87 | Confident | 87.2 | Confident | 43 Ų | 43 | 55.8 Ų | 55.8 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | trans | -164 | 139.6 | -177.9 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | T508 D535 R595 | T506-T508 PolarHBondContact O-N 3.25Å; T506-T508 PolarHBondContact O-OG1 2.96Å; T506-D535 WeakPolarHBondContact CA-OD2 3.48Å; T506-D535 PolarHBondContact N-OD1 2.82Å; T506-R595 HydrophobicContact CG2-CB 4.15Å; T506-R595 WeakPolarHBondContact OG1-CD 3.35Å; T506-R595 PolarHBondContact OG1-NH1 3.5Å | ||
| 507 | P | 90.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -67.9 | 107.9 | -176.9 | -17.2 | 28.8 | 0 | 0 | 0 | 110.2 | A533 V534 D535 I544 A585 D587 S597 | P507-A533 HydrophobicContact CB-CB 4.42Å; P507-V534 CarbonylContact C-O 3.53Å; P507-V534 WeakPolarHBondContact CA-O 3.13Å; P507-D535 WeakPolarHBondContact CD-OD2 3.39Å; P507-D535 HydrophobicContact CG-CB 4.49Å; P507-D535 WeakPolarHBondContact CG-OD2 3.13Å; P507-I544 HydrophobicContact CB-CD1 4.15Å; P507-I544 HydrophobicContact CB-CG1 4.06Å; P507-I544 HydrophobicContact CB-CG2 4.04Å; P507-I544 HydrophobicContact CG-CG1 4.47Å; P507-A585 HydrophobicContact CB-CB 3.98Å; P507-D587 HydrophobicContact CG-CB 4.13Å; P507-S597 WeakPolarHBondContact O-CB 3.32Å; P507-S597 PolarHBondContact O-OG 2.79Å | ||
| 508 | T | 87.8 | Confident | 86.3 | Confident | 81 Ų | 81 | 60.6 Ų | 60.6 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -114 | 124.4 | -167.7 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | T506 A533 V534 | T506-T508 PolarHBondContact O-N 3.25Å; T506-T508 PolarHBondContact O-OG1 2.96Å; T508-A533 CarbonylContact O-C 3.47Å; T508-A533 VanDerWaalsContact O-CA 3.23Å; T508-A533 WeakPolarHBondContact O-CA 3.19Å; T508-V534 PolarHBondContact N-O 3.41Å; T508-V534 PolarHBondContact O-N 2.94Å |
| 509 | F | 89.8 | Confident | 85.4 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 8% | 0.083 | 32% | 0.316 | C | S | . | . | trans | -76.4 | 141.5 | 172.6 | -67.1 | -74.1 | 0 | 0 | 0 | 111.9 | E511 L531 A533 Y546 V583 A585 S597 C599 | F509-E511 VanDerWaalsContact C-N 3.35Å; F509-E511 PolarHBondContact O-N 3Å; F509-L531 HydrophobicContact CE1-CB 4.18Å; F509-A533 HydrophobicContact CD1-CB 3.97Å; F509-A533 HydrophobicContact CE1-CB 4.13Å; F509-A533 HydrophobicContact CG-CB 4.33Å; F509-Y546 HydrophobicContact CE1-CD1 4.13Å; F509-Y546 AromaticContact CE1-CE1 3.93Å; F509-Y546 HydrophobicContact CE1-CE1 3.93Å; F509-Y546 HydrophobicContact CZ-CD1 4.24Å; F509-Y546 HydrophobicContact CZ-CE1 4.38Å; F509-V583 HydrophobicContact CZ-CG1 4.23Å; F509-A585 HydrophobicContact CD2-CB 4.45Å; F509-A585 HydrophobicContact CE1-CB 4.07Å; F509-A585 HydrophobicContact CE2-CB 3.67Å; F509-A585 HydrophobicContact CZ-CB 3.44Å; F509-A585 VanDerWaalsContact CZ-CB 3.44Å; F509-S597 VanDerWaalsContact CD2-OG 3.28Å; F509-S597 WeakPolarHBondContact CD2-OG 3.45Å; F509-C599 HydrophobicContact CB-CB 4.36Å; F509-C599 HydrophobicContact CD2-CB 3.8Å; F509-C599 HydrophobicContact CE2-CB 4.18Å; F509-C599 HydrophobicContact CG-CB 4.03Å | ||
| 510 | P | 85.2 | Confident | 84.6 | Confident | 91 Ų | 91 | 63.4 Ų | 63.4 | 59% | 0.591 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -64.1 | -32.1 | 175 | -25 | 34.4 | 0 | 0 | 0 | 115 | T532 | P510-T532 WeakPolarHBondContact CD-O 3.42Š|
| 511 | E | 84.3 | Confident | 84.1 | Confident | 112 Ų | 112 | 67.3 Ų | 67.3 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | trans | -128.8 | 147.8 | 179.3 | -62.1 | -179.8 | -158.6 | 0 | 0 | 111.1 | F509 Y514 | F509-E511 VanDerWaalsContact C-N 3.35Å; F509-E511 PolarHBondContact O-N 3Å; E511-Y514 HydrophobicContact CB-CE1 3.83Å; E511-Y514 HydrophobicContact CB-CE2 4.34Å; E511-Y514 HydrophobicContact CG-CE1 4.26Å | ||
| 512 | I | 83 | Confident | 83.3 | Confident | 147 Ų | 147 | 68.1 Ų | 68.1 | 75% | 0.754 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -79.6 | -27.9 | -176 | -35.8 | 177.7 | 0 | 0 | 0 | 111.1 | C599 T600 | I512-C599 VanDerWaalsContact O-CA 3.29Å; I512-C599 WeakPolarHBondContact O-CA 3.38Å; I512-C599 WeakPolarHBondContact O-CB 3.47Å; I512-T600 PolarHBondContact O-N 2.74Å |
| 513 | S | 86.6 | Confident | 83 | Confident | 57 Ų | 57 | 70.3 Ų | 70.3 | 40% | 0.399 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 146.2 | -177.1 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | T600 | S513-T600 CarbonylContact C-O 3.47Å; S513-T600 WeakPolarHBondContact CA-O 3.45Å; S513-T600 WeakPolarHBondContact CB-O 3.29Å; S513-T600 WeakPolarHBondContact CB-OG1 3.44Å |
| 514 | Y | 86.9 | Confident | 82.7 | Confident | 37 Ų | 37 | 72.9 Ų | 72.9 | 15% | 0.145 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 149.8 | -178.4 | -55.6 | -89.2 | 0 | 0 | 0 | 111.1 | E511 I529 L531 C599 T600 V601 Y602 | E511-Y514 HydrophobicContact CB-CE1 3.83Å; E511-Y514 HydrophobicContact CB-CE2 4.34Å; E511-Y514 HydrophobicContact CG-CE1 4.26Å; Y514-I529 HydrophobicContact CD1-CD1 3.95Å; Y514-I529 HydrophobicContact CG-CD1 3.84Å; Y514-L531 HydrophobicContact CD2-CD2 3.65Å; Y514-L531 HydrophobicContact CE2-CD2 3.46Å; Y514-L531 VanDerWaalsContact CE2-CD2 3.46Å; Y514-L531 HydrophobicContact CG-CD2 4.34Å; Y514-C599 HydrophobicContact CE2-CB 4.35Å; Y514-T600 PolarHBondContact N-O 2.69Å; Y514-V601 HydrophobicContact CD2-CG2 4.21Å; Y514-V601 CarbonylContact O-C 3.34Å; Y514-V601 WeakPolarHBondContact O-CA 3.35Å; Y514-Y602 PolarHBondContact O-N 3.33Å |
| 515 | D | 85.5 | Confident | 82.4 | Confident | 124 Ų | 124 | 71.2 Ų | 71.2 | 66% | 0.663 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.6 | 178.9 | -65.7 | -56 | 0 | 0 | 0 | 111.6 | Y602 | D515-Y602 WeakPolarHBondContact OD1-CB 3.2Å; D515-Y602 VanDerWaalsContact OD1-CD2 3.29Å; D515-Y602 WeakPolarHBondContact OD1-CD2 3.47Å |
| 516 | V | 83.5 | Confident | 82.2 | Confident | 27 Ų | 27 | 71.6 Ų | 71.6 | 16% | 0.164 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 149.8 | -176.3 | -167.3 | 0 | 0 | 0 | 0 | 111.9 | V528 I529 V601 Y602 I603 E604 | V516-V528 HydrophobicContact CB-CG1 4.37Å; V516-V528 HydrophobicContact CG1-CG1 3.84Å; V516-V528 HydrophobicContact CG2-CG1 4.49Å; V516-I529 HydrophobicContact CG2-CB 4.31Å; V516-I529 HydrophobicContact CG2-CD1 4.24Å; V516-V601 HydrophobicContact CG2-CG1 3.92Å; V516-Y602 PolarHBondContact N-O 3.36Å; V516-I603 HydrophobicContact CB-CG1 4.47Å; V516-I603 WeakPolarHBondContact O-CA 3.28Å; V516-E604 PolarHBondContact O-N 2.91Å |
| 517 | Y | 82.8 | Confident | 82 | Confident | 156 Ų | 156 | 73.1 Ų | 73.1 | 61% | 0.612 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 145.4 | 174 | -63 | -72.9 | 0 | 0 | 0 | 111.6 | E604 | Y517-E604 HydrophobicContact CD1-CB 4.16Å; Y517-E604 HydrophobicContact CE1-CB 4.44Å |
| 518 | V | 81 | Confident | 81.8 | Confident | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.006 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 161 | 178.4 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | M522 L573 I603 E604 V605 L606 | V518-M522 HydrophobicContact CB-SD 3.54Å; V518-M522 VanDerWaalsContact CB-SD 3.54Å; V518-M522 HydrophobicContact CG1-CE 4.23Å; V518-M522 HydrophobicContact CG1-SD 3.71Å; V518-L573 HydrophobicContact CB-CD1 3.84Å; V518-L573 HydrophobicContact CG2-CD1 3.68Å; V518-I603 HydrophobicContact CB-CG2 4.42Å; V518-I603 HydrophobicContact CG1-CG2 3.95Å; V518-I603 HydrophobicContact CG2-CG2 3.58Å; V518-E604 WeakPolarHBondContact CG2-O 3.31Å; V518-E604 PolarHBondContact N-O 2.71Å; V518-E604 VanDerWaalsContact O-O 3.13Å; V518-V605 HydrophobicContact CG2-CB 4.42Å; V518-V605 HydrophobicContact CG2-CG2 3.78Å; V518-V605 WeakPolarHBondContact O-CA 3.45Å; V518-L606 PolarHBondContact O-N 2.92Å |
| 519 | Y | 73.5 | Confident | 81.9 | Confident | 123 Ų | 123 | 71.9 Ų | 71.9 | 48% | 0.482 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 157.1 | -175.7 | -61.4 | -86.8 | 0 | 0 | 0 | 111.9 | D521 M522 L606 | Y519-D521 WeakPolarHBondContact CB-OD1 3.2Å; Y519-D521 PolarHBondContact O-N 2.81Å; Y519-M522 PolarHBondContact N-SD 3.48Å; Y519-M522 PolarHBondContact O-N 3.01Å; Y519-L606 HydrophobicContact CD1-CB 3.93Å; Y519-L606 HydrophobicContact CD1-CD1 4.4Å; Y519-L606 HydrophobicContact CE1-CB 4.18Å; Y519-L606 HydrophobicContact CE1-CD1 3.86Å |
| 520 | T | 73.4 | Confident | 81.8 | Confident | 50 Ų | 50 | 76.6 Ų | 76.6 | 31% | 0.307 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -0.7 | -178.8 | 46.1 | 0 | 0 | 0 | 0 | 115.1 | L573 V575 V605 L606 | T520-L573 VanDerWaalsContact CG2-O 3.26Å; T520-L573 WeakPolarHBondContact CG2-O 3.46Å; T520-V575 HydrophobicContact CG2-CB 4.43Å; T520-V575 HydrophobicContact CG2-CG2 3.53Å; T520-V605 HydrophobicContact CG2-CG1 3.54Å; T520-L606 WeakPolarHBondContact CG2-O 3.44Å; T520-L606 PolarHBondContact N-O 2.82Å; T520-L606 PolarHBondContact OG1-O 2.92Å |
| 521 | D | 75.8 | Confident | 82.1 | Confident | 134 Ų | 134 | 72.3 Ų | 72.3 | 72% | 0.717 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 4 | 172.5 | 59 | -18.7 | 0 | 0 | 0 | 113.9 | Y519 | Y519-D521 WeakPolarHBondContact CB-OD1 3.2Å; Y519-D521 PolarHBondContact O-N 2.81Å |
| 522 | M | 70.8 | Confident | 82.4 | Confident | 53 Ų | 53 | 70.5 Ų | 70.5 | 26% | 0.261 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 144.1 | 171.1 | -67.2 | -176 | 68.9 | 0 | 0 | 111.9 | V518 Y519 D526 I567 | V518-M522 HydrophobicContact CB-SD 3.54Å; V518-M522 VanDerWaalsContact CB-SD 3.54Å; V518-M522 HydrophobicContact CG1-CE 4.23Å; V518-M522 HydrophobicContact CG1-SD 3.71Å; Y519-M522 PolarHBondContact N-SD 3.48Å; Y519-M522 PolarHBondContact O-N 3.01Å; M522-D526 HydrophobicContact CE-CB 4.03Å; M522-I567 HydrophobicContact CB-CD1 3.62Å; M522-I567 HydrophobicContact CE-CD1 4.03Å; M522-I567 HydrophobicContact SD-CD1 4.44Å |
| 523 | S | 78.6 | Confident | 82.6 | Confident | 66 Ų | 66 | 64 Ų | 64 | 46% | 0.462 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -93.1 | 147.6 | -173.1 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | G525 D526 | S523-G525 PolarHBondContact O-N 2.86Å; S523-D526 PolarHBondContact N-OD2 2.75Å; S523-D526 VanDerWaalsContact O-CB 3.28Å; S523-D526 WeakPolarHBondContact O-CB 3.47Å; S523-D526 VanDerWaalsContact O-CG 3.28Å; S523-D526 PolarHBondContact O-N 2.84Å |
| 524 | P | 80 | Confident | 82.7 | Confident | 72 Ų | 72 | 66.1 Ų | 66.1 | 47% | 0.468 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 126.5 | 171.6 | -24.4 | 34.2 | 0 | 0 | 0 | 111.9 | ||
| 525 | G | 78.1 | Confident | 82.8 | Confident | 44 Ų | 44 | 65.5 Ų | 65.5 | 45% | 0.454 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | -9.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S523 I567 | S523-G525 PolarHBondContact O-N 2.86Å; G525-I567 PolarHBondContact N-O 3.27Å |
| 526 | D | 82.3 | Confident | 82.9 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 35% | 0.353 | 35% | 0.35 | S | S | . | . | trans | -62.5 | 143 | 173.1 | -73.7 | -15.4 | 0 | 0 | 0 | 110.9 | M522 S523 S566 I567 | M522-D526 HydrophobicContact CE-CB 4.03Å; S523-D526 PolarHBondContact N-OD2 2.75Å; S523-D526 VanDerWaalsContact O-CB 3.28Å; S523-D526 WeakPolarHBondContact O-CB 3.47Å; S523-D526 VanDerWaalsContact O-CG 3.28Å; S523-D526 PolarHBondContact O-N 2.84Å; D526-S566 CarbonylContact O-C 3.37Å; D526-S566 VanDerWaalsContact O-CA 3.25Å; D526-S566 WeakPolarHBondContact O-CA 3.27Å; D526-S566 WeakPolarHBondContact O-CB 3.21Å; D526-I567 HydrophobicContact CB-CD1 4.27Å; D526-I567 PolarHBondContact O-N 2.96Å | ||
| 527 | S | 82.3 | Confident | 83.1 | Confident | 76 Ų | 76 | 61 Ų | 61 | 53% | 0.531 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 137.8 | -176.4 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 528 | V | 86.4 | Confident | 83.2 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 12% | 0.121 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -53 | -175.3 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | V516 F556 V565 I567 I603 | V516-V528 HydrophobicContact CB-CG1 4.37Å; V516-V528 HydrophobicContact CG1-CG1 3.84Å; V516-V528 HydrophobicContact CG2-CG1 4.49Å; V528-F556 HydrophobicContact CG2-CD1 3.92Å; V528-F556 HydrophobicContact CG2-CE1 3.85Å; V528-V565 HydrophobicContact CB-CB 4.5Å; V528-V565 HydrophobicContact CB-CG1 4.25Å; V528-V565 PolarHBondContact N-O 2.85Å; V528-I567 HydrophobicContact CG2-CG1 4.02Å; V528-I603 HydrophobicContact CG1-CD1 3.98Å |
| 529 | I | 89.3 | Confident | 83.4 | Confident | 34 Ų | 34 | 60 Ų | 60 | 17% | 0.174 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 152.2 | 175.9 | -171.8 | 164.7 | 0 | 0 | 0 | 109.3 | Y514 V516 L531 V565 V601 | Y514-I529 HydrophobicContact CD1-CD1 3.95Å; Y514-I529 HydrophobicContact CG-CD1 3.84Å; V516-I529 HydrophobicContact CG2-CB 4.31Å; V516-I529 HydrophobicContact CG2-CD1 4.24Å; I529-L531 HydrophobicContact CD1-CD2 4.25Å; I529-L531 HydrophobicContact CG1-CD2 4.4Å; I529-V565 HydrophobicContact CG2-CB 3.89Å; I529-V565 HydrophobicContact CG2-CG2 3.94Å; I529-V565 PolarHBondContact N-O 2.73Å; I529-V565 PolarHBondContact O-N 2.82Å; I529-V601 HydrophobicContact CG2-CG1 3.99Å; I529-V601 HydrophobicContact CG2-CG2 4.4Å |
| 530 | Q | 89.7 | Confident | 83.9 | Confident | 119 Ų | 119 | 56.9 Ų | 56.9 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.7 | 168.3 | -170.9 | 175.6 | -1.3 | 0 | 0 | 109.9 | T562 L564 | Q530-T562 WeakPolarHBondContact CG-O 3.29Å; Q530-T562 PolarHBondContact NE2-O 3.04Å; Q530-L564 HydrophobicContact CB-CD1 4Å; Q530-L564 HydrophobicContact CG-CB 4.36Å; Q530-L564 HydrophobicContact CG-CD1 4.46Å |
| 531 | L | 90.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -100.7 | 145.8 | 179.5 | -60.1 | 172.6 | 0 | 0 | 0 | 110.5 | F509 Y514 I529 I558 G563 V565 V583 V601 | F509-L531 HydrophobicContact CE1-CB 4.18Å; Y514-L531 HydrophobicContact CD2-CD2 3.65Å; Y514-L531 HydrophobicContact CE2-CD2 3.46Å; Y514-L531 VanDerWaalsContact CE2-CD2 3.46Å; Y514-L531 HydrophobicContact CG-CD2 4.34Å; I529-L531 HydrophobicContact CD1-CD2 4.25Å; I529-L531 HydrophobicContact CG1-CD2 4.4Å; L531-I558 HydrophobicContact CD1-CD1 4.2Å; L531-G563 PolarHBondContact N-O 3.48Å; L531-G563 WeakPolarHBondContact O-CA 3.07Å; L531-V565 HydrophobicContact CD1-CG2 4.23Å; L531-V583 HydrophobicContact CD1-CB 3.88Å; L531-V583 HydrophobicContact CD1-CG1 3.78Å; L531-V583 HydrophobicContact CD1-CG2 3.71Å; L531-V601 HydrophobicContact CD1-CG2 4.1Å; L531-V601 HydrophobicContact CD2-CG2 4.18Å | ||
| 532 | T | 89.8 | Confident | 84.8 | Confident | 75 Ų | 75 | 50 Ų | 50 | 46% | 0.46 | 32% | 0.324 | S | S | . | . | trans | -137.8 | 130 | 176.6 | 54.4 | 0 | 0 | 0 | 0 | 109.5 | P510 | P510-T532 WeakPolarHBondContact CD-O 3.42Š| ||
| 533 | A | 87.9 | Confident | 85.6 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 8% | 0.083 | 34% | 0.337 | C | S | . | . | trans | -111.2 | 164.8 | 165 | 0 | 0 | 0 | 0 | 0 | 109.7 | P507 T508 F509 I544 Y546 A585 | P507-A533 HydrophobicContact CB-CB 4.42Å; T508-A533 CarbonylContact O-C 3.47Å; T508-A533 VanDerWaalsContact O-CA 3.23Å; T508-A533 WeakPolarHBondContact O-CA 3.19Å; F509-A533 HydrophobicContact CD1-CB 3.97Å; F509-A533 HydrophobicContact CE1-CB 4.13Å; F509-A533 HydrophobicContact CG-CB 4.33Å; A533-I544 VanDerWaalsContact C-CD1 3.46Å; A533-I544 HydrophobicContact CB-CD1 4.07Å; A533-I544 HydrophobicContact CB-CG2 4.35Å; A533-I544 VanDerWaalsContact O-CD1 3.23Å; A533-I544 WeakPolarHBondContact O-CD1 3.18Å; A533-Y546 HydrophobicContact CB-CE1 4.06Å; A533-Y546 PolarHBondContact N-OH 3.24Å; A533-A585 HydrophobicContact CB-CB 3.55Å | ||
| 534 | V | 88.4 | Confident | 86.1 | Confident | 101 Ų | 101 | 51.2 Ų | 51.2 | 61% | 0.612 | 32% | 0.322 | S | S | * | . | B | Isolated β-bridge | trans | -125.5 | 139.3 | 178.2 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | P507 T508 | P507-V534 CarbonylContact C-O 3.53Å; P507-V534 WeakPolarHBondContact CA-O 3.13Å; T508-V534 PolarHBondContact N-O 3.41Å; T508-V534 PolarHBondContact O-N 2.94Å |
| 535 | D | 89.7 | Confident | 86.7 | Confident | 25 Ų | 25 | 48 Ų | 48 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | trans | -143.2 | 158.5 | 171.7 | -149.2 | -30.9 | 0 | 0 | 0 | 108.2 | N505 T506 P507 I544 | N505-D535 WeakPolarHBondContact CB-OD1 3.5Å; T506-D535 WeakPolarHBondContact CA-OD2 3.48Å; T506-D535 PolarHBondContact N-OD1 2.82Å; P507-D535 WeakPolarHBondContact CD-OD2 3.39Å; P507-D535 HydrophobicContact CG-CB 4.49Å; P507-D535 WeakPolarHBondContact CG-OD2 3.13Å; D535-I544 HydrophobicContact CB-CD1 3.97Å; D535-I544 HydrophobicContact CB-CG1 3.97Å | ||
| 536 | A | 87.5 | Confident | 87.3 | Confident | 47 Ų | 47 | 46.9 Ų | 46.9 | 39% | 0.388 | 28% | 0.283 | S | S | . | . | trans | -120.7 | -20.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115 | R471 E472 N505 | R471-A536 PolarHBondContact NH2-O 3.41Å; E472-A536 HydrophobicContact CG-CB 3.73Å; N505-A536 HydrophobicContact CB-CB 4.34Å | ||
| 537 | D | 88.4 | Confident | 87.7 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.043 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -64 | 165 | -174.9 | -55.6 | -11.1 | 0 | 0 | 0 | 113.3 | N503 D504 N505 N541 G542 | N503-D537 WeakPolarHBondContact CA-OD2 3.08Å; D504-D537 PolarHBondContact N-OD2 3.07Å; N505-D537 WeakPolarHBondContact CB-OD1 3.39Å; N505-D537 PolarHBondContact N-OD1 3.33Å; N505-D537 VanDerWaalsContact N-OD1 3.11Å; N505-D537 PolarHBondContact N-OD2 3.08Å; N505-D537 PolarHBondContact ND2-OD1 3.35Å; D537-N541 HydrophobicContact CB-CB 3.39Å; D537-G542 VanDerWaalsContact O-CA 3.23Å; D537-G542 WeakPolarHBondContact O-CA 3.36Å; D537-G542 PolarHBondContact O-N 2.91Å; D537-G542 VanDerWaalsContact O-N 3.14Å |
| 538 | E | 84.8 | Confident | 88.1 | Confident | 77 Ų | 77 | 46.5 Ų | 46.5 | 36% | 0.36 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -79.7 | 138.3 | -173.8 | -149.7 | 168.6 | 130.9 | 0 | 0 | 113.8 | R471 R498 D501 S540 N541 | R471-E538 IonicContact CZ-OE2 3.5Å; R471-E538 VanDerWaalsContact NH1-CB 3.32Å; R471-E538 IonicContact NH1-OE2 2.65Å; R471-E538 PolarHBondContact NH1-OE2 2.94Å; R498-E538 IonicContact NH2-OE1 3.16Å; R498-E538 PolarHBondContact NH2-OE1 2.88Å; D501-E538 HydrophobicContact CB-CB 3.79Å; D501-E538 VanDerWaalsContact CG-CB 3.46Å; D501-E538 VanDerWaalsContact CG-N 3.34Å; D501-E538 VanDerWaalsContact OD1-CB 3.24Å; D501-E538 WeakPolarHBondContact OD1-CB 3.41Å; D501-E538 PolarHBondContact OD1-N 3.4Å; E538-S540 PolarHBondContact O-N 2.95Å; E538-S540 VanDerWaalsContact O-N 3.13Å; E538-N541 WeakPolarHBondContact O-CB 3.3Å; E538-N541 PolarHBondContact O-N 2.99Å; E538-N541 VanDerWaalsContact O-N 3.12Å |
| 539 | G | 83.8 | Confident | 88.2 | Confident | 59 Ų | 59 | 49.3 Ų | 49.3 | 61% | 0.608 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | -115.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N541 E543 | G539-N541 PolarHBondContact O-N 2.96Å; G539-E543 WeakPolarHBondContact O-CB 3.21Å; G539-E543 PolarHBondContact O-N 3.43Å |
| 540 | S | 84 | Confident | 88.1 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -20.3 | -179.8 | 50.8 | 0 | 0 | 0 | 0 | 113.9 | E538 N588 A589 | E538-S540 PolarHBondContact O-N 2.95Å; E538-S540 VanDerWaalsContact O-N 3.13Å; S540-N588 CarbonylContact O-C 3.58Å; S540-N588 VanDerWaalsContact O-CA 3.31Å; S540-N588 WeakPolarHBondContact O-CA 2.95Å; S540-N588 WeakPolarHBondContact O-CB 3.21Å; S540-N588 PolarHBondContact O-N 2.81Å; S540-N588 VanDerWaalsContact O-N 3.08Å; S540-A589 PolarHBondContact O-N 2.89Å; S540-A589 VanDerWaalsContact O-N 3.14Å |
| 541 | N | 84.7 | Confident | 87.6 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 10% | 0.096 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -78.9 | -47 | -175.5 | -64.9 | 0.1 | 0 | 0 | 0 | 109.1 | D501 N503 D537 E538 G539 E543 D587 A589 | D501-N541 PolarHBondContact OD2-ND2 3.04Å; N503-N541 HydrophobicContact CB-CB 4.37Å; N503-N541 VanDerWaalsContact OD1-CA 3.32Å; N503-N541 WeakPolarHBondContact OD1-CA 3.22Å; N503-N541 WeakPolarHBondContact OD1-CB 3.3Å; D537-N541 HydrophobicContact CB-CB 3.39Å; E538-N541 WeakPolarHBondContact O-CB 3.3Å; E538-N541 PolarHBondContact O-N 2.99Å; E538-N541 VanDerWaalsContact O-N 3.12Å; G539-N541 PolarHBondContact O-N 2.96Å; N541-E543 VanDerWaalsContact C-N 3.34Å; N541-E543 PolarHBondContact O-N 2.86Å; N541-D587 WeakPolarHBondContact O-CB 3.38Å; N541-A589 VanDerWaalsContact OD1-CB 3.31Å; N541-A589 WeakPolarHBondContact OD1-CB 3.4Å |
| 542 | G | 84 | Confident | 86.8 | Confident | 22 Ų | 22 | 48 Ų | 48 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -76.9 | -5.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | D537 I544 | D537-G542 VanDerWaalsContact O-CA 3.23Å; D537-G542 WeakPolarHBondContact O-CA 3.36Å; D537-G542 PolarHBondContact O-N 2.91Å; D537-G542 VanDerWaalsContact O-N 3.14Å; G542-I544 PolarHBondContact O-N 3.26Å; G542-I544 VanDerWaalsContact O-N 3.16Å |
| 543 | E | 87.4 | Confident | 86.2 | Confident | 114 Ų | 114 | 50.2 Ų | 50.2 | 53% | 0.533 | 30% | 0.297 | S | S | . | . | trans | -82.9 | 95.4 | -177.4 | -167.6 | -174.6 | -149.2 | 0 | 0 | 112.1 | G539 N541 D587 N588 | G539-E543 WeakPolarHBondContact O-CB 3.21Å; G539-E543 PolarHBondContact O-N 3.43Å; N541-E543 VanDerWaalsContact C-N 3.34Å; N541-E543 PolarHBondContact O-N 2.86Å; E543-D587 CarbonylContact O-C 3.53Å; E543-N588 HydrophobicContact CB-CB 4.3Å; E543-N588 VanDerWaalsContact CD-ND2 3.26Å; E543-N588 WeakPolarHBondContact CG-ND2 3.33Å; E543-N588 VanDerWaalsContact O-CG 3.27Å; E543-N588 PolarHBondContact O-N 3.22Å; E543-N588 VanDerWaalsContact O-N 3.09Å; E543-N588 PolarHBondContact O-ND2 3.32Å; E543-N588 PolarHBondContact OE2-ND2 2.76Å | ||
| 544 | I | 90.2 | Very high | 85.8 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | trans | -73.9 | 140.5 | -176.3 | -51.3 | 177.1 | 0 | 0 | 0 | 112.4 | P507 A533 D535 G542 Y546 A585 | P507-I544 HydrophobicContact CB-CD1 4.15Å; P507-I544 HydrophobicContact CB-CG1 4.06Å; P507-I544 HydrophobicContact CB-CG2 4.04Å; P507-I544 HydrophobicContact CG-CG1 4.47Å; A533-I544 VanDerWaalsContact C-CD1 3.46Å; A533-I544 HydrophobicContact CB-CD1 4.07Å; A533-I544 HydrophobicContact CB-CG2 4.35Å; A533-I544 VanDerWaalsContact O-CD1 3.23Å; A533-I544 WeakPolarHBondContact O-CD1 3.18Å; D535-I544 HydrophobicContact CB-CD1 3.97Å; D535-I544 HydrophobicContact CB-CG1 3.97Å; G542-I544 PolarHBondContact O-N 3.26Å; G542-I544 VanDerWaalsContact O-N 3.16Å; I544-Y546 HydrophobicContact CG2-CE1 4.1Å; I544-Y546 HydrophobicContact CG2-CE2 4.19Å; I544-A585 HydrophobicContact CG2-CB 3.88Å | ||
| 545 | S | 90.9 | Very high | 85.7 | Confident | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 142.1 | 168.9 | 74.1 | 0 | 0 | 0 | 0 | 113.6 | K560 S586 N588 | S545-K560 WeakPolarHBondContact CA-O 3.33Å; S545-K560 WeakPolarHBondContact OG-CE 3.25Å; S545-S586 PolarHBondContact N-O 2.82Å; S545-S586 PolarHBondContact O-N 2.93Å; S545-S586 PolarHBondContact OG-O 3.23Å; S545-N588 PolarHBondContact OG-OD1 2.81Å |
| 546 | Y | 92.1 | Very high | 85.6 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 8% | 0.078 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 140.7 | -171.3 | -56 | -85.4 | 0 | 0 | 0 | 113.4 | F509 A533 I544 K560 Q584 A585 | F509-Y546 HydrophobicContact CE1-CD1 4.13Å; F509-Y546 AromaticContact CE1-CE1 3.93Å; F509-Y546 HydrophobicContact CE1-CE1 3.93Å; F509-Y546 HydrophobicContact CZ-CD1 4.24Å; F509-Y546 HydrophobicContact CZ-CE1 4.38Å; A533-Y546 HydrophobicContact CB-CE1 4.06Å; A533-Y546 PolarHBondContact N-OH 3.24Å; I544-Y546 HydrophobicContact CG2-CE1 4.1Å; I544-Y546 HydrophobicContact CG2-CE2 4.19Å; Y546-K560 WeakPolarHBondContact CD2-O 3.42Å; Y546-K560 PolarHBondContact N-O 3.38Å; Y546-K560 WeakPolarHBondContact O-CA 3.1Å; Y546-Q584 WeakPolarHBondContact CA-O 3.17Å; Y546-A585 HydrophobicContact CD1-CB 4.02Å; Y546-A585 HydrophobicContact CE1-CB 3.98Å |
| 547 | E | 91.2 | Very high | 85.6 | Confident | 100 Ų | 100 | 49.4 Ų | 49.4 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 135.8 | 178.9 | -175.6 | 165 | 178.9 | 0 | 0 | 112.3 | L549 V583 Q584 | E547-L549 PolarHBondContact O-N 2.74Å; E547-V583 CarbonylContact O-C 3.56Å; E547-V583 WeakPolarHBondContact O-CA 3.34Å; E547-Q584 PolarHBondContact N-O 2.94Å; E547-Q584 PolarHBondContact O-N 2.66Å |
| 548 | I | 90.1 | Very high | 85.8 | Confident | 35 Ų | 35 | 50.1 Ų | 50.1 | 18% | 0.179 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 106.7 | 168.8 | -64.7 | 159.5 | 0 | 0 | 0 | 107.8 | V550 I558 L581 T582 V583 | I548-V550 WeakPolarHBondContact CG2-O 3.49Å; I548-I558 HydrophobicContact CB-CG2 4.49Å; I548-I558 HydrophobicContact CD1-CB 3.8Å; I548-I558 HydrophobicContact CD1-CG2 3.98Å; I548-I558 HydrophobicContact CG1-CB 3.91Å; I548-I558 HydrophobicContact CG1-CG2 3.75Å; I548-L581 HydrophobicContact CD1-CD1 4.42Å; I548-L581 HydrophobicContact CG2-CB 4.47Å; I548-T582 CarbonylContact C-O 3.59Å; I548-V583 HydrophobicContact CG1-CG2 4.01Å |
| 549 | L | 88.2 | Confident | 86 | Confident | 78 Ų | 78 | 49.8 Ų | 49.8 | 41% | 0.408 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | -45.1 | 178.1 | -62.4 | 179.5 | 0 | 0 | 0 | 112.3 | E547 T582 Q584 I598 | E547-L549 PolarHBondContact O-N 2.74Å; L549-T582 HydrophobicContact CD1-CG2 4.43Å; L549-T582 PolarHBondContact N-O 2.63Å; L549-Q584 HydrophobicContact CD1-CB 3.94Å; L549-Q584 HydrophobicContact CD2-CB 4.08Å; L549-Q584 HydrophobicContact CG-CB 3.87Å; L549-I598 HydrophobicContact CD1-CG2 3.95Å |
| 550 | V | 85.9 | Confident | 86.3 | Confident | 94 Ų | 94 | 52.4 Ų | 52.4 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 158.7 | -169.7 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | I548 G552 L581 T582 | I548-V550 WeakPolarHBondContact CG2-O 3.49Å; V550-G552 PolarHBondContact O-N 2.86Å; V550-L581 CarbonylContact O-C 3.57Å; V550-L581 WeakPolarHBondContact O-CA 3.34Å; V550-T582 PolarHBondContact N-O 3.36Å; V550-T582 PolarHBondContact O-N 2.97Å |
| 551 | G | 79.9 | Confident | 86.4 | Confident | 25 Ų | 25 | 55 Ų | 55 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 94.9 | -22 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116 | K553 A580 | G551-K553 VanDerWaalsContact C-N 3.28Å; G551-K553 PolarHBondContact O-N 3.08Å; G551-A580 WeakPolarHBondContact CA-O 3.41Å |
| 552 | G | 73.5 | Confident | 86.4 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 8% | 0.082 | 32% | 0.321 | C | S | . | . | trans | -67.6 | -17.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | V550 G554 D555 | V550-G552 PolarHBondContact O-N 2.86Å; G552-G554 PolarHBondContact O-N 2.92Å; G552-D555 PolarHBondContact O-N 3.43Å | ||
| 553 | K | 76.8 | Confident | 86.6 | Confident | 121 Ų | 121 | 55.8 Ų | 55.8 | 53% | 0.526 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -9.1 | -176.3 | -52.3 | -172.1 | -162.1 | 127.6 | 0 | 117.3 | G551 T578 Y579 | G551-K553 VanDerWaalsContact C-N 3.28Å; G551-K553 PolarHBondContact O-N 3.08Å; K553-T578 PolarHBondContact NZ-O 3.43Å; K553-Y579 HydrophobicContact CB-CE1 4.14Å; K553-Y579 HydrophobicContact CD-CD1 3.89Å; K553-Y579 HydrophobicContact CD-CE1 3.55Å; K553-Y579 HydrophobicContact CG-CD1 3.95Å; K553-Y579 HydrophobicContact CG-CE1 3.87Å |
| 554 | G | 80.2 | Confident | 86.7 | Confident | 54 Ų | 54 | 53 Ų | 53 | 56% | 0.557 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.4 | -7.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G552 A568 | G552-G554 PolarHBondContact O-N 2.92Å; G554-A568 WeakPolarHBondContact O-CB 3.27Å |
| 555 | D | 85.4 | Confident | 86.7 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 17% | 0.171 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -15.5 | -169.7 | -58.2 | -11.8 | 0 | 0 | 0 | 113.2 | G552 A568 V571 Y579 | G552-D555 PolarHBondContact O-N 3.43Å; D555-A568 WeakPolarHBondContact O-CB 3.41Å; D555-A568 PolarHBondContact O-N 3.19Å; D555-V571 HydrophobicContact CB-CG1 3.84Å; D555-Y579 HydrophobicContact CB-CE1 3.87Å; D555-Y579 WeakPolarHBondContact OD2-CE1 3.04Å; D555-Y579 PolarHBondContact OD2-OH 3.25Å |
| 556 | F | 88.3 | Confident | 86.6 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 4% | 0.044 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139 | 178.7 | -59.6 | -78.3 | 0 | 0 | 0 | 111.9 | V528 V565 S566 I567 L573 Y579 L581 I603 | V528-F556 HydrophobicContact CG2-CD1 3.92Å; V528-F556 HydrophobicContact CG2-CE1 3.85Å; F556-V565 HydrophobicContact CB-CG1 4.12Å; F556-V565 HydrophobicContact CD1-CG1 4.48Å; F556-S566 CarbonylContact C-O 3.57Å; F556-S566 WeakPolarHBondContact CA-O 3.4Å; F556-I567 HydrophobicContact CE1-CG1 4.2Å; F556-L573 HydrophobicContact CZ-CD2 3.97Å; F556-Y579 HydrophobicContact CD2-CD1 4.11Å; F556-Y579 HydrophobicContact CD2-CE1 4.37Å; F556-Y579 HydrophobicContact CD2-CG 4.35Å; F556-Y579 AromaticContact CE2-CD1 3.68Å; F556-Y579 HydrophobicContact CE2-CD1 3.68Å; F556-Y579 AromaticContact CE2-CD2 3.75Å; F556-Y579 HydrophobicContact CE2-CD2 3.75Å; F556-Y579 AromaticContact CE2-CE1 3.81Å; F556-Y579 HydrophobicContact CE2-CE1 3.81Å; F556-Y579 AromaticContact CE2-CE2 3.92Å; F556-Y579 HydrophobicContact CE2-CE2 3.92Å; F556-Y579 AromaticContact CE2-CG 3.65Å; F556-Y579 HydrophobicContact CE2-CG 3.65Å; F556-Y579 AromaticContact CE2-CZ 3.94Å; F556-Y579 HydrophobicContact CZ-CD2 4.32Å; F556-Y579 HydrophobicContact CZ-CE2 4.37Å; F556-L581 HydrophobicContact CB-CD1 4.15Å; F556-L581 HydrophobicContact CB-CD2 4.35Å; F556-L581 HydrophobicContact CD2-CD2 3.99Å; F556-L581 HydrophobicContact CG-CD1 4.37Å; F556-L581 HydrophobicContact CG-CD2 4.41Å; F556-I603 HydrophobicContact CD1-CD1 4.01Å; F556-I603 HydrophobicContact CD2-CD1 3.99Å; F556-I603 HydrophobicContact CE1-CD1 3.8Å; F556-I603 HydrophobicContact CE1-CG2 4.44Å; F556-I603 HydrophobicContact CE2-CD1 3.78Å; F556-I603 HydrophobicContact CG-CD1 4.11Å; F556-I603 HydrophobicContact CZ-CB 4.47Å; F556-I603 HydrophobicContact CZ-CD1 3.68Å; F556-I603 HydrophobicContact CZ-CG2 3.88Å |
| 557 | V | 88.8 | Confident | 86.3 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 42% | 0.424 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132 | 178.8 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | V565 S566 A568 | V557-V565 CarbonylContact O-C 3.56Å; V557-V565 WeakPolarHBondContact O-CA 3.36Å; V557-S566 PolarHBondContact N-O 2.69Å; V557-S566 PolarHBondContact O-N 2.86Å; V557-S566 PolarHBondContact O-OG 3.26Å; V557-A568 HydrophobicContact CG2-CB 3.85Å |
| 558 | I | 91.4 | Very high | 86 | Confident | 23 Ų | 23 | 47 Ų | 47 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 140.1 | 171.8 | -164 | 164.8 | 0 | 0 | 0 | 111.5 | L531 I548 K560 L564 V565 V583 | L531-I558 HydrophobicContact CD1-CD1 4.2Å; I548-I558 HydrophobicContact CB-CG2 4.49Å; I548-I558 HydrophobicContact CD1-CB 3.8Å; I548-I558 HydrophobicContact CD1-CG2 3.98Å; I548-I558 HydrophobicContact CG1-CB 3.91Å; I548-I558 HydrophobicContact CG1-CG2 3.75Å; I558-K560 PolarHBondContact O-N 3.38Å; I558-L564 CarbonylContact C-O 3.56Å; I558-L564 WeakPolarHBondContact CA-O 3.46Å; I558-V565 HydrophobicContact CB-CG2 4.29Å; I558-V565 HydrophobicContact CD1-CG2 3.95Å; I558-V565 HydrophobicContact CG1-CG2 4.01Å; I558-V583 HydrophobicContact CD1-CG1 3.56Å; I558-V583 HydrophobicContact CD1-CG2 4.46Å |
| 559 | N | 89.5 | Confident | 85.5 | Confident | 69 Ų | 69 | 50.8 Ų | 50.8 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | trans | -78.9 | 115.2 | 169 | -178.2 | -53.3 | 0 | 0 | 0 | 110 | T561 T562 G563 L564 | N559-T561 PolarHBondContact O-N 2.71Å; N559-T561 PolarHBondContact OD1-N 2.97Å; N559-T561 PolarHBondContact OD1-OG1 2.85Å; N559-T562 VanDerWaalsContact CB-OG1 3.27Å; N559-T562 WeakPolarHBondContact CB-OG1 3.16Å; N559-T562 PolarHBondContact O-N 3.17Å; N559-T562 PolarHBondContact OD1-N 2.83Å; N559-T562 PolarHBondContact OD1-OG1 3.33Å; N559-G563 PolarHBondContact O-N 2.93Å; N559-L564 HydrophobicContact CB-CB 4.26Å; N559-L564 PolarHBondContact N-O 3.18Å | ||
| 560 | K | 89.4 | Confident | 85 | Confident | 115 Ų | 115 | 50.6 Ų | 50.6 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -24.7 | -174.1 | -178.4 | 163.3 | -177.1 | 167 | 0 | 114.9 | S545 Y546 I558 | S545-K560 WeakPolarHBondContact CA-O 3.33Å; S545-K560 WeakPolarHBondContact OG-CE 3.25Å; Y546-K560 WeakPolarHBondContact CD2-O 3.42Å; Y546-K560 PolarHBondContact N-O 3.38Å; Y546-K560 WeakPolarHBondContact O-CA 3.1Å; I558-K560 PolarHBondContact O-N 3.38Å |
| 561 | T | 86.4 | Confident | 84.5 | Confident | 111 Ų | 111 | 47.5 Ų | 47.5 | 68% | 0.681 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -23.2 | -178.3 | 46.4 | 0 | 0 | 0 | 0 | 114.6 | N559 | N559-T561 PolarHBondContact O-N 2.71Å; N559-T561 PolarHBondContact OD1-N 2.97Å; N559-T561 PolarHBondContact OD1-OG1 2.85Å |
| 562 | T | 85.6 | Confident | 84 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 36% | 0.356 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -6 | -176.5 | 68.1 | 0 | 0 | 0 | 0 | 114.4 | Q530 N559 L564 | Q530-T562 WeakPolarHBondContact CG-O 3.29Å; Q530-T562 PolarHBondContact NE2-O 3.04Å; N559-T562 VanDerWaalsContact CB-OG1 3.27Å; N559-T562 WeakPolarHBondContact CB-OG1 3.16Å; N559-T562 PolarHBondContact O-N 3.17Å; N559-T562 PolarHBondContact OD1-N 2.83Å; N559-T562 PolarHBondContact OD1-OG1 3.33Å; T562-L564 PolarHBondContact O-N 2.79Å; T562-L564 VanDerWaalsContact O-N 3.15Å |
| 563 | G | 87.4 | Confident | 84 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | 67.6 | 7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L531 N559 V565 | L531-G563 PolarHBondContact N-O 3.48Å; L531-G563 WeakPolarHBondContact O-CA 3.07Å; N559-G563 PolarHBondContact O-N 2.93Å; G563-V565 PolarHBondContact O-N 2.99Å | ||
| 564 | L | 90.4 | Very high | 84 | Confident | 54 Ų | 54 | 54.5 Ų | 54.5 | 28% | 0.283 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 117.2 | 179.9 | -177.8 | 67.1 | 0 | 0 | 0 | 111.3 | Q530 I558 N559 T562 | Q530-L564 HydrophobicContact CB-CD1 4Å; Q530-L564 HydrophobicContact CG-CB 4.36Å; Q530-L564 HydrophobicContact CG-CD1 4.46Å; I558-L564 CarbonylContact C-O 3.56Å; I558-L564 WeakPolarHBondContact CA-O 3.46Å; N559-L564 HydrophobicContact CB-CB 4.26Å; N559-L564 PolarHBondContact N-O 3.18Å; T562-L564 PolarHBondContact O-N 2.79Å; T562-L564 VanDerWaalsContact O-N 3.15Å |
| 565 | V | 89.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 134.3 | 170.3 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | V528 I529 L531 F556 V557 I558 G563 L581 | V528-V565 HydrophobicContact CB-CB 4.5Å; V528-V565 HydrophobicContact CB-CG1 4.25Å; V528-V565 PolarHBondContact N-O 2.85Å; I529-V565 HydrophobicContact CG2-CB 3.89Å; I529-V565 HydrophobicContact CG2-CG2 3.94Å; I529-V565 PolarHBondContact N-O 2.73Å; I529-V565 PolarHBondContact O-N 2.82Å; L531-V565 HydrophobicContact CD1-CG2 4.23Å; F556-V565 HydrophobicContact CB-CG1 4.12Å; F556-V565 HydrophobicContact CD1-CG1 4.48Å; V557-V565 CarbonylContact O-C 3.56Å; V557-V565 WeakPolarHBondContact O-CA 3.36Å; I558-V565 HydrophobicContact CB-CG2 4.29Å; I558-V565 HydrophobicContact CD1-CG2 3.95Å; I558-V565 HydrophobicContact CG1-CG2 4.01Å; G563-V565 PolarHBondContact O-N 2.99Å; V565-L581 HydrophobicContact CG1-CD1 3.73Å |
| 566 | S | 89 | Confident | 83 | Confident | 25 Ų | 25 | 56.9 Ų | 56.9 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 158.5 | -176.6 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | D526 F556 V557 A568 | D526-S566 CarbonylContact O-C 3.37Å; D526-S566 VanDerWaalsContact O-CA 3.25Å; D526-S566 WeakPolarHBondContact O-CA 3.27Å; D526-S566 WeakPolarHBondContact O-CB 3.21Å; F556-S566 CarbonylContact C-O 3.57Å; F556-S566 WeakPolarHBondContact CA-O 3.4Å; V557-S566 PolarHBondContact N-O 2.69Å; V557-S566 PolarHBondContact O-N 2.86Å; V557-S566 PolarHBondContact O-OG 3.26Å; S566-A568 PolarHBondContact O-N 2.84Å |
| 567 | I | 86.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 130.9 | 174.5 | -60 | 177.3 | 0 | 0 | 0 | 109.4 | M522 G525 D526 V528 F556 L573 | M522-I567 HydrophobicContact CB-CD1 3.62Å; M522-I567 HydrophobicContact CE-CD1 4.03Å; M522-I567 HydrophobicContact SD-CD1 4.44Å; G525-I567 PolarHBondContact N-O 3.27Å; D526-I567 HydrophobicContact CB-CD1 4.27Å; D526-I567 PolarHBondContact O-N 2.96Å; V528-I567 HydrophobicContact CG2-CG1 4.02Å; F556-I567 HydrophobicContact CE1-CG1 4.2Å; I567-L573 HydrophobicContact CD1-CD1 3.71Å; I567-L573 HydrophobicContact CD1-CG 4.45Å; I567-L573 HydrophobicContact CG1-CD1 4.47Å |
| 568 | A | 83.9 | Confident | 82.2 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 139.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G554 D555 V557 S566 G570 V571 | G554-A568 WeakPolarHBondContact O-CB 3.27Å; D555-A568 WeakPolarHBondContact O-CB 3.41Å; D555-A568 PolarHBondContact O-N 3.19Å; V557-A568 HydrophobicContact CG2-CB 3.85Å; S566-A568 PolarHBondContact O-N 2.84Å; A568-G570 PolarHBondContact O-N 2.84Å; A568-G570 VanDerWaalsContact O-N 3.15Å; A568-V571 HydrophobicContact CB-CB 4.37Å; A568-V571 HydrophobicContact CB-CG2 3.87Å; A568-V571 PolarHBondContact O-N 2.81Å |
| 569 | P | 79.9 | Confident | 82 | Confident | 115 Ų | 115 | 60 Ų | 60 | 75% | 0.747 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 118.2 | 177.6 | -27.4 | 35.9 | 0 | 0 | 0 | 113.1 | ||
| 570 | G | 78 | Confident | 81.9 | Confident | 74 Ų | 74 | 58.8 Ų | 58.8 | 76% | 0.763 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 13.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A568 | A568-G570 PolarHBondContact O-N 2.84Å; A568-G570 VanDerWaalsContact O-N 3.15Å |
| 571 | V | 74.3 | Confident | 81.9 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 17% | 0.17 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -99.1 | 132 | 174.8 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | D555 A568 | D555-V571 HydrophobicContact CB-CG1 3.84Å; A568-V571 HydrophobicContact CB-CB 4.37Å; A568-V571 HydrophobicContact CB-CG2 3.87Å; A568-V571 PolarHBondContact O-N 2.81Å |
| 572 | E | 70.1 | Confident | 82.1 | Confident | 178 Ų | 178 | 49.6 Ų | 49.6 | 83% | 0.832 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -98.9 | 122 | 168.4 | -66.4 | 178.2 | 169.1 | 0 | 0 | 108.6 | ||
| 573 | L | 72.7 | Confident | 82.4 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 138 | 177.2 | -65.4 | 175 | 0 | 0 | 0 | 110.3 | V518 T520 F556 I567 V605 | V518-L573 HydrophobicContact CB-CD1 3.84Å; V518-L573 HydrophobicContact CG2-CD1 3.68Å; T520-L573 VanDerWaalsContact CG2-O 3.26Å; T520-L573 WeakPolarHBondContact CG2-O 3.46Å; F556-L573 HydrophobicContact CZ-CD2 3.97Å; I567-L573 HydrophobicContact CD1-CD1 3.71Å; I567-L573 HydrophobicContact CD1-CG 4.45Å; I567-L573 HydrophobicContact CG1-CD1 4.47Å; L573-V605 HydrophobicContact CB-CG1 3.76Å; L573-V605 HydrophobicContact CB-CG2 4.26Å; L573-V605 HydrophobicContact CD2-CG2 4.49Å |
| 574 | I | 76.5 | Confident | 82.6 | Confident | 109 Ų | 109 | 48.3 Ų | 48.3 | 56% | 0.559 | 30% | 0.302 | S | S | * | . | trans | -108.3 | 126.8 | -177.9 | -57 | 174.6 | 0 | 0 | 0 | 110.3 | G576 Q577 V605 | I574-G576 PolarHBondContact O-N 3.17Å; I574-Q577 HydrophobicContact CB-CG 3.92Å; I574-Q577 VanDerWaalsContact O-CB 3.3Å; I574-Q577 WeakPolarHBondContact O-CB 3.33Å; I574-Q577 WeakPolarHBondContact O-CG 3.44Å; I574-Q577 PolarHBondContact O-N 2.79Å; I574-V605 WeakPolarHBondContact O-CB 3.29Å; I574-V605 WeakPolarHBondContact O-CG1 3.38Å | ||
| 575 | V | 71.8 | Confident | 82.7 | Confident | 74 Ų | 74 | 45.7 Ų | 45.7 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.7 | 128.9 | 175.6 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | T520 Q577 P607 | T520-V575 HydrophobicContact CG2-CB 4.43Å; T520-V575 HydrophobicContact CG2-CG2 3.53Å; V575-Q577 VanDerWaalsContact C-N 3.27Å; V575-Q577 PolarHBondContact O-N 3.29Å; V575-P607 HydrophobicContact CB-CB 4.44Å; V575-P607 HydrophobicContact CG1-CB 3.76Å; V575-P607 HydrophobicContact CG1-CG 3.84Å; V575-P607 HydrophobicContact CG2-CB 3.74Å |
| 576 | G | 73.6 | Confident | 82.8 | Confident | 61 Ų | 61 | 46 Ų | 46 | 63% | 0.629 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I574 V605 | I574-G576 PolarHBondContact O-N 3.17Å; G576-V605 PolarHBondContact N-O 3.32Å |
| 577 | Q | 79.8 | Confident | 82.8 | Confident | 70 Ų | 70 | 44.8 Ų | 44.8 | 33% | 0.327 | 28% | 0.282 | S | S | . | . | trans | -68.5 | 139.4 | 159 | -73.5 | -76.4 | -15.5 | 0 | 0 | 109.8 | I574 V575 Y579 V605 | I574-Q577 HydrophobicContact CB-CG 3.92Å; I574-Q577 VanDerWaalsContact O-CB 3.3Å; I574-Q577 WeakPolarHBondContact O-CB 3.33Å; I574-Q577 WeakPolarHBondContact O-CG 3.44Å; I574-Q577 PolarHBondContact O-N 2.79Å; V575-Q577 VanDerWaalsContact C-N 3.27Å; V575-Q577 PolarHBondContact O-N 3.29Å; Q577-Y579 HydrophobicContact CB-CD2 4.5Å; Q577-Y579 HydrophobicContact CB-CE2 3.6Å; Q577-V605 HydrophobicContact CB-CG2 4.06Å; Q577-V605 PolarHBondContact O-N 2.66Å | ||
| 578 | T | 81.7 | Confident | 82.9 | Confident | 88 Ų | 88 | 47.2 Ų | 47.2 | 54% | 0.54 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 154.1 | 162.9 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | K553 I603 E604 | K553-T578 PolarHBondContact NZ-O 3.43Å; T578-I603 CarbonylContact C-O 3.56Å; T578-I603 WeakPolarHBondContact CA-O 3.35Å; T578-E604 HydrophobicContact CG2-CB 4.06Å; T578-E604 HydrophobicContact CG2-CG 4.04Å |
| 579 | Y | 85.7 | Confident | 82.8 | Confident | 12 Ų | 12 | 47 Ų | 47 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 155.9 | -177.4 | -53.4 | -104.4 | 0 | 0 | 0 | 110 | K553 D555 F556 Q577 Y602 I603 V605 | K553-Y579 HydrophobicContact CB-CE1 4.14Å; K553-Y579 HydrophobicContact CD-CD1 3.89Å; K553-Y579 HydrophobicContact CD-CE1 3.55Å; K553-Y579 HydrophobicContact CG-CD1 3.95Å; K553-Y579 HydrophobicContact CG-CE1 3.87Å; D555-Y579 HydrophobicContact CB-CE1 3.87Å; D555-Y579 WeakPolarHBondContact OD2-CE1 3.04Å; D555-Y579 PolarHBondContact OD2-OH 3.25Å; F556-Y579 HydrophobicContact CD2-CD1 4.11Å; F556-Y579 HydrophobicContact CD2-CE1 4.37Å; F556-Y579 HydrophobicContact CD2-CG 4.35Å; F556-Y579 AromaticContact CE2-CD1 3.68Å; F556-Y579 HydrophobicContact CE2-CD1 3.68Å; F556-Y579 AromaticContact CE2-CD2 3.75Å; F556-Y579 HydrophobicContact CE2-CD2 3.75Å; F556-Y579 AromaticContact CE2-CE1 3.81Å; F556-Y579 HydrophobicContact CE2-CE1 3.81Å; F556-Y579 AromaticContact CE2-CE2 3.92Å; F556-Y579 HydrophobicContact CE2-CE2 3.92Å; F556-Y579 AromaticContact CE2-CG 3.65Å; F556-Y579 HydrophobicContact CE2-CG 3.65Å; F556-Y579 AromaticContact CE2-CZ 3.94Å; F556-Y579 HydrophobicContact CZ-CD2 4.32Å; F556-Y579 HydrophobicContact CZ-CE2 4.37Å; Q577-Y579 HydrophobicContact CB-CD2 4.5Å; Q577-Y579 HydrophobicContact CB-CE2 3.6Å; Y579-Y602 WeakPolarHBondContact O-CA 3.32Å; Y579-I603 HydrophobicContact CD2-CB 4.29Å; Y579-I603 PolarHBondContact N-O 2.84Å; Y579-I603 PolarHBondContact O-N 3.32Å; Y579-V605 HydrophobicContact CE2-CG2 4.09Å |
| 580 | A | 88.6 | Confident | 82.9 | Confident | 42 Ų | 42 | 44.5 Ų | 44.5 | 35% | 0.347 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 83.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | G551 T582 V601 Y602 | G551-A580 WeakPolarHBondContact CA-O 3.41Å; A580-T582 PolarHBondContact O-N 2.87Å; A580-V601 CarbonylContact C-O 3.54Å; A580-V601 WeakPolarHBondContact CA-O 3.48Å; A580-Y602 HydrophobicContact CB-CD1 3.66Å; A580-Y602 HydrophobicContact CB-CE1 3.67Å |
| 581 | L | 89.4 | Confident | 83 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 120.9 | -177.7 | -44.4 | -174.4 | 0 | 0 | 0 | 108.9 | I548 V550 F556 V565 V583 T600 V601 I603 | I548-L581 HydrophobicContact CD1-CD1 4.42Å; I548-L581 HydrophobicContact CG2-CB 4.47Å; V550-L581 CarbonylContact O-C 3.57Å; V550-L581 WeakPolarHBondContact O-CA 3.34Å; F556-L581 HydrophobicContact CB-CD1 4.15Å; F556-L581 HydrophobicContact CB-CD2 4.35Å; F556-L581 HydrophobicContact CD2-CD2 3.99Å; F556-L581 HydrophobicContact CG-CD1 4.37Å; F556-L581 HydrophobicContact CG-CD2 4.41Å; V565-L581 HydrophobicContact CG1-CD1 3.73Å; L581-V583 HydrophobicContact CB-CG2 4.31Å; L581-T600 CarbonylContact O-C 3.57Å; L581-T600 WeakPolarHBondContact O-CA 3.13Å; L581-V601 HydrophobicContact CB-CB 4.14Å; L581-V601 HydrophobicContact CD1-CB 4.36Å; L581-V601 HydrophobicContact CG-CB 4.3Å; L581-V601 PolarHBondContact N-O 2.89Å; L581-V601 PolarHBondContact O-N 3.05Å; L581-I603 HydrophobicContact CD1-CD1 3.78Å; L581-I603 HydrophobicContact CD2-CD1 4.35Å; L581-I603 HydrophobicContact CG-CD1 3.97Å |
| 582 | T | 90.6 | Very high | 83.3 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 20% | 0.202 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 116.8 | 165.6 | -48.2 | 0 | 0 | 0 | 0 | 107.9 | I548 L549 V550 A580 I598 C599 T600 | I548-T582 CarbonylContact C-O 3.59Å; L549-T582 HydrophobicContact CD1-CG2 4.43Å; L549-T582 PolarHBondContact N-O 2.63Å; V550-T582 PolarHBondContact N-O 3.36Å; V550-T582 PolarHBondContact O-N 2.97Å; A580-T582 PolarHBondContact O-N 2.87Å; T582-I598 HydrophobicContact CG2-CB 4.43Å; T582-C599 WeakPolarHBondContact CA-O 3.5Å; T582-T600 HydrophobicContact CG2-CG2 4.42Å |
| 583 | V | 91.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.6 | -179 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | F509 L531 E547 I548 I558 L581 I598 C599 | F509-V583 HydrophobicContact CZ-CG1 4.23Å; L531-V583 HydrophobicContact CD1-CB 3.88Å; L531-V583 HydrophobicContact CD1-CG1 3.78Å; L531-V583 HydrophobicContact CD1-CG2 3.71Å; E547-V583 CarbonylContact O-C 3.56Å; E547-V583 WeakPolarHBondContact O-CA 3.34Å; I548-V583 HydrophobicContact CG1-CG2 4.01Å; I558-V583 HydrophobicContact CD1-CG1 3.56Å; I558-V583 HydrophobicContact CD1-CG2 4.46Å; L581-V583 HydrophobicContact CB-CG2 4.31Å; V583-I598 CarbonylContact O-C 3.59Å; V583-I598 WeakPolarHBondContact O-CA 3.44Å; V583-C599 PolarHBondContact N-O 3.37Å; V583-C599 PolarHBondContact O-N 2.92Å |
| 584 | Q | 92.1 | Very high | 84.5 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 15% | 0.145 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 140.7 | 171.9 | -171.8 | 177.7 | -74.4 | 0 | 0 | 110.3 | Y546 E547 L549 H596 S597 I598 | Y546-Q584 WeakPolarHBondContact CA-O 3.17Å; E547-Q584 PolarHBondContact N-O 2.94Å; E547-Q584 PolarHBondContact O-N 2.66Å; L549-Q584 HydrophobicContact CD1-CB 3.94Å; L549-Q584 HydrophobicContact CD2-CB 4.08Å; L549-Q584 HydrophobicContact CG-CB 3.87Å; Q584-H596 HydrophobicContact CG-CB 3.84Å; Q584-S597 WeakPolarHBondContact CA-O 3.49Å; Q584-S597 WeakPolarHBondContact CG-O 3.5Å; Q584-I598 HydrophobicContact CB-CG2 4.05Å; Q584-I598 HydrophobicContact CG-CG2 4.12Å |
| 585 | A | 91.9 | Very high | 85 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | P507 F509 A533 I544 Y546 H596 S597 | P507-A585 HydrophobicContact CB-CB 3.98Å; F509-A585 HydrophobicContact CD2-CB 4.45Å; F509-A585 HydrophobicContact CE1-CB 4.07Å; F509-A585 HydrophobicContact CE2-CB 3.67Å; F509-A585 HydrophobicContact CZ-CB 3.44Å; F509-A585 VanDerWaalsContact CZ-CB 3.44Å; A533-A585 HydrophobicContact CB-CB 3.55Å; I544-A585 HydrophobicContact CG2-CB 3.88Å; Y546-A585 HydrophobicContact CD1-CB 4.02Å; Y546-A585 HydrophobicContact CE1-CB 3.98Å; A585-H596 CarbonylContact O-C 3.59Å; A585-H596 WeakPolarHBondContact O-CA 3.34Å; A585-H596 VanDerWaalsContact O-CB 3.24Å; A585-H596 WeakPolarHBondContact O-CB 3.46Å; A585-S597 PolarHBondContact N-O 3.29Å; A585-S597 PolarHBondContact O-N 2.99Å |
| 586 | S | 91 | Very high | 85.9 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 142.4 | 179.4 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | S545 R595 | S545-S586 PolarHBondContact N-O 2.82Å; S545-S586 PolarHBondContact O-N 2.93Å; S545-S586 PolarHBondContact OG-O 3.23Å; S586-R595 WeakPolarHBondContact CA-O 3.49Å |
| 587 | D | 90.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -63.9 | 172.9 | 174.8 | 65.2 | 49.7 | 0 | 0 | 0 | 112.1 | N503 P507 N541 E543 A589 R594 R595 | N503-D587 PolarHBondContact ND2-OD2 2.92Å; P507-D587 HydrophobicContact CG-CB 4.13Å; N541-D587 WeakPolarHBondContact O-CB 3.38Å; E543-D587 CarbonylContact O-C 3.53Å; D587-A589 HydrophobicContact CB-CB 4.45Å; D587-A589 WeakPolarHBondContact OD1-CA 3.3Å; D587-A589 WeakPolarHBondContact OD1-CB 3.2Å; D587-A589 PolarHBondContact OD1-N 3.05Å; D587-R594 PolarHBondContact O-NE 3.28Å; D587-R594 WeakPolarHBondContact OD1-CA 3.4Å; D587-R594 WeakPolarHBondContact OD1-CB 3.44Å; D587-R594 WeakPolarHBondContact OD1-CG 3.27Å; D587-R594 IonicContact OD1-NE 2.7Å; D587-R594 PolarHBondContact OD1-NE 3.28Å; D587-R594 WeakPolarHBondContact OD2-CA 3.32Å; D587-R595 PolarHBondContact N-O 3.08Å; D587-R595 WeakPolarHBondContact OD2-CA 3.18Å; D587-R595 PolarHBondContact OD2-N 2.85Å | ||
| 588 | N | 87.7 | Confident | 87.3 | Confident | 51 Ų | 51 | 51.3 Ų | 51.3 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | trans | -100 | 10 | 171.8 | -74.7 | -23.9 | 0 | 0 | 0 | 113 | S540 E543 S545 R594 | S540-N588 CarbonylContact O-C 3.58Å; S540-N588 VanDerWaalsContact O-CA 3.31Å; S540-N588 WeakPolarHBondContact O-CA 2.95Å; S540-N588 WeakPolarHBondContact O-CB 3.21Å; S540-N588 PolarHBondContact O-N 2.81Å; S540-N588 VanDerWaalsContact O-N 3.08Å; E543-N588 HydrophobicContact CB-CB 4.3Å; E543-N588 VanDerWaalsContact CD-ND2 3.26Å; E543-N588 WeakPolarHBondContact CG-ND2 3.33Å; E543-N588 VanDerWaalsContact O-CG 3.27Å; E543-N588 PolarHBondContact O-N 3.22Å; E543-N588 VanDerWaalsContact O-N 3.09Å; E543-N588 PolarHBondContact O-ND2 3.32Å; E543-N588 PolarHBondContact OE2-ND2 2.76Å; S545-N588 PolarHBondContact OG-OD1 2.81Å; N588-R594 PolarHBondContact O-NH2 2.73Å | ||
| 589 | A | 82.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -59.8 | 164.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N503 S540 N541 D587 R594 | N503-A589 HydrophobicContact CB-CB 4.29Å; N503-A589 WeakPolarHBondContact OD1-CB 3.34Å; S540-A589 PolarHBondContact O-N 2.89Å; S540-A589 VanDerWaalsContact O-N 3.14Å; N541-A589 VanDerWaalsContact OD1-CB 3.31Å; N541-A589 WeakPolarHBondContact OD1-CB 3.4Å; D587-A589 HydrophobicContact CB-CB 4.45Å; D587-A589 WeakPolarHBondContact OD1-CA 3.3Å; D587-A589 WeakPolarHBondContact OD1-CB 3.2Å; D587-A589 PolarHBondContact OD1-N 3.05Å; A589-R594 PolarHBondContact O-NE 3.12Å; A589-R594 PolarHBondContact O-NH2 2.96Å |
| 590 | P | 82.3 | Confident | 87.8 | Confident | 62 Ų | 62 | 48.5 Ų | 48.5 | 40% | 0.403 | 27% | 0.271 | S | S | . | . | trans | -54.7 | 144.4 | -178.4 | -26.9 | 36.4 | 0 | 0 | 0 | 112.5 | A592 E593 R594 | P590-A592 PolarHBondContact O-N 3.49Å; P590-E593 PolarHBondContact O-N 3.05Å; P590-R594 PolarHBondContact O-N 2.86Å | ||
| 591 | P | 80.6 | Confident | 87.8 | Confident | 123 Ų | 123 | 46.5 Ų | 46.5 | 80% | 0.799 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -1.3 | -174.8 | -26.5 | 35.5 | 0 | 0 | 0 | 117.4 | ||
| 592 | A | 80.5 | Confident | 87.8 | Confident | 98 Ų | 98 | 51.5 Ų | 51.5 | 81% | 0.81 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -20.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P590 | P590-A592 PolarHBondContact O-N 3.49Š|
| 593 | E | 80.5 | Confident | 87.6 | Confident | 115 Ų | 115 | 50.1 Ų | 50.1 | 54% | 0.537 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -14.6 | -175.1 | -74.1 | 150.6 | -159.2 | 0 | 0 | 112.3 | N503 P590 | N503-E593 PolarHBondContact ND2-O 2.92Å; P590-E593 PolarHBondContact O-N 3.05Å |
| 594 | R | 86.6 | Confident | 87.2 | Confident | 98 Ų | 98 | 54 Ų | 54 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | trans | -55.8 | 129.8 | 179.8 | 174.8 | 163.4 | -54.3 | 171.3 | 6.8 | 114.3 | D587 N588 A589 P590 | D587-R594 PolarHBondContact O-NE 3.28Å; D587-R594 WeakPolarHBondContact OD1-CA 3.4Å; D587-R594 WeakPolarHBondContact OD1-CB 3.44Å; D587-R594 WeakPolarHBondContact OD1-CG 3.27Å; D587-R594 IonicContact OD1-NE 2.7Å; D587-R594 PolarHBondContact OD1-NE 3.28Å; D587-R594 WeakPolarHBondContact OD2-CA 3.32Å; N588-R594 PolarHBondContact O-NH2 2.73Å; A589-R594 PolarHBondContact O-NE 3.12Å; A589-R594 PolarHBondContact O-NH2 2.96Å; P590-R594 PolarHBondContact O-N 2.86Å | ||
| 595 | R | 87.3 | Confident | 86.7 | Confident | 89 Ų | 89 | 52.5 Ų | 52.5 | 34% | 0.336 | 28% | 0.277 | S | S | . | . | trans | -114.7 | 159.9 | 178.8 | -58.4 | 169.4 | 174.2 | -133.2 | 14.4 | 110.2 | N503 D504 N505 T506 S586 D587 | N503-R595 PolarHBondContact O-NE 2.95Å; N503-R595 PolarHBondContact O-NH2 2.98Å; D504-R595 VanDerWaalsContact CA-NH2 3.28Å; D504-R595 PolarHBondContact O-NH1 3.16Å; D504-R595 PolarHBondContact O-NH2 2.69Å; D504-R595 VanDerWaalsContact O-NH2 3.08Å; N505-R595 WeakPolarHBondContact O-CD 3.39Å; N505-R595 PolarHBondContact O-NE 2.78Å; N505-R595 PolarHBondContact O-NH1 3.26Å; T506-R595 HydrophobicContact CG2-CB 4.15Å; T506-R595 WeakPolarHBondContact OG1-CD 3.35Å; T506-R595 PolarHBondContact OG1-NH1 3.5Å; S586-R595 WeakPolarHBondContact CA-O 3.49Å; D587-R595 PolarHBondContact N-O 3.08Å; D587-R595 WeakPolarHBondContact OD2-CA 3.18Å; D587-R595 PolarHBondContact OD2-N 2.85Å | ||
| 596 | H | 90.2 | Very high | 85.5 | Confident | 106 Ų | 106 | 55.5 Ų | 55.5 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 151.8 | -177.4 | 60.8 | 81.1 | 0 | 0 | 0 | 113.1 | Q584 A585 | Q584-H596 HydrophobicContact CG-CB 3.84Å; A585-H596 CarbonylContact O-C 3.59Å; A585-H596 WeakPolarHBondContact O-CA 3.34Å; A585-H596 VanDerWaalsContact O-CB 3.24Å; A585-H596 WeakPolarHBondContact O-CB 3.46Å |
| 597 | S | 91 | Very high | 83.9 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 169.2 | 166.2 | 78.3 | 0 | 0 | 0 | 0 | 111.7 | P507 F509 Q584 A585 | P507-S597 WeakPolarHBondContact O-CB 3.32Å; P507-S597 PolarHBondContact O-OG 2.79Å; F509-S597 VanDerWaalsContact CD2-OG 3.28Å; F509-S597 WeakPolarHBondContact CD2-OG 3.45Å; Q584-S597 WeakPolarHBondContact CA-O 3.49Å; Q584-S597 WeakPolarHBondContact CG-O 3.5Å; A585-S597 PolarHBondContact N-O 3.29Å; A585-S597 PolarHBondContact O-N 2.99Å |
| 598 | I | 90.9 | Very high | 82.3 | Confident | 96 Ų | 96 | 65.1 Ų | 65.1 | 49% | 0.492 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 147.5 | -178.3 | 58.1 | 172.8 | 0 | 0 | 0 | 111.9 | L549 T582 V583 Q584 | L549-I598 HydrophobicContact CD1-CG2 3.95Å; T582-I598 HydrophobicContact CG2-CB 4.43Å; V583-I598 CarbonylContact O-C 3.59Å; V583-I598 WeakPolarHBondContact O-CA 3.44Å; Q584-I598 HydrophobicContact CB-CG2 4.05Å; Q584-I598 HydrophobicContact CG-CG2 4.12Å |
| 599 | C | 90.2 | Very high | 80 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.014 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 166.7 | 171.7 | 68.7 | 0 | 0 | 0 | 0 | 110.8 | F509 I512 Y514 T582 V583 | F509-C599 HydrophobicContact CB-CB 4.36Å; F509-C599 HydrophobicContact CD2-CB 3.8Å; F509-C599 HydrophobicContact CE2-CB 4.18Å; F509-C599 HydrophobicContact CG-CB 4.03Å; I512-C599 VanDerWaalsContact O-CA 3.29Å; I512-C599 WeakPolarHBondContact O-CA 3.38Å; I512-C599 WeakPolarHBondContact O-CB 3.47Å; Y514-C599 HydrophobicContact CE2-CB 4.35Å; T582-C599 WeakPolarHBondContact CA-O 3.5Å; V583-C599 PolarHBondContact N-O 3.37Å; V583-C599 PolarHBondContact O-N 2.92Å |
| 600 | T | 89.1 | Confident | 77.9 | Confident | 38 Ų | 38 | 74.8 Ų | 74.8 | 23% | 0.233 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.5 | 179.4 | 56.9 | 0 | 0 | 0 | 0 | 114.5 | I512 S513 Y514 L581 T582 | I512-T600 PolarHBondContact O-N 2.74Å; S513-T600 CarbonylContact C-O 3.47Å; S513-T600 WeakPolarHBondContact CA-O 3.45Å; S513-T600 WeakPolarHBondContact CB-O 3.29Å; S513-T600 WeakPolarHBondContact CB-OG1 3.44Å; Y514-T600 PolarHBondContact N-O 2.69Å; L581-T600 CarbonylContact O-C 3.57Å; L581-T600 WeakPolarHBondContact O-CA 3.13Å; T582-T600 HydrophobicContact CG2-CG2 4.42Å |
| 601 | V | 88.4 | Confident | 76.2 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.1 | 177.6 | -173.4 | 0 | 0 | 0 | 0 | 111 | Y514 V516 I529 L531 A580 L581 I603 | Y514-V601 HydrophobicContact CD2-CG2 4.21Å; Y514-V601 CarbonylContact O-C 3.34Å; Y514-V601 WeakPolarHBondContact O-CA 3.35Å; V516-V601 HydrophobicContact CG2-CG1 3.92Å; I529-V601 HydrophobicContact CG2-CG1 3.99Å; I529-V601 HydrophobicContact CG2-CG2 4.4Å; L531-V601 HydrophobicContact CD1-CG2 4.1Å; L531-V601 HydrophobicContact CD2-CG2 4.18Å; A580-V601 CarbonylContact C-O 3.54Å; A580-V601 WeakPolarHBondContact CA-O 3.48Å; L581-V601 HydrophobicContact CB-CB 4.14Å; L581-V601 HydrophobicContact CD1-CB 4.36Å; L581-V601 HydrophobicContact CG-CB 4.3Å; L581-V601 PolarHBondContact N-O 2.89Å; L581-V601 PolarHBondContact O-N 3.05Å; V601-I603 HydrophobicContact CG1-CG1 4.27Å |
| 602 | Y | 88.9 | Confident | 74.7 | Confident | 106 Ų | 106 | 75.3 Ų | 75.3 | 42% | 0.416 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 142.6 | 175.9 | -59.9 | -78.1 | 0 | 0 | 0 | 112 | Y514 D515 V516 Y579 A580 | Y514-Y602 PolarHBondContact O-N 3.33Å; D515-Y602 WeakPolarHBondContact OD1-CB 3.2Å; D515-Y602 VanDerWaalsContact OD1-CD2 3.29Å; D515-Y602 WeakPolarHBondContact OD1-CD2 3.47Å; V516-Y602 PolarHBondContact N-O 3.36Å; Y579-Y602 WeakPolarHBondContact O-CA 3.32Å; A580-Y602 HydrophobicContact CB-CD1 3.66Å; A580-Y602 HydrophobicContact CB-CE1 3.67Å |
| 603 | I | 86.9 | Confident | 73.5 | Confident | 4 Ų | 4 | 73.7 Ų | 73.7 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 138.8 | -175.5 | -47.3 | 172.6 | 0 | 0 | 0 | 111.3 | V516 V518 V528 F556 T578 Y579 L581 V601 | V516-I603 HydrophobicContact CB-CG1 4.47Å; V516-I603 WeakPolarHBondContact O-CA 3.28Å; V518-I603 HydrophobicContact CB-CG2 4.42Å; V518-I603 HydrophobicContact CG1-CG2 3.95Å; V518-I603 HydrophobicContact CG2-CG2 3.58Å; V528-I603 HydrophobicContact CG1-CD1 3.98Å; F556-I603 HydrophobicContact CD1-CD1 4.01Å; F556-I603 HydrophobicContact CD2-CD1 3.99Å; F556-I603 HydrophobicContact CE1-CD1 3.8Å; F556-I603 HydrophobicContact CE1-CG2 4.44Å; F556-I603 HydrophobicContact CE2-CD1 3.78Å; F556-I603 HydrophobicContact CG-CD1 4.11Å; F556-I603 HydrophobicContact CZ-CB 4.47Å; F556-I603 HydrophobicContact CZ-CD1 3.68Å; F556-I603 HydrophobicContact CZ-CG2 3.88Å; T578-I603 CarbonylContact C-O 3.56Å; T578-I603 WeakPolarHBondContact CA-O 3.35Å; Y579-I603 HydrophobicContact CD2-CB 4.29Å; Y579-I603 PolarHBondContact N-O 2.84Å; Y579-I603 PolarHBondContact O-N 3.32Å; L581-I603 HydrophobicContact CD1-CD1 3.78Å; L581-I603 HydrophobicContact CD2-CD1 4.35Å; L581-I603 HydrophobicContact CG-CD1 3.97Å; V601-I603 HydrophobicContact CG1-CG1 4.27Å |
| 604 | E | 83 | Confident | 72.9 | Confident | 80 Ų | 80 | 69 Ų | 69 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 147.2 | -179.5 | 178.6 | 173.2 | -163.2 | 0 | 0 | 113.7 | V516 Y517 V518 T578 | V516-E604 PolarHBondContact O-N 2.91Å; Y517-E604 HydrophobicContact CD1-CB 4.16Å; Y517-E604 HydrophobicContact CE1-CB 4.44Å; V518-E604 WeakPolarHBondContact CG2-O 3.31Å; V518-E604 PolarHBondContact N-O 2.71Å; V518-E604 VanDerWaalsContact O-O 3.13Å; T578-E604 HydrophobicContact CG2-CB 4.06Å; T578-E604 HydrophobicContact CG2-CG 4.04Å |
| 605 | V | 80.8 | Confident | 72.5 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.1 | -168.2 | -170.7 | 0 | 0 | 0 | 0 | 115.5 | V518 T520 L573 I574 G576 Q577 Y579 | V518-V605 HydrophobicContact CG2-CB 4.42Å; V518-V605 HydrophobicContact CG2-CG2 3.78Å; V518-V605 WeakPolarHBondContact O-CA 3.45Å; T520-V605 HydrophobicContact CG2-CG1 3.54Å; L573-V605 HydrophobicContact CB-CG1 3.76Å; L573-V605 HydrophobicContact CB-CG2 4.26Å; L573-V605 HydrophobicContact CD2-CG2 4.49Å; I574-V605 WeakPolarHBondContact O-CB 3.29Å; I574-V605 WeakPolarHBondContact O-CG1 3.38Å; G576-V605 PolarHBondContact N-O 3.32Å; Q577-V605 HydrophobicContact CB-CG2 4.06Å; Q577-V605 PolarHBondContact O-N 2.66Å; Y579-V605 HydrophobicContact CE2-CG2 4.09Å |
| 606 | L | 66.6 | Low | 72.3 | Confident | 63 Ų | 63 | 69.5 Ų | 69.5 | 33% | 0.33 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 162.7 | -168.7 | -57.2 | 174.7 | 0 | 0 | 0 | 118.4 | V518 Y519 T520 | V518-L606 PolarHBondContact O-N 2.92Å; Y519-L606 HydrophobicContact CD1-CB 3.93Å; Y519-L606 HydrophobicContact CD1-CD1 4.4Å; Y519-L606 HydrophobicContact CE1-CB 4.18Å; Y519-L606 HydrophobicContact CE1-CD1 3.86Å; T520-L606 WeakPolarHBondContact CG2-O 3.44Å; T520-L606 PolarHBondContact N-O 2.82Å; T520-L606 PolarHBondContact OG1-O 2.92Å |
| 607 | P | 56.8 | Low | 71.7 | Confident | 88 Ų | 88 | 69.1 Ų | 69.1 | 57% | 0.571 | 37% | 0.367 | S | S | * | . | trans | -119.8 | 172 | -164.8 | 42.1 | -33.3 | 0 | 0 | 0 | 121.6 | V575 | V575-P607 HydrophobicContact CB-CB 4.44Å; V575-P607 HydrophobicContact CG1-CB 3.76Å; V575-P607 HydrophobicContact CG1-CG 3.84Å; V575-P607 HydrophobicContact CG2-CB 3.74Å | ||
| 608 | P | 56.8 | Low | 71 | Confident | 119 Ų | 119 | 73.1 Ų | 73.1 | 77% | 0.773 | 38% | 0.383 | S | S | * | . | trans | -104.6 | -179.2 | 174.8 | 2.6 | 21.6 | 0 | 0 | 0 | 118.7 | ||||
| 609 | N | 40.5 | Very low | 70.4 | Confident | 164 Ų | 164 | 74.2 Ų | 74.2 | 88% | 0.877 | 39% | 0.389 | S | S | * | . | trans | -159.1 | 161.1 | -158.1 | -161.1 | 8.5 | 0 | 0 | 0 | 123.3 | ||||
| 610 | N | 37.9 | Very low | 70 | Confident | 91 Ų | 91 | 81.3 Ų | 81.3 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | trans | 98.3 | 0 | 155.3 | -158.4 | 39.1 | 0 | 0 | 0 | 127.3 | D696 | N610-D696 PolarHBondContact ND2-OD2 3.41Å; N610-D696 PolarHBondContact OD1-OD2 3.01Å | ||
| 611 | Q | 45.9 | Very low | 69.8 | Low | 155 Ų | 155 | 82.3 Ų | 82.3 | 72% | 0.724 | 42% | 0.424 | S | S | * | . | 0 | -87.8 | 0 | -120.6 | 139.6 | 111.4 | 0 | 0 | 131.5 | D696 | Q611-D696 WeakPolarHBondContact O-CB 3.45Š| |||
| 612 | S | 51 | Low | 69.6 | Low | 40 Ų | 40 | 86.3 Ų | 86.3 | 28% | 0.28 | 45% | 0.452 | S | S | . | . | trans | -148.1 | 0 | -146.1 | -52.3 | 0 | 0 | 0 | 0 | 124 | R694 D696 G697 | S612-R694 WeakPolarHBondContact O-CD 3.45Å; S612-D696 CarbonylContact C-O 3.58Å; S612-G697 WeakPolarHBondContact O-CA 3.41Å | ||
| 613 | P | 54.5 | Low | 69.5 | Low | 65 Ų | 65 | 83.2 Ų | 83.2 | 42% | 0.422 | 44% | 0.442 | S | S | . | . | 0 | 173.4 | 0 | 34.6 | -13.3 | 0 | 0 | 0 | 127.5 | D692 D696 | P613-D692 WeakPolarHBondContact CA-OD2 3.37Å; P613-D696 WeakPolarHBondContact CB-O 3.49Å; P613-D696 WeakPolarHBondContact CD-O 3.3Å; P613-D696 WeakPolarHBondContact CG-O 3.44Å | |||
| 614 | P | 68.6 | Low | 69.4 | Low | 15 Ų | 15 | 91 Ų | 91 | 10% | 0.097 | 48% | 0.478 | C | S | . | . | trans | -91.2 | -165.1 | 173.7 | -10.1 | 31.4 | 0 | 0 | 0 | 120.9 | D642 D692 G697 S699 | P614-D642 HydrophobicContact CB-CB 3.99Å; P614-D642 HydrophobicContact CG-CB 4.34Å; P614-D692 WeakPolarHBondContact CD-OD2 3.48Å; P614-D692 HydrophobicContact CG-CB 3.76Å; P614-G697 VanDerWaalsContact CD-C 3.45Å; P614-G697 VanDerWaalsContact CD-O 3.32Å; P614-G697 WeakPolarHBondContact CD-O 3.42Å; P614-S699 WeakPolarHBondContact O-CB 3.2Å | ||
| 615 | R | 77.3 | Confident | 69.5 | Low | 182 Ų | 182 | 88.2 Ų | 88.2 | 69% | 0.687 | 47% | 0.467 | S | S | * | . | B | Isolated β-bridge | trans | -156.7 | 145.7 | -175.6 | -173.6 | 172.5 | 179.9 | -126.2 | -3 | 120.4 | A640 T641 S699 | R615-A640 WeakPolarHBondContact O-CB 3.3Å; R615-T641 PolarHBondContact N-O 3.04Å; R615-T641 PolarHBondContact O-N 3.49Å; R615-T641 VanDerWaalsContact O-O 3.07Å; R615-T641 PolarHBondContact O-OG1 2.79Å; R615-S699 WeakPolarHBondContact CA-OG 3.24Å; R615-S699 PolarHBondContact N-OG 2.91Å |
| 616 | F | 82.6 | Confident | 69.7 | Low | 16 Ų | 16 | 90.6 Ų | 90.6 | 7% | 0.07 | 48% | 0.484 | C | S | . | . | trans | -94.7 | 164.7 | 171 | -83.4 | -76 | 0 | 0 | 0 | 117.9 | A640 Y650 V688 T689 A690 S699 A701 | F616-A640 HydrophobicContact CD1-CB 3.71Å; F616-A640 HydrophobicContact CE1-CB 3.9Å; F616-A640 HydrophobicContact CG-CB 4.13Å; F616-A640 HydrophobicContact CZ-CB 4.49Å; F616-Y650 HydrophobicContact CE1-CD1 4.24Å; F616-Y650 HydrophobicContact CE1-CE1 4.17Å; F616-Y650 HydrophobicContact CZ-CD1 4.27Å; F616-V688 WeakPolarHBondContact CE2-O 3.3Å; F616-V688 HydrophobicContact CZ-CG1 4.09Å; F616-T689 VanDerWaalsContact CE2-C 3.49Å; F616-A690 HydrophobicContact CD2-CB 4.14Å; F616-A690 HydrophobicContact CE1-CB 4.21Å; F616-A690 HydrophobicContact CE2-CB 3.59Å; F616-A690 VanDerWaalsContact CE2-N 3.31Å; F616-A690 HydrophobicContact CZ-CB 3.62Å; F616-S699 WeakPolarHBondContact CE2-O 3.28Å; F616-A701 HydrophobicContact CD1-CB 4.38Å; F616-A701 HydrophobicContact CD2-CB 4.06Å; F616-A701 HydrophobicContact CE2-CB 4.27Å; F616-A701 HydrophobicContact CG-CB 4.13Å | ||
| 617 | P | 78.6 | Confident | 70.5 | Confident | 99 Ų | 99 | 88.8 Ų | 88.8 | 64% | 0.643 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -94.8 | -30 | 176.9 | -1.7 | 21.6 | 0 | 0 | 0 | 116.9 | Q639 | P617-Q639 WeakPolarHBondContact CD-O 3.35Å; P617-Q639 WeakPolarHBondContact CG-O 3.36Å |
| 618 | Q | 76.8 | Confident | 71.8 | Confident | 112 Ų | 112 | 88.9 Ų | 88.9 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | trans | -134.8 | 152.1 | 178.9 | -83.2 | -171.7 | -16.4 | 0 | 0 | 109.8 | Y621 A701 | Q618-Y621 HydrophobicContact CB-CE2 4.35Å; Q618-Y621 WeakPolarHBondContact CB-OH 3.2Å; Q618-Y621 PolarHBondContact OE1-OH 3.16Å; Q618-A701 WeakPolarHBondContact O-CB 3.3Å | ||
| 619 | L | 76.7 | Confident | 73 | Confident | 119 Ų | 119 | 87.2 Ų | 87.2 | 62% | 0.623 | 47% | 0.465 | S | S | * | . | trans | -110.3 | -14.6 | -171.1 | -62.5 | 173.4 | 0 | 0 | 0 | 114.7 | T702 | L619-T702 WeakPolarHBondContact O-CB 3.39Å; L619-T702 PolarHBondContact O-N 3.13Å; L619-T702 PolarHBondContact O-OG1 2.67Å | ||
| 620 | M | 82.2 | Confident | 75 | Confident | 151 Ų | 151 | 89.6 Ų | 89.6 | 74% | 0.744 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 141 | -174.2 | -63.1 | -170.9 | 78.8 | 0 | 0 | 114.7 | T702 | M620-T702 CarbonylContact C-O 3.54Å; M620-T702 WeakPolarHBondContact CA-O 3.46Å |
| 621 | Y | 84.3 | Confident | 77.2 | Confident | 58 Ų | 58 | 90.7 Ų | 90.7 | 23% | 0.227 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 163.1 | 177.1 | -56.7 | -91.9 | 0 | 0 | 0 | 111.7 | Q618 L636 L638 T702 V703 N704 | Q618-Y621 HydrophobicContact CB-CE2 4.35Å; Q618-Y621 WeakPolarHBondContact CB-OH 3.2Å; Q618-Y621 PolarHBondContact OE1-OH 3.16Å; Y621-L636 HydrophobicContact CD1-CD2 3.6Å; Y621-L636 HydrophobicContact CE1-CD2 4.26Å; Y621-L636 HydrophobicContact CG-CD2 3.99Å; Y621-L638 HydrophobicContact CD2-CD2 3.65Å; Y621-L638 HydrophobicContact CE1-CD2 4.15Å; Y621-L638 HydrophobicContact CE2-CD2 3.23Å; Y621-L638 HydrophobicContact CG-CD2 4.28Å; Y621-T702 WeakPolarHBondContact CD2-O 3.44Å; Y621-T702 PolarHBondContact N-O 2.65Å; Y621-V703 HydrophobicContact CD2-CG2 4.13Å; Y621-V703 CarbonylContact O-C 3.37Å; Y621-V703 WeakPolarHBondContact O-CA 3.37Å; Y621-N704 PolarHBondContact O-N 2.82Å |
| 622 | S | 85.2 | Confident | 78.8 | Confident | 84 Ų | 84 | 86 Ų | 86 | 59% | 0.587 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 149.5 | -178.2 | -165 | 0 | 0 | 0 | 0 | 116.5 | N704 | S622-N704 CarbonylContact C-O 3.58Å; S622-N704 VanDerWaalsContact CA-O 3.24Å; S622-N704 WeakPolarHBondContact CA-O 3.4Å; S622-N704 PolarHBondContact OG-ND2 3.45Å |
| 623 | L | 86.5 | Confident | 80.2 | Confident | 41 Ų | 41 | 85.7 Ų | 85.7 | 22% | 0.215 | 46% | 0.459 | C | S | . | . | trans | -158.4 | -176.5 | 173.3 | 66.6 | 128 | 0 | 0 | 0 | 114.4 | V625 L635 L636 N704 I705 | L623-V625 HydrophobicContact CD1-CG2 3.65Å; L623-L635 HydrophobicContact CD1-CD2 4.04Å; L623-L636 HydrophobicContact CD2-CD1 3.88Å; L623-N704 PolarHBondContact N-O 2.97Å; L623-I705 HydrophobicContact CD1-CG2 4.05Å; L623-I705 HydrophobicContact CD2-CD1 4.1Å; L623-I705 HydrophobicContact CD2-CG1 3.89Å; L623-I705 HydrophobicContact CG-CB 4.46Å; L623-I705 HydrophobicContact CG-CD1 4.48Å; L623-I705 HydrophobicContact CG-CG1 4Å; L623-I705 HydrophobicContact CG-CG2 4.21Å; L623-I705 WeakPolarHBondContact O-CA 3.48Å | ||
| 624 | E | 86 | Confident | 81.5 | Confident | 167 Ų | 167 | 89 Ų | 89 | 78% | 0.78 | 47% | 0.472 | S | S | * | . | trans | -134.2 | 148.3 | 178.6 | -66.7 | -178.6 | 167.2 | 0 | 0 | 112.3 | V706 | E624-V706 HydrophobicContact CG-CB 4.45Š| ||
| 625 | V | 84.9 | Confident | 82.3 | Confident | 22 Ų | 22 | 90.3 Ų | 90.3 | 13% | 0.133 | 48% | 0.478 | C | S | . | . | trans | -146.6 | 171.5 | -176.1 | -163.7 | 0 | 0 | 0 | 0 | 111 | L623 M629 L676 I705 V706 | L623-V625 HydrophobicContact CD1-CG2 3.65Å; V625-M629 HydrophobicContact CG1-CB 3.55Å; V625-M629 HydrophobicContact CG1-CE 4.17Å; V625-M629 HydrophobicContact CG1-CG 3.61Å; V625-L676 HydrophobicContact CB-CD1 3.99Å; V625-L676 HydrophobicContact CG1-CD1 3.39Å; V625-I705 HydrophobicContact CB-CG2 4.38Å; V625-I705 HydrophobicContact CG2-CG2 3.52Å; V625-V706 CarbonylContact C-O 3.4Å; V625-V706 WeakPolarHBondContact CA-O 3.35Å; V625-V706 PolarHBondContact N-O 2.85Å | ||
| 626 | S | 83.3 | Confident | 82.7 | Confident | 52 Ų | 52 | 83.4 Ų | 83.4 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | trans | -122.8 | 154.3 | 173.2 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | A628 M629 T708 | S626-A628 VanDerWaalsContact C-N 3.29Å; S626-A628 PolarHBondContact O-N 3.11Å; S626-M629 WeakPolarHBondContact O-CB 3.45Å; S626-M629 PolarHBondContact O-N 3.38Å; S626-M629 VanDerWaalsContact O-N 3.11Å; S626-T708 PolarHBondContact OG-OG1 2.72Å | ||
| 627 | E | 85.1 | Confident | 82.8 | Confident | 24 Ų | 24 | 86.9 Ų | 86.9 | 11% | 0.112 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -35.2 | -174.8 | 76.7 | -171.3 | 160.4 | 0 | 0 | 113.6 | M629 L676 R678 V707 T708 V710 | E627-M629 PolarHBondContact O-N 2.8Å; E627-L676 HydrophobicContact CB-CB 4.18Å; E627-L676 PolarHBondContact O-N 2.75Å; E627-R678 WeakPolarHBondContact OE2-CB 3.36Å; E627-R678 PolarHBondContact OE2-N 2.98Å; E627-V707 HydrophobicContact CB-CG1 3.82Å; E627-T708 WeakPolarHBondContact CB-O 3.49Å; E627-T708 WeakPolarHBondContact CG-O 3.29Å; E627-V710 VanDerWaalsContact OE1-CB 3.3Å; E627-V710 WeakPolarHBondContact OE1-CB 3.35Å; E627-V710 VanDerWaalsContact OE1-CG2 3.22Å; E627-V710 WeakPolarHBondContact OE1-CG2 3.33Å; E627-V710 PolarHBondContact OE1-N 2.96Å; E627-V710 VanDerWaalsContact OE1-N 3.12Å |
| 628 | A | 82.6 | Confident | 82.9 | Confident | 91 Ų | 91 | 82.4 Ų | 82.4 | 75% | 0.752 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 16.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S626 | S626-A628 VanDerWaalsContact C-N 3.29Å; S626-A628 PolarHBondContact O-N 3.11Å |
| 629 | M | 82.2 | Confident | 83.2 | Confident | 83 Ų | 83 | 82.3 Ų | 82.3 | 41% | 0.409 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 145.7 | -178.6 | -175.5 | 59.7 | 121.9 | 0 | 0 | 112.8 | V625 S626 E627 L672 L676 | V625-M629 HydrophobicContact CG1-CB 3.55Å; V625-M629 HydrophobicContact CG1-CE 4.17Å; V625-M629 HydrophobicContact CG1-CG 3.61Å; S626-M629 WeakPolarHBondContact O-CB 3.45Å; S626-M629 PolarHBondContact O-N 3.38Å; S626-M629 VanDerWaalsContact O-N 3.11Å; E627-M629 PolarHBondContact O-N 2.8Å; M629-L672 HydrophobicContact CB-CD2 4.05Å; M629-L672 HydrophobicContact CG-CD2 3.58Å; M629-L676 HydrophobicContact CB-CD1 4.35Å |
| 630 | R | 82.8 | Confident | 83.3 | Confident | 215 Ų | 215 | 77.4 Ų | 77.4 | 81% | 0.811 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 125.6 | -177.8 | -65.9 | -174.7 | -177.8 | -178.3 | 1.5 | 112.7 | ||
| 631 | I | 83.3 | Confident | 83.1 | Confident | 113 Ų | 113 | 74.3 Ų | 74.3 | 58% | 0.579 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | 135.4 | 166.4 | -56.3 | 174.7 | 0 | 0 | 0 | 110.7 | G673 | I631-G673 WeakPolarHBondContact CG2-O 3.46Š|
| 632 | G | 80.3 | Confident | 82.5 | Confident | 57 Ų | 57 | 73.4 Ų | 73.4 | 59% | 0.588 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.1 | -1.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L672 | G632-L672 WeakPolarHBondContact CA-O 3.35Å; G632-L672 PolarHBondContact N-O 2.82Å |
| 633 | A | 79.7 | Confident | 81.6 | Confident | 33 Ų | 33 | 79.4 Ų | 79.4 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | trans | -71.3 | 132.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S671 L672 | A633-S671 CarbonylContact O-C 3.6Å; A633-S671 WeakPolarHBondContact O-CA 3.39Å; A633-S671 WeakPolarHBondContact O-CB 3.4Å; A633-L672 HydrophobicContact CB-CB 4.43Å; A633-L672 PolarHBondContact O-N 2.89Å | ||
| 634 | I | 83.3 | Confident | 80.6 | Confident | 134 Ų | 134 | 82.2 Ų | 82.2 | 69% | 0.687 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 140.7 | 175.2 | -59.7 | 174.6 | 0 | 0 | 0 | 109.9 | I669 | I634-I669 HydrophobicContact CG2-CG2 4.06Å |
| 635 | L | 84.8 | Confident | 79.7 | Confident | 43 Ų | 43 | 77.4 Ų | 77.4 | 23% | 0.225 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -50.2 | -173 | -56 | 179 | 0 | 0 | 0 | 114.1 | L623 F661 L670 I705 | L623-L635 HydrophobicContact CD1-CD2 4.04Å; L635-F661 HydrophobicContact CD1-CD1 3.38Å; L635-F661 HydrophobicContact CD1-CE1 3.66Å; L635-F661 HydrophobicContact CD1-CG 4.48Å; L635-L670 HydrophobicContact CB-CD2 4.17Å; L635-L670 HydrophobicContact CB-CG 4.38Å; L635-L670 HydrophobicContact CD1-CD2 4.44Å; L635-L670 PolarHBondContact N-O 3.28Å; L635-I705 HydrophobicContact CD1-CD1 4.38Å |
| 636 | L | 85 | Confident | 78.9 | Confident | 38 Ų | 38 | 78.7 Ų | 78.7 | 20% | 0.199 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 176.4 | -168.3 | -98.3 | 156.2 | 0 | 0 | 0 | 113.6 | Y621 L623 I669 L670 V703 | Y621-L636 HydrophobicContact CD1-CD2 3.6Å; Y621-L636 HydrophobicContact CE1-CD2 4.26Å; Y621-L636 HydrophobicContact CG-CD2 3.99Å; L623-L636 HydrophobicContact CD2-CD1 3.88Å; L636-I669 WeakPolarHBondContact O-CA 3.36Å; L636-L670 HydrophobicContact CB-CB 3.92Å; L636-L670 HydrophobicContact CB-CD2 4.02Å; L636-L670 HydrophobicContact CD1-CD2 4.31Å; L636-L670 PolarHBondContact N-O 3.5Å; L636-L670 PolarHBondContact O-N 3.28Å; L636-V703 HydrophobicContact CD1-CG1 3.41Å; L636-V703 VanDerWaalsContact CD1-CG1 3.41Å; L636-V703 HydrophobicContact CD1-CG2 4.37Å |
| 637 | N | 85.2 | Confident | 78.5 | Confident | 89 Ų | 89 | 81.1 Ų | 81.1 | 48% | 0.476 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 130.9 | 178.1 | -175.9 | 20.3 | 0 | 0 | 0 | 112 | T667 G668 | N637-T667 PolarHBondContact OD1-O 2.69Å; N637-G668 CarbonylContact C-O 3.51Å; N637-G668 WeakPolarHBondContact CA-O 3.5Å |
| 638 | L | 81.9 | Confident | 78.2 | Confident | 4 Ų | 4 | 82.1 Ų | 82.1 | 2% | 0.021 | 45% | 0.453 | C | S | . | . | trans | -143.1 | 121.4 | -161.9 | -53.3 | 172.8 | 0 | 0 | 0 | 112.7 | Y621 L663 G668 V688 V703 | Y621-L638 HydrophobicContact CD2-CD2 3.65Å; Y621-L638 HydrophobicContact CE1-CD2 4.15Å; Y621-L638 HydrophobicContact CE2-CD2 3.23Å; Y621-L638 HydrophobicContact CG-CD2 4.28Å; L638-L663 HydrophobicContact CD1-CD1 4.13Å; L638-G668 PolarHBondContact N-O 2.65Å; L638-G668 WeakPolarHBondContact O-CA 3.33Å; L638-V688 HydrophobicContact CD1-CB 4.14Å; L638-V688 HydrophobicContact CD1-CG1 3.88Å; L638-V688 HydrophobicContact CD1-CG2 3.81Å; L638-V703 HydrophobicContact CD1-CG2 4.2Å | ||
| 639 | Q | 82.4 | Confident | 78.2 | Confident | 111 Ų | 111 | 81.4 Ų | 81.4 | 52% | 0.519 | 44% | 0.439 | S | S | . | . | trans | -137.8 | 153.7 | -174.6 | -63.7 | -176.1 | -14.4 | 0 | 0 | 113.5 | P617 Y650 T667 | P617-Q639 WeakPolarHBondContact CD-O 3.35Å; P617-Q639 WeakPolarHBondContact CG-O 3.36Å; Q639-Y650 WeakPolarHBondContact CA-OH 3.46Å; Q639-T667 PolarHBondContact NE2-O 2.69Å | ||
| 640 | A | 79.2 | Confident | 78.5 | Confident | 15 Ų | 15 | 78.6 Ų | 78.6 | 12% | 0.124 | 42% | 0.424 | C | S | . | . | trans | -141.6 | 179.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R615 F616 I648 Y650 A690 | R615-A640 WeakPolarHBondContact O-CB 3.3Å; F616-A640 HydrophobicContact CD1-CB 3.71Å; F616-A640 HydrophobicContact CE1-CB 3.9Å; F616-A640 HydrophobicContact CG-CB 4.13Å; F616-A640 HydrophobicContact CZ-CB 4.49Å; A640-I648 HydrophobicContact CB-CG2 4.36Å; A640-Y650 HydrophobicContact CB-CE1 3.71Å; A640-Y650 PolarHBondContact N-OH 3.09Å; A640-A690 HydrophobicContact CB-CB 3.45Å; A640-A690 VanDerWaalsContact CB-CB 3.45Å | ||
| 641 | T | 77.1 | Confident | 78.7 | Confident | 87 Ų | 87 | 70.6 Ų | 70.6 | 53% | 0.534 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -144.9 | 146.7 | -175 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | R615 I648 | R615-T641 PolarHBondContact N-O 3.04Å; R615-T641 PolarHBondContact O-N 3.49Å; R615-T641 VanDerWaalsContact O-O 3.07Å; R615-T641 PolarHBondContact O-OG1 2.79Å; T641-I648 VanDerWaalsContact C-CD1 3.48Å |
| 642 | D | 71.2 | Confident | 78.8 | Confident | 39 Ų | 39 | 67.1 Ų | 67.1 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | trans | -116.1 | 165.3 | 178.9 | -179.9 | 48.4 | 0 | 0 | 0 | 113.1 | P614 E644 G645 D646 I648 | P614-D642 HydrophobicContact CB-CB 3.99Å; P614-D642 HydrophobicContact CG-CB 4.34Å; D642-E644 PolarHBondContact OD2-N 2.84Å; D642-G645 PolarHBondContact OD2-N 3.45Å; D642-D646 PolarHBondContact OD2-N 3.07Å; D642-I648 HydrophobicContact CB-CD1 4.01Å; D642-I648 HydrophobicContact CB-CG1 3.96Å | ||
| 643 | R | 67.3 | Low | 78.9 | Confident | 209 Ų | 209 | 68.7 Ų | 68.7 | 79% | 0.789 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -97.7 | -49.1 | 179.7 | 178.2 | -172.2 | 161.6 | 149.6 | 7.8 | 114.2 | G645 | R643-G645 VanDerWaalsContact C-N 3.3Š|
| 644 | E | 65.6 | Low | 78.9 | Confident | 100 Ų | 100 | 71.7 Ų | 71.7 | 47% | 0.467 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -80.3 | -17.1 | -174.2 | -89.4 | 55.4 | -123.1 | 0 | 0 | 112 | D642 | D642-E644 PolarHBondContact OD2-N 2.84Š|
| 645 | G | 66.5 | Low | 78.7 | Confident | 66 Ų | 66 | 66.3 Ų | 66.3 | 68% | 0.68 | 37% | 0.367 | S | S | * | . | trans | 102.7 | 14.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D642 R643 | D642-G645 PolarHBondContact OD2-N 3.45Å; R643-G645 VanDerWaalsContact C-N 3.3Å | ||
| 646 | D | 67.4 | Low | 78.6 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | trans | -77.7 | 153.1 | -172.9 | -75.5 | -18.1 | 0 | 0 | 0 | 111.8 | D642 I648 D692 R694 | D642-D646 PolarHBondContact OD2-N 3.07Å; D646-I648 PolarHBondContact O-N 3.13Å; D646-D692 HydrophobicContact CB-CB 3.64Å; D646-R694 IonicContact OD2-CZ 3.33Å; D646-R694 IonicContact OD2-NE 2.62Å; D646-R694 PolarHBondContact OD2-NE 3.21Å; D646-R694 VanDerWaalsContact OD2-NE 3.16Å; D646-R694 IonicContact OD2-NH2 2.68Å; D646-R694 PolarHBondContact OD2-NH2 2.95Å | ||
| 647 | P | 75.7 | Confident | 78.2 | Confident | 103 Ų | 103 | 68.4 Ų | 68.4 | 67% | 0.669 | 39% | 0.385 | S | S | * | . | trans | -69.8 | 113.2 | -172 | -20.2 | 34.4 | 0 | 0 | 0 | 113.3 | T649 | P647-T649 PolarHBondContact O-N 3.01Š| ||
| 648 | I | 77.9 | Confident | 77.8 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 23% | 0.231 | 38% | 0.38 | C | S | . | . | trans | -73 | 127.1 | -177.5 | -51.3 | 175.1 | 0 | 0 | 0 | 111.5 | A640 T641 D642 D646 Y650 A690 S691 | A640-I648 HydrophobicContact CB-CG2 4.36Å; T641-I648 VanDerWaalsContact C-CD1 3.48Å; D642-I648 HydrophobicContact CB-CD1 4.01Å; D642-I648 HydrophobicContact CB-CG1 3.96Å; D646-I648 PolarHBondContact O-N 3.13Å; I648-Y650 HydrophobicContact CG2-CE1 4.33Å; I648-A690 HydrophobicContact CG2-CB 3.82Å; I648-S691 CarbonylContact C-O 3.5Å; I648-S691 WeakPolarHBondContact CA-O 3.46Å | ||
| 649 | T | 84.6 | Confident | 77.9 | Confident | 76 Ų | 76 | 77 Ų | 77 | 47% | 0.466 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133 | 172.9 | 51.7 | 0 | 0 | 0 | 0 | 111.2 | P647 A690 S691 | P647-T649 PolarHBondContact O-N 3.01Å; T649-A690 WeakPolarHBondContact O-CA 3.47Å; T649-S691 PolarHBondContact N-O 2.83Å; T649-S691 PolarHBondContact O-N 2.62Å; T649-S691 PolarHBondContact OG1-O 2.59Å; T649-S691 VanDerWaalsContact OG1-O 3.14Å |
| 650 | Y | 87.6 | Confident | 77.9 | Confident | 23 Ų | 23 | 71.8 Ų | 71.8 | 9% | 0.09 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134 | 174.6 | -57.3 | -73.3 | 0 | 0 | 0 | 111.3 | F616 Q639 A640 I648 E665 T689 A690 | F616-Y650 HydrophobicContact CE1-CD1 4.24Å; F616-Y650 HydrophobicContact CE1-CE1 4.17Å; F616-Y650 HydrophobicContact CZ-CD1 4.27Å; Q639-Y650 WeakPolarHBondContact CA-OH 3.46Å; A640-Y650 HydrophobicContact CB-CE1 3.71Å; A640-Y650 PolarHBondContact N-OH 3.09Å; I648-Y650 HydrophobicContact CG2-CE1 4.33Å; Y650-E665 VanDerWaalsContact CD2-O 3.3Å; Y650-E665 WeakPolarHBondContact CD2-O 3.36Å; Y650-E665 PolarHBondContact N-O 3.37Å; Y650-E665 WeakPolarHBondContact O-CA 3.38Å; Y650-T689 WeakPolarHBondContact CA-O 3.5Å; Y650-A690 HydrophobicContact CD1-CB 4.29Å; Y650-A690 HydrophobicContact CE1-CB 4.3Å |
| 651 | A | 86.6 | Confident | 78.3 | Confident | 47 Ų | 47 | 71.3 Ų | 71.3 | 39% | 0.388 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 152.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E653 V688 T689 | A651-E653 PolarHBondContact O-N 2.96Å; A651-V688 CarbonylContact O-C 3.55Å; A651-V688 WeakPolarHBondContact O-CA 3.48Å; A651-V688 WeakPolarHBondContact O-CG1 3.4Å; A651-T689 PolarHBondContact N-O 3.49Å; A651-T689 VanDerWaalsContact N-O 3.1Å; A651-T689 PolarHBondContact O-N 2.84Å; A651-T689 PolarHBondContact O-OG1 2.65Å |
| 652 | I | 85.5 | Confident | 78.8 | Confident | 40 Ų | 40 | 71.6 Ų | 71.6 | 21% | 0.205 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 106.8 | 162.8 | -51 | 176.7 | 0 | 0 | 0 | 106.3 | N654 D656 F661 L663 L670 L686 I687 V688 | I652-N654 VanDerWaalsContact CG2-O 3.28Å; I652-N654 WeakPolarHBondContact CG2-O 3.31Å; I652-D656 HydrophobicContact CD1-CB 4.19Å; I652-D656 HydrophobicContact CG2-CB 3.82Å; I652-F661 HydrophobicContact CD1-CB 4.12Å; I652-F661 WeakPolarHBondContact CD1-O 3.3Å; I652-L663 HydrophobicContact CD1-CB 4Å; I652-L663 HydrophobicContact CG1-CB 3.71Å; I652-L663 HydrophobicContact CG1-CD2 3.93Å; I652-L663 HydrophobicContact CG1-CG 4.44Å; I652-L670 HydrophobicContact CD1-CD1 3.8Å; I652-L686 HydrophobicContact CG2-CB 4.03Å; I652-I687 CarbonylContact C-O 3.52Å; I652-I687 WeakPolarHBondContact CA-O 3.12Å; I652-I687 WeakPolarHBondContact CG2-O 3.18Å; I652-V688 HydrophobicContact CG1-CG2 4.47Å |
| 653 | E | 81.8 | Confident | 79.5 | Confident | 90 Ų | 90 | 71 Ų | 71 | 42% | 0.421 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | -42.4 | 179.4 | -179.2 | -173 | -161.6 | 0 | 0 | 111.5 | A651 I687 T689 T700 | A651-E653 PolarHBondContact O-N 2.96Å; E653-I687 HydrophobicContact CB-CB 4.4Å; E653-I687 PolarHBondContact N-O 2.85Å; E653-I687 WeakPolarHBondContact OE2-CG2 3.47Å; E653-T689 HydrophobicContact CB-CG2 3.65Å; E653-T689 HydrophobicContact CG-CG2 3.82Å; E653-T700 WeakPolarHBondContact OE2-CG2 3.35Å |
| 654 | N | 80 | Confident | 80.5 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 170.1 | -168.6 | -119.7 | -51.2 | 0 | 0 | 0 | 111.8 | I652 D656 L686 I687 | I652-N654 VanDerWaalsContact CG2-O 3.28Å; I652-N654 WeakPolarHBondContact CG2-O 3.31Å; N654-D656 PolarHBondContact O-N 2.92Å; N654-L686 CarbonylContact O-C 3.54Å; N654-L686 VanDerWaalsContact O-CA 3.3Å; N654-L686 WeakPolarHBondContact O-CA 3.46Å; N654-I687 HydrophobicContact CB-CB 3.83Å; N654-I687 HydrophobicContact CB-CD1 3.77Å; N654-I687 HydrophobicContact CB-CG1 3.79Å; N654-I687 PolarHBondContact N-O 3.13Å; N654-I687 VanDerWaalsContact N-O 3.16Å; N654-I687 PolarHBondContact O-N 3.46Å |
| 655 | G | 79.1 | Confident | 81.3 | Confident | 20 Ų | 20 | 65 Ų | 65 | 21% | 0.206 | 36% | 0.364 | C | S | . | . | S | Bend | trans | 71.5 | -5.8 | 174 | 0 | 0 | 0 | 0 | 0 | 116.4 | I685 | G655-I685 WeakPolarHBondContact CA-O 3.47Š|
| 656 | D | 83.4 | Confident | 82 | Confident | 13 Ų | 13 | 67.4 Ų | 67.4 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | trans | -117.9 | 62.7 | 159.2 | -169.6 | 11.2 | 0 | 0 | 0 | 112.3 | I652 N654 Q658 R659 V660 F661 L686 | I652-D656 HydrophobicContact CD1-CB 4.19Å; I652-D656 HydrophobicContact CG2-CB 3.82Å; N654-D656 PolarHBondContact O-N 2.92Å; D656-Q658 PolarHBondContact O-N 3.33Å; D656-R659 PolarHBondContact O-N 3.25Å; D656-R659 VanDerWaalsContact O-N 3.16Å; D656-R659 WeakPolarHBondContact OD1-CA 3.34Å; D656-R659 PolarHBondContact OD1-N 2.9Å; D656-R659 VanDerWaalsContact OD1-N 3.08Å; D656-R659 VanDerWaalsContact OD2-CA 3.26Å; D656-R659 WeakPolarHBondContact OD2-CA 3.12Å; D656-V660 VanDerWaalsContact CG-N 3.29Å; D656-V660 PolarHBondContact OD1-N 2.75Å; D656-V660 PolarHBondContact OD2-N 2.97Å; D656-F661 HydrophobicContact CB-CD2 4.12Å; D656-F661 WeakPolarHBondContact OD2-CA 3.16Å; D656-F661 PolarHBondContact OD2-N 3.35Å; D656-L686 HydrophobicContact CB-CD2 4.18Å | ||
| 657 | P | 75.9 | Confident | 82.7 | Confident | 112 Ų | 112 | 67.6 Ų | 67.6 | 73% | 0.727 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.4 | -175.8 | 27.3 | -35.7 | 0 | 0 | 0 | 112.9 | ||
| 658 | Q | 76.9 | Confident | 83 | Confident | 79 Ų | 79 | 62.7 Ų | 62.7 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -4.3 | -179.7 | -61.7 | -170.1 | 13.9 | 0 | 0 | 113.7 | D656 V660 K674 | D656-Q658 PolarHBondContact O-N 3.33Å; Q658-V660 HydrophobicContact CB-CG2 3.67Å; Q658-K674 VanDerWaalsContact O-CE 3.29Å; Q658-K674 WeakPolarHBondContact O-CE 3.15Å; Q658-K674 PolarHBondContact O-NZ 2.92Å |
| 659 | R | 83.4 | Confident | 83.4 | Confident | 196 Ų | 196 | 63.9 Ų | 63.9 | 74% | 0.74 | 34% | 0.344 | S | S | * | . | trans | 54.7 | 50.2 | -169.1 | -58 | -174.4 | -176.2 | -175.5 | -0.2 | 112.1 | D656 F661 K674 | D656-R659 PolarHBondContact O-N 3.25Å; D656-R659 VanDerWaalsContact O-N 3.16Å; D656-R659 WeakPolarHBondContact OD1-CA 3.34Å; D656-R659 PolarHBondContact OD1-N 2.9Å; D656-R659 VanDerWaalsContact OD1-N 3.08Å; D656-R659 VanDerWaalsContact OD2-CA 3.26Å; D656-R659 WeakPolarHBondContact OD2-CA 3.12Å; R659-F661 VanDerWaalsContact C-N 3.26Å; R659-K674 WeakPolarHBondContact O-CD 3.2Å; R659-K674 WeakPolarHBondContact O-CE 3.36Å; R659-K674 WeakPolarHBondContact O-CG 3.23Å | ||
| 660 | V | 84.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -74.7 | -20.4 | 172.5 | -169 | 0 | 0 | 0 | 0 | 111 | D656 Q658 L672 G673 K674 L676 Y684 | D656-V660 VanDerWaalsContact CG-N 3.29Å; D656-V660 PolarHBondContact OD1-N 2.75Å; D656-V660 PolarHBondContact OD2-N 2.97Å; Q658-V660 HydrophobicContact CB-CG2 3.67Å; V660-L672 HydrophobicContact CG1-CD1 3.83Å; V660-L672 CarbonylContact O-C 3.52Å; V660-L672 WeakPolarHBondContact O-CD1 3.39Å; V660-G673 WeakPolarHBondContact O-CA 3.44Å; V660-G673 PolarHBondContact O-N 2.83Å; V660-K674 HydrophobicContact CG1-CB 4.28Å; V660-K674 PolarHBondContact O-N 3.4Å; V660-K674 VanDerWaalsContact O-N 3.14Å; V660-L676 HydrophobicContact CG1-CD2 3.67Å; V660-L676 HydrophobicContact CG1-CG 4.02Å; V660-Y684 HydrophobicContact CB-CE1 4.2Å; V660-Y684 HydrophobicContact CG2-CE1 3.6Å | ||
| 661 | F | 87 | Confident | 83.6 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 2% | 0.022 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.7 | 179.1 | -47.4 | -75.8 | 0 | 0 | 0 | 111.6 | L635 I652 D656 R659 L670 S671 L672 Y684 L686 I705 | L635-F661 HydrophobicContact CD1-CD1 3.38Å; L635-F661 HydrophobicContact CD1-CE1 3.66Å; L635-F661 HydrophobicContact CD1-CG 4.48Å; I652-F661 HydrophobicContact CD1-CB 4.12Å; I652-F661 WeakPolarHBondContact CD1-O 3.3Å; D656-F661 HydrophobicContact CB-CD2 4.12Å; D656-F661 WeakPolarHBondContact OD2-CA 3.16Å; D656-F661 PolarHBondContact OD2-N 3.35Å; R659-F661 VanDerWaalsContact C-N 3.26Å; F661-L670 HydrophobicContact CB-CD1 3.79Å; F661-L670 HydrophobicContact CB-CG 4.37Å; F661-S671 CarbonylContact C-O 3.23Å; F661-S671 WeakPolarHBondContact CA-O 3.07Å; F661-S671 WeakPolarHBondContact CB-O 3.4Å; F661-L672 HydrophobicContact CD1-CD1 3.77Å; F661-L672 HydrophobicContact CE1-CD1 3.46Å; F661-L672 VanDerWaalsContact CE1-CD1 3.46Å; F661-L672 HydrophobicContact CZ-CD1 4.35Å; F661-Y684 AromaticContact CE2-CD1 3.7Å; F661-Y684 HydrophobicContact CE2-CD1 3.7Å; F661-Y684 HydrophobicContact CE2-CD2 4.22Å; F661-Y684 HydrophobicContact CE2-CE1 4.35Å; F661-Y684 AromaticContact CE2-CG 3.63Å; F661-Y684 HydrophobicContact CE2-CG 3.63Å; F661-Y684 HydrophobicContact CZ-CD1 4.45Å; F661-Y684 HydrophobicContact CZ-CD2 4.19Å; F661-Y684 HydrophobicContact CZ-CG 4.04Å; F661-L686 HydrophobicContact CB-CD1 4.34Å; F661-L686 HydrophobicContact CD2-CD1 3.85Å; F661-L686 HydrophobicContact CD2-CD2 3.56Å; F661-L686 HydrophobicContact CD2-CG 4.4Å; F661-L686 HydrophobicContact CE2-CD1 4.48Å; F661-L686 HydrophobicContact CE2-CD2 3.6Å; F661-L686 HydrophobicContact CG-CD1 4.12Å; F661-I705 HydrophobicContact CD1-CD1 4.14Å; F661-I705 HydrophobicContact CD2-CD1 4.36Å; F661-I705 HydrophobicContact CE1-CD1 3.62Å; F661-I705 HydrophobicContact CE2-CD1 3.92Å; F661-I705 HydrophobicContact CG-CD1 4.48Å; F661-I705 HydrophobicContact CZ-CD1 3.52Å; F661-I705 HydrophobicContact CZ-CG2 4.19Å |
| 662 | N | 87.8 | Confident | 83.7 | Confident | 94 Ų | 94 | 58.3 Ų | 58.3 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 114.6 | 173.3 | -68.9 | -32.6 | 0 | 0 | 0 | 109.2 | L670 S671 G673 | N662-L670 CarbonylContact O-C 3.19Å; N662-L670 WeakPolarHBondContact O-CA 3.29Å; N662-S671 PolarHBondContact N-O 3.4Å; N662-S671 PolarHBondContact O-N 2.81Å; N662-S671 PolarHBondContact O-OG 2.79Å; N662-S671 VanDerWaalsContact O-OG 3.09Å; N662-G673 WeakPolarHBondContact ND2-CA 3.45Å |
| 663 | L | 86.1 | Confident | 83.5 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 13% | 0.131 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 136.3 | 167.6 | -176.3 | 70.4 | 0 | 0 | 0 | 110.1 | L638 I652 E665 G668 I669 L670 V688 | L638-L663 HydrophobicContact CD1-CD1 4.13Å; I652-L663 HydrophobicContact CD1-CB 4Å; I652-L663 HydrophobicContact CG1-CB 3.71Å; I652-L663 HydrophobicContact CG1-CD2 3.93Å; I652-L663 HydrophobicContact CG1-CG 4.44Å; L663-E665 PolarHBondContact O-N 3.02Å; L663-G668 WeakPolarHBondContact CD1-O 3.47Å; L663-I669 CarbonylContact C-O 3.54Å; L663-I669 WeakPolarHBondContact CA-O 3.41Å; L663-L670 HydrophobicContact CB-CD1 4.15Å; L663-L670 HydrophobicContact CD1-CB 4.19Å; L663-L670 HydrophobicContact CD1-CD1 4.22Å; L663-V688 HydrophobicContact CD2-CG1 3.56Å |
| 664 | S | 86.8 | Confident | 83.6 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 28% | 0.28 | 31% | 0.307 | S | S | . | . | trans | -82.9 | 108.7 | 176.1 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | T666 T667 G668 I669 | S664-T666 PolarHBondContact O-N 2.94Å; S664-T667 WeakPolarHBondContact CB-OG1 3.47Å; S664-T667 PolarHBondContact O-N 2.85Å; S664-T667 VanDerWaalsContact O-N 3.13Å; S664-T667 PolarHBondContact OG-OG1 3.19Å; S664-G668 PolarHBondContact O-N 3.34Å; S664-I669 PolarHBondContact N-O 3.34Å | ||
| 665 | E | 82.9 | Confident | 83.7 | Confident | 143 Ų | 143 | 56 Ų | 56 | 67% | 0.668 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -26.2 | -176.5 | -62.6 | 171.5 | -178 | 0 | 0 | 115.8 | Y650 L663 | Y650-E665 VanDerWaalsContact CD2-O 3.3Å; Y650-E665 WeakPolarHBondContact CD2-O 3.36Å; Y650-E665 PolarHBondContact N-O 3.37Å; Y650-E665 WeakPolarHBondContact O-CA 3.38Å; L663-E665 PolarHBondContact O-N 3.02Å |
| 666 | T | 80.4 | Confident | 84 | Confident | 117 Ų | 117 | 55.7 Ų | 55.7 | 72% | 0.718 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | -13.2 | -175.7 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | S664 | S664-T666 PolarHBondContact O-N 2.94Š|
| 667 | T | 82.2 | Confident | 84 | Confident | 55 Ų | 55 | 58 Ų | 58 | 34% | 0.337 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | -22 | -174.5 | 71.9 | 0 | 0 | 0 | 0 | 114.9 | N637 Q639 S664 | N637-T667 PolarHBondContact OD1-O 2.69Å; Q639-T667 PolarHBondContact NE2-O 2.69Å; S664-T667 WeakPolarHBondContact CB-OG1 3.47Å; S664-T667 PolarHBondContact O-N 2.85Å; S664-T667 VanDerWaalsContact O-N 3.13Å; S664-T667 PolarHBondContact OG-OG1 3.19Å |
| 668 | G | 82.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | 93.2 | -2.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | N637 L638 L663 S664 | N637-G668 CarbonylContact C-O 3.51Å; N637-G668 WeakPolarHBondContact CA-O 3.5Å; L638-G668 PolarHBondContact N-O 2.65Å; L638-G668 WeakPolarHBondContact O-CA 3.33Å; L663-G668 WeakPolarHBondContact CD1-O 3.47Å; S664-G668 PolarHBondContact O-N 3.34Å | ||
| 669 | I | 86.9 | Confident | 84.8 | Confident | 70 Ų | 70 | 54 Ų | 54 | 36% | 0.359 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 126.7 | -172.5 | -59.4 | 171.4 | 0 | 0 | 0 | 111.2 | I634 L636 L663 S664 | I634-I669 HydrophobicContact CG2-CG2 4.06Å; L636-I669 WeakPolarHBondContact O-CA 3.36Å; L663-I669 CarbonylContact C-O 3.54Å; L663-I669 WeakPolarHBondContact CA-O 3.41Å; S664-I669 PolarHBondContact N-O 3.34Å |
| 670 | L | 87.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.8 | 176.6 | -172.7 | 77.2 | 0 | 0 | 0 | 110.9 | L635 L636 I652 F661 N662 L663 L686 V703 | L635-L670 HydrophobicContact CB-CD2 4.17Å; L635-L670 HydrophobicContact CB-CG 4.38Å; L635-L670 HydrophobicContact CD1-CD2 4.44Å; L635-L670 PolarHBondContact N-O 3.28Å; L636-L670 HydrophobicContact CB-CB 3.92Å; L636-L670 HydrophobicContact CB-CD2 4.02Å; L636-L670 HydrophobicContact CD1-CD2 4.31Å; L636-L670 PolarHBondContact N-O 3.5Å; L636-L670 PolarHBondContact O-N 3.28Å; I652-L670 HydrophobicContact CD1-CD1 3.8Å; F661-L670 HydrophobicContact CB-CD1 3.79Å; F661-L670 HydrophobicContact CB-CG 4.37Å; N662-L670 CarbonylContact O-C 3.19Å; N662-L670 WeakPolarHBondContact O-CA 3.29Å; L663-L670 HydrophobicContact CB-CD1 4.15Å; L663-L670 HydrophobicContact CD1-CB 4.19Å; L663-L670 HydrophobicContact CD1-CD1 4.22Å; L670-L686 HydrophobicContact CD1-CD1 3.93Å; L670-L686 HydrophobicContact CD2-CD1 3.63Å; L670-L686 HydrophobicContact CG-CD1 4.4Å; L670-V703 HydrophobicContact CD2-CG1 4.23Å |
| 671 | S | 89.4 | Confident | 84.4 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 163.6 | 180 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | A633 F661 N662 | A633-S671 CarbonylContact O-C 3.6Å; A633-S671 WeakPolarHBondContact O-CA 3.39Å; A633-S671 WeakPolarHBondContact O-CB 3.4Å; F661-S671 CarbonylContact C-O 3.23Å; F661-S671 WeakPolarHBondContact CA-O 3.07Å; F661-S671 WeakPolarHBondContact CB-O 3.4Å; N662-S671 PolarHBondContact N-O 3.4Å; N662-S671 PolarHBondContact O-N 2.81Å; N662-S671 PolarHBondContact O-OG 2.79Å; N662-S671 VanDerWaalsContact O-OG 3.09Å |
| 672 | L | 87.4 | Confident | 84 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 115.9 | 177.6 | -170.9 | 73.3 | 0 | 0 | 0 | 110.9 | M629 G632 A633 V660 F661 K674 L676 | M629-L672 HydrophobicContact CB-CD2 4.05Å; M629-L672 HydrophobicContact CG-CD2 3.58Å; G632-L672 WeakPolarHBondContact CA-O 3.35Å; G632-L672 PolarHBondContact N-O 2.82Å; A633-L672 HydrophobicContact CB-CB 4.43Å; A633-L672 PolarHBondContact O-N 2.89Å; V660-L672 HydrophobicContact CG1-CD1 3.83Å; V660-L672 CarbonylContact O-C 3.52Å; V660-L672 WeakPolarHBondContact O-CD1 3.39Å; F661-L672 HydrophobicContact CD1-CD1 3.77Å; F661-L672 HydrophobicContact CE1-CD1 3.46Å; F661-L672 VanDerWaalsContact CE1-CD1 3.46Å; F661-L672 HydrophobicContact CZ-CD1 4.35Å; L672-K674 VanDerWaalsContact CG-O 3.3Å; L672-K674 WeakPolarHBondContact CG-O 3.41Å; L672-L676 HydrophobicContact CD1-CD1 4.14Å; L672-L676 HydrophobicContact CD1-CG 4.34Å |
| 673 | G | 82 | Confident | 83.9 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | trans | -96.2 | -21.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | I631 V660 N662 | I631-G673 WeakPolarHBondContact CG2-O 3.46Å; V660-G673 WeakPolarHBondContact O-CA 3.44Å; V660-G673 PolarHBondContact O-N 2.83Å; N662-G673 WeakPolarHBondContact ND2-CA 3.45Å | ||
| 674 | K | 83.4 | Confident | 83.9 | Confident | 98 Ų | 98 | 53.2 Ų | 53.2 | 43% | 0.426 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -134.6 | 168 | 177.6 | -61.7 | -178.4 | 177.5 | -176.5 | 0 | 112.7 | Q658 R659 V660 L672 | Q658-K674 VanDerWaalsContact O-CE 3.29Å; Q658-K674 WeakPolarHBondContact O-CE 3.15Å; Q658-K674 PolarHBondContact O-NZ 2.92Å; R659-K674 WeakPolarHBondContact O-CD 3.2Å; R659-K674 WeakPolarHBondContact O-CE 3.36Å; R659-K674 WeakPolarHBondContact O-CG 3.23Å; V660-K674 HydrophobicContact CG1-CB 4.28Å; V660-K674 PolarHBondContact O-N 3.4Å; V660-K674 VanDerWaalsContact O-N 3.14Å; L672-K674 VanDerWaalsContact CG-O 3.3Å; L672-K674 WeakPolarHBondContact CG-O 3.41Å |
| 675 | A | 82.5 | Confident | 83.9 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 51% | 0.512 | 30% | 0.296 | S | S | . | . | trans | -63.8 | 161 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 676 | L | 84.9 | Confident | 84.2 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | trans | -108.2 | 161.6 | 177.9 | -78.2 | 158.4 | 0 | 0 | 0 | 109 | V625 E627 M629 V660 L672 Y684 V707 | V625-L676 HydrophobicContact CB-CD1 3.99Å; V625-L676 HydrophobicContact CG1-CD1 3.39Å; E627-L676 HydrophobicContact CB-CB 4.18Å; E627-L676 PolarHBondContact O-N 2.75Å; M629-L676 HydrophobicContact CB-CD1 4.35Å; V660-L676 HydrophobicContact CG1-CD2 3.67Å; V660-L676 HydrophobicContact CG1-CG 4.02Å; L672-L676 HydrophobicContact CD1-CD1 4.14Å; L672-L676 HydrophobicContact CD1-CG 4.34Å; L676-Y684 HydrophobicContact CD2-CD2 4.03Å; L676-Y684 HydrophobicContact CD2-CE2 3.27Å; L676-V707 HydrophobicContact CB-CG1 4.17Å; L676-V707 HydrophobicContact CD2-CG2 4.08Å | ||
| 677 | D | 84.2 | Confident | 84.4 | Confident | 61 Ų | 61 | 45.5 Ų | 45.5 | 33% | 0.326 | 24% | 0.243 | S | C | . | . | trans | -153.4 | 118.4 | -173.3 | 158.8 | -5.1 | 0 | 0 | 0 | 105.7 | E679 S680 T681 | D677-E679 PolarHBondContact OD1-N 3Å; D677-E679 VanDerWaalsContact OD1-N 3.14Å; D677-S680 VanDerWaalsContact CG-OG 3.25Å; D677-S680 WeakPolarHBondContact OD1-CB 3.42Å; D677-S680 PolarHBondContact OD1-N 3.23Å; D677-S680 PolarHBondContact OD1-OG 2.88Å; D677-S680 VanDerWaalsContact OD2-CB 3.23Å; D677-S680 WeakPolarHBondContact OD2-CB 3.44Å; D677-S680 PolarHBondContact OD2-OG 3.18Å; D677-T681 PolarHBondContact O-N 3.15Å | ||
| 678 | R | 85.3 | Confident | 84.7 | Confident | 56 Ų | 56 | 43 Ų | 43 | 21% | 0.211 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -30.9 | -173.8 | -170.5 | -122.7 | 40.8 | 95 | -26.3 | 112.6 | E627 S680 T681 V707 T708 D709 | E627-R678 WeakPolarHBondContact OE2-CB 3.36Å; E627-R678 PolarHBondContact OE2-N 2.98Å; R678-S680 PolarHBondContact O-N 2.81Å; R678-T681 CarbonylContact O-C 3.5Å; R678-T681 PolarHBondContact O-N 2.93Å; R678-V707 HydrophobicContact CB-CG1 4.11Å; R678-T708 WeakPolarHBondContact CB-O 3.44Å; R678-D709 IonicContact CZ-OD1 3.31Å; R678-D709 VanDerWaalsContact CZ-OD1 3.31Å; R678-D709 IonicContact NE-OD1 2.94Å; R678-D709 PolarHBondContact NE-OD1 3.16Å; R678-D709 IonicContact NH2-OD1 2.92Å; R678-D709 PolarHBondContact NH2-OD1 3.12Å |
| 679 | E | 83.8 | Confident | 84.8 | Confident | 51 Ų | 51 | 43.8 Ų | 43.8 | 24% | 0.238 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -37.6 | 175.6 | -71.6 | 56.7 | -126.8 | 0 | 0 | 109.8 | D677 D709 | D677-E679 PolarHBondContact OD1-N 3Å; D677-E679 VanDerWaalsContact OD1-N 3.14Å; E679-D709 VanDerWaalsContact OE1-OD1 3.07Å |
| 680 | S | 78.8 | Confident | 84.6 | Confident | 65 Ų | 65 | 40.4 Ų | 40.4 | 46% | 0.455 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -45.8 | 167.6 | -73.7 | 0 | 0 | 0 | 0 | 113.9 | D677 R678 | D677-S680 VanDerWaalsContact CG-OG 3.25Å; D677-S680 WeakPolarHBondContact OD1-CB 3.42Å; D677-S680 PolarHBondContact OD1-N 3.23Å; D677-S680 PolarHBondContact OD1-OG 2.88Å; D677-S680 VanDerWaalsContact OD2-CB 3.23Å; D677-S680 WeakPolarHBondContact OD2-CB 3.44Å; D677-S680 PolarHBondContact OD2-OG 3.18Å; R678-S680 PolarHBondContact O-N 2.81Å |
| 681 | T | 79.7 | Confident | 84.3 | Confident | 33 Ų | 33 | 41.4 Ų | 41.4 | 20% | 0.202 | 22% | 0.223 | C | C | . | . | trans | -156.6 | 116.6 | -171.9 | -63.7 | 0 | 0 | 0 | 0 | 114.3 | D677 R678 R683 Y684 V707 | D677-T681 PolarHBondContact O-N 3.15Å; R678-T681 CarbonylContact O-C 3.5Å; R678-T681 PolarHBondContact O-N 2.93Å; T681-R683 WeakPolarHBondContact CG2-O 3.37Å; T681-Y684 HydrophobicContact CG2-CD1 4.18Å; T681-Y684 HydrophobicContact CG2-CD2 3.77Å; T681-Y684 HydrophobicContact CG2-CE1 3.9Å; T681-Y684 HydrophobicContact CG2-CE2 3.41Å; T681-Y684 VanDerWaalsContact CG2-CE2 3.41Å; T681-Y684 HydrophobicContact CG2-CG 4.12Å; T681-Y684 VanDerWaalsContact CG2-CZ 3.49Å; T681-V707 WeakPolarHBondContact O-CG2 3.42Å | ||
| 682 | D | 80.4 | Confident | 83.6 | Confident | 68 Ų | 68 | 41.1 Ų | 41.1 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -80.3 | -19.5 | 179.4 | 86.2 | -36.3 | 0 | 0 | 0 | 114.9 | V707 | D682-V707 PolarHBondContact O-N 2.94Š|
| 683 | R | 85.6 | Confident | 82.8 | Confident | 133 Ų | 133 | 44.2 Ų | 44.2 | 50% | 0.502 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 150.2 | -177.5 | 74.8 | -165.8 | 69.4 | -154.2 | -2.8 | 112 | T681 I685 I705 | T681-R683 WeakPolarHBondContact CG2-O 3.37Å; R683-I685 HydrophobicContact CG-CG1 4.47Å; R683-I705 CarbonylContact C-O 3.52Å; R683-I705 WeakPolarHBondContact CA-O 3.44Å; R683-I705 VanDerWaalsContact CB-O 3.28Å; R683-I705 WeakPolarHBondContact CB-O 3.32Å |
| 684 | Y | 86.3 | Confident | 82 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.6 | 174.1 | -63.4 | -105 | 0 | 0 | 0 | 109.8 | V660 F661 L676 T681 N704 I705 V707 | V660-Y684 HydrophobicContact CB-CE1 4.2Å; V660-Y684 HydrophobicContact CG2-CE1 3.6Å; F661-Y684 AromaticContact CE2-CD1 3.7Å; F661-Y684 HydrophobicContact CE2-CD1 3.7Å; F661-Y684 HydrophobicContact CE2-CD2 4.22Å; F661-Y684 HydrophobicContact CE2-CE1 4.35Å; F661-Y684 AromaticContact CE2-CG 3.63Å; F661-Y684 HydrophobicContact CE2-CG 3.63Å; F661-Y684 HydrophobicContact CZ-CD1 4.45Å; F661-Y684 HydrophobicContact CZ-CD2 4.19Å; F661-Y684 HydrophobicContact CZ-CG 4.04Å; L676-Y684 HydrophobicContact CD2-CD2 4.03Å; L676-Y684 HydrophobicContact CD2-CE2 3.27Å; T681-Y684 HydrophobicContact CG2-CD1 4.18Å; T681-Y684 HydrophobicContact CG2-CD2 3.77Å; T681-Y684 HydrophobicContact CG2-CE1 3.9Å; T681-Y684 HydrophobicContact CG2-CE2 3.41Å; T681-Y684 VanDerWaalsContact CG2-CE2 3.41Å; T681-Y684 HydrophobicContact CG2-CG 4.12Å; T681-Y684 VanDerWaalsContact CG2-CZ 3.49Å; Y684-N704 CarbonylContact O-C 3.58Å; Y684-I705 PolarHBondContact N-O 2.84Å; Y684-I705 PolarHBondContact O-N 3.17Å; Y684-V707 HydrophobicContact CD2-CG2 4.06Å; Y684-V707 HydrophobicContact CE2-CG2 3.88Å |
| 685 | I | 86.2 | Confident | 81.1 | Confident | 85 Ų | 85 | 48.8 Ų | 48.8 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 75.2 | -177.7 | -51.4 | -179.8 | 0 | 0 | 0 | 108.2 | G655 R683 I687 T702 V703 | G655-I685 WeakPolarHBondContact CA-O 3.47Å; R683-I685 HydrophobicContact CG-CG1 4.47Å; I685-I687 PolarHBondContact O-N 2.95Å; I685-T702 HydrophobicContact CG2-CG2 3.82Å; I685-V703 CarbonylContact C-O 3.47Å; I685-V703 VanDerWaalsContact C-O 3.23Å; I685-V703 VanDerWaalsContact CA-O 3.22Å; I685-V703 WeakPolarHBondContact CA-O 3.4Å |
| 686 | L | 87.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 127.9 | -171.2 | -19.9 | -179.3 | 0 | 0 | 0 | 109.8 | I652 N654 D656 F661 L670 T702 V703 I705 | I652-L686 HydrophobicContact CG2-CB 4.03Å; N654-L686 CarbonylContact O-C 3.54Å; N654-L686 VanDerWaalsContact O-CA 3.3Å; N654-L686 WeakPolarHBondContact O-CA 3.46Å; D656-L686 HydrophobicContact CB-CD2 4.18Å; F661-L686 HydrophobicContact CB-CD1 4.34Å; F661-L686 HydrophobicContact CD2-CD1 3.85Å; F661-L686 HydrophobicContact CD2-CD2 3.56Å; F661-L686 HydrophobicContact CD2-CG 4.4Å; F661-L686 HydrophobicContact CE2-CD1 4.48Å; F661-L686 HydrophobicContact CE2-CD2 3.6Å; F661-L686 HydrophobicContact CG-CD1 4.12Å; L670-L686 HydrophobicContact CD1-CD1 3.93Å; L670-L686 HydrophobicContact CD2-CD1 3.63Å; L670-L686 HydrophobicContact CG-CD1 4.4Å; L686-T702 CarbonylContact O-C 3.59Å; L686-T702 VanDerWaalsContact O-CA 3.32Å; L686-T702 WeakPolarHBondContact O-CA 3.43Å; L686-V703 HydrophobicContact CB-CB 4.06Å; L686-V703 HydrophobicContact CD1-CB 4.21Å; L686-V703 HydrophobicContact CD1-CG1 4.13Å; L686-V703 HydrophobicContact CG-CB 3.98Å; L686-V703 HydrophobicContact CG-CG1 4.21Å; L686-V703 PolarHBondContact N-O 2.97Å; L686-V703 PolarHBondContact O-N 2.62Å; L686-I705 HydrophobicContact CD1-CD1 3.95Å; L686-I705 HydrophobicContact CD2-CD1 4.15Å; L686-I705 HydrophobicContact CG-CD1 4.19Å |
| 687 | I | 86 | Confident | 79.2 | Confident | 53 Ų | 53 | 48.5 Ų | 48.5 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.7 | 165.5 | -42.4 | -178 | 0 | 0 | 0 | 106.9 | I652 E653 N654 I685 A701 T702 | I652-I687 CarbonylContact C-O 3.52Å; I652-I687 WeakPolarHBondContact CA-O 3.12Å; I652-I687 WeakPolarHBondContact CG2-O 3.18Å; E653-I687 HydrophobicContact CB-CB 4.4Å; E653-I687 PolarHBondContact N-O 2.85Å; E653-I687 WeakPolarHBondContact OE2-CG2 3.47Å; N654-I687 HydrophobicContact CB-CB 3.83Å; N654-I687 HydrophobicContact CB-CD1 3.77Å; N654-I687 HydrophobicContact CB-CG1 3.79Å; N654-I687 PolarHBondContact N-O 3.13Å; N654-I687 VanDerWaalsContact N-O 3.16Å; N654-I687 PolarHBondContact O-N 3.46Å; I685-I687 PolarHBondContact O-N 2.95Å; I687-A701 CarbonylContact C-O 3.52Å; I687-A701 WeakPolarHBondContact CA-O 3.49Å; I687-A701 WeakPolarHBondContact CG2-O 3.44Å; I687-T702 HydrophobicContact CG1-CG2 4.45Å |
| 688 | V | 87.4 | Confident | 78.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.2 | -173.4 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | F616 L638 A651 I652 L663 T700 A701 V703 | F616-V688 WeakPolarHBondContact CE2-O 3.3Å; F616-V688 HydrophobicContact CZ-CG1 4.09Å; L638-V688 HydrophobicContact CD1-CB 4.14Å; L638-V688 HydrophobicContact CD1-CG1 3.88Å; L638-V688 HydrophobicContact CD1-CG2 3.81Å; A651-V688 CarbonylContact O-C 3.55Å; A651-V688 WeakPolarHBondContact O-CA 3.48Å; A651-V688 WeakPolarHBondContact O-CG1 3.4Å; I652-V688 HydrophobicContact CG1-CG2 4.47Å; L663-V688 HydrophobicContact CD2-CG1 3.56Å; V688-T700 CarbonylContact O-C 3.48Å; V688-T700 WeakPolarHBondContact O-CA 3.4Å; V688-A701 PolarHBondContact N-O 3.19Å; V688-A701 PolarHBondContact O-N 3.23Å; V688-V703 HydrophobicContact CG2-CG2 4.36Å |
| 689 | T | 86 | Confident | 78.5 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 153.9 | 179.9 | 35.3 | 0 | 0 | 0 | 0 | 113.4 | F616 Y650 A651 E653 S699 T700 | F616-T689 VanDerWaalsContact CE2-C 3.49Å; Y650-T689 WeakPolarHBondContact CA-O 3.5Å; A651-T689 PolarHBondContact N-O 3.49Å; A651-T689 VanDerWaalsContact N-O 3.1Å; A651-T689 PolarHBondContact O-N 2.84Å; A651-T689 PolarHBondContact O-OG1 2.65Å; E653-T689 HydrophobicContact CB-CG2 3.65Å; E653-T689 HydrophobicContact CG-CG2 3.82Å; T689-S699 CarbonylContact C-O 3.42Å; T689-S699 WeakPolarHBondContact CA-O 3.37Å; T689-T700 HydrophobicContact CG2-CG2 3.87Å |
| 690 | A | 82.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109 | F616 A640 I648 T649 Y650 S699 | F616-A690 HydrophobicContact CD2-CB 4.14Å; F616-A690 HydrophobicContact CE1-CB 4.21Å; F616-A690 HydrophobicContact CE2-CB 3.59Å; F616-A690 VanDerWaalsContact CE2-N 3.31Å; F616-A690 HydrophobicContact CZ-CB 3.62Å; A640-A690 HydrophobicContact CB-CB 3.45Å; A640-A690 VanDerWaalsContact CB-CB 3.45Å; I648-A690 HydrophobicContact CG2-CB 3.82Å; T649-A690 WeakPolarHBondContact O-CA 3.47Å; Y650-A690 HydrophobicContact CD1-CB 4.29Å; Y650-A690 HydrophobicContact CE1-CB 4.3Å; A690-S699 PolarHBondContact N-O 3.46Å; A690-S699 PolarHBondContact O-N 2.69Å |
| 691 | S | 81.5 | Confident | 78.8 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.7 | -173.7 | -174 | 0 | 0 | 0 | 0 | 113.9 | I648 T649 G693 G697 | I648-S691 CarbonylContact C-O 3.5Å; I648-S691 WeakPolarHBondContact CA-O 3.46Å; T649-S691 PolarHBondContact N-O 2.83Å; T649-S691 PolarHBondContact O-N 2.62Å; T649-S691 PolarHBondContact OG1-O 2.59Å; T649-S691 VanDerWaalsContact OG1-O 3.14Å; S691-G693 PolarHBondContact OG-N 3.18Å; S691-G693 VanDerWaalsContact OG-N 3.16Å; S691-G697 VanDerWaalsContact CA-O 3.23Å; S691-G697 WeakPolarHBondContact CA-O 3.32Å; S691-G697 WeakPolarHBondContact CB-O 2.98Å; S691-G697 PolarHBondContact OG-O 3.47Å |
| 692 | D | 73.9 | Confident | 79.1 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.102 | 26% | 0.256 | C | S | . | . | trans | -87.8 | -12.2 | 171.6 | 52.9 | 22.1 | 0 | 0 | 0 | 113.8 | P613 P614 D646 R694 G697 | P613-D692 WeakPolarHBondContact CA-OD2 3.37Å; P614-D692 WeakPolarHBondContact CD-OD2 3.48Å; P614-D692 HydrophobicContact CG-CB 3.76Å; D646-D692 HydrophobicContact CB-CB 3.64Å; D692-R694 WeakPolarHBondContact OD1-CB 3.41Å; D692-R694 PolarHBondContact OD1-N 2.76Å; D692-G697 PolarHBondContact N-O 2.82Å; D692-G697 VanDerWaalsContact OD1-CA 3.26Å; D692-G697 WeakPolarHBondContact OD1-CA 3.42Å; D692-G697 VanDerWaalsContact OD1-O 3.08Å | ||
| 693 | G | 71.2 | Confident | 79.4 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 70% | 0.701 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 101.3 | 4.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | S691 | S691-G693 PolarHBondContact OG-N 3.18Å; S691-G693 VanDerWaalsContact OG-N 3.16Å |
| 694 | R | 65.2 | Low | 79.5 | Confident | 101 Ų | 101 | 38.3 Ų | 38.3 | 38% | 0.381 | 23% | 0.228 | S | C | . | . | trans | -95.3 | 156 | 176.5 | -55.3 | 174.6 | -170.8 | -147.8 | 9.6 | 111.2 | S612 D646 D692 G697 | S612-R694 WeakPolarHBondContact O-CD 3.45Å; D646-R694 IonicContact OD2-CZ 3.33Å; D646-R694 IonicContact OD2-NE 2.62Å; D646-R694 PolarHBondContact OD2-NE 3.21Å; D646-R694 VanDerWaalsContact OD2-NE 3.16Å; D646-R694 IonicContact OD2-NH2 2.68Å; D646-R694 PolarHBondContact OD2-NH2 2.95Å; D692-R694 WeakPolarHBondContact OD1-CB 3.41Å; D692-R694 PolarHBondContact OD1-N 2.76Å; R694-G697 WeakPolarHBondContact O-CA 3.48Å; R694-G697 PolarHBondContact O-N 2.87Å; R694-G697 VanDerWaalsContact O-N 3.13Å | ||
| 695 | P | 64.4 | Low | 79.6 | Confident | 110 Ų | 110 | 38 Ų | 38 | 71% | 0.714 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -46.4 | 179.2 | -20.2 | 32.8 | 0 | 0 | 0 | 112.1 | G697 | P695-G697 PolarHBondContact O-N 2.68Š|
| 696 | D | 63.9 | Low | 79.6 | Confident | 72 Ų | 72 | 36.6 Ų | 36.6 | 39% | 0.385 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 28.5 | 173.6 | -49.5 | -42.3 | 0 | 0 | 0 | 111.1 | N610 Q611 S612 P613 | N610-D696 PolarHBondContact ND2-OD2 3.41Å; N610-D696 PolarHBondContact OD1-OD2 3.01Å; Q611-D696 WeakPolarHBondContact O-CB 3.45Å; S612-D696 CarbonylContact C-O 3.58Å; P613-D696 WeakPolarHBondContact CB-O 3.49Å; P613-D696 WeakPolarHBondContact CD-O 3.3Å; P613-D696 WeakPolarHBondContact CG-O 3.44Å |
| 697 | G | 63.2 | Low | 79.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -120.4 | 36.6 | -151.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | S612 P614 S691 D692 R694 P695 | S612-G697 WeakPolarHBondContact O-CA 3.41Å; P614-G697 VanDerWaalsContact CD-C 3.45Å; P614-G697 VanDerWaalsContact CD-O 3.32Å; P614-G697 WeakPolarHBondContact CD-O 3.42Å; S691-G697 VanDerWaalsContact CA-O 3.23Å; S691-G697 WeakPolarHBondContact CA-O 3.32Å; S691-G697 WeakPolarHBondContact CB-O 2.98Å; S691-G697 PolarHBondContact OG-O 3.47Å; D692-G697 PolarHBondContact N-O 2.82Å; D692-G697 VanDerWaalsContact OD1-CA 3.26Å; D692-G697 WeakPolarHBondContact OD1-CA 3.42Å; D692-G697 VanDerWaalsContact OD1-O 3.08Å; R694-G697 WeakPolarHBondContact O-CA 3.48Å; R694-G697 PolarHBondContact O-N 2.87Å; R694-G697 VanDerWaalsContact O-N 3.13Å; P695-G697 PolarHBondContact O-N 2.68Å | ||
| 698 | T | 75.6 | Confident | 79.4 | Confident | 71 Ų | 71 | 37.9 Ų | 37.9 | 44% | 0.436 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 157.7 | -168 | 61.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 699 | S | 79.6 | Confident | 79.3 | Confident | 18 Ų | 18 | 41.3 Ų | 41.3 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 160.3 | 167.2 | 65.7 | 0 | 0 | 0 | 0 | 111.4 | P614 R615 F616 T689 A690 | P614-S699 WeakPolarHBondContact O-CB 3.2Å; R615-S699 WeakPolarHBondContact CA-OG 3.24Å; R615-S699 PolarHBondContact N-OG 2.91Å; F616-S699 WeakPolarHBondContact CE2-O 3.28Å; T689-S699 CarbonylContact C-O 3.42Å; T689-S699 WeakPolarHBondContact CA-O 3.37Å; A690-S699 PolarHBondContact N-O 3.46Å; A690-S699 PolarHBondContact O-N 2.69Å |
| 700 | T | 84.8 | Confident | 79.1 | Confident | 63 Ų | 63 | 44.6 Ų | 44.6 | 39% | 0.387 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 155.2 | -164.1 | 61.7 | 0 | 0 | 0 | 0 | 115 | E653 V688 T689 | E653-T700 WeakPolarHBondContact OE2-CG2 3.35Å; V688-T700 CarbonylContact O-C 3.48Å; V688-T700 WeakPolarHBondContact O-CA 3.4Å; T689-T700 HydrophobicContact CG2-CG2 3.87Å |
| 701 | A | 83.8 | Confident | 79.3 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 164.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F616 Q618 I687 V688 | F616-A701 HydrophobicContact CD1-CB 4.38Å; F616-A701 HydrophobicContact CD2-CB 4.06Å; F616-A701 HydrophobicContact CE2-CB 4.27Å; F616-A701 HydrophobicContact CG-CB 4.13Å; Q618-A701 WeakPolarHBondContact O-CB 3.3Å; I687-A701 CarbonylContact C-O 3.52Å; I687-A701 WeakPolarHBondContact CA-O 3.49Å; I687-A701 WeakPolarHBondContact CG2-O 3.44Å; V688-A701 PolarHBondContact N-O 3.19Å; V688-A701 PolarHBondContact O-N 3.23Å |
| 702 | T | 85.9 | Confident | 79.4 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 26% | 0.264 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.2 | -170.5 | -31 | 0 | 0 | 0 | 0 | 114.8 | L619 M620 Y621 I685 L686 I687 | L619-T702 WeakPolarHBondContact O-CB 3.39Å; L619-T702 PolarHBondContact O-N 3.13Å; L619-T702 PolarHBondContact O-OG1 2.67Å; M620-T702 CarbonylContact C-O 3.54Å; M620-T702 WeakPolarHBondContact CA-O 3.46Å; Y621-T702 WeakPolarHBondContact CD2-O 3.44Å; Y621-T702 PolarHBondContact N-O 2.65Å; I685-T702 HydrophobicContact CG2-CG2 3.82Å; L686-T702 CarbonylContact O-C 3.59Å; L686-T702 VanDerWaalsContact O-CA 3.32Å; L686-T702 WeakPolarHBondContact O-CA 3.43Å; I687-T702 HydrophobicContact CG1-CG2 4.45Å |
| 703 | V | 86.3 | Confident | 79.9 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134.3 | -178.3 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | Y621 L636 L638 L670 I685 L686 V688 I705 | Y621-V703 HydrophobicContact CD2-CG2 4.13Å; Y621-V703 CarbonylContact O-C 3.37Å; Y621-V703 WeakPolarHBondContact O-CA 3.37Å; L636-V703 HydrophobicContact CD1-CG1 3.41Å; L636-V703 VanDerWaalsContact CD1-CG1 3.41Å; L636-V703 HydrophobicContact CD1-CG2 4.37Å; L638-V703 HydrophobicContact CD1-CG2 4.2Å; L670-V703 HydrophobicContact CD2-CG1 4.23Å; I685-V703 CarbonylContact C-O 3.47Å; I685-V703 VanDerWaalsContact C-O 3.23Å; I685-V703 VanDerWaalsContact CA-O 3.22Å; I685-V703 WeakPolarHBondContact CA-O 3.4Å; L686-V703 HydrophobicContact CB-CB 4.06Å; L686-V703 HydrophobicContact CD1-CB 4.21Å; L686-V703 HydrophobicContact CD1-CG1 4.13Å; L686-V703 HydrophobicContact CG-CB 3.98Å; L686-V703 HydrophobicContact CG-CG1 4.21Å; L686-V703 PolarHBondContact N-O 2.97Å; L686-V703 PolarHBondContact O-N 2.62Å; V688-V703 HydrophobicContact CG2-CG2 4.36Å; V703-I705 HydrophobicContact CG1-CD1 4.46Å; V703-I705 HydrophobicContact CG1-CG1 4.39Å |
| 704 | N | 88.8 | Confident | 80.5 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.2 | -175.7 | 176.3 | 64 | 0 | 0 | 0 | 113.7 | Y621 S622 L623 Y684 | Y621-N704 PolarHBondContact O-N 2.82Å; S622-N704 CarbonylContact C-O 3.58Å; S622-N704 VanDerWaalsContact CA-O 3.24Å; S622-N704 WeakPolarHBondContact CA-O 3.4Å; S622-N704 PolarHBondContact OG-ND2 3.45Å; L623-N704 PolarHBondContact N-O 2.97Å; Y684-N704 CarbonylContact O-C 3.58Å |
| 705 | I | 86.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 149.1 | -171 | -45.7 | -172.9 | 0 | 0 | 0 | 110.2 | L623 V625 L635 F661 R683 Y684 L686 V703 | L623-I705 HydrophobicContact CD1-CG2 4.05Å; L623-I705 HydrophobicContact CD2-CD1 4.1Å; L623-I705 HydrophobicContact CD2-CG1 3.89Å; L623-I705 HydrophobicContact CG-CB 4.46Å; L623-I705 HydrophobicContact CG-CD1 4.48Å; L623-I705 HydrophobicContact CG-CG1 4Å; L623-I705 HydrophobicContact CG-CG2 4.21Å; L623-I705 WeakPolarHBondContact O-CA 3.48Å; V625-I705 HydrophobicContact CB-CG2 4.38Å; V625-I705 HydrophobicContact CG2-CG2 3.52Å; L635-I705 HydrophobicContact CD1-CD1 4.38Å; F661-I705 HydrophobicContact CD1-CD1 4.14Å; F661-I705 HydrophobicContact CD2-CD1 4.36Å; F661-I705 HydrophobicContact CE1-CD1 3.62Å; F661-I705 HydrophobicContact CE2-CD1 3.92Å; F661-I705 HydrophobicContact CG-CD1 4.48Å; F661-I705 HydrophobicContact CZ-CD1 3.52Å; F661-I705 HydrophobicContact CZ-CG2 4.19Å; R683-I705 CarbonylContact C-O 3.52Å; R683-I705 WeakPolarHBondContact CA-O 3.44Å; R683-I705 VanDerWaalsContact CB-O 3.28Å; R683-I705 WeakPolarHBondContact CB-O 3.32Å; Y684-I705 PolarHBondContact N-O 2.84Å; Y684-I705 PolarHBondContact O-N 3.17Å; L686-I705 HydrophobicContact CD1-CD1 3.95Å; L686-I705 HydrophobicContact CD2-CD1 4.15Å; L686-I705 HydrophobicContact CG-CD1 4.19Å; V703-I705 HydrophobicContact CG1-CD1 4.46Å; V703-I705 HydrophobicContact CG1-CG1 4.39Å |
| 706 | V | 87 | Confident | 82.7 | Confident | 55 Ų | 55 | 45.7 Ų | 45.7 | 33% | 0.333 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 156.4 | -173.2 | -172.6 | 0 | 0 | 0 | 0 | 112.6 | E624 V625 | E624-V706 HydrophobicContact CG-CB 4.45Å; V625-V706 CarbonylContact C-O 3.4Å; V625-V706 WeakPolarHBondContact CA-O 3.35Å; V625-V706 PolarHBondContact N-O 2.85Å |
| 707 | V | 85.7 | Confident | 83.9 | Confident | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | trans | -138.9 | 171.4 | -168.4 | -161 | 0 | 0 | 0 | 0 | 113.8 | E627 L676 R678 T681 D682 Y684 | E627-V707 HydrophobicContact CB-CG1 3.82Å; L676-V707 HydrophobicContact CB-CG1 4.17Å; L676-V707 HydrophobicContact CD2-CG2 4.08Å; R678-V707 HydrophobicContact CB-CG1 4.11Å; T681-V707 WeakPolarHBondContact O-CG2 3.42Å; D682-V707 PolarHBondContact O-N 2.94Å; Y684-V707 HydrophobicContact CD2-CG2 4.06Å; Y684-V707 HydrophobicContact CE2-CG2 3.88Å | ||
| 708 | T | 84.3 | Confident | 84.7 | Confident | 66 Ų | 66 | 45.1 Ų | 45.1 | 41% | 0.405 | 27% | 0.265 | S | S | . | . | trans | -147.3 | 149.8 | -169.7 | 63.7 | 0 | 0 | 0 | 0 | 115.2 | S626 E627 R678 | S626-T708 PolarHBondContact OG-OG1 2.72Å; E627-T708 WeakPolarHBondContact CB-O 3.49Å; E627-T708 WeakPolarHBondContact CG-O 3.29Å; R678-T708 WeakPolarHBondContact CB-O 3.44Å | ||
| 709 | D | 84.5 | Confident | 84.9 | Confident | 73 Ų | 73 | 46.1 Ų | 46.1 | 39% | 0.39 | 27% | 0.272 | S | S | . | . | trans | -85.6 | 151.3 | -160.8 | -171.8 | 90.7 | 0 | 0 | 0 | 121.5 | R678 E679 A746 | R678-D709 IonicContact CZ-OD1 3.31Å; R678-D709 VanDerWaalsContact CZ-OD1 3.31Å; R678-D709 IonicContact NE-OD1 2.94Å; R678-D709 PolarHBondContact NE-OD1 3.16Å; R678-D709 IonicContact NH2-OD1 2.92Å; R678-D709 PolarHBondContact NH2-OD1 3.12Å; E679-D709 VanDerWaalsContact OE1-OD1 3.07Å; D709-A746 WeakPolarHBondContact OD1-CB 3.47Å | ||
| 710 | V | 83.4 | Confident | 84.9 | Confident | 87 Ų | 87 | 55 Ų | 55 | 53% | 0.527 | 30% | 0.304 | S | S | . | . | trans | -147.7 | 156.1 | 166.4 | 170.6 | 0 | 0 | 0 | 0 | 112.5 | E627 | E627-V710 VanDerWaalsContact OE1-CB 3.3Å; E627-V710 WeakPolarHBondContact OE1-CB 3.35Å; E627-V710 VanDerWaalsContact OE1-CG2 3.22Å; E627-V710 WeakPolarHBondContact OE1-CG2 3.33Å; E627-V710 PolarHBondContact OE1-N 2.96Å; E627-V710 VanDerWaalsContact OE1-N 3.12Å | ||
| 711 | N | 86.1 | Confident | 84.6 | Confident | 69 Ų | 69 | 53.1 Ų | 53.1 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | trans | -79.7 | 121.9 | 172.2 | 166.3 | -94.9 | 0 | 0 | 0 | 112.7 | D745 N749 | N711-D745 WeakPolarHBondContact CA-OD2 3.3Å; N711-D745 VanDerWaalsContact CG-OD2 3.27Å; N711-D745 PolarHBondContact ND2-OD2 2.9Å; N711-N749 WeakPolarHBondContact ND2-CB 3.21Å; N711-N749 VanDerWaalsContact ND2-CG 3.25Å; N711-N749 PolarHBondContact ND2-OD1 3.34Å | ||
| 712 | D | 83.6 | Confident | 84.4 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 51% | 0.508 | 31% | 0.314 | S | S | . | . | trans | -148.4 | -1.6 | 169.8 | 80.5 | -7.3 | 0 | 0 | 0 | 118.6 | D745 R799 | D712-D745 PolarHBondContact N-OD1 2.75Å; D712-D745 PolarHBondContact N-OD2 2.86Å; D712-D745 VanDerWaalsContact N-OD2 3.1Å; D712-R799 VanDerWaalsContact O-CZ 3.29Å; D712-R799 PolarHBondContact O-NH1 3.12Å; D712-R799 PolarHBondContact O-NH2 3.39Å | ||
| 713 | N | 83.4 | Confident | 84.2 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | trans | -101.6 | -169.3 | -174.4 | -62.9 | -81.6 | 0 | 0 | 0 | 116.2 | P744 D745 R799 | N713-P744 HydrophobicContact CB-CG 3.44Å; N713-P744 VanDerWaalsContact CB-CG 3.44Å; N713-D745 WeakPolarHBondContact CB-OD1 3.34Å; N713-D745 PolarHBondContact N-OD1 3.3Å; N713-D745 PolarHBondContact N-OD2 2.93Å; N713-D745 PolarHBondContact ND2-OD1 3.25Å; N713-R799 WeakPolarHBondContact O-CD 3.47Å; N713-R799 PolarHBondContact O-NE 2.93Å; N713-R799 PolarHBondContact O-NH1 3.14Å | ||
| 714 | A | 83.9 | Confident | 84.1 | Confident | 32 Ų | 32 | 67.2 Ų | 67.2 | 26% | 0.264 | 36% | 0.358 | S | S | . | . | trans | -160.1 | 164.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V716 D743 R799 | A714-V716 PolarHBondContact O-N 3.25Å; A714-D743 WeakPolarHBondContact CA-OD2 3.27Å; A714-R799 HydrophobicContact CB-CB 3.88Å; A714-R799 HydrophobicContact CB-CG 4.46Å | ||
| 715 | P | 88.2 | Confident | 84.1 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | trans | -73.8 | 126.3 | -179.6 | -21 | 33.9 | 0 | 0 | 0 | 114.3 | T742 D743 V752 D793 S801 | P715-T742 WeakPolarHBondContact CA-O 3.47Å; P715-D743 WeakPolarHBondContact CD-OD2 3.43Å; P715-D743 HydrophobicContact CG-CB 4.37Å; P715-D743 WeakPolarHBondContact CG-OD2 3.31Å; P715-V752 HydrophobicContact CB-CG1 4.22Å; P715-V752 HydrophobicContact CB-CG2 4.15Å; P715-V752 HydrophobicContact CG-CG2 4.34Å; P715-D793 HydrophobicContact CG-CB 3.52Å; P715-S801 VanDerWaalsContact O-CB 3.26Å; P715-S801 WeakPolarHBondContact O-CB 3.42Å; P715-S801 PolarHBondContact O-OG 2.78Å | ||
| 716 | V | 87.9 | Confident | 84.1 | Confident | 87 Ų | 87 | 69 Ų | 69 | 53% | 0.527 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 126.9 | 177.2 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | A714 A741 T742 | A714-V716 PolarHBondContact O-N 3.25Å; V716-A741 CarbonylContact O-C 3.52Å; V716-A741 WeakPolarHBondContact O-CA 3.47Å; V716-A741 WeakPolarHBondContact O-CB 3.48Å; V716-T742 PolarHBondContact N-O 3.3Å; V716-T742 PolarHBondContact O-N 2.85Å |
| 717 | F | 88.5 | Confident | 84.2 | Confident | 16 Ų | 16 | 66.7 Ų | 66.7 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 138.2 | 166.9 | -89.8 | -80.1 | 0 | 0 | 0 | 110.3 | P719 L721 V739 R740 A741 Y754 V789 V790 A791 L803 | F717-P719 WeakPolarHBondContact O-CD 3.37Å; F717-P719 VanDerWaalsContact O-N 3.17Å; F717-L721 HydrophobicContact CD1-CD1 4.19Å; F717-V739 HydrophobicContact CD1-CB 4.43Å; F717-V739 HydrophobicContact CE1-CB 4.05Å; F717-V739 HydrophobicContact CE1-CG2 4.04Å; F717-R740 WeakPolarHBondContact CA-O 3.47Å; F717-R740 VanDerWaalsContact CD1-O 3.3Å; F717-R740 WeakPolarHBondContact CD1-O 3.47Å; F717-A741 HydrophobicContact CD1-CB 4.21Å; F717-A741 HydrophobicContact CG-CB 4.31Å; F717-Y754 HydrophobicContact CE1-CD1 4.12Å; F717-Y754 HydrophobicContact CE1-CE1 4.11Å; F717-Y754 HydrophobicContact CZ-CD1 4.27Å; F717-V789 HydrophobicContact CZ-CB 4.45Å; F717-V789 HydrophobicContact CZ-CG1 4.28Å; F717-V790 VanDerWaalsContact CZ-C 3.49Å; F717-A791 HydrophobicContact CD2-CB 4.24Å; F717-A791 HydrophobicContact CE1-CB 4.32Å; F717-A791 HydrophobicContact CE2-CB 3.52Å; F717-A791 HydrophobicContact CZ-CB 3.57Å; F717-L803 HydrophobicContact CD1-CB 4.23Å; F717-L803 HydrophobicContact CD1-CD2 3.91Å; F717-L803 HydrophobicContact CD2-CB 4.08Å; F717-L803 HydrophobicContact CE1-CB 4.39Å; F717-L803 HydrophobicContact CE1-CD2 4.34Å; F717-L803 HydrophobicContact CE2-CB 4.22Å; F717-L803 HydrophobicContact CG-CB 4.08Å; F717-L803 HydrophobicContact CG-CD2 4.33Å; F717-L803 HydrophobicContact CZ-CB 4.37Å |
| 718 | D | 81.8 | Confident | 84.2 | Confident | 45 Ų | 45 | 69.2 Ų | 69.2 | 24% | 0.241 | 38% | 0.375 | C | S | . | . | trans | -56.3 | 117.7 | 179.1 | 179.3 | -15 | 0 | 0 | 0 | 110.1 | Y720 L721 R740 | D718-Y720 PolarHBondContact O-N 2.89Å; D718-Y720 WeakPolarHBondContact OD1-CB 3.21Å; D718-Y720 WeakPolarHBondContact OD1-CD2 3.24Å; D718-Y720 PolarHBondContact OD1-N 2.86Å; D718-L721 HydrophobicContact CB-CD1 4Å; D718-L721 HydrophobicContact CB-CD2 4.33Å; D718-L721 HydrophobicContact CB-CG 3.83Å; D718-L721 VanDerWaalsContact O-CD1 3.32Å; D718-L721 WeakPolarHBondContact O-CD1 3.42Å; D718-L721 WeakPolarHBondContact O-CG 3.19Å; D718-L721 PolarHBondContact O-N 3.01Å; D718-R740 HydrophobicContact CB-CB 4.2Å; D718-R740 PolarHBondContact N-O 3.43Å | ||
| 719 | P | 78.2 | Confident | 84.2 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 59% | 0.591 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -14.5 | -173.4 | 29.2 | -35.4 | 0 | 0 | 0 | 113 | F717 L721 | F717-P719 WeakPolarHBondContact O-CD 3.37Å; F717-P719 VanDerWaalsContact O-N 3.17Å; P719-L721 VanDerWaalsContact C-N 3.33Å |
| 720 | Y | 80.6 | Confident | 84 | Confident | 205 Ų | 205 | 67.9 Ų | 67.9 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 2.3 | 179.8 | -56 | -73.6 | 0 | 0 | 0 | 113.4 | D718 | D718-Y720 PolarHBondContact O-N 2.89Å; D718-Y720 WeakPolarHBondContact OD1-CB 3.21Å; D718-Y720 WeakPolarHBondContact OD1-CD2 3.24Å; D718-Y720 PolarHBondContact OD1-N 2.86Å |
| 721 | L | 78.7 | Confident | 83.8 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 12% | 0.12 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -62.8 | 130.4 | 175.9 | -65.7 | 169.7 | 0 | 0 | 0 | 111.1 | F717 D718 P719 R723 V739 R740 L803 | F717-L721 HydrophobicContact CD1-CD1 4.19Å; D718-L721 HydrophobicContact CB-CD1 4Å; D718-L721 HydrophobicContact CB-CD2 4.33Å; D718-L721 HydrophobicContact CB-CG 3.83Å; D718-L721 VanDerWaalsContact O-CD1 3.32Å; D718-L721 WeakPolarHBondContact O-CD1 3.42Å; D718-L721 WeakPolarHBondContact O-CG 3.19Å; D718-L721 PolarHBondContact O-N 3.01Å; P719-L721 VanDerWaalsContact C-N 3.33Å; L721-R723 PolarHBondContact O-N 2.94Å; L721-V739 HydrophobicContact CD1-CB 3.98Å; L721-V739 HydrophobicContact CD1-CG1 4.34Å; L721-R740 HydrophobicContact CD2-CB 4.43Å; L721-L803 HydrophobicContact CB-CD2 4.5Å; L721-L803 HydrophobicContact CD1-CD2 3.7Å |
| 722 | P | 78.4 | Confident | 83.6 | Confident | 77 Ų | 77 | 67.9 Ų | 67.9 | 50% | 0.5 | 36% | 0.361 | S | S | . | . | trans | -65.4 | 109.1 | 179.5 | 25.7 | -32.9 | 0 | 0 | 0 | 110.1 | L725 | P722-L725 HydrophobicContact CB-CD2 4.01Å; P722-L725 HydrophobicContact CG-CD2 3.94Å; P722-L725 WeakPolarHBondContact O-CD2 3.27Å | ||
| 723 | R | 83 | Confident | 83.6 | Confident | 143 Ų | 143 | 68 Ų | 68 | 54% | 0.54 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -73.4 | -31.6 | 176 | -61.7 | -171.1 | -173.6 | -150.1 | -0.5 | 112.2 | L721 L805 Y806 | L721-R723 PolarHBondContact O-N 2.94Å; R723-L805 CarbonylContact O-C 3.49Å; R723-L805 VanDerWaalsContact O-CA 3.3Å; R723-L805 WeakPolarHBondContact O-CA 3.18Å; R723-Y806 PolarHBondContact O-N 2.85Å |
| 724 | N | 84.5 | Confident | 83.7 | Confident | 124 Ų | 124 | 66 Ų | 66 | 66% | 0.663 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122.2 | 176.6 | -64.9 | 0.9 | 0 | 0 | 0 | 109.1 | ||
| 725 | L | 88.2 | Confident | 83.9 | Confident | 21 Ų | 21 | 69.9 Ų | 69.9 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 159.4 | -177.1 | -55.8 | 173.3 | 0 | 0 | 0 | 108.6 | P722 V736 L805 Y806 I807 K808 | P722-L725 HydrophobicContact CB-CD2 4.01Å; P722-L725 HydrophobicContact CG-CD2 3.94Å; P722-L725 WeakPolarHBondContact O-CD2 3.27Å; L725-V736 HydrophobicContact CB-CG1 4.09Å; L725-V736 HydrophobicContact CD1-CG1 3.96Å; L725-V736 WeakPolarHBondContact CD1-O 3.36Å; L725-V736 WeakPolarHBondContact CD2-O 3.26Å; L725-L805 HydrophobicContact CD1-CB 4.27Å; L725-L805 HydrophobicContact CD1-CD1 4.01Å; L725-Y806 PolarHBondContact N-O 3.47Å; L725-I807 HydrophobicContact CB-CG1 4.38Å; L725-I807 WeakPolarHBondContact O-CA 3.27Å; L725-K808 PolarHBondContact O-N 3.31Å |
| 726 | S | 86.9 | Confident | 83.9 | Confident | 70 Ų | 70 | 70 Ų | 70 | 49% | 0.49 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 148.5 | -176.6 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | K808 | S726-K808 CarbonylContact C-O 3.17Å; S726-K808 VanDerWaalsContact CA-O 3.31Å; S726-K808 WeakPolarHBondContact CA-O 3.35Å |
| 727 | V | 88.5 | Confident | 83.8 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 142.7 | 179.1 | 61.2 | 0 | 0 | 0 | 0 | 109.7 | A734 T773 L777 I807 K808 V809 L810 | V727-A734 HydrophobicContact CG2-CB 3.69Å; V727-T773 HydrophobicContact CG2-CG2 4Å; V727-L777 HydrophobicContact CG1-CD1 3.58Å; V727-I807 HydrophobicContact CG1-CG2 4.04Å; V727-K808 PolarHBondContact N-O 2.99Å; V727-V809 CarbonylContact O-C 3.56Å; V727-V809 WeakPolarHBondContact O-CA 3.27Å; V727-L810 PolarHBondContact O-N 2.88Å |
| 728 | V | 85 | Confident | 83.8 | Confident | 65 Ų | 65 | 69.8 Ų | 69.8 | 39% | 0.394 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 147.5 | 175.4 | -169.1 | 0 | 0 | 0 | 0 | 109.1 | L810 I812 | V728-L810 HydrophobicContact CG2-CD1 4.45Å; V728-I812 HydrophobicContact CG1-CD1 4.18Å |
| 729 | E | 85.5 | Confident | 84.2 | Confident | 11 Ų | 11 | 67.8 Ų | 67.8 | 5% | 0.051 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 170.5 | 170 | 75.6 | -175.4 | 107.7 | 0 | 0 | 113 | E731 L777 N778 R779 V809 L810 D811 I812 | E729-E731 PolarHBondContact O-N 3.23Å; E729-L777 WeakPolarHBondContact CB-O 3.28Å; E729-N778 VanDerWaalsContact OE2-CA 3.24Å; E729-N778 WeakPolarHBondContact OE2-CA 3.26Å; E729-N778 PolarHBondContact OE2-ND2 3.47Å; E729-R779 WeakPolarHBondContact OE1-CB 3.29Å; E729-R779 PolarHBondContact OE2-N 2.88Å; E729-V809 HydrophobicContact CB-CG1 3.79Å; E729-L810 WeakPolarHBondContact CG-O 3.21Å; E729-L810 PolarHBondContact N-O 3.38Å; E729-D811 WeakPolarHBondContact OE1-CA 3.26Å; E729-I812 HydrophobicContact CG-CD1 4.02Å; E729-I812 HydrophobicContact CG-CG1 4.14Å |
| 730 | E | 79.5 | Confident | 84.7 | Confident | 100 Ų | 100 | 70.6 Ų | 70.6 | 47% | 0.467 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 2.2 | -178.1 | -79.5 | -67.7 | 100.5 | 0 | 0 | 117.7 | K776 L777 | E730-K776 WeakPolarHBondContact O-CD 3.32Å; E730-K776 WeakPolarHBondContact O-CE 3.48Å; E730-K776 WeakPolarHBondContact O-CG 3.41Å; E730-K776 PolarHBondContact O-NZ 3.17Å; E730-K776 WeakPolarHBondContact OE1-CD 3.44Å; E730-K776 IonicContact OE1-NZ 3.97Å; E730-K776 WeakPolarHBondContact OE2-CD 3.47Å; E730-K776 IonicContact OE2-NZ 2.63Å; E730-K776 PolarHBondContact OE2-NZ 2.83Å; E730-L777 PolarHBondContact N-O 3.15Å |
| 731 | E | 79.6 | Confident | 85.1 | Confident | 114 Ų | 114 | 61.2 Ų | 61.2 | 53% | 0.533 | 31% | 0.312 | S | S | . | . | trans | -101.9 | 139.8 | 173.6 | -166.7 | 173 | -139.5 | 0 | 0 | 113.1 | E729 A734 | E729-E731 PolarHBondContact O-N 3.23Å; E731-A734 HydrophobicContact CG-CB 4.37Å | ||
| 732 | A | 80.9 | Confident | 85.4 | Confident | 42 Ų | 42 | 63.8 Ų | 63.8 | 35% | 0.347 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -122.4 | 141 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A734 K776 | A732-A734 VanDerWaalsContact C-N 3.26Å; A732-K776 HydrophobicContact CB-CG 3.96Å |
| 733 | N | 85.4 | Confident | 85.9 | Confident | 99 Ų | 99 | 61 Ų | 61 | 53% | 0.529 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 69.4 | 15.8 | -167.4 | -55.9 | -87.8 | 0 | 0 | 0 | 114.9 | T773 | N733-T773 PolarHBondContact N-OG1 3.37Å; N733-T773 VanDerWaalsContact N-OG1 3.11Å |
| 734 | A | 84.1 | Confident | 85.9 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | trans | -53.9 | 142.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V727 E731 A732 Y772 T773 | V727-A734 HydrophobicContact CG2-CB 3.69Å; E731-A734 HydrophobicContact CG-CB 4.37Å; A732-A734 VanDerWaalsContact C-N 3.26Å; A734-Y772 CarbonylContact O-C 3.59Å; A734-Y772 WeakPolarHBondContact O-CA 3.49Å; A734-T773 HydrophobicContact CB-CG2 4.26Å; A734-T773 PolarHBondContact N-OG1 3.11Å; A734-T773 VanDerWaalsContact N-OG1 3.14Å; A734-T773 PolarHBondContact O-N 3Å | ||
| 735 | F | 88.9 | Confident | 85.9 | Confident | 114 Ų | 114 | 52.8 Ų | 52.8 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 136.9 | 173.7 | 173.1 | -105.5 | 0 | 0 | 0 | 110 | G737 I771 Y772 | F735-G737 WeakPolarHBondContact CE2-O 3.37Å; F735-G737 WeakPolarHBondContact CZ-O 3.37Å; F735-I771 WeakPolarHBondContact CD2-O 3.25Å; F735-Y772 HydrophobicContact CB-CD1 4.12Å; F735-Y772 HydrophobicContact CB-CE1 4.02Å; F735-Y772 HydrophobicContact CD2-CD1 4.22Å; F735-Y772 AromaticContact CD2-CE1 3.77Å; F735-Y772 HydrophobicContact CD2-CE1 3.77Å; F735-Y772 HydrophobicContact CD2-CE2 4.45Å; F735-Y772 AromaticContact CD2-CZ 3.88Å; F735-Y772 HydrophobicContact CG-CE1 4.38Å |
| 736 | V | 87.6 | Confident | 85.6 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | -38 | -173.9 | -176.2 | 0 | 0 | 0 | 0 | 112 | L725 F763 I771 T773 I807 | L725-V736 HydrophobicContact CB-CG1 4.09Å; L725-V736 HydrophobicContact CD1-CG1 3.96Å; L725-V736 WeakPolarHBondContact CD1-O 3.36Å; L725-V736 WeakPolarHBondContact CD2-O 3.26Å; V736-F763 HydrophobicContact CG2-CD1 4.14Å; V736-F763 HydrophobicContact CG2-CE1 4.16Å; V736-I771 HydrophobicContact CB-CG2 4.13Å; V736-I771 PolarHBondContact N-O 2.77Å; V736-T773 HydrophobicContact CG2-CG2 3.62Å; V736-I807 HydrophobicContact CG1-CD1 3.92Å; V736-I807 HydrophobicContact CG1-CG1 4.1Å; V736-I807 HydrophobicContact CG1-CG2 4.29Å |
| 737 | G | 86.8 | Confident | 85.3 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.5 | -170.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F735 S770 I771 | F735-G737 WeakPolarHBondContact CE2-O 3.37Å; F735-G737 WeakPolarHBondContact CZ-O 3.37Å; G737-S770 CarbonylContact O-C 3.38Å; G737-S770 WeakPolarHBondContact O-CA 3.35Å; G737-I771 PolarHBondContact N-O 2.95Å; G737-I771 PolarHBondContact O-N 3.46Å |
| 738 | Q | 88.3 | Confident | 85.1 | Confident | 93 Ų | 93 | 58.8 Ų | 58.8 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 152.2 | 176.9 | -177.9 | 170.9 | 2.8 | 0 | 0 | 111.4 | N768 G769 | Q738-N768 PolarHBondContact NE2-O 2.93Å; Q738-G769 WeakPolarHBondContact CA-O 3.4Å |
| 739 | V | 89.9 | Confident | 84.9 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | trans | -121.2 | 162.9 | 176.2 | -57.1 | 0 | 0 | 0 | 0 | 113.8 | F717 L721 Y754 I765 G769 I771 V789 L803 L805 | F717-V739 HydrophobicContact CD1-CB 4.43Å; F717-V739 HydrophobicContact CE1-CB 4.05Å; F717-V739 HydrophobicContact CE1-CG2 4.04Å; L721-V739 HydrophobicContact CD1-CB 3.98Å; L721-V739 HydrophobicContact CD1-CG1 4.34Å; V739-Y754 HydrophobicContact CG2-CD1 4.38Å; V739-I765 HydrophobicContact CG2-CD1 4.24Å; V739-G769 PolarHBondContact N-O 3.48Å; V739-I771 HydrophobicContact CG1-CD1 4.47Å; V739-V789 HydrophobicContact CG1-CG1 4.46Å; V739-V789 HydrophobicContact CG1-CG2 4.28Å; V739-V789 HydrophobicContact CG2-CG1 3.95Å; V739-L803 HydrophobicContact CB-CD2 4.47Å; V739-L803 HydrophobicContact CG1-CD2 3.88Å; V739-L805 HydrophobicContact CG1-CD1 4.46Å | ||
| 740 | R | 89 | Confident | 84.8 | Confident | 150 Ų | 150 | 57.9 Ų | 57.9 | 57% | 0.566 | 33% | 0.328 | S | S | * | . | trans | -152.4 | 152.2 | 178.9 | -173.5 | 177.7 | -179.6 | -174.4 | -0.8 | 111.8 | F717 D718 L721 Y754 | F717-R740 WeakPolarHBondContact CA-O 3.47Å; F717-R740 VanDerWaalsContact CD1-O 3.3Å; F717-R740 WeakPolarHBondContact CD1-O 3.47Å; D718-R740 HydrophobicContact CB-CB 4.2Å; D718-R740 PolarHBondContact N-O 3.43Å; L721-R740 HydrophobicContact CD2-CB 4.43Å; R740-Y754 WeakPolarHBondContact CA-OH 3.41Å | ||
| 741 | A | 88 | Confident | 85.1 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 160.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V716 F717 V752 Y754 A791 | V716-A741 CarbonylContact O-C 3.52Å; V716-A741 WeakPolarHBondContact O-CA 3.47Å; V716-A741 WeakPolarHBondContact O-CB 3.48Å; F717-A741 HydrophobicContact CD1-CB 4.21Å; F717-A741 HydrophobicContact CG-CB 4.31Å; A741-V752 HydrophobicContact CB-CG1 3.96Å; A741-Y754 HydrophobicContact CB-CE1 3.87Å; A741-Y754 PolarHBondContact N-OH 3.15Å; A741-A791 HydrophobicContact CB-CB 4.1Å |
| 742 | T | 86.5 | Confident | 85.5 | Confident | 77 Ų | 77 | 55.2 Ų | 55.2 | 47% | 0.472 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 156.7 | -174.7 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | P715 V716 | P715-T742 WeakPolarHBondContact CA-O 3.47Å; V716-T742 PolarHBondContact N-O 3.3Å; V716-T742 PolarHBondContact O-N 2.85Å |
| 743 | D | 87.2 | Confident | 85.9 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 10% | 0.102 | 33% | 0.326 | C | S | . | . | trans | -141.8 | 133.2 | -179.1 | -169.3 | -38.1 | 0 | 0 | 0 | 109 | A714 P715 V752 | A714-D743 WeakPolarHBondContact CA-OD2 3.27Å; P715-D743 WeakPolarHBondContact CD-OD2 3.43Å; P715-D743 HydrophobicContact CG-CB 4.37Å; P715-D743 WeakPolarHBondContact CG-OD2 3.31Å; D743-V752 HydrophobicContact CB-CG2 4.23Å | ||
| 744 | P | 83.5 | Confident | 86.2 | Confident | 85 Ų | 85 | 57 Ų | 57 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | trans | -95.7 | -9.3 | -166.3 | 37.5 | -38.5 | 0 | 0 | 0 | 116.9 | N713 | N713-P744 HydrophobicContact CB-CG 3.44Å; N713-P744 VanDerWaalsContact CB-CG 3.44Å | ||
| 745 | D | 85.5 | Confident | 86.5 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -64.6 | 154.4 | -176.9 | -82.4 | 1.4 | 0 | 0 | 0 | 113 | N711 D712 N713 N749 | N711-D745 WeakPolarHBondContact CA-OD2 3.3Å; N711-D745 VanDerWaalsContact CG-OD2 3.27Å; N711-D745 PolarHBondContact ND2-OD2 2.9Å; D712-D745 PolarHBondContact N-OD1 2.75Å; D712-D745 PolarHBondContact N-OD2 2.86Å; D712-D745 VanDerWaalsContact N-OD2 3.1Å; N713-D745 WeakPolarHBondContact CB-OD1 3.34Å; N713-D745 PolarHBondContact N-OD1 3.3Å; N713-D745 PolarHBondContact N-OD2 2.93Å; N713-D745 PolarHBondContact ND2-OD1 3.25Å; D745-N749 HydrophobicContact CB-CB 3.29Å |
| 746 | A | 81.5 | Confident | 86.7 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 33% | 0.331 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -68.4 | 133 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D709 N749 | D709-A746 WeakPolarHBondContact OD1-CB 3.47Å; A746-N749 PolarHBondContact O-ND2 3.27Å |
| 747 | G | 81.4 | Confident | 86.6 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 72% | 0.722 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | 77.3 | -130.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N749 G750 | G747-N749 PolarHBondContact O-N 2.87Å; G747-N749 VanDerWaalsContact O-N 3.17Å; G747-G750 PolarHBondContact O-N 2.75Å |
| 748 | I | 83 | Confident | 86.7 | Confident | 112 Ų | 112 | 59.5 Ų | 59.5 | 57% | 0.574 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -66 | -14.5 | -176.7 | 60 | 170.6 | 0 | 0 | 0 | 113.7 | G750 | I748-G750 VanDerWaalsContact C-N 3.26Å; I748-G750 PolarHBondContact O-N 3.18Å |
| 749 | N | 81.4 | Confident | 86.8 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 16% | 0.16 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -71.7 | -20.5 | -176.4 | -59.7 | -30.2 | 0 | 0 | 0 | 112.1 | N711 D745 A746 G747 | N711-N749 WeakPolarHBondContact ND2-CB 3.21Å; N711-N749 VanDerWaalsContact ND2-CG 3.25Å; N711-N749 PolarHBondContact ND2-OD1 3.34Å; D745-N749 HydrophobicContact CB-CB 3.29Å; A746-N749 PolarHBondContact O-ND2 3.27Å; G747-N749 PolarHBondContact O-N 2.87Å; G747-N749 VanDerWaalsContact O-N 3.17Å |
| 750 | G | 82.4 | Confident | 86.5 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 28% | 0.278 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -114.7 | 44.6 | -170 | 0 | 0 | 0 | 0 | 0 | 117.9 | G747 I748 | G747-G750 PolarHBondContact O-N 2.75Å; I748-G750 VanDerWaalsContact C-N 3.26Å; I748-G750 PolarHBondContact O-N 3.18Å |
| 751 | Q | 86.2 | Confident | 86.5 | Confident | 126 Ų | 126 | 62.4 Ų | 62.4 | 59% | 0.589 | 37% | 0.371 | S | S | * | . | trans | -125.5 | 129 | -172.6 | -175 | 176.1 | -1.9 | 0 | 0 | 114.4 | D793 G794 | Q751-D793 CarbonylContact O-C 3.6Å; Q751-D793 VanDerWaalsContact O-C 3.28Å; Q751-D793 WeakPolarHBondContact O-CA 3.41Å; Q751-G794 PolarHBondContact O-N 2.9Å; Q751-G794 VanDerWaalsContact O-N 3.15Å | ||
| 752 | V | 87.9 | Confident | 86.5 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 19% | 0.194 | 38% | 0.375 | C | S | . | . | trans | -122.8 | 152 | -158.4 | -168.6 | 0 | 0 | 0 | 0 | 117.1 | P715 A741 D743 A791 T792 | P715-V752 HydrophobicContact CB-CG1 4.22Å; P715-V752 HydrophobicContact CB-CG2 4.15Å; P715-V752 HydrophobicContact CG-CG2 4.34Å; A741-V752 HydrophobicContact CB-CG1 3.96Å; D743-V752 HydrophobicContact CB-CG2 4.23Å; V752-A791 HydrophobicContact CG1-CB 4.08Å; V752-T792 CarbonylContact C-O 3.59Å; V752-T792 VanDerWaalsContact CA-O 3.27Å; V752-T792 WeakPolarHBondContact CA-O 3.39Å | ||
| 753 | H | 89.2 | Confident | 86.8 | Confident | 114 Ų | 114 | 60 Ų | 60 | 53% | 0.528 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 171.1 | 176.8 | -60.5 | -22.8 | 0 | 0 | 0 | 114.4 | A791 T792 | H753-A791 WeakPolarHBondContact O-CA 3.35Å; H753-A791 VanDerWaalsContact O-CB 3.28Å; H753-A791 WeakPolarHBondContact O-CB 3.38Å; H753-T792 PolarHBondContact N-O 3.14Å; H753-T792 VanDerWaalsContact N-O 3.1Å; H753-T792 PolarHBondContact O-N 2.9Å |
| 754 | Y | 91.9 | Very high | 87 | Confident | 66 Ų | 66 | 64.2 Ų | 64.2 | 26% | 0.259 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 156 | -173.5 | -55 | -69.3 | 0 | 0 | 0 | 118.1 | F717 V739 R740 A741 V790 A791 | F717-Y754 HydrophobicContact CE1-CD1 4.12Å; F717-Y754 HydrophobicContact CE1-CE1 4.11Å; F717-Y754 HydrophobicContact CZ-CD1 4.27Å; V739-Y754 HydrophobicContact CG2-CD1 4.38Å; R740-Y754 WeakPolarHBondContact CA-OH 3.41Å; A741-Y754 HydrophobicContact CB-CE1 3.87Å; A741-Y754 PolarHBondContact N-OH 3.15Å; Y754-V790 CarbonylContact C-O 3.55Å; Y754-V790 VanDerWaalsContact CA-O 3.27Å; Y754-V790 WeakPolarHBondContact CA-O 3.37Å; Y754-A791 HydrophobicContact CD1-CB 3.97Å; Y754-A791 HydrophobicContact CE1-CB 4.2Å |
| 755 | S | 91.7 | Very high | 87.4 | Confident | 57 Ų | 57 | 62.2 Ų | 62.2 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 170.3 | 167.2 | 65.1 | 0 | 0 | 0 | 0 | 116 | V789 V790 | S755-V789 CarbonylContact O-C 3.58Å; S755-V789 WeakPolarHBondContact O-CA 3.06Å; S755-V789 WeakPolarHBondContact O-CG1 3.41Å; S755-V790 PolarHBondContact N-O 2.97Å; S755-V790 PolarHBondContact O-N 3.15Å |
| 756 | L | 91.4 | Very high | 87.6 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 154.8 | 175.7 | -85.3 | 176.9 | 0 | 0 | 0 | 113.9 | I765 L787 V788 V789 | L756-I765 HydrophobicContact CB-CG2 4.32Å; L756-I765 HydrophobicContact CD1-CB 3.87Å; L756-I765 HydrophobicContact CD1-CG2 3.98Å; L756-I765 HydrophobicContact CD2-CB 4.31Å; L756-I765 HydrophobicContact CD2-CD1 4.29Å; L756-I765 HydrophobicContact CG-CB 3.69Å; L756-I765 HydrophobicContact CG-CD1 4.34Å; L756-I765 HydrophobicContact CG-CG2 3.62Å; L756-L787 HydrophobicContact CD2-CD1 4.03Å; L756-L787 HydrophobicContact CD2-CD2 4.28Å; L756-L787 HydrophobicContact CD2-CG 4.04Å; L756-V788 WeakPolarHBondContact CA-O 2.99Å; L756-V788 WeakPolarHBondContact CD2-O 3.33Å; L756-V789 HydrophobicContact CD2-CG2 4.23Å |
| 757 | G | 85.5 | Confident | 87.8 | Confident | 50 Ų | 50 | 67.9 Ų | 67.9 | 52% | 0.515 | 39% | 0.388 | S | S | . | . | trans | -110.7 | -25.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | V788 | G757-V788 PolarHBondContact N-O 2.82Š| ||
| 758 | N | 90.1 | Very high | 88.1 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -153.8 | 173.4 | -176.5 | 69.5 | -17.7 | 0 | 0 | 0 | 113.9 | N760 E786 L787 V788 | N758-N760 VanDerWaalsContact C-N 3.27Å; N758-N760 PolarHBondContact O-N 2.85Å; N758-N760 PolarHBondContact O-OD1 2.95Å; N758-N760 VanDerWaalsContact O-OD1 3.09Å; N758-E786 PolarHBondContact ND2-O 2.59Å; N758-L787 VanDerWaalsContact O-CD1 3.26Å; N758-L787 WeakPolarHBondContact O-CD1 3.07Å; N758-L787 WeakPolarHBondContact OD1-CA 3.33Å; N758-V788 PolarHBondContact OD1-N 2.95Å |
| 759 | F | 89.4 | Confident | 88.3 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 33% | 0.329 | 35% | 0.348 | S | S | . | . | trans | 52.5 | 30.9 | 178.6 | -66.5 | -72.2 | 0 | 0 | 0 | 116.8 | N761 L762 F763 E786 L787 | F759-N761 PolarHBondContact O-N 3.34Å; F759-L762 HydrophobicContact CD1-CD1 4.02Å; F759-L762 PolarHBondContact O-N 2.64Å; F759-F763 HydrophobicContact CB-CD2 3.78Å; F759-F763 HydrophobicContact CB-CE2 4.28Å; F759-F763 PolarHBondContact O-N 2.78Å; F759-E786 WeakPolarHBondContact CD2-O 3.37Å; F759-E786 WeakPolarHBondContact CE2-O 3.48Å; F759-L787 HydrophobicContact CB-CD1 4.13Å | ||
| 760 | N | 84.7 | Confident | 88.7 | Confident | 117 Ų | 117 | 62.1 Ų | 62.1 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -7.6 | 179.9 | -56.3 | 4.8 | 0 | 0 | 0 | 115.6 | N758 | N758-N760 VanDerWaalsContact C-N 3.27Å; N758-N760 PolarHBondContact O-N 2.85Å; N758-N760 PolarHBondContact O-OD1 2.95Å; N758-N760 VanDerWaalsContact O-OD1 3.09Å |
| 761 | N | 88.2 | Confident | 89.2 | Confident | 115 Ų | 115 | 60.8 Ų | 60.8 | 62% | 0.615 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -13.3 | 174.1 | 68.5 | -58.9 | 0 | 0 | 0 | 113.7 | F759 | F759-N761 PolarHBondContact O-N 3.34Š|
| 762 | L | 88.6 | Confident | 89.4 | Confident | 30 Ų | 30 | 58 Ų | 58 | 16% | 0.157 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | -26.9 | 177.4 | -59.5 | -179 | 0 | 0 | 0 | 112 | F759 T773 A774 V775 Y785 | F759-L762 HydrophobicContact CD1-CD1 4.02Å; F759-L762 PolarHBondContact O-N 2.64Å; L762-T773 CarbonylContact O-C 3.35Å; L762-T773 WeakPolarHBondContact O-CA 3.22Å; L762-A774 PolarHBondContact O-N 2.84Å; L762-V775 HydrophobicContact CD2-CG2 3.66Å; L762-Y785 HydrophobicContact CD1-CD1 3.93Å; L762-Y785 HydrophobicContact CD1-CE1 3.55Å |
| 763 | F | 91.4 | Very high | 89.5 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 158.1 | -177.8 | -53.1 | -80.4 | 0 | 0 | 0 | 113 | V736 F759 I771 Y772 T773 Y785 L787 I807 | V736-F763 HydrophobicContact CG2-CD1 4.14Å; V736-F763 HydrophobicContact CG2-CE1 4.16Å; F759-F763 HydrophobicContact CB-CD2 3.78Å; F759-F763 HydrophobicContact CB-CE2 4.28Å; F759-F763 PolarHBondContact O-N 2.78Å; F763-I771 HydrophobicContact CB-CG2 4.5Å; F763-Y772 VanDerWaalsContact CA-O 3.23Å; F763-Y772 WeakPolarHBondContact CA-O 3.48Å; F763-T773 HydrophobicContact CD1-CG2 4.3Å; F763-T773 HydrophobicContact CE1-CG2 3.99Å; F763-Y785 HydrophobicContact CE2-CG 4.37Å; F763-Y785 HydrophobicContact CZ-CD2 4.49Å; F763-Y785 HydrophobicContact CZ-CG 4.35Å; F763-L787 HydrophobicContact CB-CD1 4.05Å; F763-L787 HydrophobicContact CB-CD2 4.01Å; F763-L787 HydrophobicContact CD2-CD1 3.97Å; F763-L787 HydrophobicContact CD2-CD2 4.43Å; F763-L787 HydrophobicContact CG-CD1 4.26Å; F763-L787 HydrophobicContact CG-CD2 4.11Å; F763-I807 HydrophobicContact CD1-CD1 4.14Å; F763-I807 HydrophobicContact CD2-CD1 4.41Å; F763-I807 HydrophobicContact CE1-CD1 3.6Å; F763-I807 HydrophobicContact CE1-CG2 4.4Å; F763-I807 HydrophobicContact CE2-CD1 3.92Å; F763-I807 HydrophobicContact CZ-CD1 3.49Å; F763-I807 VanDerWaalsContact CZ-CD1 3.49Å; F763-I807 HydrophobicContact CZ-CG2 4.32Å |
| 764 | R | 91.6 | Very high | 89.4 | Confident | 109 Ų | 109 | 53.5 Ų | 53.5 | 41% | 0.411 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 147.6 | 178.2 | 61 | -177.1 | 177 | 90.4 | 3.7 | 111.8 | I771 Y772 | R764-I771 VanDerWaalsContact O-CA 3.28Å; R764-I771 WeakPolarHBondContact O-CA 3.3Å; R764-Y772 PolarHBondContact N-O 3.23Å; R764-Y772 VanDerWaalsContact N-O 3.08Å; R764-Y772 PolarHBondContact O-N 2.75Å; R764-Y772 VanDerWaalsContact O-N 3.14Å |
| 765 | I | 92.4 | Very high | 89.2 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 167.2 | 175.2 | -156.2 | 163.3 | 0 | 0 | 0 | 112.3 | V739 L756 S770 I771 V789 | V739-I765 HydrophobicContact CG2-CD1 4.24Å; L756-I765 HydrophobicContact CB-CG2 4.32Å; L756-I765 HydrophobicContact CD1-CB 3.87Å; L756-I765 HydrophobicContact CD1-CG2 3.98Å; L756-I765 HydrophobicContact CD2-CB 4.31Å; L756-I765 HydrophobicContact CD2-CD1 4.29Å; L756-I765 HydrophobicContact CG-CB 3.69Å; L756-I765 HydrophobicContact CG-CD1 4.34Å; L756-I765 HydrophobicContact CG-CG2 3.62Å; I765-S770 CarbonylContact C-O 3.6Å; I765-S770 VanDerWaalsContact CA-O 3.31Å; I765-S770 WeakPolarHBondContact CA-O 3.27Å; I765-I771 HydrophobicContact CD1-CD1 4.38Å; I765-I771 HydrophobicContact CD1-CG1 4.12Å; I765-I771 HydrophobicContact CG1-CG1 3.96Å; I765-V789 HydrophobicContact CD1-CG1 3.52Å |
| 766 | T | 89.8 | Confident | 88.9 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 31% | 0.307 | 31% | 0.309 | S | S | . | . | trans | -132.3 | 166.5 | -179.6 | 48.2 | 0 | 0 | 0 | 0 | 111.6 | N768 G769 S770 | T766-N768 PolarHBondContact O-N 3.21Å; T766-N768 PolarHBondContact OG1-OD1 3.01Å; T766-G769 WeakPolarHBondContact O-CA 3.29Å; T766-G769 PolarHBondContact O-N 3.35Å; T766-S770 PolarHBondContact N-O 3.48Å; T766-S770 VanDerWaalsContact N-O 3.07Å; T766-S770 WeakPolarHBondContact OG1-CA 3.47Å; T766-S770 VanDerWaalsContact OG1-CB 3.3Å; T766-S770 WeakPolarHBondContact OG1-CB 3.46Å; T766-S770 PolarHBondContact OG1-N 3.41Å; T766-S770 VanDerWaalsContact OG1-N 3.1Å; T766-S770 PolarHBondContact OG1-O 3.45Å | ||
| 767 | S | 85.2 | Confident | 88.8 | Confident | 119 Ų | 119 | 54.9 Ų | 54.9 | 83% | 0.832 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -13.7 | -172.2 | 53.8 | 0 | 0 | 0 | 0 | 115.5 | ||
| 768 | N | 87.5 | Confident | 88.8 | Confident | 82 Ų | 82 | 55.5 Ų | 55.5 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 6.4 | 170.2 | 71.8 | -21.7 | 0 | 0 | 0 | 112.8 | Q738 T766 S770 | Q738-N768 PolarHBondContact NE2-O 2.93Å; T766-N768 PolarHBondContact O-N 3.21Å; T766-N768 PolarHBondContact OG1-OD1 3.01Å; N768-S770 PolarHBondContact ND2-OG 2.86Å; N768-S770 PolarHBondContact OD1-N 2.88Å; N768-S770 PolarHBondContact OD1-OG 3.02Å |
| 769 | G | 87 | Confident | 88.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | 90.6 | 1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q738 V739 T766 | Q738-G769 WeakPolarHBondContact CA-O 3.4Å; V739-G769 PolarHBondContact N-O 3.48Å; T766-G769 WeakPolarHBondContact O-CA 3.29Å; T766-G769 PolarHBondContact O-N 3.35Å | ||
| 770 | S | 91.1 | Very high | 88.5 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 140.9 | -174.9 | -51.3 | 0 | 0 | 0 | 0 | 113.7 | G737 I765 T766 N768 | G737-S770 CarbonylContact O-C 3.38Å; G737-S770 WeakPolarHBondContact O-CA 3.35Å; I765-S770 CarbonylContact C-O 3.6Å; I765-S770 VanDerWaalsContact CA-O 3.31Å; I765-S770 WeakPolarHBondContact CA-O 3.27Å; T766-S770 PolarHBondContact N-O 3.48Å; T766-S770 VanDerWaalsContact N-O 3.07Å; T766-S770 WeakPolarHBondContact OG1-CA 3.47Å; T766-S770 VanDerWaalsContact OG1-CB 3.3Å; T766-S770 WeakPolarHBondContact OG1-CB 3.46Å; T766-S770 PolarHBondContact OG1-N 3.41Å; T766-S770 VanDerWaalsContact OG1-N 3.1Å; T766-S770 PolarHBondContact OG1-O 3.45Å; N768-S770 PolarHBondContact ND2-OG 2.86Å; N768-S770 PolarHBondContact OD1-N 2.88Å; N768-S770 PolarHBondContact OD1-OG 3.02Å |
| 771 | I | 91.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 139.4 | -169.3 | -54.5 | 175.1 | 0 | 0 | 0 | 111.7 | F735 V736 G737 V739 F763 R764 I765 L787 V789 L805 | F735-I771 WeakPolarHBondContact CD2-O 3.25Å; V736-I771 HydrophobicContact CB-CG2 4.13Å; V736-I771 PolarHBondContact N-O 2.77Å; G737-I771 PolarHBondContact N-O 2.95Å; G737-I771 PolarHBondContact O-N 3.46Å; V739-I771 HydrophobicContact CG1-CD1 4.47Å; F763-I771 HydrophobicContact CB-CG2 4.5Å; R764-I771 VanDerWaalsContact O-CA 3.28Å; R764-I771 WeakPolarHBondContact O-CA 3.3Å; I765-I771 HydrophobicContact CD1-CD1 4.38Å; I765-I771 HydrophobicContact CD1-CG1 4.12Å; I765-I771 HydrophobicContact CG1-CG1 3.96Å; I771-L787 HydrophobicContact CD1-CD2 4.14Å; I771-L787 HydrophobicContact CG2-CD2 3.61Å; I771-V789 HydrophobicContact CD1-CG2 4.48Å; I771-L805 HydrophobicContact CD1-CD1 3.49Å; I771-L805 VanDerWaalsContact CD1-CD1 3.49Å |
| 772 | Y | 92 | Very high | 88.2 | Confident | 68 Ų | 68 | 56 Ų | 56 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 157.9 | -178.6 | -60.5 | -97.7 | 0 | 0 | 0 | 112.4 | A734 F735 F763 R764 | A734-Y772 CarbonylContact O-C 3.59Å; A734-Y772 WeakPolarHBondContact O-CA 3.49Å; F735-Y772 HydrophobicContact CB-CD1 4.12Å; F735-Y772 HydrophobicContact CB-CE1 4.02Å; F735-Y772 HydrophobicContact CD2-CD1 4.22Å; F735-Y772 AromaticContact CD2-CE1 3.77Å; F735-Y772 HydrophobicContact CD2-CE1 3.77Å; F735-Y772 HydrophobicContact CD2-CE2 4.45Å; F735-Y772 AromaticContact CD2-CZ 3.88Å; F735-Y772 HydrophobicContact CG-CE1 4.38Å; F763-Y772 VanDerWaalsContact CA-O 3.23Å; F763-Y772 WeakPolarHBondContact CA-O 3.48Å; R764-Y772 PolarHBondContact N-O 3.23Å; R764-Y772 VanDerWaalsContact N-O 3.08Å; R764-Y772 PolarHBondContact O-N 2.75Å; R764-Y772 VanDerWaalsContact O-N 3.14Å |
| 773 | T | 89.2 | Confident | 88.1 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 165.1 | 166.5 | 74.4 | 0 | 0 | 0 | 0 | 112.5 | V727 N733 A734 V736 L762 F763 | V727-T773 HydrophobicContact CG2-CG2 4Å; N733-T773 PolarHBondContact N-OG1 3.37Å; N733-T773 VanDerWaalsContact N-OG1 3.11Å; A734-T773 HydrophobicContact CB-CG2 4.26Å; A734-T773 PolarHBondContact N-OG1 3.11Å; A734-T773 VanDerWaalsContact N-OG1 3.14Å; A734-T773 PolarHBondContact O-N 3Å; V736-T773 HydrophobicContact CG2-CG2 3.62Å; L762-T773 CarbonylContact O-C 3.35Å; L762-T773 WeakPolarHBondContact O-CA 3.22Å; F763-T773 HydrophobicContact CD1-CG2 4.3Å; F763-T773 HydrophobicContact CE1-CG2 3.99Å |
| 774 | A | 86.9 | Confident | 88 | Confident | 48 Ų | 48 | 61.3 Ų | 61.3 | 40% | 0.397 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -117.3 | -16.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L762 | L762-A774 PolarHBondContact O-N 2.84Š|
| 775 | V | 87.6 | Confident | 87.9 | Confident | 65 Ų | 65 | 57.5 Ų | 57.5 | 39% | 0.394 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -145.5 | 165.2 | -175.9 | -68.9 | 0 | 0 | 0 | 0 | 110.8 | L762 | L762-V775 HydrophobicContact CD2-CG2 3.66Š|
| 776 | K | 85.9 | Confident | 87.8 | Confident | 108 Ų | 108 | 60.9 Ų | 60.9 | 47% | 0.47 | 32% | 0.324 | S | S | . | . | trans | -65.2 | 157.1 | 166.5 | -65.8 | -168.4 | 170 | -129.7 | 0 | 111 | E730 A732 | E730-K776 WeakPolarHBondContact O-CD 3.32Å; E730-K776 WeakPolarHBondContact O-CE 3.48Å; E730-K776 WeakPolarHBondContact O-CG 3.41Å; E730-K776 PolarHBondContact O-NZ 3.17Å; E730-K776 WeakPolarHBondContact OE1-CD 3.44Å; E730-K776 IonicContact OE1-NZ 3.97Å; E730-K776 WeakPolarHBondContact OE2-CD 3.47Å; E730-K776 IonicContact OE2-NZ 2.63Å; E730-K776 PolarHBondContact OE2-NZ 2.83Å; A732-K776 HydrophobicContact CB-CG 3.96Å | ||
| 777 | L | 88.4 | Confident | 87.8 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | trans | -124.6 | 163.3 | 174.6 | -55.2 | 175.8 | 0 | 0 | 0 | 109.2 | V727 E729 E730 Y785 V809 | V727-L777 HydrophobicContact CG1-CD1 3.58Å; E729-L777 WeakPolarHBondContact CB-O 3.28Å; E730-L777 PolarHBondContact N-O 3.15Å; L777-Y785 HydrophobicContact CD1-CE2 4.2Å; L777-Y785 HydrophobicContact CD2-CE2 4.05Å; L777-V809 HydrophobicContact CB-CG1 4.39Å; L777-V809 HydrophobicContact CB-CG2 4.42Å; L777-V809 HydrophobicContact CD1-CG2 3.95Å | ||
| 778 | N | 86.6 | Confident | 88.1 | Confident | 63 Ų | 63 | 55 Ų | 55 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | trans | -142.1 | 134 | 173.2 | 164.7 | -104.7 | 0 | 0 | 0 | 110 | E729 E780 A781 R782 | E729-N778 VanDerWaalsContact OE2-CA 3.24Å; E729-N778 WeakPolarHBondContact OE2-CA 3.26Å; E729-N778 PolarHBondContact OE2-ND2 3.47Å; N778-E780 PolarHBondContact ND2-OE2 3.36Å; N778-A781 VanDerWaalsContact OD1-CB 3.29Å; N778-A781 WeakPolarHBondContact OD1-CB 3.47Å; N778-A781 PolarHBondContact OD1-N 3.13Å; N778-R782 PolarHBondContact O-N 3.32Å; N778-R782 VanDerWaalsContact O-O 3.09Å | ||
| 779 | R | 87.2 | Confident | 88.2 | Confident | 49 Ų | 49 | 51 Ų | 51 | 19% | 0.185 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -38.1 | -170.4 | -171.6 | -168.7 | 59.4 | 65.9 | -4.8 | 113.3 | E729 A781 R782 V809 D811 | E729-R779 WeakPolarHBondContact OE1-CB 3.29Å; E729-R779 PolarHBondContact OE2-N 2.88Å; R779-A781 PolarHBondContact O-N 2.59Å; R779-R782 PolarHBondContact O-N 3.1Å; R779-V809 HydrophobicContact CB-CG1 4.19Å; R779-D811 IonicContact CZ-OD1 3.32Å; R779-D811 IonicContact NE-OD1 3.72Å; R779-D811 PolarHBondContact NE-OD1 3.23Å; R779-D811 IonicContact NH2-OD1 2.83Å; R779-D811 PolarHBondContact NH2-OD1 2.79Å; R779-D811 IonicContact NH2-OD2 3.34Å |
| 780 | E | 84.8 | Confident | 88.4 | Confident | 114 Ų | 114 | 52.9 Ų | 52.9 | 53% | 0.533 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -29.7 | 178.6 | -68.1 | 55.3 | -107.1 | 0 | 0 | 110.3 | N778 | N778-E780 PolarHBondContact ND2-OE2 3.36Š|
| 781 | A | 81.4 | Confident | 88.4 | Confident | 83 Ų | 83 | 52.6 Ų | 52.6 | 69% | 0.686 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -43.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N778 R779 | N778-A781 VanDerWaalsContact OD1-CB 3.29Å; N778-A781 WeakPolarHBondContact OD1-CB 3.47Å; N778-A781 PolarHBondContact OD1-N 3.13Å; R779-A781 PolarHBondContact O-N 2.59Å |
| 782 | R | 85.5 | Confident | 88.3 | Confident | 117 Ų | 117 | 55.2 Ų | 55.2 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | trans | -162.4 | 137.6 | 180 | -174.5 | 172.7 | 174 | 132 | 10.3 | 114.8 | N778 R779 H784 | N778-R782 PolarHBondContact O-N 3.32Å; N778-R782 VanDerWaalsContact O-O 3.09Å; R779-R782 PolarHBondContact O-N 3.1Å; R782-H784 PolarHBondContact NE-O 3.45Å; R782-H784 PolarHBondContact NH2-O 3.35Å | ||
| 783 | D | 86.1 | Confident | 88.1 | Confident | 86 Ų | 86 | 52.6 Ų | 52.6 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | trans | -102.2 | -20.1 | -171.8 | 66.8 | -22.7 | 0 | 0 | 0 | 117.2 | V809 | D783-V809 PolarHBondContact O-N 3.11Š| ||
| 784 | H | 89.8 | Confident | 87.8 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 28% | 0.282 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 161.8 | -175.3 | 72.7 | -79.6 | 0 | 0 | 0 | 118.6 | R782 Y806 I807 | R782-H784 PolarHBondContact NE-O 3.45Å; R782-H784 PolarHBondContact NH2-O 3.35Å; H784-Y806 HydrophobicContact CB-CE1 4.42Å; H784-Y806 HydrophobicContact CB-CE2 4.25Å; H784-Y806 WeakPolarHBondContact CB-OH 3.26Å; H784-Y806 AromaticContact CD2-CE2 3.75Å; H784-I807 CarbonylContact C-O 3.46Å; H784-I807 VanDerWaalsContact CA-O 3.24Å; H784-I807 WeakPolarHBondContact CA-O 3.19Å |
| 785 | Y | 89.6 | Confident | 87.2 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 11% | 0.114 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 164.5 | -179.3 | -56.9 | -92.2 | 0 | 0 | 0 | 113.5 | L762 F763 L777 I807 V809 | L762-Y785 HydrophobicContact CD1-CD1 3.93Å; L762-Y785 HydrophobicContact CD1-CE1 3.55Å; F763-Y785 HydrophobicContact CE2-CG 4.37Å; F763-Y785 HydrophobicContact CZ-CD2 4.49Å; F763-Y785 HydrophobicContact CZ-CG 4.35Å; L777-Y785 HydrophobicContact CD1-CE2 4.2Å; L777-Y785 HydrophobicContact CD2-CE2 4.05Å; Y785-I807 PolarHBondContact N-O 3.03Å; Y785-I807 PolarHBondContact O-N 2.65Å; Y785-V809 HydrophobicContact CE2-CG2 4.13Å |
| 786 | E | 90.1 | Very high | 86.9 | Confident | 113 Ų | 113 | 55.7 Ų | 55.7 | 53% | 0.528 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 123.6 | -179.9 | -64.7 | -175.9 | 158.2 | 0 | 0 | 113 | N758 F759 L805 Y806 | N758-E786 PolarHBondContact ND2-O 2.59Å; F759-E786 WeakPolarHBondContact CD2-O 3.37Å; F759-E786 WeakPolarHBondContact CE2-O 3.48Å; E786-L805 CarbonylContact C-O 3.55Å; E786-L805 WeakPolarHBondContact CA-O 3.35Å; E786-Y806 HydrophobicContact CG-CD2 4.07Å |
| 787 | L | 90.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.2 | -167.8 | -172.3 | 68.9 | 0 | 0 | 0 | 113.5 | L756 N758 F759 F763 I771 T804 L805 I807 | L756-L787 HydrophobicContact CD2-CD1 4.03Å; L756-L787 HydrophobicContact CD2-CD2 4.28Å; L756-L787 HydrophobicContact CD2-CG 4.04Å; N758-L787 VanDerWaalsContact O-CD1 3.26Å; N758-L787 WeakPolarHBondContact O-CD1 3.07Å; N758-L787 WeakPolarHBondContact OD1-CA 3.33Å; F759-L787 HydrophobicContact CB-CD1 4.13Å; F763-L787 HydrophobicContact CB-CD1 4.05Å; F763-L787 HydrophobicContact CB-CD2 4.01Å; F763-L787 HydrophobicContact CD2-CD1 3.97Å; F763-L787 HydrophobicContact CD2-CD2 4.43Å; F763-L787 HydrophobicContact CG-CD1 4.26Å; F763-L787 HydrophobicContact CG-CD2 4.11Å; I771-L787 HydrophobicContact CD1-CD2 4.14Å; I771-L787 HydrophobicContact CG2-CD2 3.61Å; L787-T804 CarbonylContact O-C 3.49Å; L787-T804 WeakPolarHBondContact O-CA 3.4Å; L787-L805 HydrophobicContact CB-CB 4.42Å; L787-L805 PolarHBondContact N-O 2.83Å; L787-L805 PolarHBondContact O-N 3.27Å; L787-I807 HydrophobicContact CB-CD1 3.92Å; L787-I807 HydrophobicContact CD2-CD1 4.08Å |
| 788 | V | 91.1 | Very high | 86.3 | Confident | 44 Ų | 44 | 61.8 Ų | 61.8 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.9 | -170 | -179.9 | 0 | 0 | 0 | 0 | 113.4 | L756 G757 N758 L803 T804 | L756-V788 WeakPolarHBondContact CA-O 2.99Å; L756-V788 WeakPolarHBondContact CD2-O 3.33Å; G757-V788 PolarHBondContact N-O 2.82Å; N758-V788 PolarHBondContact OD1-N 2.95Å; V788-L803 CarbonylContact C-O 3.51Å; V788-L803 WeakPolarHBondContact CA-O 3.4Å; V788-T804 HydrophobicContact CG2-CG2 4.09Å |
| 789 | V | 90.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 155.1 | -172.4 | -154.6 | 0 | 0 | 0 | 0 | 112.6 | F717 V739 S755 L756 I765 I771 T802 L803 L805 | F717-V789 HydrophobicContact CZ-CB 4.45Å; F717-V789 HydrophobicContact CZ-CG1 4.28Å; V739-V789 HydrophobicContact CG1-CG1 4.46Å; V739-V789 HydrophobicContact CG1-CG2 4.28Å; V739-V789 HydrophobicContact CG2-CG1 3.95Å; S755-V789 CarbonylContact O-C 3.58Å; S755-V789 WeakPolarHBondContact O-CA 3.06Å; S755-V789 WeakPolarHBondContact O-CG1 3.41Å; L756-V789 HydrophobicContact CD2-CG2 4.23Å; I765-V789 HydrophobicContact CD1-CG1 3.52Å; I771-V789 HydrophobicContact CD1-CG2 4.48Å; V789-T802 CarbonylContact O-C 3.51Å; V789-T802 WeakPolarHBondContact O-CA 3.42Å; V789-L803 HydrophobicContact CB-CB 4.49Å; V789-L803 PolarHBondContact N-O 3Å; V789-L803 PolarHBondContact O-N 2.88Å; V789-L805 HydrophobicContact CG2-CD1 4.04Å |
| 790 | V | 91.1 | Very high | 86.3 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 149.5 | -170.4 | -173.6 | 0 | 0 | 0 | 0 | 112.7 | F717 Y754 S755 T802 | F717-V790 VanDerWaalsContact CZ-C 3.49Å; Y754-V790 CarbonylContact C-O 3.55Å; Y754-V790 VanDerWaalsContact CA-O 3.27Å; Y754-V790 WeakPolarHBondContact CA-O 3.37Å; S755-V790 PolarHBondContact N-O 2.97Å; S755-V790 PolarHBondContact O-N 3.15Å; V790-T802 HydrophobicContact CB-CG2 4.45Å; V790-T802 HydrophobicContact CG1-CG2 4.18Å; V790-T802 HydrophobicContact CG2-CG2 4.1Å |
| 791 | A | 89.8 | Confident | 86.6 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.008 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 154.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F717 A741 V752 H753 Y754 H800 S801 | F717-A791 HydrophobicContact CD2-CB 4.24Å; F717-A791 HydrophobicContact CE1-CB 4.32Å; F717-A791 HydrophobicContact CE2-CB 3.52Å; F717-A791 HydrophobicContact CZ-CB 3.57Å; A741-A791 HydrophobicContact CB-CB 4.1Å; V752-A791 HydrophobicContact CG1-CB 4.08Å; H753-A791 WeakPolarHBondContact O-CA 3.35Å; H753-A791 VanDerWaalsContact O-CB 3.28Å; H753-A791 WeakPolarHBondContact O-CB 3.38Å; Y754-A791 HydrophobicContact CD1-CB 3.97Å; Y754-A791 HydrophobicContact CE1-CB 4.2Å; A791-H800 CarbonylContact O-C 3.28Å; A791-H800 VanDerWaalsContact O-CA 3.27Å; A791-H800 WeakPolarHBondContact O-CA 3.28Å; A791-H800 WeakPolarHBondContact O-CB 3.34Å; A791-S801 PolarHBondContact N-O 2.84Å; A791-S801 PolarHBondContact O-N 3.32Å |
| 792 | T | 90 | Very high | 87 | Confident | 55 Ų | 55 | 64 Ų | 64 | 34% | 0.337 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 151.7 | -170.2 | 61.3 | 0 | 0 | 0 | 0 | 114.5 | V752 H753 H800 | V752-T792 CarbonylContact C-O 3.59Å; V752-T792 VanDerWaalsContact CA-O 3.27Å; V752-T792 WeakPolarHBondContact CA-O 3.39Å; H753-T792 PolarHBondContact N-O 3.14Å; H753-T792 VanDerWaalsContact N-O 3.1Å; H753-T792 PolarHBondContact O-N 2.9Å; T792-H800 HydrophobicContact CG2-CB 3.83Å |
| 793 | D | 88.3 | Confident | 87.3 | Confident | 13 Ų | 13 | 59 Ų | 59 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | trans | -89.2 | -174.6 | 175.4 | 76.9 | 54.6 | 0 | 0 | 0 | 116.2 | P715 Q751 A795 P798 R799 | P715-D793 HydrophobicContact CG-CB 3.52Å; Q751-D793 CarbonylContact O-C 3.6Å; Q751-D793 VanDerWaalsContact O-C 3.28Å; Q751-D793 WeakPolarHBondContact O-CA 3.41Å; D793-A795 WeakPolarHBondContact OD1-CB 3.49Å; D793-A795 PolarHBondContact OD1-N 2.89Å; D793-P798 WeakPolarHBondContact OD1-CA 3.28Å; D793-P798 WeakPolarHBondContact OD1-CB 3.4Å; D793-R799 PolarHBondContact N-O 2.92Å; D793-R799 VanDerWaalsContact OD2-CA 3.32Å; D793-R799 WeakPolarHBondContact OD2-CA 3.41Å; D793-R799 VanDerWaalsContact OD2-CB 3.23Å; D793-R799 WeakPolarHBondContact OD2-CB 3.31Å; D793-R799 PolarHBondContact OD2-N 2.88Å | ||
| 794 | G | 82 | Confident | 87.4 | Confident | 45 Ų | 45 | 58.2 Ų | 58.2 | 46% | 0.464 | 32% | 0.321 | S | S | . | . | trans | -121.1 | 16.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q751 | Q751-G794 PolarHBondContact O-N 2.9Å; Q751-G794 VanDerWaalsContact O-N 3.15Å | ||
| 795 | A | 75.9 | Confident | 87.4 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -72.4 | 168.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | D793 H797 | D793-A795 WeakPolarHBondContact OD1-CB 3.49Å; D793-A795 PolarHBondContact OD1-N 2.89Å; A795-H797 PolarHBondContact O-N 3.02Å |
| 796 | V | 79.4 | Confident | 87.4 | Confident | 119 Ų | 119 | 58.2 Ų | 58.2 | 72% | 0.721 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -64.4 | -26.1 | 176.6 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 797 | H | 80.3 | Confident | 87.4 | Confident | 164 Ų | 164 | 52.8 Ų | 52.8 | 76% | 0.759 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -130 | 82.8 | 173.8 | -60.4 | 109.2 | 0 | 0 | 0 | 109 | A795 | A795-H797 PolarHBondContact O-N 3.02Š|
| 798 | P | 81.6 | Confident | 87.4 | Confident | 85 Ų | 85 | 58.2 Ų | 58.2 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | trans | -80.3 | 152.5 | -161.8 | 30.9 | -36.9 | 0 | 0 | 0 | 115.1 | D793 | D793-P798 WeakPolarHBondContact OD1-CA 3.28Å; D793-P798 WeakPolarHBondContact OD1-CB 3.4Å | ||
| 799 | R | 85.9 | Confident | 87.2 | Confident | 96 Ų | 96 | 56.2 Ų | 56.2 | 36% | 0.362 | 31% | 0.306 | S | S | . | . | trans | -120.8 | 165.4 | -175.5 | -51 | 170.1 | 176.2 | -156.9 | 7.4 | 110.2 | D712 N713 A714 D793 | D712-R799 VanDerWaalsContact O-CZ 3.29Å; D712-R799 PolarHBondContact O-NH1 3.12Å; D712-R799 PolarHBondContact O-NH2 3.39Å; N713-R799 WeakPolarHBondContact O-CD 3.47Å; N713-R799 PolarHBondContact O-NE 2.93Å; N713-R799 PolarHBondContact O-NH1 3.14Å; A714-R799 HydrophobicContact CB-CB 3.88Å; A714-R799 HydrophobicContact CB-CG 4.46Å; D793-R799 PolarHBondContact N-O 2.92Å; D793-R799 VanDerWaalsContact OD2-CA 3.32Å; D793-R799 WeakPolarHBondContact OD2-CA 3.41Å; D793-R799 VanDerWaalsContact OD2-CB 3.23Å; D793-R799 WeakPolarHBondContact OD2-CB 3.31Å; D793-R799 PolarHBondContact OD2-N 2.88Å | ||
| 800 | H | 89.4 | Confident | 87 | Confident | 135 Ų | 135 | 59.4 Ų | 59.4 | 63% | 0.625 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 165.4 | -167.3 | 64.8 | -92 | 0 | 0 | 0 | 114.8 | A791 T792 | A791-H800 CarbonylContact O-C 3.28Å; A791-H800 VanDerWaalsContact O-CA 3.27Å; A791-H800 WeakPolarHBondContact O-CA 3.28Å; A791-H800 WeakPolarHBondContact O-CB 3.34Å; T792-H800 HydrophobicContact CG2-CB 3.83Å |
| 801 | S | 90.3 | Very high | 86.6 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 172.6 | -179.3 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | P715 A791 | P715-S801 VanDerWaalsContact O-CB 3.26Å; P715-S801 WeakPolarHBondContact O-CB 3.42Å; P715-S801 PolarHBondContact O-OG 2.78Å; A791-S801 PolarHBondContact N-O 2.84Å; A791-S801 PolarHBondContact O-N 3.32Å |
| 802 | T | 90.6 | Very high | 86.1 | Confident | 98 Ų | 98 | 64.5 Ų | 64.5 | 60% | 0.601 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 163 | -174.6 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | V789 V790 | V789-T802 CarbonylContact O-C 3.51Å; V789-T802 WeakPolarHBondContact O-CA 3.42Å; V790-T802 HydrophobicContact CB-CG2 4.45Å; V790-T802 HydrophobicContact CG1-CG2 4.18Å; V790-T802 HydrophobicContact CG2-CG2 4.1Å |
| 803 | L | 90 | Very high | 85.4 | Confident | 11 Ų | 11 | 64 Ų | 64 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 150.2 | -177.8 | 179.5 | 62.1 | 0 | 0 | 0 | 112 | F717 L721 V739 V788 V789 L805 | F717-L803 HydrophobicContact CD1-CB 4.23Å; F717-L803 HydrophobicContact CD1-CD2 3.91Å; F717-L803 HydrophobicContact CD2-CB 4.08Å; F717-L803 HydrophobicContact CE1-CB 4.39Å; F717-L803 HydrophobicContact CE1-CD2 4.34Å; F717-L803 HydrophobicContact CE2-CB 4.22Å; F717-L803 HydrophobicContact CG-CB 4.08Å; F717-L803 HydrophobicContact CG-CD2 4.33Å; F717-L803 HydrophobicContact CZ-CB 4.37Å; L721-L803 HydrophobicContact CB-CD2 4.5Å; L721-L803 HydrophobicContact CD1-CD2 3.7Å; V739-L803 HydrophobicContact CB-CD2 4.47Å; V739-L803 HydrophobicContact CG1-CD2 3.88Å; V788-L803 CarbonylContact C-O 3.51Å; V788-L803 WeakPolarHBondContact CA-O 3.4Å; V789-L803 HydrophobicContact CB-CB 4.49Å; V789-L803 PolarHBondContact N-O 3Å; V789-L803 PolarHBondContact O-N 2.88Å; L803-L805 HydrophobicContact CD2-CD2 4.24Å; L803-L805 HydrophobicContact CG-CD2 4.3Å |
| 804 | T | 89.7 | Confident | 85 | Confident | 71 Ų | 71 | 68.7 Ų | 68.7 | 44% | 0.436 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145 | 174.8 | -51.9 | 0 | 0 | 0 | 0 | 111.1 | L787 V788 | L787-T804 CarbonylContact O-C 3.49Å; L787-T804 WeakPolarHBondContact O-CA 3.4Å; V788-T804 HydrophobicContact CG2-CG2 4.09Å |
| 805 | L | 89.3 | Confident | 84.8 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 151.6 | -174.8 | -50.6 | 170.8 | 0 | 0 | 0 | 110.2 | R723 L725 V739 I771 E786 L787 V789 L803 | R723-L805 CarbonylContact O-C 3.49Å; R723-L805 VanDerWaalsContact O-CA 3.3Å; R723-L805 WeakPolarHBondContact O-CA 3.18Å; L725-L805 HydrophobicContact CD1-CB 4.27Å; L725-L805 HydrophobicContact CD1-CD1 4.01Å; V739-L805 HydrophobicContact CG1-CD1 4.46Å; I771-L805 HydrophobicContact CD1-CD1 3.49Å; I771-L805 VanDerWaalsContact CD1-CD1 3.49Å; E786-L805 CarbonylContact C-O 3.55Å; E786-L805 WeakPolarHBondContact CA-O 3.35Å; L787-L805 HydrophobicContact CB-CB 4.42Å; L787-L805 PolarHBondContact N-O 2.83Å; L787-L805 PolarHBondContact O-N 3.27Å; V789-L805 HydrophobicContact CG2-CD1 4.04Å; L803-L805 HydrophobicContact CD2-CD2 4.24Å; L803-L805 HydrophobicContact CG-CD2 4.3Å |
| 806 | Y | 90.5 | Very high | 85 | Confident | 82 Ų | 82 | 70.6 Ų | 70.6 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.3 | 177.9 | 179.2 | -88 | 0 | 0 | 0 | 109.3 | R723 L725 H784 E786 K808 | R723-Y806 PolarHBondContact O-N 2.85Å; L725-Y806 PolarHBondContact N-O 3.47Å; H784-Y806 HydrophobicContact CB-CE1 4.42Å; H784-Y806 HydrophobicContact CB-CE2 4.25Å; H784-Y806 WeakPolarHBondContact CB-OH 3.26Å; H784-Y806 AromaticContact CD2-CE2 3.75Å; E786-Y806 HydrophobicContact CG-CD2 4.07Å; Y806-K808 HydrophobicContact CE1-CB 4.4Å |
| 807 | I | 90 | Very high | 85.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 118.6 | -169.6 | -54.9 | 168.3 | 0 | 0 | 0 | 109.5 | L725 V727 V736 F763 H784 Y785 L787 | L725-I807 HydrophobicContact CB-CG1 4.38Å; L725-I807 WeakPolarHBondContact O-CA 3.27Å; V727-I807 HydrophobicContact CG1-CG2 4.04Å; V736-I807 HydrophobicContact CG1-CD1 3.92Å; V736-I807 HydrophobicContact CG1-CG1 4.1Å; V736-I807 HydrophobicContact CG1-CG2 4.29Å; F763-I807 HydrophobicContact CD1-CD1 4.14Å; F763-I807 HydrophobicContact CD2-CD1 4.41Å; F763-I807 HydrophobicContact CE1-CD1 3.6Å; F763-I807 HydrophobicContact CE1-CG2 4.4Å; F763-I807 HydrophobicContact CE2-CD1 3.92Å; F763-I807 HydrophobicContact CZ-CD1 3.49Å; F763-I807 VanDerWaalsContact CZ-CD1 3.49Å; F763-I807 HydrophobicContact CZ-CG2 4.32Å; H784-I807 CarbonylContact C-O 3.46Å; H784-I807 VanDerWaalsContact CA-O 3.24Å; H784-I807 WeakPolarHBondContact CA-O 3.19Å; Y785-I807 PolarHBondContact N-O 3.03Å; Y785-I807 PolarHBondContact O-N 2.65Å; L787-I807 HydrophobicContact CB-CD1 3.92Å; L787-I807 HydrophobicContact CD2-CD1 4.08Å |
| 808 | K | 88.8 | Confident | 85.6 | Confident | 114 Ų | 114 | 62.2 Ų | 62.2 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 141.4 | 178.9 | 179.6 | 177 | 178.6 | -172.3 | 0 | 112.3 | L725 S726 V727 Y806 | L725-K808 PolarHBondContact O-N 3.31Å; S726-K808 CarbonylContact C-O 3.17Å; S726-K808 VanDerWaalsContact CA-O 3.31Å; S726-K808 WeakPolarHBondContact CA-O 3.35Å; V727-K808 PolarHBondContact N-O 2.99Å; Y806-K808 HydrophobicContact CE1-CB 4.4Å |
| 809 | V | 88.5 | Confident | 86 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 144.3 | 170.9 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | V727 E729 L777 R779 D783 Y785 | V727-V809 CarbonylContact O-C 3.56Å; V727-V809 WeakPolarHBondContact O-CA 3.27Å; E729-V809 HydrophobicContact CB-CG1 3.79Å; L777-V809 HydrophobicContact CB-CG1 4.39Å; L777-V809 HydrophobicContact CB-CG2 4.42Å; L777-V809 HydrophobicContact CD1-CG2 3.95Å; R779-V809 HydrophobicContact CB-CG1 4.19Å; D783-V809 PolarHBondContact O-N 3.11Å; Y785-V809 HydrophobicContact CE2-CG2 4.13Å |
| 810 | L | 84.7 | Confident | 86 | Confident | 66 Ų | 66 | 58.4 Ų | 58.4 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 149.4 | -179.3 | -55.3 | 175.9 | 0 | 0 | 0 | 111.8 | V727 V728 E729 | V727-L810 PolarHBondContact O-N 2.88Å; V728-L810 HydrophobicContact CG2-CD1 4.45Å; E729-L810 WeakPolarHBondContact CG-O 3.21Å; E729-L810 PolarHBondContact N-O 3.38Å |
| 811 | D | 83.1 | Confident | 85.9 | Confident | 60 Ų | 60 | 56.4 Ų | 56.4 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | trans | -84.9 | 157.9 | -167.1 | -173.7 | 36.7 | 0 | 0 | 0 | 115.4 | E729 R779 L848 | E729-D811 WeakPolarHBondContact OE1-CA 3.26Å; R779-D811 IonicContact CZ-OD1 3.32Å; R779-D811 IonicContact NE-OD1 3.72Å; R779-D811 PolarHBondContact NE-OD1 3.23Å; R779-D811 IonicContact NH2-OD1 2.83Å; R779-D811 PolarHBondContact NH2-OD1 2.79Å; R779-D811 IonicContact NH2-OD2 3.34Å; D811-L848 WeakPolarHBondContact OD2-CB 3.47Å | ||
| 812 | I | 79.3 | Confident | 85.7 | Confident | 88 Ų | 88 | 59.5 Ų | 59.5 | 45% | 0.451 | 33% | 0.328 | S | S | . | . | trans | -142.1 | 136.9 | 172.8 | -55.8 | 179.3 | 0 | 0 | 0 | 109.8 | V728 E729 | V728-I812 HydrophobicContact CG1-CD1 4.18Å; E729-I812 HydrophobicContact CG-CD1 4.02Å; E729-I812 HydrophobicContact CG-CG1 4.14Å | ||
| 813 | D | 76.3 | Confident | 85.6 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | trans | -77.3 | 121 | 177.9 | -176.8 | 84.1 | 0 | 0 | 0 | 111.3 | Y902 T904 | D813-Y902 WeakPolarHBondContact OD1-CD2 3.1Å; D813-T904 WeakPolarHBondContact OD2-CB 3.48Å; D813-T904 PolarHBondContact OD2-OG1 3.49Å | ||
| 814 | D | 78.7 | Confident | 85.7 | Confident | 112 Ų | 112 | 59 Ų | 59 | 60% | 0.599 | 32% | 0.323 | S | S | * | . | trans | -147 | 3.5 | -177.6 | 94.9 | -11.7 | 0 | 0 | 0 | 118.2 | D847 M905 | D814-D847 PolarHBondContact N-OD2 2.92Å; D814-M905 WeakPolarHBondContact O-CE 3.43Å | ||
| 815 | N | 78.6 | Confident | 85.6 | Confident | 60 Ų | 60 | 60 Ų | 60 | 32% | 0.321 | 33% | 0.329 | S | S | . | . | trans | -111.4 | -166.8 | -179.7 | -69.3 | -78.3 | 0 | 0 | 0 | 114.6 | V846 D847 M905 | N815-V846 HydrophobicContact CB-CB 4.16Å; N815-V846 HydrophobicContact CB-CG2 4.43Å; N815-D847 PolarHBondContact N-OD2 2.85Å; N815-D847 PolarHBondContact ND2-OD1 2.78Å; N815-M905 WeakPolarHBondContact O-CB 3.27Å; N815-M905 WeakPolarHBondContact O-CE 3.31Å; N815-M905 WeakPolarHBondContact O-CG 3.32Å | ||
| 816 | S | 80.2 | Confident | 85.6 | Confident | 42 Ų | 42 | 61 Ų | 61 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | trans | -157.5 | 153 | -172.1 | -46.9 | 0 | 0 | 0 | 0 | 115.9 | D845 M905 | S816-D845 VanDerWaalsContact C-OD2 3.25Å; S816-D845 PolarHBondContact N-OD1 2.86Å; S816-M905 WeakPolarHBondContact OG-CE 3.31Å | ||
| 817 | P | 86.6 | Confident | 85.4 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.032 | 35% | 0.346 | C | S | . | . | trans | -78.5 | 138.8 | -177.4 | -10.6 | 25 | 0 | 0 | 0 | 116 | K844 D845 V852 D900 | P817-K844 CarbonylContact C-O 3.58Å; P817-K844 VanDerWaalsContact CA-O 3.31Å; P817-K844 WeakPolarHBondContact CA-O 3.25Å; P817-D845 VanDerWaalsContact CD-OD2 3.25Å; P817-D845 WeakPolarHBondContact CD-OD2 3.36Å; P817-D845 WeakPolarHBondContact CG-OD2 3.14Å; P817-V852 HydrophobicContact CB-CG1 3.95Å; P817-V852 HydrophobicContact CB-CG2 4.1Å; P817-D900 HydrophobicContact CG-CB 4.28Å | ||
| 818 | V | 85.9 | Confident | 85.2 | Confident | 102 Ų | 102 | 61.6 Ų | 61.6 | 62% | 0.618 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133 | 130 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 113.1 | A843 K844 | V818-A843 CarbonylContact O-C 3.59Å; V818-A843 WeakPolarHBondContact O-CA 3.29Å; V818-A843 VanDerWaalsContact O-CB 3.31Å; V818-A843 WeakPolarHBondContact O-CB 3.36Å; V818-K844 PolarHBondContact N-O 3.37Å; V818-K844 PolarHBondContact O-N 2.87Å |
| 819 | F | 89 | Confident | 84.8 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 155.5 | 176.7 | -80.6 | -64 | 0 | 0 | 0 | 114.4 | I841 E842 A843 Y854 V896 A898 A910 | F819-I841 HydrophobicContact CD1-CG2 3.76Å; F819-I841 HydrophobicContact CE1-CG2 3.44Å; F819-I841 VanDerWaalsContact CE1-CG2 3.44Å; F819-I841 HydrophobicContact CZ-CG2 4.4Å; F819-E842 CarbonylContact C-O 3.4Å; F819-E842 WeakPolarHBondContact CA-O 3.21Å; F819-E842 WeakPolarHBondContact CD1-O 3.37Å; F819-A843 HydrophobicContact CD1-CB 3.81Å; F819-A843 HydrophobicContact CE1-CB 4.28Å; F819-A843 HydrophobicContact CG-CB 4.24Å; F819-Y854 HydrophobicContact CD1-CE1 4.44Å; F819-Y854 AromaticContact CE1-CD1 3.78Å; F819-Y854 HydrophobicContact CE1-CD1 3.78Å; F819-Y854 AromaticContact CE1-CE1 3.79Å; F819-Y854 HydrophobicContact CE1-CE1 3.79Å; F819-Y854 HydrophobicContact CZ-CD1 4.24Å; F819-V896 HydrophobicContact CE2-CG2 4.46Å; F819-V896 HydrophobicContact CZ-CG2 3.98Å; F819-A898 HydrophobicContact CD1-CB 4.5Å; F819-A898 HydrophobicContact CD2-CB 4.43Å; F819-A898 HydrophobicContact CE1-CB 3.9Å; F819-A898 HydrophobicContact CE2-CB 3.84Å; F819-A898 HydrophobicContact CZ-CB 3.54Å; F819-A910 HydrophobicContact CD2-CB 3.91Å; F819-A910 HydrophobicContact CE2-CB 4.09Å; F819-A910 HydrophobicContact CG-CB 4.26Å |
| 820 | T | 86.8 | Confident | 84.3 | Confident | 74 Ų | 74 | 60.6 Ų | 60.6 | 45% | 0.454 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -76.6 | -42.6 | 176.5 | 51.3 | 0 | 0 | 0 | 0 | 114.8 | Y824 E842 | T820-Y824 PolarHBondContact OG1-OH 3.27Å; T820-E842 HydrophobicContact CG2-CB 3.78Å; T820-E842 PolarHBondContact N-O 2.86Å; T820-E842 PolarHBondContact OG1-O 2.82Å |
| 821 | N | 87.1 | Confident | 83.9 | Confident | 93 Ų | 93 | 61.2 Ų | 61.2 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | trans | -126.9 | 151.3 | 174.9 | -67.3 | -38.6 | 0 | 0 | 0 | 111.3 | Y824 | N821-Y824 HydrophobicContact CB-CE1 3.98Å; N821-Y824 HydrophobicContact CB-CE2 4.08Å | ||
| 822 | S | 86.1 | Confident | 83.7 | Confident | 91 Ų | 91 | 61 Ų | 61 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -81.9 | -22.1 | 175.9 | 61.1 | 0 | 0 | 0 | 0 | 114.2 | A910 T911 | S822-A910 WeakPolarHBondContact O-CA 3.16Å; S822-T911 PolarHBondContact O-N 2.85Å; S822-T911 PolarHBondContact O-OG1 2.8Å |
| 823 | T | 89.2 | Confident | 83.8 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 47% | 0.466 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 135.9 | -169.5 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | T911 | T823-T911 CarbonylContact C-O 3.42Å; T823-T911 WeakPolarHBondContact CA-O 3.02Å; T823-T911 WeakPolarHBondContact CA-OG1 3.35Å; T823-T911 WeakPolarHBondContact CB-OG1 3.33Å; T823-T911 WeakPolarHBondContact CG2-OG1 3.18Å; T823-T911 PolarHBondContact OG1-OG1 2.81Å |
| 824 | Y | 90.7 | Very high | 84 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 9% | 0.09 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 142.6 | 176.7 | -57.5 | -95.1 | 0 | 0 | 0 | 109.9 | T820 N821 L839 I841 A910 T911 V912 T913 | T820-Y824 PolarHBondContact OG1-OH 3.27Å; N821-Y824 HydrophobicContact CB-CE1 3.98Å; N821-Y824 HydrophobicContact CB-CE2 4.08Å; Y824-L839 HydrophobicContact CD1-CD1 3.77Å; Y824-L839 HydrophobicContact CD1-CD2 4.26Å; Y824-L839 HydrophobicContact CD1-CG 4.48Å; Y824-L839 HydrophobicContact CE1-CD1 4.45Å; Y824-L839 HydrophobicContact CG-CD1 4.3Å; Y824-L839 HydrophobicContact CG-CD2 3.97Å; Y824-I841 HydrophobicContact CE2-CG2 3.97Å; Y824-A910 HydrophobicContact CE2-CB 4.31Å; Y824-T911 PolarHBondContact N-O 2.6Å; Y824-V912 HydrophobicContact CD2-CG2 4.44Å; Y824-V912 CarbonylContact O-C 3.48Å; Y824-V912 WeakPolarHBondContact O-CA 3.34Å; Y824-T913 PolarHBondContact O-N 2.98Å |
| 825 | T | 88.5 | Confident | 84.2 | Confident | 91 Ų | 91 | 58.9 Ų | 58.9 | 56% | 0.558 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.2 | 176.8 | -56.6 | 0 | 0 | 0 | 0 | 109.2 | T913 I915 | T825-T913 CarbonylContact C-O 3.47Å; T825-T913 WeakPolarHBondContact CA-O 3.48Å; T825-T913 HydrophobicContact CG2-CG2 4.37Å; T825-I915 HydrophobicContact CG2-CD1 4.38Å |
| 826 | V | 88.6 | Confident | 84.5 | Confident | 29 Ų | 29 | 58 Ų | 58 | 18% | 0.176 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 141.1 | -178 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | V828 F838 L839 T913 V914 I915 | V826-V828 HydrophobicContact CG1-CG2 3.97Å; V826-F838 HydrophobicContact CB-CD2 4.38Å; V826-F838 HydrophobicContact CG1-CD2 4.11Å; V826-L839 HydrophobicContact CG2-CB 4.26Å; V826-L839 HydrophobicContact CG2-CD1 4.1Å; V826-L839 HydrophobicContact CG2-CD2 4.41Å; V826-L839 HydrophobicContact CG2-CG 4.49Å; V826-T913 PolarHBondContact N-O 2.9Å; V826-V914 WeakPolarHBondContact O-CA 3.29Å; V826-I915 PolarHBondContact O-N 3.33Å |
| 827 | V | 86.2 | Confident | 84.9 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128 | 164.9 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | I915 K917 | V827-I915 WeakPolarHBondContact CA-O 3.5Å; V827-I915 HydrophobicContact CG2-CB 4.34Å; V827-K917 HydrophobicContact CG1-CB 3.94Å |
| 828 | V | 85.4 | Confident | 85 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.6 | -178.3 | 177.4 | 0 | 0 | 0 | 0 | 107.4 | V826 L832 F838 L880 V914 I915 V916 K917 | V826-V828 HydrophobicContact CG1-CG2 3.97Å; V828-L832 HydrophobicContact CG1-CD1 3.93Å; V828-F838 HydrophobicContact CG2-CB 4.29Å; V828-F838 HydrophobicContact CG2-CD2 3.74Å; V828-F838 HydrophobicContact CG2-CE2 4.16Å; V828-F838 HydrophobicContact CG2-CG 3.93Å; V828-L880 HydrophobicContact CB-CD1 4.45Å; V828-L880 HydrophobicContact CG1-CD1 4Å; V828-V914 HydrophobicContact CB-CG1 3.97Å; V828-V914 HydrophobicContact CG2-CG1 3.69Å; V828-I915 PolarHBondContact N-O 2.82Å; V828-V916 WeakPolarHBondContact O-CA 3.48Å; V828-K917 PolarHBondContact O-N 2.88Å |
| 829 | E | 82.1 | Confident | 85.2 | Confident | 89 Ų | 89 | 57.7 Ų | 57.7 | 42% | 0.416 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 138.6 | 173.2 | -54.3 | -170.7 | 125.7 | 0 | 0 | 108.5 | L832 K917 | E829-L832 HydrophobicContact CB-CD1 4.26Å; E829-L832 HydrophobicContact CB-CG 4.38Å; E829-L832 VanDerWaalsContact O-CD1 3.31Å; E829-L832 WeakPolarHBondContact O-CD1 3.36Å; E829-L832 WeakPolarHBondContact O-CG 3.34Å; E829-K917 HydrophobicContact CG-CD 4.31Å; E829-K917 IonicContact OE1-NZ 2.7Å; E829-K917 PolarHBondContact OE1-NZ 2.9Å |
| 830 | E | 77.5 | Confident | 85.2 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 3% | 0.033 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 174 | 175.8 | 72.9 | -174.2 | 116.2 | 0 | 0 | 112.4 | L832 Y882 V916 K917 D918 M919 | E830-L832 PolarHBondContact O-N 2.59Å; E830-Y882 VanDerWaalsContact CD-CB 3.47Å; E830-Y882 VanDerWaalsContact OE1-CB 3.27Å; E830-Y882 WeakPolarHBondContact OE1-CB 3.42Å; E830-Y882 WeakPolarHBondContact OE2-CB 3.31Å; E830-Y882 PolarHBondContact OE2-N 3.14Å; E830-V916 HydrophobicContact CB-CG1 4Å; E830-K917 PolarHBondContact N-O 3.24Å; E830-D918 WeakPolarHBondContact OE1-CA 3.18Å; E830-M919 HydrophobicContact CG-CB 3.85Å; E830-M919 HydrophobicContact CG-CG 3.99Å; E830-M919 PolarHBondContact OE1-N 3.06Å |
| 831 | N | 75.4 | Confident | 85.4 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 3.5 | -176.7 | -79 | -65.4 | 0 | 0 | 0 | 115.9 | L880 D921 | N831-L880 PolarHBondContact N-O 3Å; N831-D921 VanDerWaalsContact ND2-CB 3.35Å; N831-D921 WeakPolarHBondContact ND2-CB 3.46Å; N831-D921 PolarHBondContact ND2-OD2 2.65Å |
| 832 | L | 80.3 | Confident | 85.5 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 131.6 | 170.7 | -85.2 | 175.5 | 0 | 0 | 0 | 110.4 | V828 E829 E830 T836 L876 S879 | V828-L832 HydrophobicContact CG1-CD1 3.93Å; E829-L832 HydrophobicContact CB-CD1 4.26Å; E829-L832 HydrophobicContact CB-CG 4.38Å; E829-L832 VanDerWaalsContact O-CD1 3.31Å; E829-L832 WeakPolarHBondContact O-CD1 3.36Å; E829-L832 WeakPolarHBondContact O-CG 3.34Å; E830-L832 PolarHBondContact O-N 2.59Å; L832-T836 HydrophobicContact CD2-CG2 4.35Å; L832-L876 HydrophobicContact CB-CD1 3.62Å; L832-L876 WeakPolarHBondContact O-CD1 3.17Å; L832-S879 VanDerWaalsContact O-CB 3.31Å; L832-S879 WeakPolarHBondContact O-CB 3.23Å; L832-S879 PolarHBondContact O-OG 3.2Å |
| 833 | P | 80.1 | Confident | 85.5 | Confident | 81 Ų | 81 | 53.5 Ų | 53.5 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 144.9 | -176.8 | -28.4 | 35.1 | 0 | 0 | 0 | 114.2 | G835 T836 | P833-G835 PolarHBondContact O-N 2.85Å; P833-T836 HydrophobicContact CB-CG2 4.31Å; P833-T836 WeakPolarHBondContact O-CB 3.22Å; P833-T836 VanDerWaalsContact O-CG2 3.26Å; P833-T836 WeakPolarHBondContact O-CG2 3.3Å; P833-T836 PolarHBondContact O-N 2.81Å; P833-T836 VanDerWaalsContact O-N 3.08Å; P833-T836 PolarHBondContact O-OG1 2.83Å |
| 834 | A | 81.4 | Confident | 85.3 | Confident | 62 Ų | 62 | 56.9 Ų | 56.9 | 51% | 0.512 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 134.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L876 L877 | A834-L876 CarbonylContact C-O 2.97Å; A834-L876 WeakPolarHBondContact CA-O 3.11Å; A834-L877 WeakPolarHBondContact CB-O 3Å |
| 835 | G | 82.7 | Confident | 84.9 | Confident | 57 Ų | 57 | 57.4 Ų | 57.4 | 59% | 0.588 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.3 | -12.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P833 S837 L876 | P833-G835 PolarHBondContact O-N 2.85Å; G835-S837 PolarHBondContact O-N 2.73Å; G835-L876 PolarHBondContact N-O 3.42Å |
| 836 | T | 85.5 | Confident | 84.6 | Confident | 41 Ų | 41 | 58.5 Ų | 58.5 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | trans | -66.1 | 119.1 | 175.7 | 47.8 | 0 | 0 | 0 | 0 | 111.8 | L832 P833 S875 L876 | L832-T836 HydrophobicContact CD2-CG2 4.35Å; P833-T836 HydrophobicContact CB-CG2 4.31Å; P833-T836 WeakPolarHBondContact O-CB 3.22Å; P833-T836 VanDerWaalsContact O-CG2 3.26Å; P833-T836 WeakPolarHBondContact O-CG2 3.3Å; P833-T836 PolarHBondContact O-N 2.81Å; P833-T836 VanDerWaalsContact O-N 3.08Å; P833-T836 PolarHBondContact O-OG1 2.83Å; T836-S875 CarbonylContact O-C 3.4Å; T836-S875 WeakPolarHBondContact O-CA 3.1Å; T836-S875 WeakPolarHBondContact O-CB 3.43Å; T836-L876 PolarHBondContact O-N 3.02Å; T836-L876 WeakPolarHBondContact OG1-CD1 3.43Å | ||
| 837 | S | 87.9 | Confident | 84.3 | Confident | 76 Ų | 76 | 58 Ų | 58 | 53% | 0.531 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 123.6 | 175.1 | 54.9 | 0 | 0 | 0 | 0 | 111 | G835 L874 | G835-S837 PolarHBondContact O-N 2.73Å; S837-L874 WeakPolarHBondContact CA-O 3.48Å |
| 838 | F | 88.3 | Confident | 83.6 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | -7.6 | -175.4 | 61.2 | -92.6 | 0 | 0 | 0 | 114 | V826 V828 F865 L874 L876 V914 | V826-F838 HydrophobicContact CB-CD2 4.38Å; V826-F838 HydrophobicContact CG1-CD2 4.11Å; V828-F838 HydrophobicContact CG2-CB 4.29Å; V828-F838 HydrophobicContact CG2-CD2 3.74Å; V828-F838 HydrophobicContact CG2-CE2 4.16Å; V828-F838 HydrophobicContact CG2-CG 3.93Å; F838-F865 AromaticContact CE1-CD1 3.77Å; F838-F865 HydrophobicContact CE1-CD1 3.77Å; F838-F865 HydrophobicContact CE1-CE1 4.05Å; F838-F865 AromaticContact CZ-CD1 3.56Å; F838-F865 HydrophobicContact CZ-CD1 3.56Å; F838-F865 AromaticContact CZ-CE1 3.7Å; F838-F865 HydrophobicContact CZ-CE1 3.7Å; F838-F865 HydrophobicContact CZ-CG 4.31Å; F838-L874 HydrophobicContact CD2-CD2 4.42Å; F838-L874 HydrophobicContact CE1-CG 4.24Å; F838-L874 HydrophobicContact CE2-CD2 3.46Å; F838-L874 VanDerWaalsContact CE2-CD2 3.46Å; F838-L874 HydrophobicContact CE2-CG 4.04Å; F838-L874 HydrophobicContact CZ-CD2 3.53Å; F838-L874 HydrophobicContact CZ-CG 3.67Å; F838-L874 PolarHBondContact N-O 3.09Å; F838-L876 HydrophobicContact CD1-CD2 4.32Å; F838-L876 HydrophobicContact CD1-CG 4.3Å; F838-L876 HydrophobicContact CE1-CD2 3.84Å; F838-L876 HydrophobicContact CE1-CG 4.22Å; F838-V914 HydrophobicContact CE2-CG2 3.78Å; F838-V914 HydrophobicContact CZ-CG2 4.18Å |
| 839 | L | 89.8 | Confident | 82.7 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.141 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 144 | 176.1 | 179 | 64.9 | 0 | 0 | 0 | 111.5 | Y824 V826 I841 L874 V912 | Y824-L839 HydrophobicContact CD1-CD1 3.77Å; Y824-L839 HydrophobicContact CD1-CD2 4.26Å; Y824-L839 HydrophobicContact CD1-CG 4.48Å; Y824-L839 HydrophobicContact CE1-CD1 4.45Å; Y824-L839 HydrophobicContact CG-CD1 4.3Å; Y824-L839 HydrophobicContact CG-CD2 3.97Å; V826-L839 HydrophobicContact CG2-CB 4.26Å; V826-L839 HydrophobicContact CG2-CD1 4.1Å; V826-L839 HydrophobicContact CG2-CD2 4.41Å; V826-L839 HydrophobicContact CG2-CG 4.49Å; L839-I841 HydrophobicContact CD2-CD1 4.29Å; L839-I841 HydrophobicContact CD2-CG1 4.19Å; L839-I841 HydrophobicContact CG-CG1 4.21Å; L839-L874 HydrophobicContact CB-CB 4.15Å; L839-L874 HydrophobicContact CB-CD2 4.14Å; L839-L874 HydrophobicContact CD2-CD2 3.97Å; L839-L874 PolarHBondContact N-O 2.92Å; L839-L874 PolarHBondContact O-N 2.82Å; L839-V912 HydrophobicContact CD2-CG1 3.91Å; L839-V912 HydrophobicContact CD2-CG2 4.31Å |
| 840 | Q | 89.4 | Confident | 81.9 | Confident | 90 Ų | 90 | 57.9 Ų | 57.9 | 42% | 0.421 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137.9 | 169 | -158.7 | 79.2 | 22.3 | 0 | 0 | 110 | T871 E873 | Q840-T871 PolarHBondContact NE2-O 2.87Å; Q840-E873 VanDerWaalsContact OE1-CG 3.3Å |
| 841 | I | 90.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | trans | -125.3 | 135 | 177.9 | -44.4 | -175.4 | 0 | 0 | 0 | 108.8 | F819 Y824 L839 L867 G872 V896 V912 | F819-I841 HydrophobicContact CD1-CG2 3.76Å; F819-I841 HydrophobicContact CE1-CG2 3.44Å; F819-I841 VanDerWaalsContact CE1-CG2 3.44Å; F819-I841 HydrophobicContact CZ-CG2 4.4Å; Y824-I841 HydrophobicContact CE2-CG2 3.97Å; L839-I841 HydrophobicContact CD2-CD1 4.29Å; L839-I841 HydrophobicContact CD2-CG1 4.19Å; L839-I841 HydrophobicContact CG-CG1 4.21Å; I841-L867 HydrophobicContact CD1-CD1 4.01Å; I841-L867 HydrophobicContact CG1-CD1 4.47Å; I841-G872 PolarHBondContact N-O 2.89Å; I841-G872 WeakPolarHBondContact O-CA 3.38Å; I841-V896 HydrophobicContact CD1-CG1 4.15Å; I841-V896 HydrophobicContact CD1-CG2 4.08Å; I841-V896 HydrophobicContact CG2-CG2 4.5Å; I841-V912 HydrophobicContact CD1-CG2 4.12Å | ||
| 842 | E | 89.1 | Confident | 82 | Confident | 96 Ų | 96 | 59.4 Ų | 59.4 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | trans | -131.9 | 138 | -174.3 | -69.8 | -173.5 | -174 | 0 | 0 | 112.8 | F819 T820 Y854 | F819-E842 CarbonylContact C-O 3.4Å; F819-E842 WeakPolarHBondContact CA-O 3.21Å; F819-E842 WeakPolarHBondContact CD1-O 3.37Å; T820-E842 HydrophobicContact CG2-CB 3.78Å; T820-E842 PolarHBondContact N-O 2.86Å; T820-E842 PolarHBondContact OG1-O 2.82Å; E842-Y854 WeakPolarHBondContact CA-OH 3.45Å | ||
| 843 | A | 87.3 | Confident | 82.4 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 162.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112 | V818 F819 V852 Y854 A898 | V818-A843 CarbonylContact O-C 3.59Å; V818-A843 WeakPolarHBondContact O-CA 3.29Å; V818-A843 VanDerWaalsContact O-CB 3.31Å; V818-A843 WeakPolarHBondContact O-CB 3.36Å; F819-A843 HydrophobicContact CD1-CB 3.81Å; F819-A843 HydrophobicContact CE1-CB 4.28Å; F819-A843 HydrophobicContact CG-CB 4.24Å; A843-V852 HydrophobicContact CB-CG1 3.96Å; A843-Y854 HydrophobicContact CB-CE1 3.85Å; A843-Y854 PolarHBondContact N-OH 3.11Å; A843-A898 HydrophobicContact CB-CB 3.9Å |
| 844 | K | 83.4 | Confident | 82.9 | Confident | 148 Ų | 148 | 55.7 Ų | 55.7 | 64% | 0.643 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142 | 152.1 | -174.8 | -63 | -176.9 | -177.9 | 175.8 | 0 | 113.4 | P817 V818 | P817-K844 CarbonylContact C-O 3.58Å; P817-K844 VanDerWaalsContact CA-O 3.31Å; P817-K844 WeakPolarHBondContact CA-O 3.25Å; V818-K844 PolarHBondContact N-O 3.37Å; V818-K844 PolarHBondContact O-N 2.87Å |
| 845 | D | 84.1 | Confident | 83.3 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | trans | -136.7 | 175 | 177.5 | -149.4 | -35.1 | 0 | 0 | 0 | 110 | S816 P817 A850 V852 | S816-D845 VanDerWaalsContact C-OD2 3.25Å; S816-D845 PolarHBondContact N-OD1 2.86Å; P817-D845 VanDerWaalsContact CD-OD2 3.25Å; P817-D845 WeakPolarHBondContact CD-OD2 3.36Å; P817-D845 WeakPolarHBondContact CG-OD2 3.14Å; D845-A850 HydrophobicContact CB-CB 3.77Å; D845-V852 HydrophobicContact CB-CG2 3.96Å | ||
| 846 | V | 82.2 | Confident | 83.7 | Confident | 115 Ų | 115 | 56.6 Ų | 56.6 | 70% | 0.697 | 31% | 0.305 | S | S | * | . | trans | -120.5 | -26.7 | -165.5 | -166.3 | 0 | 0 | 0 | 0 | 114.3 | N815 | N815-V846 HydrophobicContact CB-CB 4.16Å; N815-V846 HydrophobicContact CB-CG2 4.43Å | ||
| 847 | D | 81 | Confident | 83.9 | Confident | 18 Ų | 18 | 60.6 Ų | 60.6 | 10% | 0.096 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -78.3 | 163.2 | -169.1 | -64.3 | -16.3 | 0 | 0 | 0 | 114.2 | D814 N815 G849 A850 | D814-D847 PolarHBondContact N-OD2 2.92Å; N815-D847 PolarHBondContact N-OD2 2.85Å; N815-D847 PolarHBondContact ND2-OD1 2.78Å; D847-G849 PolarHBondContact O-N 3.45Å; D847-A850 HydrophobicContact CB-CB 4.25Å; D847-A850 WeakPolarHBondContact O-CB 3.48Å; D847-A850 PolarHBondContact O-N 3.19Å; D847-A850 VanDerWaalsContact O-N 3.09Å |
| 848 | L | 71.7 | Confident | 83.8 | Confident | 116 Ų | 116 | 58.1 Ų | 58.1 | 61% | 0.607 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 87 | -168.8 | -172 | 74 | 0 | 0 | 0 | 112.6 | D811 | D811-L848 WeakPolarHBondContact OD2-CB 3.47Š|
| 849 | G | 67.5 | Low | 83.5 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110.8 | 10.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | D847 N851 | D847-G849 PolarHBondContact O-N 3.45Å; G849-N851 VanDerWaalsContact C-N 3.32Å; G849-N851 PolarHBondContact O-N 3.19Å |
| 850 | A | 64.2 | Low | 83.1 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 17% | 0.174 | 35% | 0.345 | C | S | . | . | trans | -68.1 | 82.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | D845 D847 | D845-A850 HydrophobicContact CB-CB 3.77Å; D847-A850 HydrophobicContact CB-CB 4.25Å; D847-A850 WeakPolarHBondContact O-CB 3.48Å; D847-A850 PolarHBondContact O-N 3.19Å; D847-A850 VanDerWaalsContact O-N 3.09Å | ||
| 851 | N | 72.6 | Confident | 83 | Confident | 100 Ų | 100 | 62.6 Ų | 62.6 | 54% | 0.535 | 33% | 0.327 | S | S | . | . | trans | -77.6 | 124.1 | 166.6 | -62.6 | -46.9 | 0 | 0 | 0 | 109.2 | G849 I901 | G849-N851 VanDerWaalsContact C-N 3.32Å; G849-N851 PolarHBondContact O-N 3.19Å; N851-I901 HydrophobicContact CB-CD1 3.76Å; N851-I901 HydrophobicContact CB-CG1 4.27Å | ||
| 852 | V | 83.5 | Confident | 82.7 | Confident | 18 Ų | 18 | 67.4 Ų | 67.4 | 11% | 0.109 | 35% | 0.348 | C | S | . | . | trans | -79.4 | 139.6 | 177 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | P817 A843 D845 Y854 A898 F899 | P817-V852 HydrophobicContact CB-CG1 3.95Å; P817-V852 HydrophobicContact CB-CG2 4.1Å; A843-V852 HydrophobicContact CB-CG1 3.96Å; D845-V852 HydrophobicContact CB-CG2 3.96Å; V852-Y854 HydrophobicContact CG1-CE1 4.32Å; V852-A898 HydrophobicContact CG1-CB 3.91Å; V852-F899 CarbonylContact C-O 3.54Å; V852-F899 VanDerWaalsContact CA-O 3.3Å; V852-F899 WeakPolarHBondContact CA-O 3.11Å | ||
| 853 | S | 87.4 | Confident | 82.5 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.7 | 178.1 | 67.5 | 0 | 0 | 0 | 0 | 113.3 | P869 A898 F899 | S853-P869 CarbonylContact C-O 3.56Å; S853-P869 VanDerWaalsContact CA-O 3.24Å; S853-P869 WeakPolarHBondContact CA-O 3.49Å; S853-A898 CarbonylContact O-C 3.48Å; S853-A898 WeakPolarHBondContact O-CA 3.46Å; S853-F899 PolarHBondContact N-O 2.62Å; S853-F899 PolarHBondContact O-N 2.71Å |
| 854 | Y | 90.8 | Very high | 82.4 | Confident | 25 Ų | 25 | 69 Ų | 69 | 10% | 0.098 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 147.7 | -173.5 | -52.7 | -77.2 | 0 | 0 | 0 | 113.5 | F819 E842 A843 V852 P869 E897 A898 | F819-Y854 HydrophobicContact CD1-CE1 4.44Å; F819-Y854 AromaticContact CE1-CD1 3.78Å; F819-Y854 HydrophobicContact CE1-CD1 3.78Å; F819-Y854 AromaticContact CE1-CE1 3.79Å; F819-Y854 HydrophobicContact CE1-CE1 3.79Å; F819-Y854 HydrophobicContact CZ-CD1 4.24Å; E842-Y854 WeakPolarHBondContact CA-OH 3.45Å; A843-Y854 HydrophobicContact CB-CE1 3.85Å; A843-Y854 PolarHBondContact N-OH 3.11Å; V852-Y854 HydrophobicContact CG1-CE1 4.32Å; Y854-P869 WeakPolarHBondContact CD2-O 3.16Å; Y854-P869 PolarHBondContact N-O 3.46Å; Y854-E897 WeakPolarHBondContact CA-O 3.14Å; Y854-A898 HydrophobicContact CD1-CB 3.98Å; Y854-A898 HydrophobicContact CE1-CB 4.18Å |
| 855 | R | 90 | Very high | 82.8 | Confident | 127 Ų | 127 | 62 Ų | 62 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 150.6 | 168.9 | 75.5 | -174.5 | -166.2 | -171.2 | 1.2 | 113.7 | V896 E897 F899 | R855-V896 CarbonylContact O-C 3.52Å; R855-V896 WeakPolarHBondContact O-CA 3.43Å; R855-E897 HydrophobicContact CG-CB 4.09Å; R855-E897 IonicContact CZ-OE2 3.16Å; R855-E897 PolarHBondContact N-O 3.46Å; R855-E897 IonicContact NE-OE2 2.69Å; R855-E897 PolarHBondContact NE-OE2 3.19Å; R855-E897 IonicContact NH2-OE2 4Å; R855-E897 PolarHBondContact NH2-OE2 3.33Å; R855-E897 PolarHBondContact O-N 3.24Å; R855-F899 HydrophobicContact CG-CE2 3.89Å; R855-F899 VanDerWaalsContact NE-CE2 3.35Å |
| 856 | I | 91.7 | Very high | 83 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 5% | 0.051 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 130.5 | 164.7 | -59.3 | 175.9 | 0 | 0 | 0 | 108.9 | S858 V861 K862 F865 L867 L874 F894 V896 | I856-S858 WeakPolarHBondContact CG2-O 3.19Å; I856-V861 HydrophobicContact CG2-CG2 3.77Å; I856-K862 HydrophobicContact CB-CG 4.46Å; I856-K862 HydrophobicContact CG2-CG 4.25Å; I856-K862 WeakPolarHBondContact O-CE 3.32Å; I856-K862 PolarHBondContact O-NZ 2.92Å; I856-F865 HydrophobicContact CD1-CB 4.09Å; I856-F865 WeakPolarHBondContact CD1-O 3.42Å; I856-L867 HydrophobicContact CD1-CB 4Å; I856-L867 HydrophobicContact CG1-CB 3.71Å; I856-L867 HydrophobicContact CG1-CD2 4.07Å; I856-L874 HydrophobicContact CD1-CD1 4.14Å; I856-F894 HydrophobicContact CD1-CE2 4.33Å; I856-F894 HydrophobicContact CG1-CE2 4.37Å; I856-F894 HydrophobicContact CG2-CD2 4.01Å; I856-F894 HydrophobicContact CG2-CE2 4.34Å; I856-V896 HydrophobicContact CG1-CG1 4.39Å |
| 857 | R | 89.2 | Confident | 83.5 | Confident | 125 Ų | 125 | 57.7 Ų | 57.7 | 47% | 0.472 | 30% | 0.302 | S | S | . | . | trans | -84.2 | -49.1 | 178.4 | -176.1 | -170.5 | 174.5 | 129.6 | -13.9 | 111.8 | L895 E897 | R857-L895 HydrophobicContact CB-CB 3.91Å; R857-L895 WeakPolarHBondContact CB-O 3.49Å; R857-L895 HydrophobicContact CG-CB 4.44Å; R857-L895 PolarHBondContact N-O 2.94Å; R857-E897 HydrophobicContact CB-CG 4.15Å; R857-E897 VanDerWaalsContact CD-OE1 3.24Å; R857-E897 WeakPolarHBondContact CD-OE1 3.25Å; R857-E897 IonicContact CZ-OE1 3.08Å; R857-E897 IonicContact NE-OE1 2.59Å; R857-E897 IonicContact NH1-OE1 2.65Å; R857-E897 PolarHBondContact NH1-OE1 3.49Å | ||
| 858 | S | 85.6 | Confident | 83.9 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | trans | -65 | 124 | -179.7 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | I856 K862 F894 L895 | I856-S858 WeakPolarHBondContact CG2-O 3.19Å; S858-K862 WeakPolarHBondContact O-CE 3.46Å; S858-K862 WeakPolarHBondContact O-CG 3.36Å; S858-F894 WeakPolarHBondContact OG-CB 3.49Å; S858-L895 PolarHBondContact OG-N 3.2Å | ||
| 859 | P | 83.2 | Confident | 84.7 | Confident | 89 Ų | 89 | 57.9 Ų | 57.9 | 58% | 0.578 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -75.1 | -35.1 | -178 | 29.6 | -33.8 | 0 | 0 | 0 | 112.5 | V861 K862 | P859-V861 VanDerWaalsContact C-N 3.27Å; P859-V861 PolarHBondContact O-N 3.42Å; P859-K862 WeakPolarHBondContact O-CB 3.48Å; P859-K862 PolarHBondContact O-N 2.63Å; P859-K862 VanDerWaalsContact O-N 3.11Å |
| 860 | E | 80.9 | Confident | 85.6 | Confident | 152 Ų | 152 | 62.5 Ų | 62.5 | 71% | 0.71 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -53.3 | -41.1 | -175.5 | -72.1 | 137 | -137 | 0 | 0 | 112.8 | K862 H863 | E860-K862 PolarHBondContact O-N 2.67Å; E860-H863 PolarHBondContact O-CE1 3.27Å; E860-H863 PolarHBondContact O-ND1 2.8Å |
| 861 | V | 86.8 | Confident | 86.6 | Confident | 9 Ų | 9 | 64 Ų | 64 | 6% | 0.055 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -86.1 | -4.3 | -175.5 | -49.8 | 0 | 0 | 0 | 0 | 114.5 | I856 P859 H863 L864 F865 I892 F894 | I856-V861 HydrophobicContact CG2-CG2 3.77Å; P859-V861 VanDerWaalsContact C-N 3.27Å; P859-V861 PolarHBondContact O-N 3.42Å; V861-H863 PolarHBondContact O-N 3.22Å; V861-H863 VanDerWaalsContact O-N 3.13Å; V861-L864 PolarHBondContact O-N 2.76Å; V861-F865 HydrophobicContact CB-CD2 3.79Å; V861-F865 HydrophobicContact CB-CE2 4.15Å; V861-F865 HydrophobicContact CG2-CD2 4.06Å; V861-F865 PolarHBondContact O-N 3.09Å; V861-I892 HydrophobicContact CG1-CG2 3.54Å; V861-F894 HydrophobicContact CB-CD1 4.43Å; V861-F894 HydrophobicContact CG1-CB 4.08Å; V861-F894 HydrophobicContact CG1-CD1 4.14Å; V861-F894 HydrophobicContact CG1-CG 4.31Å; V861-F894 HydrophobicContact CG2-CB 3.91Å; V861-F894 HydrophobicContact CG2-CD1 4.03Å; V861-F894 HydrophobicContact CG2-CD2 3.9Å; V861-F894 HydrophobicContact CG2-CE1 4.45Å; V861-F894 HydrophobicContact CG2-CE2 4.32Å; V861-F894 HydrophobicContact CG2-CG 3.72Å |
| 862 | K | 84.6 | Confident | 87.4 | Confident | 102 Ų | 102 | 59.2 Ų | 59.2 | 44% | 0.443 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -69.4 | -10.1 | -175.2 | -65 | -173.2 | 179.8 | -169.7 | 0 | 114.5 | I856 S858 P859 E860 L877 | I856-K862 HydrophobicContact CB-CG 4.46Å; I856-K862 HydrophobicContact CG2-CG 4.25Å; I856-K862 WeakPolarHBondContact O-CE 3.32Å; I856-K862 PolarHBondContact O-NZ 2.92Å; S858-K862 WeakPolarHBondContact O-CE 3.46Å; S858-K862 WeakPolarHBondContact O-CG 3.36Å; P859-K862 WeakPolarHBondContact O-CB 3.48Å; P859-K862 PolarHBondContact O-N 2.63Å; P859-K862 VanDerWaalsContact O-N 3.11Å; E860-K862 PolarHBondContact O-N 2.67Å; K862-L877 VanDerWaalsContact O-CD2 3.27Å; K862-L877 WeakPolarHBondContact O-CD2 3.18Å |
| 863 | H | 85.2 | Confident | 87.8 | Confident | 112 Ų | 112 | 61.9 Ų | 61.9 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -94 | -8.8 | 172.2 | 76.4 | -85.6 | 0 | 0 | 0 | 112.8 | E860 V861 | E860-H863 PolarHBondContact O-CE1 3.27Å; E860-H863 PolarHBondContact O-ND1 2.8Å; V861-H863 PolarHBondContact O-N 3.22Å; V861-H863 VanDerWaalsContact O-N 3.13Å |
| 864 | L | 84.6 | Confident | 88 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 14% | 0.141 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -38.7 | 177.5 | -58.1 | 178.9 | 0 | 0 | 0 | 111.7 | V861 L877 R878 L880 I892 | V861-L864 PolarHBondContact O-N 2.76Å; L864-L877 PolarHBondContact O-N 2.86Å; L864-R878 PolarHBondContact O-N 3.18Å; L864-L880 HydrophobicContact CB-CD2 4.37Å; L864-L880 HydrophobicContact CD1-CD2 4.37Å; L864-L880 HydrophobicContact CD2-CD2 4.23Å; L864-I892 HydrophobicContact CD1-CD1 3.8Å |
| 865 | F | 91 | Very high | 88 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.013 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.4 | -176.1 | -49.6 | -56.5 | 0 | 0 | 0 | 113 | F838 I856 V861 L874 S875 L876 L880 I892 F894 V914 | F838-F865 AromaticContact CE1-CD1 3.77Å; F838-F865 HydrophobicContact CE1-CD1 3.77Å; F838-F865 HydrophobicContact CE1-CE1 4.05Å; F838-F865 AromaticContact CZ-CD1 3.56Å; F838-F865 HydrophobicContact CZ-CD1 3.56Å; F838-F865 AromaticContact CZ-CE1 3.7Å; F838-F865 HydrophobicContact CZ-CE1 3.7Å; F838-F865 HydrophobicContact CZ-CG 4.31Å; I856-F865 HydrophobicContact CD1-CB 4.09Å; I856-F865 WeakPolarHBondContact CD1-O 3.42Å; V861-F865 HydrophobicContact CB-CD2 3.79Å; V861-F865 HydrophobicContact CB-CE2 4.15Å; V861-F865 HydrophobicContact CG2-CD2 4.06Å; V861-F865 PolarHBondContact O-N 3.09Å; F865-L874 HydrophobicContact CB-CD1 4.07Å; F865-S875 CarbonylContact C-O 3.55Å; F865-S875 WeakPolarHBondContact CA-O 3.45Å; F865-L876 HydrophobicContact CD1-CD2 3.8Å; F865-L876 HydrophobicContact CE1-CD2 3.61Å; F865-L880 HydrophobicContact CE1-CD1 4.27Å; F865-L880 HydrophobicContact CE1-CD2 4.48Å; F865-L880 HydrophobicContact CZ-CD1 4.48Å; F865-I892 HydrophobicContact CE2-CD1 4.15Å; F865-I892 HydrophobicContact CE2-CG2 4.14Å; F865-I892 HydrophobicContact CZ-CD1 3.9Å; F865-F894 HydrophobicContact CD2-CD1 4.18Å; F865-F894 AromaticContact CD2-CE1 3.38Å; F865-F894 HydrophobicContact CD2-CE1 3.38Å; F865-F894 AromaticContact CD2-CZ 3.56Å; F865-F894 HydrophobicContact CD2-CZ 3.56Å; F865-F894 HydrophobicContact CE2-CD1 4.11Å; F865-F894 AromaticContact CE2-CE1 3.42Å; F865-F894 HydrophobicContact CE2-CE1 3.42Å; F865-F894 VanDerWaalsContact CE2-CE1 3.42Å; F865-F894 HydrophobicContact CE2-CZ 4.07Å; F865-F894 HydrophobicContact CG-CE1 4.36Å; F865-F894 HydrophobicContact CG-CZ 4.2Å; F865-F894 HydrophobicContact CZ-CE1 4.4Å; F865-V914 HydrophobicContact CE1-CG1 4.46Å; F865-V914 HydrophobicContact CE1-CG2 4.37Å; F865-V914 HydrophobicContact CE2-CG2 4.29Å; F865-V914 HydrophobicContact CZ-CB 4.08Å; F865-V914 HydrophobicContact CZ-CG1 4.03Å; F865-V914 HydrophobicContact CZ-CG2 3.87Å |
| 866 | A | 90.3 | Very high | 87.9 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 141.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | L874 S875 L877 | A866-L874 WeakPolarHBondContact O-CA 3.31Å; A866-S875 PolarHBondContact N-O 2.89Å; A866-S875 PolarHBondContact O-N 3.13Å; A866-L877 HydrophobicContact CB-CB 4.4Å; A866-L877 HydrophobicContact CB-CD1 4.48Å |
| 867 | L | 92 | Very high | 87.7 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 116.1 | 171.9 | 179.9 | 62.7 | 0 | 0 | 0 | 107.8 | I841 I856 E873 L874 V896 | I841-L867 HydrophobicContact CD1-CD1 4.01Å; I841-L867 HydrophobicContact CG1-CD1 4.47Å; I856-L867 HydrophobicContact CD1-CB 4Å; I856-L867 HydrophobicContact CG1-CB 3.71Å; I856-L867 HydrophobicContact CG1-CD2 4.07Å; L867-E873 CarbonylContact C-O 3.56Å; L867-E873 WeakPolarHBondContact CA-O 3.33Å; L867-L874 HydrophobicContact CB-CD1 4.13Å; L867-L874 HydrophobicContact CD1-CB 4.08Å; L867-L874 HydrophobicContact CD1-CD1 4.21Å; L867-V896 HydrophobicContact CD2-CB 4.21Å; L867-V896 HydrophobicContact CD2-CG1 3.89Å |
| 868 | H | 89.5 | Confident | 87.4 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 40% | 0.398 | 30% | 0.299 | S | S | . | . | trans | -71.5 | 119.1 | -176.4 | -176.3 | -113.2 | 0 | 0 | 0 | 110.3 | F870 T871 G872 E873 | H868-F870 PolarHBondContact O-N 3.08Å; H868-T871 PolarHBondContact ND1-N 2.58Å; H868-T871 PolarHBondContact ND1-OG1 2.94Å; H868-T871 PolarHBondContact O-N 3.13Å; H868-G872 PolarHBondContact O-N 3.01Å; H868-E873 HydrophobicContact CB-CB 4.2Å; H868-E873 PolarHBondContact N-O 2.69Å | ||
| 869 | P | 88.4 | Confident | 87.1 | Confident | 52 Ų | 52 | 60 Ų | 60 | 34% | 0.338 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.4 | -162.3 | 24.2 | -35 | 0 | 0 | 0 | 114.5 | S853 Y854 | S853-P869 CarbonylContact C-O 3.56Å; S853-P869 VanDerWaalsContact CA-O 3.24Å; S853-P869 WeakPolarHBondContact CA-O 3.49Å; Y854-P869 WeakPolarHBondContact CD2-O 3.16Å; Y854-P869 PolarHBondContact N-O 3.46Å |
| 870 | F | 85.8 | Confident | 87.1 | Confident | 141 Ų | 141 | 56 Ų | 56 | 62% | 0.618 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -18.2 | -177 | -59.1 | -68.2 | 0 | 0 | 0 | 115.1 | H868 | H868-F870 PolarHBondContact O-N 3.08Š|
| 871 | T | 86.6 | Confident | 86.8 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 32% | 0.319 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -21.7 | 178.4 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | Q840 H868 E873 | Q840-T871 PolarHBondContact NE2-O 2.87Å; H868-T871 PolarHBondContact ND1-N 2.58Å; H868-T871 PolarHBondContact ND1-OG1 2.94Å; H868-T871 PolarHBondContact O-N 3.13Å; T871-E873 VanDerWaalsContact C-N 3.28Å; T871-E873 WeakPolarHBondContact CB-OE1 3.45Å; T871-E873 WeakPolarHBondContact CG2-OE1 3.28Å; T871-E873 VanDerWaalsContact OG1-CD 3.27Å; T871-E873 PolarHBondContact OG1-OE1 3.12Å |
| 872 | G | 88.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | 75.7 | 15 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I841 H868 L874 | I841-G872 PolarHBondContact N-O 2.89Å; I841-G872 WeakPolarHBondContact O-CA 3.38Å; H868-G872 PolarHBondContact O-N 3.01Å; G872-L874 PolarHBondContact O-N 2.99Å | ||
| 873 | E | 90.9 | Very high | 85.6 | Confident | 74 Ų | 74 | 54 Ų | 54 | 35% | 0.346 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 120.7 | 167.6 | -76.1 | 154.7 | -111.5 | 0 | 0 | 110.1 | Q840 L867 H868 T871 | Q840-E873 VanDerWaalsContact OE1-CG 3.3Å; L867-E873 CarbonylContact C-O 3.56Å; L867-E873 WeakPolarHBondContact CA-O 3.33Å; H868-E873 HydrophobicContact CB-CB 4.2Å; H868-E873 PolarHBondContact N-O 2.69Å; T871-E873 VanDerWaalsContact C-N 3.28Å; T871-E873 WeakPolarHBondContact CB-OE1 3.45Å; T871-E873 WeakPolarHBondContact CG2-OE1 3.28Å; T871-E873 VanDerWaalsContact OG1-CD 3.27Å; T871-E873 PolarHBondContact OG1-OE1 3.12Å |
| 874 | L | 91.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.2 | 170.7 | -176.4 | 75.5 | 0 | 0 | 0 | 108.8 | S837 F838 L839 I856 F865 A866 L867 G872 F894 V912 | S837-L874 WeakPolarHBondContact CA-O 3.48Å; F838-L874 HydrophobicContact CD2-CD2 4.42Å; F838-L874 HydrophobicContact CE1-CG 4.24Å; F838-L874 HydrophobicContact CE2-CD2 3.46Å; F838-L874 VanDerWaalsContact CE2-CD2 3.46Å; F838-L874 HydrophobicContact CE2-CG 4.04Å; F838-L874 HydrophobicContact CZ-CD2 3.53Å; F838-L874 HydrophobicContact CZ-CG 3.67Å; F838-L874 PolarHBondContact N-O 3.09Å; L839-L874 HydrophobicContact CB-CB 4.15Å; L839-L874 HydrophobicContact CB-CD2 4.14Å; L839-L874 HydrophobicContact CD2-CD2 3.97Å; L839-L874 PolarHBondContact N-O 2.92Å; L839-L874 PolarHBondContact O-N 2.82Å; I856-L874 HydrophobicContact CD1-CD1 4.14Å; F865-L874 HydrophobicContact CB-CD1 4.07Å; A866-L874 WeakPolarHBondContact O-CA 3.31Å; L867-L874 HydrophobicContact CB-CD1 4.13Å; L867-L874 HydrophobicContact CD1-CB 4.08Å; L867-L874 HydrophobicContact CD1-CD1 4.21Å; G872-L874 PolarHBondContact O-N 2.99Å; L874-F894 HydrophobicContact CD1-CE2 4.23Å; L874-F894 HydrophobicContact CD1-CZ 4.06Å; L874-F894 HydrophobicContact CD2-CZ 3.87Å; L874-V912 HydrophobicContact CD2-CG1 3.93Å |
| 875 | S | 91 | Very high | 84.1 | Confident | 23 Ų | 23 | 52.6 Ų | 52.6 | 16% | 0.161 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 160.7 | -175.2 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | T836 F865 A866 L877 | T836-S875 CarbonylContact O-C 3.4Å; T836-S875 WeakPolarHBondContact O-CA 3.1Å; T836-S875 WeakPolarHBondContact O-CB 3.43Å; F865-S875 CarbonylContact C-O 3.55Å; F865-S875 WeakPolarHBondContact CA-O 3.45Å; A866-S875 PolarHBondContact N-O 2.89Å; A866-S875 PolarHBondContact O-N 3.13Å; S875-L877 PolarHBondContact O-N 2.85Å |
| 876 | L | 88.7 | Confident | 82.9 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 125.9 | 173.1 | -65.7 | -174.5 | 0 | 0 | 0 | 110.6 | L832 A834 G835 T836 F838 F865 L880 | L832-L876 HydrophobicContact CB-CD1 3.62Å; L832-L876 WeakPolarHBondContact O-CD1 3.17Å; A834-L876 CarbonylContact C-O 2.97Å; A834-L876 WeakPolarHBondContact CA-O 3.11Å; G835-L876 PolarHBondContact N-O 3.42Å; T836-L876 PolarHBondContact O-N 3.02Å; T836-L876 WeakPolarHBondContact OG1-CD1 3.43Å; F838-L876 HydrophobicContact CD1-CD2 4.32Å; F838-L876 HydrophobicContact CD1-CG 4.3Å; F838-L876 HydrophobicContact CE1-CD2 3.84Å; F838-L876 HydrophobicContact CE1-CG 4.22Å; F865-L876 HydrophobicContact CD1-CD2 3.8Å; F865-L876 HydrophobicContact CE1-CD2 3.61Å; L876-L880 HydrophobicContact CD2-CD1 4.09Å; L876-L880 HydrophobicContact CD2-CD2 4.46Å; L876-L880 HydrophobicContact CD2-CG 3.94Å |
| 877 | L | 86.6 | Confident | 81.3 | Confident | 98 Ų | 98 | 64.1 Ų | 64.1 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -86.1 | -30.3 | 167.1 | -173.7 | 66.1 | 0 | 0 | 0 | 111.3 | A834 K862 L864 A866 S875 | A834-L877 WeakPolarHBondContact CB-O 3Å; K862-L877 VanDerWaalsContact O-CD2 3.27Å; K862-L877 WeakPolarHBondContact O-CD2 3.18Å; L864-L877 PolarHBondContact O-N 2.86Å; A866-L877 HydrophobicContact CB-CB 4.4Å; A866-L877 HydrophobicContact CB-CD1 4.48Å; S875-L877 PolarHBondContact O-N 2.85Å |
| 878 | R | 82.8 | Confident | 79.5 | Confident | 143 Ų | 143 | 72 Ų | 72 | 54% | 0.54 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -134.5 | 144 | 171.8 | -175.7 | -173.5 | 164.6 | -179.8 | -6.8 | 107.4 | L864 | L864-R878 PolarHBondContact O-N 3.18Š|
| 879 | S | 80.3 | Confident | 78 | Confident | 39 Ų | 39 | 75.2 Ų | 75.2 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | trans | -57.6 | 142.7 | 169.9 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | L832 | L832-S879 VanDerWaalsContact O-CB 3.31Å; L832-S879 WeakPolarHBondContact O-CB 3.23Å; L832-S879 PolarHBondContact O-OG 3.2Å | ||
| 880 | L | 82.3 | Confident | 77 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | trans | -83.7 | 157.5 | 170.8 | -56.5 | -180 | 0 | 0 | 0 | 109.5 | V828 N831 L864 F865 L876 V914 V916 | V828-L880 HydrophobicContact CB-CD1 4.45Å; V828-L880 HydrophobicContact CG1-CD1 4Å; N831-L880 PolarHBondContact N-O 3Å; L864-L880 HydrophobicContact CB-CD2 4.37Å; L864-L880 HydrophobicContact CD1-CD2 4.37Å; L864-L880 HydrophobicContact CD2-CD2 4.23Å; F865-L880 HydrophobicContact CE1-CD1 4.27Å; F865-L880 HydrophobicContact CE1-CD2 4.48Å; F865-L880 HydrophobicContact CZ-CD1 4.48Å; L876-L880 HydrophobicContact CD2-CD1 4.09Å; L876-L880 HydrophobicContact CD2-CD2 4.46Å; L876-L880 HydrophobicContact CD2-CG 3.94Å; L880-V914 HydrophobicContact CD1-CG1 4.27Å; L880-V916 HydrophobicContact CB-CG1 4.34Å; L880-V916 HydrophobicContact CD1-CG2 3.9Å | ||
| 881 | D | 75.4 | Confident | 76.7 | Confident | 57 Ų | 57 | 69.7 Ų | 69.7 | 31% | 0.305 | 37% | 0.368 | S | S | . | . | trans | -152.1 | 115 | -162.8 | 155.7 | -20.8 | 0 | 0 | 0 | 102.9 | A884 F885 | D881-A884 HydrophobicContact CB-CB 4.31Å; D881-A884 WeakPolarHBondContact OD1-CB 3.17Å; D881-A884 PolarHBondContact OD1-N 3.35Å; D881-F885 WeakPolarHBondContact O-CD2 3.28Å; D881-F885 WeakPolarHBondContact O-CE2 3.49Å | ||
| 882 | Y | 75.4 | Confident | 76.6 | Confident | 77 Ų | 77 | 68.2 Ų | 68.2 | 30% | 0.302 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -74.8 | -36.4 | -168.5 | -176.5 | -97.2 | 0 | 0 | 0 | 111.5 | E830 A884 F885 A890 V916 D918 | E830-Y882 VanDerWaalsContact CD-CB 3.47Å; E830-Y882 VanDerWaalsContact OE1-CB 3.27Å; E830-Y882 WeakPolarHBondContact OE1-CB 3.42Å; E830-Y882 WeakPolarHBondContact OE2-CB 3.31Å; E830-Y882 PolarHBondContact OE2-N 3.14Å; Y882-A884 PolarHBondContact O-N 2.98Å; Y882-F885 WeakPolarHBondContact O-CB 3.44Å; Y882-F885 WeakPolarHBondContact O-CD2 3.43Å; Y882-F885 PolarHBondContact O-N 2.61Å; Y882-A890 HydrophobicContact CD2-CB 3.92Å; Y882-A890 HydrophobicContact CE2-CB 3.4Å; Y882-A890 VanDerWaalsContact CE2-CB 3.4Å; Y882-V916 HydrophobicContact CD2-CB 4.32Å; Y882-V916 HydrophobicContact CD2-CG1 4.13Å; Y882-D918 HydrophobicContact CD1-CB 4.24Å; Y882-D918 HydrophobicContact CD2-CB 4.17Å; Y882-D918 HydrophobicContact CE1-CB 4.08Å; Y882-D918 HydrophobicContact CE2-CB 3.99Å; Y882-D918 HydrophobicContact CG-CB 4.3Å |
| 883 | E | 69.4 | Low | 76.5 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 40% | 0.402 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -23.2 | 178.4 | -70.2 | 54.9 | -119.7 | 0 | 0 | 112.2 | F885 | E883-F885 PolarHBondContact O-N 3.36Š|
| 884 | A | 70.2 | Confident | 76.5 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 58% | 0.579 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -10.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D881 Y882 | D881-A884 HydrophobicContact CB-CB 4.31Å; D881-A884 WeakPolarHBondContact OD1-CB 3.17Å; D881-A884 PolarHBondContact OD1-N 3.35Å; Y882-A884 PolarHBondContact O-N 2.98Å |
| 885 | F | 69.3 | Low | 76.5 | Confident | 41 Ų | 41 | 71.8 Ų | 71.8 | 18% | 0.18 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -95.1 | 138.2 | 173.9 | -63 | -89.1 | 0 | 0 | 0 | 111.5 | D881 Y882 E883 A890 I892 V916 | D881-F885 WeakPolarHBondContact O-CD2 3.28Å; D881-F885 WeakPolarHBondContact O-CE2 3.49Å; Y882-F885 WeakPolarHBondContact O-CB 3.44Å; Y882-F885 WeakPolarHBondContact O-CD2 3.43Å; Y882-F885 PolarHBondContact O-N 2.61Å; E883-F885 PolarHBondContact O-N 3.36Å; F885-A890 HydrophobicContact CB-CB 4.33Å; F885-A890 HydrophobicContact CG-CB 4.47Å; F885-I892 HydrophobicContact CE1-CD1 3.87Å; F885-I892 HydrophobicContact CE1-CG1 3.77Å; F885-I892 HydrophobicContact CZ-CD1 3.78Å; F885-I892 HydrophobicContact CZ-CG1 4.19Å; F885-V916 HydrophobicContact CD2-CG2 4.45Å; F885-V916 HydrophobicContact CE2-CB 4.34Å; F885-V916 HydrophobicContact CE2-CG1 4.42Å; F885-V916 HydrophobicContact CE2-CG2 3.7Å; F885-V916 HydrophobicContact CZ-CG2 3.76Å |
| 886 | P | 65.4 | Low | 76.6 | Confident | 108 Ų | 108 | 70.7 Ų | 70.7 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | trans | -62.1 | 142.6 | 174.3 | -21.5 | 33.1 | 0 | 0 | 0 | 112.5 | Q888 E889 | P886-Q888 PolarHBondContact O-N 2.94Å; P886-E889 PolarHBondContact O-N 2.91Å | ||
| 887 | D | 56.7 | Low | 76.7 | Confident | 171 Ų | 171 | 71 Ų | 71 | 91% | 0.914 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45 | 7.2 | -171.6 | -46.9 | -32.3 | 0 | 0 | 0 | 119.9 | ||
| 888 | Q | 54.2 | Low | 76.8 | Confident | 187 Ų | 187 | 66.4 Ų | 66.4 | 87% | 0.874 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134 | -22 | -175.4 | -61.6 | -165.6 | -13.2 | 0 | 0 | 116 | P886 | P886-Q888 PolarHBondContact O-N 2.94Š|
| 889 | E | 57.7 | Low | 76.9 | Confident | 154 Ų | 154 | 61.5 Ų | 61.5 | 72% | 0.72 | 33% | 0.334 | S | S | * | . | trans | -145.8 | 77 | -175.7 | -67.3 | -168.6 | 166.8 | 0 | 0 | 114.1 | P886 S891 | P886-E889 PolarHBondContact O-N 2.91Å; E889-S891 PolarHBondContact O-N 3.01Å | ||
| 890 | A | 67.5 | Low | 76.9 | Confident | 19 Ų | 19 | 60 Ų | 60 | 16% | 0.157 | 32% | 0.323 | C | S | . | . | trans | -74 | 56.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y882 F885 V916 | Y882-A890 HydrophobicContact CD2-CB 3.92Å; Y882-A890 HydrophobicContact CE2-CB 3.4Å; Y882-A890 VanDerWaalsContact CE2-CB 3.4Å; F885-A890 HydrophobicContact CB-CB 4.33Å; F885-A890 HydrophobicContact CG-CB 4.47Å; A890-V916 PolarHBondContact O-N 3.01Å | ||
| 891 | S | 79.9 | Confident | 76.4 | Confident | 57 Ų | 57 | 63.8 Ų | 63.8 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 142.6 | 180 | 73.5 | 0 | 0 | 0 | 0 | 113.7 | E889 V914 | E889-S891 PolarHBondContact O-N 3.01Å; S891-V914 CarbonylContact C-O 3.58Å; S891-V914 WeakPolarHBondContact CA-O 3.19Å |
| 892 | I | 84 | Confident | 75.9 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 11% | 0.108 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.4 | -178.2 | -55 | 163 | 0 | 0 | 0 | 109.4 | V861 L864 F865 F885 F894 T913 V914 | V861-I892 HydrophobicContact CG1-CG2 3.54Å; L864-I892 HydrophobicContact CD1-CD1 3.8Å; F865-I892 HydrophobicContact CE2-CD1 4.15Å; F865-I892 HydrophobicContact CE2-CG2 4.14Å; F865-I892 HydrophobicContact CZ-CD1 3.9Å; F885-I892 HydrophobicContact CE1-CD1 3.87Å; F885-I892 HydrophobicContact CE1-CG1 3.77Å; F885-I892 HydrophobicContact CZ-CD1 3.78Å; F885-I892 HydrophobicContact CZ-CG1 4.19Å; I892-F894 HydrophobicContact CG2-CD1 4.28Å; I892-T913 CarbonylContact O-C 3.54Å; I892-T913 WeakPolarHBondContact O-CA 3.37Å; I892-V914 PolarHBondContact N-O 2.85Å; I892-V914 PolarHBondContact O-N 3.05Å |
| 893 | T | 87.7 | Confident | 75.4 | Confident | 91 Ų | 91 | 67.5 Ų | 67.5 | 56% | 0.558 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 133.6 | 176.4 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | V912 | T893-V912 CarbonylContact C-O 3.54Å; T893-V912 WeakPolarHBondContact CA-O 3.5Å |
| 894 | F | 90.8 | Very high | 75.5 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.018 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 176.6 | -177.5 | 63.2 | -87.7 | 0 | 0 | 0 | 114.4 | I856 S858 V861 F865 L874 I892 V896 V912 V914 | I856-F894 HydrophobicContact CD1-CE2 4.33Å; I856-F894 HydrophobicContact CG1-CE2 4.37Å; I856-F894 HydrophobicContact CG2-CD2 4.01Å; I856-F894 HydrophobicContact CG2-CE2 4.34Å; S858-F894 WeakPolarHBondContact OG-CB 3.49Å; V861-F894 HydrophobicContact CB-CD1 4.43Å; V861-F894 HydrophobicContact CG1-CB 4.08Å; V861-F894 HydrophobicContact CG1-CD1 4.14Å; V861-F894 HydrophobicContact CG1-CG 4.31Å; V861-F894 HydrophobicContact CG2-CB 3.91Å; V861-F894 HydrophobicContact CG2-CD1 4.03Å; V861-F894 HydrophobicContact CG2-CD2 3.9Å; V861-F894 HydrophobicContact CG2-CE1 4.45Å; V861-F894 HydrophobicContact CG2-CE2 4.32Å; V861-F894 HydrophobicContact CG2-CG 3.72Å; F865-F894 HydrophobicContact CD2-CD1 4.18Å; F865-F894 AromaticContact CD2-CE1 3.38Å; F865-F894 HydrophobicContact CD2-CE1 3.38Å; F865-F894 AromaticContact CD2-CZ 3.56Å; F865-F894 HydrophobicContact CD2-CZ 3.56Å; F865-F894 HydrophobicContact CE2-CD1 4.11Å; F865-F894 AromaticContact CE2-CE1 3.42Å; F865-F894 HydrophobicContact CE2-CE1 3.42Å; F865-F894 VanDerWaalsContact CE2-CE1 3.42Å; F865-F894 HydrophobicContact CE2-CZ 4.07Å; F865-F894 HydrophobicContact CG-CE1 4.36Å; F865-F894 HydrophobicContact CG-CZ 4.2Å; F865-F894 HydrophobicContact CZ-CE1 4.4Å; L874-F894 HydrophobicContact CD1-CE2 4.23Å; L874-F894 HydrophobicContact CD1-CZ 4.06Å; L874-F894 HydrophobicContact CD2-CZ 3.87Å; I892-F894 HydrophobicContact CG2-CD1 4.28Å; F894-V896 HydrophobicContact CD2-CG1 4.3Å; F894-V896 HydrophobicContact CE2-CG1 4.07Å; F894-V912 HydrophobicContact CD1-CB 4.39Å; F894-V912 HydrophobicContact CD2-CB 4.25Å; F894-V912 HydrophobicContact CE1-CB 4.11Å; F894-V912 HydrophobicContact CE1-CG1 3.9Å; F894-V912 HydrophobicContact CE2-CB 3.97Å; F894-V912 HydrophobicContact CE2-CG1 4.29Å; F894-V912 HydrophobicContact CE2-CG2 4.27Å; F894-V912 HydrophobicContact CG-CB 4.47Å; F894-V912 HydrophobicContact CZ-CB 3.92Å; F894-V912 HydrophobicContact CZ-CG1 3.75Å; F894-V912 PolarHBondContact N-O 2.78Å; F894-V912 PolarHBondContact O-N 3.3Å; F894-V914 HydrophobicContact CE1-CG2 4.15Å |
| 895 | L | 92.4 | Very high | 75.7 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 29% | 0.288 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 144.9 | -176.4 | -73.8 | 166 | 0 | 0 | 0 | 112.3 | R857 S858 I909 A910 T911 | R857-L895 HydrophobicContact CB-CB 3.91Å; R857-L895 WeakPolarHBondContact CB-O 3.49Å; R857-L895 HydrophobicContact CG-CB 4.44Å; R857-L895 PolarHBondContact N-O 2.94Å; S858-L895 PolarHBondContact OG-N 3.2Å; L895-I909 HydrophobicContact CD2-CG2 4.17Å; L895-A910 WeakPolarHBondContact CA-O 3.43Å; L895-A910 WeakPolarHBondContact CD2-O 3.1Å; L895-T911 HydrophobicContact CD2-CG2 3.45Å; L895-T911 VanDerWaalsContact CD2-CG2 3.45Å; L895-T911 HydrophobicContact CG-CG2 4.5Å |
| 896 | V | 92.3 | Very high | 76.3 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 154.2 | 173.5 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | F819 I841 R855 I856 L867 F894 I909 A910 V912 | F819-V896 HydrophobicContact CE2-CG2 4.46Å; F819-V896 HydrophobicContact CZ-CG2 3.98Å; I841-V896 HydrophobicContact CD1-CG1 4.15Å; I841-V896 HydrophobicContact CD1-CG2 4.08Å; I841-V896 HydrophobicContact CG2-CG2 4.5Å; R855-V896 CarbonylContact O-C 3.52Å; R855-V896 WeakPolarHBondContact O-CA 3.43Å; I856-V896 HydrophobicContact CG1-CG1 4.39Å; L867-V896 HydrophobicContact CD2-CB 4.21Å; L867-V896 HydrophobicContact CD2-CG1 3.89Å; F894-V896 HydrophobicContact CD2-CG1 4.3Å; F894-V896 HydrophobicContact CE2-CG1 4.07Å; V896-I909 WeakPolarHBondContact O-CA 3.32Å; V896-A910 HydrophobicContact CG2-CB 3.89Å; V896-A910 PolarHBondContact N-O 3.37Å; V896-A910 PolarHBondContact O-N 3.04Å; V896-V912 HydrophobicContact CG1-CG2 4.11Å; V896-V912 HydrophobicContact CG2-CG2 4.33Å |
| 897 | E | 90.6 | Very high | 77.2 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 151 | -176 | -62.1 | 175.7 | 151.4 | 0 | 0 | 111.3 | Y854 R855 R857 F899 G908 I909 | Y854-E897 WeakPolarHBondContact CA-O 3.14Å; R855-E897 HydrophobicContact CG-CB 4.09Å; R855-E897 IonicContact CZ-OE2 3.16Å; R855-E897 PolarHBondContact N-O 3.46Å; R855-E897 IonicContact NE-OE2 2.69Å; R855-E897 PolarHBondContact NE-OE2 3.19Å; R855-E897 IonicContact NH2-OE2 4Å; R855-E897 PolarHBondContact NH2-OE2 3.33Å; R855-E897 PolarHBondContact O-N 3.24Å; R857-E897 HydrophobicContact CB-CG 4.15Å; R857-E897 VanDerWaalsContact CD-OE1 3.24Å; R857-E897 WeakPolarHBondContact CD-OE1 3.25Å; R857-E897 IonicContact CZ-OE1 3.08Å; R857-E897 IonicContact NE-OE1 2.59Å; R857-E897 IonicContact NH1-OE1 2.65Å; R857-E897 PolarHBondContact NH1-OE1 3.49Å; E897-F899 HydrophobicContact CB-CE2 3.68Å; E897-F899 HydrophobicContact CB-CZ 4.3Å; E897-G908 CarbonylContact C-O 3.59Å; E897-G908 WeakPolarHBondContact CA-O 3.41Å; E897-I909 HydrophobicContact CG-CG1 4.3Å; E897-I909 HydrophobicContact CG-CG2 4.35Å |
| 898 | A | 89 | Confident | 78.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | F819 A843 V852 S853 Y854 P907 G908 | F819-A898 HydrophobicContact CD1-CB 4.5Å; F819-A898 HydrophobicContact CD2-CB 4.43Å; F819-A898 HydrophobicContact CE1-CB 3.9Å; F819-A898 HydrophobicContact CE2-CB 3.84Å; F819-A898 HydrophobicContact CZ-CB 3.54Å; A843-A898 HydrophobicContact CB-CB 3.9Å; V852-A898 HydrophobicContact CG1-CB 3.91Å; S853-A898 CarbonylContact O-C 3.48Å; S853-A898 WeakPolarHBondContact O-CA 3.46Å; Y854-A898 HydrophobicContact CD1-CB 3.98Å; Y854-A898 HydrophobicContact CE1-CB 4.18Å; A898-P907 CarbonylContact O-C 3.51Å; A898-P907 WeakPolarHBondContact O-CA 3.36Å; A898-P907 WeakPolarHBondContact O-CB 3.12Å; A898-G908 PolarHBondContact N-O 3.46Å; A898-G908 PolarHBondContact O-N 3.2Å |
| 899 | F | 85.4 | Confident | 80.4 | Confident | 40 Ų | 40 | 55 Ų | 55 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 153.9 | -171.6 | -66 | -98.7 | 0 | 0 | 0 | 112 | V852 S853 R855 E897 P907 | V852-F899 CarbonylContact C-O 3.54Å; V852-F899 VanDerWaalsContact CA-O 3.3Å; V852-F899 WeakPolarHBondContact CA-O 3.11Å; S853-F899 PolarHBondContact N-O 2.62Å; S853-F899 PolarHBondContact O-N 2.71Å; R855-F899 HydrophobicContact CG-CE2 3.89Å; R855-F899 VanDerWaalsContact NE-CE2 3.35Å; E897-F899 HydrophobicContact CB-CE2 3.68Å; E897-F899 HydrophobicContact CB-CZ 4.3Å; F899-P907 HydrophobicContact CD1-CB 3.78Å; F899-P907 HydrophobicContact CD1-CG 4.29Å; F899-P907 HydrophobicContact CD2-CB 4.24Å; F899-P907 HydrophobicContact CE1-CB 3.5Å; F899-P907 VanDerWaalsContact CE1-CB 3.5Å; F899-P907 HydrophobicContact CE1-CG 3.61Å; F899-P907 HydrophobicContact CE2-CB 3.96Å; F899-P907 HydrophobicContact CG-CB 4.12Å; F899-P907 HydrophobicContact CZ-CB 3.56Å; F899-P907 HydrophobicContact CZ-CG 3.75Å |
| 900 | D | 80.1 | Confident | 82 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | trans | -66.5 | 174.1 | 161.9 | 53.9 | 0.5 | 0 | 0 | 0 | 111.1 | P817 G903 T904 M905 | P817-D900 HydrophobicContact CG-CB 4.28Å; D900-G903 VanDerWaalsContact CG-N 3.33Å; D900-G903 WeakPolarHBondContact OD1-CA 3.16Å; D900-G903 PolarHBondContact OD1-N 2.95Å; D900-G903 PolarHBondContact OD2-N 3.29Å; D900-T904 PolarHBondContact OD2-N 3.23Å; D900-T904 PolarHBondContact OD2-OG1 3.46Å; D900-M905 PolarHBondContact OD2-N 2.65Å | ||
| 901 | I | 70.6 | Confident | 83.1 | Confident | 86 Ų | 86 | 49.1 Ų | 49.1 | 44% | 0.441 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -78.6 | -29.2 | 173.2 | -105.2 | -177.9 | 0 | 0 | 0 | 112 | N851 | N851-I901 HydrophobicContact CB-CD1 3.76Å; N851-I901 HydrophobicContact CB-CG1 4.27Å |
| 902 | Y | 66.6 | Low | 83.7 | Confident | 151 Ų | 151 | 46.4 Ų | 46.4 | 59% | 0.592 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -92.1 | -14.9 | -171.7 | -63.6 | -59.3 | 0 | 0 | 0 | 113.9 | D813 T904 | D813-Y902 WeakPolarHBondContact OD1-CD2 3.1Å; Y902-T904 VanDerWaalsContact CB-OG1 3.25Å; Y902-T904 WeakPolarHBondContact CB-OG1 3.12Å; Y902-T904 PolarHBondContact O-N 3.37Å |
| 903 | G | 64.5 | Low | 84 | Confident | 61 Ų | 61 | 46.8 Ų | 46.8 | 63% | 0.629 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 68.6 | 16.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D900 | D900-G903 VanDerWaalsContact CG-N 3.33Å; D900-G903 WeakPolarHBondContact OD1-CA 3.16Å; D900-G903 PolarHBondContact OD1-N 2.95Å; D900-G903 PolarHBondContact OD2-N 3.29Å |
| 904 | T | 70.2 | Confident | 84 | Confident | 89 Ų | 89 | 42.5 Ų | 42.5 | 55% | 0.546 | 24% | 0.243 | S | C | . | . | trans | -83.7 | -28.8 | -172.3 | 14.9 | 0 | 0 | 0 | 0 | 111.5 | D813 D900 Y902 | D813-T904 WeakPolarHBondContact OD2-CB 3.48Å; D813-T904 PolarHBondContact OD2-OG1 3.49Å; D900-T904 PolarHBondContact OD2-N 3.23Å; D900-T904 PolarHBondContact OD2-OG1 3.46Å; Y902-T904 VanDerWaalsContact CB-OG1 3.25Å; Y902-T904 WeakPolarHBondContact CB-OG1 3.12Å; Y902-T904 PolarHBondContact O-N 3.37Å | ||
| 905 | M | 75.6 | Confident | 83.7 | Confident | 65 Ų | 65 | 45.7 Ų | 45.7 | 32% | 0.32 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -123.5 | 161.1 | -170.9 | -66.8 | -69.4 | -83.4 | 0 | 0 | 113.2 | D814 N815 S816 D900 | D814-M905 WeakPolarHBondContact O-CE 3.43Å; N815-M905 WeakPolarHBondContact O-CB 3.27Å; N815-M905 WeakPolarHBondContact O-CE 3.31Å; N815-M905 WeakPolarHBondContact O-CG 3.32Å; S816-M905 WeakPolarHBondContact OG-CE 3.31Å; D900-M905 PolarHBondContact OD2-N 2.65Å |
| 906 | P | 80.9 | Confident | 83.2 | Confident | 91 Ų | 91 | 43.3 Ų | 43.3 | 59% | 0.591 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -73.5 | 140.8 | -166.9 | -19.4 | 34 | 0 | 0 | 0 | 114.1 | ||
| 907 | P | 85.4 | Confident | 82.4 | Confident | 52 Ų | 52 | 47.2 Ų | 47.2 | 34% | 0.338 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 147.6 | -176.4 | 31.4 | -36.8 | 0 | 0 | 0 | 114.7 | A898 F899 | A898-P907 CarbonylContact O-C 3.51Å; A898-P907 WeakPolarHBondContact O-CA 3.36Å; A898-P907 WeakPolarHBondContact O-CB 3.12Å; F899-P907 HydrophobicContact CD1-CB 3.78Å; F899-P907 HydrophobicContact CD1-CG 4.29Å; F899-P907 HydrophobicContact CD2-CB 4.24Å; F899-P907 HydrophobicContact CE1-CB 3.5Å; F899-P907 VanDerWaalsContact CE1-CB 3.5Å; F899-P907 HydrophobicContact CE1-CG 3.61Å; F899-P907 HydrophobicContact CE2-CB 3.96Å; F899-P907 HydrophobicContact CG-CB 4.12Å; F899-P907 HydrophobicContact CZ-CB 3.56Å; F899-P907 HydrophobicContact CZ-CG 3.75Å |
| 908 | G | 86.2 | Confident | 81.5 | Confident | 14 Ų | 14 | 50.7 Ų | 50.7 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 157 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E897 A898 | E897-G908 CarbonylContact C-O 3.59Å; E897-G908 WeakPolarHBondContact CA-O 3.41Å; A898-G908 PolarHBondContact N-O 3.46Å; A898-G908 PolarHBondContact O-N 3.2Å |
| 909 | I | 90.9 | Very high | 80.7 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 46% | 0.462 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 139.3 | -177.2 | -45.8 | -178.8 | 0 | 0 | 0 | 111.2 | L895 V896 E897 | L895-I909 HydrophobicContact CD2-CG2 4.17Å; V896-I909 WeakPolarHBondContact O-CA 3.32Å; E897-I909 HydrophobicContact CG-CG1 4.3Å; E897-I909 HydrophobicContact CG-CG2 4.35Å |
| 910 | A | 91.2 | Very high | 80.3 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 163.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F819 S822 Y824 L895 V896 | F819-A910 HydrophobicContact CD2-CB 3.91Å; F819-A910 HydrophobicContact CE2-CB 4.09Å; F819-A910 HydrophobicContact CG-CB 4.26Å; S822-A910 WeakPolarHBondContact O-CA 3.16Å; Y824-A910 HydrophobicContact CE2-CB 4.31Å; L895-A910 WeakPolarHBondContact CA-O 3.43Å; L895-A910 WeakPolarHBondContact CD2-O 3.1Å; V896-A910 HydrophobicContact CG2-CB 3.89Å; V896-A910 PolarHBondContact N-O 3.37Å; V896-A910 PolarHBondContact O-N 3.04Å |
| 911 | T | 91.7 | Very high | 80 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143.6 | -179.8 | 44.8 | 0 | 0 | 0 | 0 | 112.6 | S822 T823 Y824 L895 | S822-T911 PolarHBondContact O-N 2.85Å; S822-T911 PolarHBondContact O-OG1 2.8Å; T823-T911 CarbonylContact C-O 3.42Å; T823-T911 WeakPolarHBondContact CA-O 3.02Å; T823-T911 WeakPolarHBondContact CA-OG1 3.35Å; T823-T911 WeakPolarHBondContact CB-OG1 3.33Å; T823-T911 WeakPolarHBondContact CG2-OG1 3.18Å; T823-T911 PolarHBondContact OG1-OG1 2.81Å; Y824-T911 PolarHBondContact N-O 2.6Å; L895-T911 HydrophobicContact CD2-CG2 3.45Å; L895-T911 VanDerWaalsContact CD2-CG2 3.45Å; L895-T911 HydrophobicContact CG-CG2 4.5Å |
| 912 | V | 91.4 | Very high | 80.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 135.1 | 177.4 | -177 | 0 | 0 | 0 | 0 | 109.9 | Y824 L839 I841 L874 T893 F894 V896 V914 | Y824-V912 HydrophobicContact CD2-CG2 4.44Å; Y824-V912 CarbonylContact O-C 3.48Å; Y824-V912 WeakPolarHBondContact O-CA 3.34Å; L839-V912 HydrophobicContact CD2-CG1 3.91Å; L839-V912 HydrophobicContact CD2-CG2 4.31Å; I841-V912 HydrophobicContact CD1-CG2 4.12Å; L874-V912 HydrophobicContact CD2-CG1 3.93Å; T893-V912 CarbonylContact C-O 3.54Å; T893-V912 WeakPolarHBondContact CA-O 3.5Å; F894-V912 HydrophobicContact CD1-CB 4.39Å; F894-V912 HydrophobicContact CD2-CB 4.25Å; F894-V912 HydrophobicContact CE1-CB 4.11Å; F894-V912 HydrophobicContact CE1-CG1 3.9Å; F894-V912 HydrophobicContact CE2-CB 3.97Å; F894-V912 HydrophobicContact CE2-CG1 4.29Å; F894-V912 HydrophobicContact CE2-CG2 4.27Å; F894-V912 HydrophobicContact CG-CB 4.47Å; F894-V912 HydrophobicContact CZ-CB 3.92Å; F894-V912 HydrophobicContact CZ-CG1 3.75Å; F894-V912 PolarHBondContact N-O 2.78Å; F894-V912 PolarHBondContact O-N 3.3Å; V896-V912 HydrophobicContact CG1-CG2 4.11Å; V896-V912 HydrophobicContact CG2-CG2 4.33Å; V912-V914 HydrophobicContact CG1-CG2 4.43Å |
| 913 | T | 89.7 | Confident | 81.3 | Confident | 30 Ų | 30 | 48.9 Ų | 48.9 | 18% | 0.184 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 130.2 | 175.2 | -50.6 | 0 | 0 | 0 | 0 | 110.1 | Y824 T825 V826 I892 | Y824-T913 PolarHBondContact O-N 2.98Å; T825-T913 CarbonylContact C-O 3.47Å; T825-T913 WeakPolarHBondContact CA-O 3.48Å; T825-T913 HydrophobicContact CG2-CG2 4.37Å; V826-T913 PolarHBondContact N-O 2.9Å; I892-T913 CarbonylContact O-C 3.54Å; I892-T913 WeakPolarHBondContact O-CA 3.37Å |
| 914 | V | 87.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125.3 | 177.7 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | V826 V828 F838 F865 L880 S891 I892 F894 V912 | V826-V914 WeakPolarHBondContact O-CA 3.29Å; V828-V914 HydrophobicContact CB-CG1 3.97Å; V828-V914 HydrophobicContact CG2-CG1 3.69Å; F838-V914 HydrophobicContact CE2-CG2 3.78Å; F838-V914 HydrophobicContact CZ-CG2 4.18Å; F865-V914 HydrophobicContact CE1-CG1 4.46Å; F865-V914 HydrophobicContact CE1-CG2 4.37Å; F865-V914 HydrophobicContact CE2-CG2 4.29Å; F865-V914 HydrophobicContact CZ-CB 4.08Å; F865-V914 HydrophobicContact CZ-CG1 4.03Å; F865-V914 HydrophobicContact CZ-CG2 3.87Å; L880-V914 HydrophobicContact CD1-CG1 4.27Å; S891-V914 CarbonylContact C-O 3.58Å; S891-V914 WeakPolarHBondContact CA-O 3.19Å; I892-V914 PolarHBondContact N-O 2.85Å; I892-V914 PolarHBondContact O-N 3.05Å; F894-V914 HydrophobicContact CE1-CG2 4.15Å; V912-V914 HydrophobicContact CG1-CG2 4.43Å |
| 915 | I | 84.7 | Confident | 83.5 | Confident | 71 Ų | 71 | 46.2 Ų | 46.2 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.4 | 174.3 | -60 | 171.1 | 0 | 0 | 0 | 107.1 | T825 V826 V827 V828 | T825-I915 HydrophobicContact CG2-CD1 4.38Å; V826-I915 PolarHBondContact O-N 3.33Å; V827-I915 WeakPolarHBondContact CA-O 3.5Å; V827-I915 HydrophobicContact CG2-CB 4.34Å; V828-I915 PolarHBondContact N-O 2.82Å |
| 916 | V | 82 | Confident | 84.4 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134.5 | 178.2 | -169 | 0 | 0 | 0 | 0 | 109.2 | V828 E830 L880 Y882 F885 A890 | V828-V916 WeakPolarHBondContact O-CA 3.48Å; E830-V916 HydrophobicContact CB-CG1 4Å; L880-V916 HydrophobicContact CB-CG1 4.34Å; L880-V916 HydrophobicContact CD1-CG2 3.9Å; Y882-V916 HydrophobicContact CD2-CB 4.32Å; Y882-V916 HydrophobicContact CD2-CG1 4.13Å; F885-V916 HydrophobicContact CD2-CG2 4.45Å; F885-V916 HydrophobicContact CE2-CB 4.34Å; F885-V916 HydrophobicContact CE2-CG1 4.42Å; F885-V916 HydrophobicContact CE2-CG2 3.7Å; F885-V916 HydrophobicContact CZ-CG2 3.76Å; A890-V916 PolarHBondContact O-N 3.01Å |
| 917 | K | 75.7 | Confident | 84.8 | Confident | 81 Ų | 81 | 42.9 Ų | 42.9 | 35% | 0.352 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 114.8 | 176.7 | 166.1 | 169 | 168.8 | -78.1 | 0 | 109.9 | V827 V828 E829 E830 M919 | V827-K917 HydrophobicContact CG1-CB 3.94Å; V828-K917 PolarHBondContact O-N 2.88Å; E829-K917 HydrophobicContact CG-CD 4.31Å; E829-K917 IonicContact OE1-NZ 2.7Å; E829-K917 PolarHBondContact OE1-NZ 2.9Å; E830-K917 PolarHBondContact N-O 3.24Å; K917-M919 PolarHBondContact NZ-SD 2.84Å |
| 918 | D | 72.7 | Confident | 84.9 | Confident | 83 Ų | 83 | 46.6 Ų | 46.6 | 44% | 0.444 | 25% | 0.247 | S | C | . | . | trans | -37.9 | 128.1 | 159.7 | 178 | -21.6 | 0 | 0 | 0 | 111.6 | E830 Y882 | E830-D918 WeakPolarHBondContact OE1-CA 3.18Å; Y882-D918 HydrophobicContact CD1-CB 4.24Å; Y882-D918 HydrophobicContact CD2-CB 4.17Å; Y882-D918 HydrophobicContact CE1-CB 4.08Å; Y882-D918 HydrophobicContact CE2-CB 3.99Å; Y882-D918 HydrophobicContact CG-CB 4.3Å | ||
| 919 | M | 70.6 | Confident | 85.1 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 22% | 0.217 | 28% | 0.281 | C | S | . | . | trans | -143.2 | 140.5 | 179.8 | -68.6 | -66.8 | -61.1 | 0 | 0 | 109.8 | E830 K917 D921 P1014 | E830-M919 HydrophobicContact CG-CB 3.85Å; E830-M919 HydrophobicContact CG-CG 3.99Å; E830-M919 PolarHBondContact OE1-N 3.06Å; K917-M919 PolarHBondContact NZ-SD 2.84Å; M919-D921 PolarHBondContact O-N 2.91Å; M919-P1014 VanDerWaalsContact CE-CD 3.48Å | ||
| 920 | N | 77.6 | Confident | 85.1 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | trans | -59.8 | 114.4 | 164.8 | 176.9 | 4.2 | 0 | 0 | 0 | 109.8 | Y922 A960 D1010 P1014 M1016 | N920-Y922 PolarHBondContact OD1-O 3.16Å; N920-A960 HydrophobicContact CB-CB 4.21Å; N920-D1010 PolarHBondContact ND2-OD1 2.82Å; N920-D1010 PolarHBondContact ND2-OD2 2.76Å; N920-P1014 PolarHBondContact ND2-O 3.34Å; N920-M1016 PolarHBondContact OD1-SD 3.41Å; N920-M1016 VanDerWaalsContact OD1-SD 3.42Å | ||
| 921 | D | 74.1 | Confident | 85 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 24% | 0.235 | 28% | 0.284 | C | S | . | . | trans | -125.9 | -11 | 175.8 | 90.8 | -33.5 | 0 | 0 | 0 | 114.6 | N831 M919 P923 M1016 | N831-D921 VanDerWaalsContact ND2-CB 3.35Å; N831-D921 WeakPolarHBondContact ND2-CB 3.46Å; N831-D921 PolarHBondContact ND2-OD2 2.65Å; M919-D921 PolarHBondContact O-N 2.91Å; D921-P923 VanDerWaalsContact O-CD 3.3Å; D921-P923 WeakPolarHBondContact O-CD 3.38Å; D921-M1016 VanDerWaalsContact CA-SD 3.55Å | ||
| 922 | Y | 77.6 | Confident | 84.9 | Confident | 99 Ų | 99 | 61.1 Ų | 61.1 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | trans | -94.8 | 106.8 | 173.2 | -70.4 | -78.5 | 0 | 0 | 0 | 111.5 | N920 A953 | N920-Y922 PolarHBondContact OD1-O 3.16Å; Y922-A953 HydrophobicContact CD1-CB 3.6Å; Y922-A953 HydrophobicContact CD2-CB 4.42Å; Y922-A953 HydrophobicContact CE1-CB 4.26Å; Y922-A953 HydrophobicContact CG-CB 3.72Å | ||
| 923 | P | 85.9 | Confident | 84.7 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 29% | 0.292 | 30% | 0.297 | S | S | . | . | trans | -73.5 | 143.9 | 175.3 | 28.7 | -33.4 | 0 | 0 | 0 | 111.6 | D921 V925 M1016 | D921-P923 VanDerWaalsContact O-CD 3.3Å; D921-P923 WeakPolarHBondContact O-CD 3.38Å; P923-V925 WeakPolarHBondContact O-CG2 3.41Å; P923-V925 PolarHBondContact O-N 3.43Å; P923-M1016 HydrophobicContact CB-CB 3.97Å; P923-M1016 HydrophobicContact CB-CE 4.05Å; P923-M1016 HydrophobicContact CB-SD 4.47Å; P923-M1016 HydrophobicContact CG-CE 4.15Å | ||
| 924 | P | 91.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -52 | 112.7 | 173.1 | -26.4 | 28.2 | 0 | 0 | 0 | 112.7 | A950 D952 V963 A1008 D1010 S1018 | P924-A950 HydrophobicContact CB-CB 4.41Å; P924-D952 WeakPolarHBondContact CA-OD2 3.32Å; P924-D952 WeakPolarHBondContact CD-OD2 3.29Å; P924-D952 WeakPolarHBondContact CG-OD2 3.49Å; P924-V963 HydrophobicContact CB-CG1 4.23Å; P924-V963 HydrophobicContact CB-CG2 4.02Å; P924-V963 HydrophobicContact CG-CG2 4.4Å; P924-A1008 HydrophobicContact CB-CB 3.93Å; P924-D1010 WeakPolarHBondContact CD-OD2 3.47Å; P924-D1010 HydrophobicContact CG-CB 4.04Å; P924-S1018 WeakPolarHBondContact O-CB 3.38Å; P924-S1018 PolarHBondContact O-OG 3.04Å | ||
| 925 | V | 90.9 | Very high | 84.6 | Confident | 94 Ų | 94 | 61.1 Ų | 61.1 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 111.4 | -173.9 | -173 | 0 | 0 | 0 | 0 | 111.1 | P923 S927 A950 E951 | P923-V925 WeakPolarHBondContact O-CG2 3.41Å; P923-V925 PolarHBondContact O-N 3.43Å; V925-S927 PolarHBondContact O-N 3.46Å; V925-A950 WeakPolarHBondContact O-CA 3.25Å; V925-A950 WeakPolarHBondContact O-CB 3.06Å; V925-E951 PolarHBondContact N-O 3.05Å; V925-E951 PolarHBondContact O-N 3.16Å |
| 926 | F | 93.3 | Very high | 84.6 | Confident | 15 Ų | 15 | 57.8 Ų | 57.8 | 7% | 0.066 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 128.1 | 170.2 | -76.7 | -73.1 | 0 | 0 | 0 | 112.1 | K928 Y931 V948 Y949 A950 Y965 V1006 A1008 S1018 A1020 | F926-K928 PolarHBondContact O-N 2.84Å; F926-Y931 HydrophobicContact CB-CE2 4.42Å; F926-Y931 HydrophobicContact CD1-CE2 4.03Å; F926-Y931 HydrophobicContact CG-CE2 4.46Å; F926-V948 HydrophobicContact CD1-CB 4.29Å; F926-V948 HydrophobicContact CE1-CB 3.86Å; F926-V948 HydrophobicContact CE1-CG2 3.93Å; F926-Y949 WeakPolarHBondContact CA-O 3.32Å; F926-A950 HydrophobicContact CB-CB 4.49Å; F926-A950 HydrophobicContact CD1-CB 3.87Å; F926-A950 HydrophobicContact CE1-CB 4.32Å; F926-A950 HydrophobicContact CG-CB 4.1Å; F926-Y965 AromaticContact CE1-CD1 3.92Å; F926-Y965 HydrophobicContact CE1-CD1 3.92Å; F926-Y965 AromaticContact CE1-CE1 3.77Å; F926-Y965 HydrophobicContact CE1-CE1 3.77Å; F926-Y965 HydrophobicContact CZ-CD1 4.23Å; F926-Y965 HydrophobicContact CZ-CE1 4.41Å; F926-V1006 VanDerWaalsContact CE2-O 3.29Å; F926-V1006 WeakPolarHBondContact CE2-O 3.37Å; F926-V1006 HydrophobicContact CZ-CB 4.34Å; F926-V1006 HydrophobicContact CZ-CG1 4.14Å; F926-V1006 WeakPolarHBondContact CZ-O 3.21Å; F926-A1008 HydrophobicContact CD2-CB 4.17Å; F926-A1008 HydrophobicContact CE1-CB 3.95Å; F926-A1008 HydrophobicContact CE2-CB 3.56Å; F926-A1008 HydrophobicContact CZ-CB 3.44Å; F926-A1008 VanDerWaalsContact CZ-CB 3.44Å; F926-S1018 VanDerWaalsContact CD2-OG 3.27Å; F926-S1018 WeakPolarHBondContact CD2-OG 3.37Å; F926-S1018 WeakPolarHBondContact CE2-O 3.35Å; F926-A1020 HydrophobicContact CB-CB 4.01Å; F926-A1020 HydrophobicContact CD1-CB 4.03Å; F926-A1020 HydrophobicContact CD2-CB 3.39Å; F926-A1020 HydrophobicContact CE1-CB 4.3Å; F926-A1020 HydrophobicContact CE2-CB 3.7Å; F926-A1020 VanDerWaalsContact CE2-N 3.34Å; F926-A1020 HydrophobicContact CG-CB 3.56Å; F926-A1020 HydrophobicContact CZ-CB 4.13Å |
| 927 | S | 89 | Confident | 84.9 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -55.4 | -19.7 | 175.6 | 63 | 0 | 0 | 0 | 0 | 114.3 | V925 Y931 Y949 | V925-S927 PolarHBondContact O-N 3.46Å; S927-Y931 PolarHBondContact OG-OH 3.04Å; S927-Y931 VanDerWaalsContact OG-OH 3.04Å; S927-Y949 PolarHBondContact N-O 2.9Å; S927-Y949 PolarHBondContact OG-O 2.67Å; S927-Y949 VanDerWaalsContact OG-O 3.11Å |
| 928 | K | 88.7 | Confident | 85.3 | Confident | 130 Ų | 130 | 57.4 Ų | 57.4 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | trans | -141.9 | 133.5 | 172.4 | -60.6 | 174.2 | -173.7 | 165.2 | 0 | 110.1 | F926 I930 Y931 | F926-K928 PolarHBondContact O-N 2.84Å; K928-I930 VanDerWaalsContact C-N 3.32Å; K928-I930 PolarHBondContact O-N 2.84Å; K928-Y931 HydrophobicContact CB-CD2 4.39Å; K928-Y931 HydrophobicContact CB-CE1 4.18Å; K928-Y931 HydrophobicContact CB-CE2 4.06Å; K928-Y931 HydrophobicContact CD-CD1 4.34Å; K928-Y931 HydrophobicContact CD-CE1 4.19Å; K928-Y931 HydrophobicContact CG-CE1 4.48Å; K928-Y931 WeakPolarHBondContact O-CE2 3.11Å | ||
| 929 | R | 89.3 | Confident | 85.8 | Confident | 226 Ų | 226 | 53.5 Ų | 53.5 | 85% | 0.853 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -68.3 | -30.3 | 172.7 | -70.2 | -173.4 | 174.4 | -161.7 | -2.9 | 113.4 | T1021 | R929-T1021 PolarHBondContact O-N 3.23Å; R929-T1021 VanDerWaalsContact O-N 3.1Å |
| 930 | I | 90.3 | Very high | 86.6 | Confident | 101 Ų | 101 | 54.9 Ų | 54.9 | 52% | 0.518 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 123.4 | 176.8 | -58.8 | 177.6 | 0 | 0 | 0 | 108.7 | K928 T1021 R1023 | K928-I930 VanDerWaalsContact C-N 3.32Å; K928-I930 PolarHBondContact O-N 2.84Å; I930-T1021 CarbonylContact C-O 3.53Å; I930-T1021 VanDerWaalsContact CA-O 3.29Å; I930-T1021 WeakPolarHBondContact CA-O 3.43Å; I930-R1023 HydrophobicContact CG2-CG 4.22Å |
| 931 | Y | 91 | Very high | 87.1 | Confident | 9 Ų | 9 | 61 Ų | 61 | 4% | 0.035 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 142.6 | 169.1 | -67.9 | -97.7 | 0 | 0 | 0 | 109.3 | F926 S927 K928 V948 Y949 A1020 T1021 V1022 R1023 | F926-Y931 HydrophobicContact CB-CE2 4.42Å; F926-Y931 HydrophobicContact CD1-CE2 4.03Å; F926-Y931 HydrophobicContact CG-CE2 4.46Å; S927-Y931 PolarHBondContact OG-OH 3.04Å; S927-Y931 VanDerWaalsContact OG-OH 3.04Å; K928-Y931 HydrophobicContact CB-CD2 4.39Å; K928-Y931 HydrophobicContact CB-CE1 4.18Å; K928-Y931 HydrophobicContact CB-CE2 4.06Å; K928-Y931 HydrophobicContact CD-CD1 4.34Å; K928-Y931 HydrophobicContact CD-CE1 4.19Å; K928-Y931 HydrophobicContact CG-CE1 4.48Å; K928-Y931 WeakPolarHBondContact O-CE2 3.11Å; Y931-V948 HydrophobicContact CD1-CG1 4.18Å; Y931-V948 HydrophobicContact CD2-CB 4.46Å; Y931-V948 HydrophobicContact CD2-CG1 3.76Å; Y931-V948 HydrophobicContact CE1-CB 4.29Å; Y931-V948 HydrophobicContact CE1-CG1 4.27Å; Y931-V948 HydrophobicContact CE2-CB 4.04Å; Y931-V948 HydrophobicContact CE2-CG1 3.85Å; Y931-V948 HydrophobicContact CG-CG1 3.94Å; Y931-Y949 PolarHBondContact OH-N 3.05Å; Y931-Y949 PolarHBondContact OH-O 2.79Å; Y931-A1020 HydrophobicContact CD2-CB 4.08Å; Y931-A1020 HydrophobicContact CE2-CB 3.88Å; Y931-T1021 PolarHBondContact N-O 3.41Å; Y931-V1022 WeakPolarHBondContact O-CA 3.27Å; Y931-R1023 PolarHBondContact O-N 3.23Å |
| 932 | K | 88.7 | Confident | 87.6 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 53% | 0.526 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 139.9 | 165.8 | -67 | -178.6 | 177.9 | -179.9 | 0 | 107.7 | T946 L1119 N1537 | K932-T946 PolarHBondContact O-OG1 3.03Å; K932-L1119 HydrophobicContact CB-CD1 4.39Å; K932-N1537 PolarHBondContact NZ-O 2.93Å |
| 933 | G | 86.5 | Confident | 88 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 154.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | R1023 I1024 L1025 | G933-R1023 PolarHBondContact N-O 3.13Å; G933-I1024 WeakPolarHBondContact O-CA 3.33Å; G933-L1025 PolarHBondContact O-N 2.91Å |
| 934 | M | 86.5 | Confident | 88.1 | Confident | 28 Ų | 28 | 57.6 Ų | 57.6 | 14% | 0.138 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 142.5 | 179.6 | -65 | -179.7 | -54.9 | 0 | 0 | 109 | L1025 L1027 V1114 L1119 V1121 | M934-L1025 WeakPolarHBondContact CA-O 3.22Å; M934-L1025 HydrophobicContact CG-CB 4.37Å; M934-L1027 HydrophobicContact CB-CD2 4.33Å; M934-L1027 HydrophobicContact CB-CG 4.3Å; M934-L1027 HydrophobicContact CG-CD2 4.28Å; M934-L1027 HydrophobicContact SD-CD2 3.99Å; M934-V1114 HydrophobicContact CE-CB 4.06Å; M934-V1114 HydrophobicContact CE-CG1 3.9Å; M934-V1114 HydrophobicContact CE-CG2 3.7Å; M934-L1119 HydrophobicContact CE-CB 3.81Å; M934-L1119 HydrophobicContact CE-CD1 3.74Å; M934-L1119 HydrophobicContact CE-CG 4.41Å; M934-L1119 HydrophobicContact CG-CD1 4.23Å; M934-L1119 HydrophobicContact SD-CD1 4.48Å; M934-V1121 HydrophobicContact CB-CG2 3.53Å; M934-V1121 HydrophobicContact CE-CG2 4.12Å |
| 935 | V | 89.2 | Confident | 87.9 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 145.4 | -176.1 | 73.7 | 0 | 0 | 0 | 0 | 110 | A939 I945 F979 T990 L994 I1024 L1025 V1026 L1027 | V935-A939 HydrophobicContact CG2-CB 3.56Å; V935-I945 HydrophobicContact CB-CD1 4.26Å; V935-I945 HydrophobicContact CB-CG1 4.32Å; V935-I945 HydrophobicContact CG2-CD1 4.05Å; V935-I945 HydrophobicContact CG2-CG1 4.13Å; V935-F979 HydrophobicContact CG1-CE1 4.4Å; V935-F979 HydrophobicContact CG1-CZ 4.26Å; V935-F979 HydrophobicContact CG2-CE1 4.48Å; V935-T990 HydrophobicContact CG2-CG2 3.95Å; V935-L994 HydrophobicContact CB-CD2 4.49Å; V935-L994 HydrophobicContact CG1-CD2 3.75Å; V935-L994 HydrophobicContact CG2-CD2 3.87Å; V935-I1024 HydrophobicContact CB-CG2 4.06Å; V935-I1024 HydrophobicContact CG1-CG2 3.71Å; V935-L1025 PolarHBondContact N-O 3.12Å; V935-V1026 HydrophobicContact CG1-CG2 4.04Å; V935-V1026 WeakPolarHBondContact O-CA 3.42Å; V935-L1027 PolarHBondContact O-N 3.31Å |
| 936 | A | 85.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -75.2 | 146.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | D938 A939 I1032 V1121 | A936-D938 VanDerWaalsContact CB-OD1 3.28Å; A936-D938 WeakPolarHBondContact CB-OD1 3.47Å; A936-D938 PolarHBondContact O-N 3.42Å; A936-A939 HydrophobicContact CB-CB 4.27Å; A936-A939 VanDerWaalsContact O-CB 3.29Å; A936-A939 WeakPolarHBondContact O-CB 3.46Å; A936-A939 PolarHBondContact O-N 3.11Å; A936-A939 VanDerWaalsContact O-N 3.15Å; A936-I1032 HydrophobicContact CB-CD1 3.6Å; A936-V1121 HydrophobicContact CB-CG1 4.21Å | ||
| 937 | P | 87.7 | Confident | 87.6 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 12% | 0.117 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -18.8 | 177 | 26.5 | -32.8 | 0 | 0 | 0 | 112.5 | L994 N995 E996 V1026 L1027 P1029 | P937-L994 CarbonylContact O-C 3.56Å; P937-N995 VanDerWaalsContact O-CA 3.28Å; P937-N995 WeakPolarHBondContact O-CA 3.43Å; P937-N995 PolarHBondContact O-N 2.82Å; P937-E996 WeakPolarHBondContact CB-O 3.45Å; P937-V1026 HydrophobicContact CB-CG1 3.76Å; P937-V1026 HydrophobicContact CG-CG1 4.47Å; P937-L1027 WeakPolarHBondContact CD-O 3.24Å; P937-P1029 HydrophobicContact CG-CG 4.01Å |
| 938 | D | 83.8 | Confident | 87.8 | Confident | 62 Ų | 62 | 54.1 Ų | 54.1 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 11.1 | 177.5 | 77.7 | -38.9 | 0 | 0 | 0 | 114.1 | A936 V940 S1123 | A936-D938 VanDerWaalsContact CB-OD1 3.28Å; A936-D938 WeakPolarHBondContact CB-OD1 3.47Å; A936-D938 PolarHBondContact O-N 3.42Å; D938-V940 PolarHBondContact O-N 3.02Å; D938-S1123 PolarHBondContact OD1-OG 3.04Å; D938-S1123 PolarHBondContact OD2-OG 2.87Å |
| 939 | A | 84.5 | Confident | 88 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 125 | -171 | 0 | 0 | 0 | 0 | 0 | 113 | V935 A936 T943 T990 N993 L994 | V935-A939 HydrophobicContact CG2-CB 3.56Å; A936-A939 HydrophobicContact CB-CB 4.27Å; A936-A939 VanDerWaalsContact O-CB 3.29Å; A936-A939 WeakPolarHBondContact O-CB 3.46Å; A936-A939 PolarHBondContact O-N 3.11Å; A936-A939 VanDerWaalsContact O-N 3.15Å; A939-T943 HydrophobicContact CB-CG2 4.25Å; A939-T990 HydrophobicContact CB-CG2 4.13Å; A939-N993 CarbonylContact O-C 3.51Å; A939-N993 WeakPolarHBondContact O-CA 3.43Å; A939-L994 PolarHBondContact O-N 2.83Å |
| 940 | V | 85.9 | Confident | 88.1 | Confident | 72 Ų | 72 | 43.1 Ų | 43.1 | 44% | 0.436 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -70.6 | 151 | 179.6 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | D938 G942 T943 T990 | D938-V940 PolarHBondContact O-N 3.02Å; V940-G942 PolarHBondContact O-N 2.76Å; V940-T943 PolarHBondContact N-OG1 2.88Å; V940-T943 WeakPolarHBondContact O-CB 3.16Å; V940-T943 PolarHBondContact O-N 2.83Å; V940-T943 PolarHBondContact O-OG1 2.89Å; V940-T990 PolarHBondContact O-OG1 2.91Å |
| 941 | K | 88.3 | Confident | 88 | Confident | 143 Ų | 143 | 43.9 Ų | 43.9 | 62% | 0.622 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 133.7 | 172.6 | -179.9 | -179.6 | 179.9 | -172.6 | 0 | 111.7 | T990 R991 V992 N993 | K941-T990 WeakPolarHBondContact CA-OG1 3.41Å; K941-R991 VanDerWaalsContact CD-O 3.31Å; K941-R991 WeakPolarHBondContact CD-O 3.48Å; K941-R991 VanDerWaalsContact CE-O 3.27Å; K941-R991 WeakPolarHBondContact CE-O 2.96Å; K941-R991 WeakPolarHBondContact CG-O 3.43Å; K941-V992 WeakPolarHBondContact CA-O 3.18Å; K941-V992 PolarHBondContact N-O 2.78Å; K941-N993 PolarHBondContact N-OD1 2.95Å |
| 942 | G | 85.3 | Confident | 87.8 | Confident | 46 Ų | 46 | 45 Ų | 45 | 47% | 0.474 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V940 P944 T990 | V940-G942 PolarHBondContact O-N 2.76Å; G942-P944 WeakPolarHBondContact O-CD 3.36Å; G942-T990 PolarHBondContact N-O 3.2Å; G942-T990 PolarHBondContact N-OG1 2.95Å |
| 943 | T | 85.3 | Confident | 87.5 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | trans | -67.2 | 122.6 | 173.2 | -63.4 | 0 | 0 | 0 | 0 | 109.4 | A939 V940 V989 T990 P1122 | A939-T943 HydrophobicContact CB-CG2 4.25Å; V940-T943 PolarHBondContact N-OG1 2.88Å; V940-T943 WeakPolarHBondContact O-CB 3.16Å; V940-T943 PolarHBondContact O-N 2.83Å; V940-T943 PolarHBondContact O-OG1 2.89Å; T943-V989 WeakPolarHBondContact O-CA 3.25Å; T943-T990 PolarHBondContact N-OG1 2.87Å; T943-T990 PolarHBondContact O-N 2.94Å; T943-P1122 HydrophobicContact CG2-CB 4.06Å; T943-P1122 HydrophobicContact CG2-CG 4.05Å | ||
| 944 | P | 87.8 | Confident | 87.1 | Confident | 53 Ų | 53 | 43.1 Ų | 43.1 | 34% | 0.344 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 139.1 | 175.4 | 31.1 | -34.5 | 0 | 0 | 0 | 111.1 | G942 P1122 | G942-P944 WeakPolarHBondContact O-CD 3.36Å; P944-P1122 HydrophobicContact CG-CG 4.4Å |
| 945 | I | 88.1 | Confident | 86.5 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -44.8 | -174.5 | -62.5 | 173 | 0 | 0 | 0 | 111.3 | V935 F979 V988 T990 I1024 | V935-I945 HydrophobicContact CB-CD1 4.26Å; V935-I945 HydrophobicContact CB-CG1 4.32Å; V935-I945 HydrophobicContact CG2-CD1 4.05Å; V935-I945 HydrophobicContact CG2-CG1 4.13Å; I945-F979 HydrophobicContact CD1-CD1 3.31Å; I945-F979 HydrophobicContact CD1-CE1 3.37Å; I945-F979 HydrophobicContact CD1-CG 4.29Å; I945-F979 HydrophobicContact CD1-CZ 4.37Å; I945-V988 HydrophobicContact CB-CG1 4.46Å; I945-V988 PolarHBondContact N-O 3.3Å; I945-T990 HydrophobicContact CD1-CG2 3.95Å; I945-T990 HydrophobicContact CG1-CG2 4.43Å; I945-I1024 HydrophobicContact CD1-CD1 4.24Å; I945-I1024 HydrophobicContact CD1-CG2 4.33Å; I945-I1024 HydrophobicContact CG2-CD1 4.34Å; I945-I1024 HydrophobicContact CG2-CG1 4.13Å; I945-I1024 HydrophobicContact CG2-CG2 3.95Å |
| 946 | T | 88.4 | Confident | 85.8 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | 175.1 | 178.1 | -163.9 | 0 | 0 | 0 | 0 | 109.3 | K932 V988 V1022 | K932-T946 PolarHBondContact O-OG1 3.03Å; T946-V988 HydrophobicContact CG2-CB 4.03Å; T946-V988 HydrophobicContact CG2-CG2 3.95Å; T946-V988 PolarHBondContact O-N 3.5Å; T946-V1022 HydrophobicContact CG2-CG1 3.66Å |
| 947 | T | 90.3 | Very high | 85.3 | Confident | 79 Ų | 79 | 55 Ų | 55 | 49% | 0.485 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.6 | 172.4 | -56.3 | 0 | 0 | 0 | 0 | 108.9 | G986 R987 | T947-G986 WeakPolarHBondContact CA-O 3.32Å; T947-R987 HydrophobicContact CG2-CG 4.31Å |
| 948 | V | 92.9 | Very high | 84.7 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | trans | -89.4 | 148 | 168.6 | -59.6 | 0 | 0 | 0 | 0 | 109.7 | F926 Y931 Y965 V981 G986 V988 V1006 V1022 | F926-V948 HydrophobicContact CD1-CB 4.29Å; F926-V948 HydrophobicContact CE1-CB 3.86Å; F926-V948 HydrophobicContact CE1-CG2 3.93Å; Y931-V948 HydrophobicContact CD1-CG1 4.18Å; Y931-V948 HydrophobicContact CD2-CB 4.46Å; Y931-V948 HydrophobicContact CD2-CG1 3.76Å; Y931-V948 HydrophobicContact CE1-CB 4.29Å; Y931-V948 HydrophobicContact CE1-CG1 4.27Å; Y931-V948 HydrophobicContact CE2-CB 4.04Å; Y931-V948 HydrophobicContact CE2-CG1 3.85Å; Y931-V948 HydrophobicContact CG-CG1 3.94Å; V948-Y965 HydrophobicContact CG2-CD1 3.79Å; V948-Y965 HydrophobicContact CG2-CE1 4.06Å; V948-Y965 HydrophobicContact CG2-CG 4.27Å; V948-V981 HydrophobicContact CG2-CG2 4.2Å; V948-G986 WeakPolarHBondContact CG2-O 3.47Å; V948-G986 PolarHBondContact N-O 2.78Å; V948-V988 HydrophobicContact CG1-CG2 4.03Å; V948-V1006 HydrophobicContact CG2-CG1 4.08Å; V948-V1022 HydrophobicContact CG1-CG2 3.84Å | ||
| 949 | Y | 92.5 | Very high | 84.7 | Confident | 122 Ų | 122 | 59.4 Ų | 59.4 | 48% | 0.478 | 36% | 0.361 | S | S | . | . | trans | -143.9 | 128.7 | 177.6 | -179 | -121.8 | 0 | 0 | 0 | 110.3 | F926 S927 Y931 E951 | F926-Y949 WeakPolarHBondContact CA-O 3.32Å; S927-Y949 PolarHBondContact N-O 2.9Å; S927-Y949 PolarHBondContact OG-O 2.67Å; S927-Y949 VanDerWaalsContact OG-O 3.11Å; Y931-Y949 PolarHBondContact OH-N 3.05Å; Y931-Y949 PolarHBondContact OH-O 2.79Å; Y949-E951 HydrophobicContact CD1-CG 4.4Å; Y949-E951 HydrophobicContact CE1-CG 3.52Å; Y949-E951 WeakPolarHBondContact CE1-OE1 3.36Å | ||
| 950 | A | 91.7 | Very high | 84.5 | Confident | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.025 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P924 V925 F926 V963 Y965 A1008 | P924-A950 HydrophobicContact CB-CB 4.41Å; V925-A950 WeakPolarHBondContact O-CA 3.25Å; V925-A950 WeakPolarHBondContact O-CB 3.06Å; F926-A950 HydrophobicContact CB-CB 4.49Å; F926-A950 HydrophobicContact CD1-CB 3.87Å; F926-A950 HydrophobicContact CE1-CB 4.32Å; F926-A950 HydrophobicContact CG-CB 4.1Å; A950-V963 HydrophobicContact CB-CG1 4.07Å; A950-Y965 HydrophobicContact CB-CE1 4.19Å; A950-Y965 PolarHBondContact N-OH 3.08Å; A950-A1008 HydrophobicContact CB-CB 3.71Å |
| 951 | E | 89.2 | Confident | 84.4 | Confident | 116 Ų | 116 | 58 Ų | 58 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 138.1 | 172.4 | -70.2 | 173.6 | 172.3 | 0 | 0 | 107.9 | V925 Y949 | V925-E951 PolarHBondContact N-O 3.05Å; V925-E951 PolarHBondContact O-N 3.16Å; Y949-E951 HydrophobicContact CD1-CG 4.4Å; Y949-E951 HydrophobicContact CE1-CG 3.52Å; Y949-E951 WeakPolarHBondContact CE1-OE1 3.36Å |
| 952 | D | 86.4 | Confident | 84.4 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 17% | 0.171 | 35% | 0.349 | C | S | . | . | trans | -98.1 | 149.2 | 164.4 | -146.6 | -66.9 | 0 | 0 | 0 | 109.6 | P924 D954 V963 | P924-D952 WeakPolarHBondContact CA-OD2 3.32Å; P924-D952 WeakPolarHBondContact CD-OD2 3.29Å; P924-D952 WeakPolarHBondContact CG-OD2 3.49Å; D952-D954 WeakPolarHBondContact OD1-CB 3.38Å; D952-D954 PolarHBondContact OD1-N 3.48Å; D952-V963 HydrophobicContact CB-CG2 3.89Å | ||
| 953 | A | 82.8 | Confident | 84.6 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | trans | -102.3 | -8.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y922 | Y922-A953 HydrophobicContact CD1-CB 3.6Å; Y922-A953 HydrophobicContact CD2-CB 4.42Å; Y922-A953 HydrophobicContact CE1-CB 4.26Å; Y922-A953 HydrophobicContact CG-CB 3.72Å | ||
| 954 | D | 77.9 | Confident | 85 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -56.5 | 154 | 172.7 | -81.3 | -18.2 | 0 | 0 | 0 | 113.6 | D952 P956 A960 | D952-D954 WeakPolarHBondContact OD1-CB 3.38Å; D952-D954 PolarHBondContact OD1-N 3.48Å; D954-P956 VanDerWaalsContact O-N 3.15Å; D954-A960 HydrophobicContact CB-CB 4.43Å; D954-A960 VanDerWaalsContact OD2-C 3.27Å; D954-A960 WeakPolarHBondContact OD2-CB 3.41Å |
| 955 | P | 72.6 | Confident | 85.3 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 117.5 | 177.8 | -29.8 | 36.6 | 0 | 0 | 0 | 113.7 | G957 M958 S961 | P955-G957 PolarHBondContact O-N 2.85Å; P955-M958 HydrophobicContact CB-CG 4.39Å; P955-M958 PolarHBondContact O-N 2.92Å; P955-S961 PolarHBondContact O-OG 3.42Å |
| 956 | P | 75.8 | Confident | 85.6 | Confident | 131 Ų | 131 | 61.6 Ų | 61.6 | 85% | 0.851 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 123.7 | -165.9 | 24.5 | -34.6 | 0 | 0 | 0 | 112.7 | D954 | D954-P956 VanDerWaalsContact O-N 3.15Š|
| 957 | G | 73.9 | Confident | 85.8 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 79% | 0.794 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.4 | -10.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P955 S961 | P955-G957 PolarHBondContact O-N 2.85Å; G957-S961 PolarHBondContact N-OG 2.79Å |
| 958 | M | 75.5 | Confident | 85.8 | Confident | 99 Ų | 99 | 58.6 Ų | 58.6 | 49% | 0.488 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -75.3 | 156.8 | 166.1 | -65.2 | -56.4 | -154.3 | 0 | 0 | 111.4 | P955 A960 S961 | P955-M958 HydrophobicContact CB-CG 4.39Å; P955-M958 PolarHBondContact O-N 2.92Å; M958-A960 PolarHBondContact O-N 2.75Å; M958-S961 PolarHBondContact N-OG 3.04Å; M958-S961 PolarHBondContact O-N 2.7Å; M958-S961 PolarHBondContact O-OG 3.41Å |
| 959 | P | 83.6 | Confident | 85.4 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -57.8 | -33.2 | 172.7 | -25.2 | 35.8 | 0 | 0 | 0 | 113.6 | R962 D1011 | P959-R962 WeakPolarHBondContact O-CB 3.44Å; P959-R962 PolarHBondContact O-N 3.32Å; P959-R962 VanDerWaalsContact O-N 3.16Å; P959-D1011 HydrophobicContact CB-CB 4.18Å; P959-D1011 VanDerWaalsContact CB-O 3.22Å; P959-D1011 WeakPolarHBondContact CB-O 3.28Å; P959-D1011 CarbonylContact O-C 3.56Å; P959-D1011 PolarHBondContact O-N 2.9Å |
| 960 | A | 80.4 | Confident | 84.9 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 12% | 0.124 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -43.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N920 D954 M958 R962 D1010 | N920-A960 HydrophobicContact CB-CB 4.21Å; D954-A960 HydrophobicContact CB-CB 4.43Å; D954-A960 VanDerWaalsContact OD2-C 3.27Å; D954-A960 WeakPolarHBondContact OD2-CB 3.41Å; M958-A960 PolarHBondContact O-N 2.75Å; A960-R962 PolarHBondContact O-N 3.1Å; A960-D1010 WeakPolarHBondContact O-CB 3.39Å |
| 961 | S | 83.2 | Confident | 84.4 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 20% | 0.196 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 1.6 | 169.2 | 75.2 | 0 | 0 | 0 | 0 | 117 | P955 G957 M958 | P955-S961 PolarHBondContact O-OG 3.42Å; G957-S961 PolarHBondContact N-OG 2.79Å; M958-S961 PolarHBondContact N-OG 3.04Å; M958-S961 PolarHBondContact O-N 2.7Å; M958-S961 PolarHBondContact O-OG 3.41Å |
| 962 | R | 88 | Confident | 84.3 | Confident | 131 Ų | 131 | 66.9 Ų | 66.9 | 49% | 0.494 | 38% | 0.378 | S | S | . | . | trans | -102.6 | 91.5 | -175.9 | -171.4 | 174.8 | 65.3 | -160.6 | -6.3 | 112.9 | P959 A960 D1011 | P959-R962 WeakPolarHBondContact O-CB 3.44Å; P959-R962 PolarHBondContact O-N 3.32Å; P959-R962 VanDerWaalsContact O-N 3.16Å; A960-R962 PolarHBondContact O-N 3.1Å; R962-D1011 IonicContact CZ-OD2 2.67Å; R962-D1011 IonicContact NE-OD2 2.71Å; R962-D1011 PolarHBondContact NE-OD2 3.19Å; R962-D1011 IonicContact NH2-OD2 3.76Å; R962-D1011 PolarHBondContact NH2-OD2 3.4Å | ||
| 963 | V | 90.7 | Very high | 84.4 | Confident | 28 Ų | 28 | 69.3 Ų | 69.3 | 17% | 0.17 | 40% | 0.396 | C | S | . | . | trans | -65 | 132 | 173.3 | -172.9 | 0 | 0 | 0 | 0 | 112.9 | P924 A950 D952 Y965 A1008 | P924-V963 HydrophobicContact CB-CG1 4.23Å; P924-V963 HydrophobicContact CB-CG2 4.02Å; P924-V963 HydrophobicContact CG-CG2 4.4Å; A950-V963 HydrophobicContact CB-CG1 4.07Å; D952-V963 HydrophobicContact CB-CG2 3.89Å; V963-Y965 HydrophobicContact CG1-CE1 3.92Å; V963-Y965 HydrophobicContact CG1-CE2 4.34Å; V963-A1008 HydrophobicContact CG1-CB 4.02Å | ||
| 964 | R | 92.7 | Very high | 84.8 | Confident | 55 Ų | 55 | 71.8 Ų | 71.8 | 21% | 0.208 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 158.7 | 165.1 | -63.8 | 175.9 | -173.4 | -99 | -5.5 | 111.3 | E983 A1008 F1009 D1011 | R964-E983 HydrophobicContact CB-CG 4.29Å; R964-E983 WeakPolarHBondContact CD-OE1 3.31Å; R964-E983 IonicContact CZ-OE1 2.6Å; R964-E983 IonicContact NE-OE1 3.52Å; R964-E983 IonicContact NH1-OE1 2.65Å; R964-E983 PolarHBondContact NH1-OE1 3.11Å; R964-A1008 WeakPolarHBondContact O-CA 3.45Å; R964-F1009 HydrophobicContact CB-CD1 4.13Å; R964-F1009 HydrophobicContact CB-CD2 4.42Å; R964-F1009 HydrophobicContact CB-CE1 3.61Å; R964-F1009 HydrophobicContact CB-CE2 3.96Å; R964-F1009 HydrophobicContact CB-CZ 3.52Å; R964-F1009 HydrophobicContact CG-CE2 4.4Å; R964-F1009 HydrophobicContact CG-CZ 4.28Å; R964-F1009 PolarHBondContact N-O 3.16Å; R964-F1009 WeakPolarHBondContact O-CD1 3.32Å; R964-F1009 PolarHBondContact O-N 3.31Å; R964-D1011 IonicContact CZ-OD1 2.78Å; R964-D1011 IonicContact CZ-OD2 3.94Å; R964-D1011 VanDerWaalsContact NE-CG 3.34Å; R964-D1011 IonicContact NE-OD1 3.67Å; R964-D1011 PolarHBondContact NE-OD1 3.44Å; R964-D1011 VanDerWaalsContact NE-OD1 3.11Å; R964-D1011 IonicContact NE-OD2 2.69Å; R964-D1011 PolarHBondContact NE-OD2 2.73Å; R964-D1011 IonicContact NH2-OD1 3.47Å; R964-D1011 IonicContact NH2-OD2 2.94Å; R964-D1011 PolarHBondContact NH2-OD2 2.87Å |
| 965 | Y | 94.9 | Very high | 85.4 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 5% | 0.051 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.8 | 177.9 | -53.7 | -77.7 | 0 | 0 | 0 | 113.1 | F926 V948 A950 V963 V981 E983 G986 V1007 A1008 | F926-Y965 AromaticContact CE1-CD1 3.92Å; F926-Y965 HydrophobicContact CE1-CD1 3.92Å; F926-Y965 AromaticContact CE1-CE1 3.77Å; F926-Y965 HydrophobicContact CE1-CE1 3.77Å; F926-Y965 HydrophobicContact CZ-CD1 4.23Å; F926-Y965 HydrophobicContact CZ-CE1 4.41Å; V948-Y965 HydrophobicContact CG2-CD1 3.79Å; V948-Y965 HydrophobicContact CG2-CE1 4.06Å; V948-Y965 HydrophobicContact CG2-CG 4.27Å; A950-Y965 HydrophobicContact CB-CE1 4.19Å; A950-Y965 PolarHBondContact N-OH 3.08Å; V963-Y965 HydrophobicContact CG1-CE1 3.92Å; V963-Y965 HydrophobicContact CG1-CE2 4.34Å; Y965-V981 HydrophobicContact CG-CG2 4.43Å; Y965-E983 WeakPolarHBondContact CD2-O 3.36Å; Y965-E983 PolarHBondContact N-O 3.42Å; Y965-G986 VanDerWaalsContact CD2-CA 3.48Å; Y965-V1007 WeakPolarHBondContact CA-O 3.14Å; Y965-A1008 HydrophobicContact CD1-CB 4.18Å; Y965-A1008 HydrophobicContact CE1-CB 4.09Å |
| 966 | R | 93.5 | Very high | 86.3 | Confident | 112 Ų | 112 | 68.5 Ų | 68.5 | 42% | 0.423 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 156.9 | 169.5 | 65.5 | -179.5 | -178.7 | 77.7 | -0.8 | 112 | V1006 V1007 F1009 | R966-V1006 WeakPolarHBondContact O-CA 3.4Å; R966-V1006 WeakPolarHBondContact O-CG1 3.44Å; R966-V1007 HydrophobicContact CG-CB 4.01Å; R966-V1007 PolarHBondContact N-O 2.86Å; R966-V1007 PolarHBondContact O-N 3.1Å; R966-F1009 HydrophobicContact CB-CE1 3.96Å; R966-F1009 HydrophobicContact CG-CD1 3.94Å; R966-F1009 HydrophobicContact CG-CE1 3.65Å |
| 967 | V | 93.5 | Very high | 87 | Confident | 22 Ų | 22 | 65 Ų | 65 | 13% | 0.133 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 151.3 | 170.1 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | A976 V981 L1004 | V967-A976 HydrophobicContact CB-CB 4.29Å; V967-A976 HydrophobicContact CG2-CB 4.1Å; V967-V981 HydrophobicContact CG1-CG1 4.27Å; V967-L1004 HydrophobicContact CB-CD1 4.24Å; V967-L1004 HydrophobicContact CG1-CD1 3.84Å; V967-L1004 HydrophobicContact CG1-CD2 4.25Å; V967-L1004 HydrophobicContact CG1-CG 4.3Å |
| 968 | D | 89.4 | Confident | 87.8 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 114.7 | 167.2 | 172.1 | 29.8 | 0 | 0 | 0 | 109.8 | V970 Q971 V1005 V1007 | D968-V970 VanDerWaalsContact OD1-CB 3.29Å; D968-V970 WeakPolarHBondContact OD1-CB 3.47Å; D968-V970 WeakPolarHBondContact OD1-CG2 3.2Å; D968-V970 PolarHBondContact OD1-N 3.01Å; D968-Q971 PolarHBondContact OD2-NE2 3.25Å; D968-V1005 HydrophobicContact CB-CB 4.01Å; D968-V1005 HydrophobicContact CB-CG1 3.81Å; D968-V1005 PolarHBondContact N-O 3.25Å; D968-V1007 HydrophobicContact CB-CG2 4Å |
| 969 | D | 85.9 | Confident | 88.7 | Confident | 102 Ų | 102 | 57 Ų | 57 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -8 | 177.9 | 65.7 | -20.8 | 0 | 0 | 0 | 113.3 | P973 A976 | D969-P973 WeakPolarHBondContact O-CA 3.49Å; D969-P973 VanDerWaalsContact O-CB 3.31Å; D969-P973 WeakPolarHBondContact O-CB 3.45Å; D969-P973 VanDerWaalsContact O-CD 3.3Å; D969-P973 WeakPolarHBondContact O-CD 3.49Å; D969-A976 HydrophobicContact CB-CB 3.74Å |
| 970 | V | 82.4 | Confident | 89.2 | Confident | 123 Ų | 123 | 55.7 Ų | 55.7 | 75% | 0.745 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -41.7 | -176.5 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | D968 | D968-V970 VanDerWaalsContact OD1-CB 3.29Å; D968-V970 WeakPolarHBondContact OD1-CB 3.47Å; D968-V970 WeakPolarHBondContact OD1-CG2 3.2Å; D968-V970 PolarHBondContact OD1-N 3.01Å |
| 971 | Q | 80.2 | Confident | 89.9 | Confident | 117 Ų | 117 | 55.5 Ų | 55.5 | 55% | 0.547 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -40.4 | -179.8 | -67.5 | 178.5 | 69.1 | 0 | 0 | 113 | D968 | D968-Q971 PolarHBondContact OD2-NE2 3.25Š|
| 972 | F | 87.1 | Confident | 90.4 | Very high | 75 Ų | 75 | 57.4 Ų | 57.4 | 33% | 0.329 | 28% | 0.283 | S | S | . | . | trans | -139.4 | 71.8 | -172.7 | -62.3 | -75.4 | 0 | 0 | 0 | 111.3 | Y974 P975 A976 K1003 V1005 | F972-Y974 VanDerWaalsContact C-N 3.27Å; F972-Y974 PolarHBondContact O-N 2.95Å; F972-P975 HydrophobicContact CB-CB 4.42Å; F972-P975 HydrophobicContact CB-CG 4Å; F972-P975 WeakPolarHBondContact O-CD 3.43Å; F972-A976 PolarHBondContact O-N 2.96Å; F972-K1003 WeakPolarHBondContact CB-O 3.35Å; F972-K1003 HydrophobicContact CD1-CB 4.44Å; F972-K1003 HydrophobicContact CD2-CB 4.29Å; F972-K1003 HydrophobicContact CE1-CB 4.42Å; F972-K1003 HydrophobicContact CE1-CD 4.32Å; F972-K1003 HydrophobicContact CE2-CB 4.26Å; F972-K1003 HydrophobicContact CG-CB 4.38Å; F972-K1003 WeakPolarHBondContact CG-O 3.43Å; F972-K1003 HydrophobicContact CZ-CB 4.33Å; F972-K1003 HydrophobicContact CZ-CD 4.04Å; F972-V1005 HydrophobicContact CD2-CG2 3.82Å; F972-V1005 HydrophobicContact CE2-CG2 4.13Å | ||
| 973 | P | 88.5 | Confident | 90.6 | Very high | 83 Ų | 83 | 55.6 Ų | 55.6 | 54% | 0.539 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.8 | -28.2 | -173.5 | 22.1 | -32.9 | 0 | 0 | 0 | 113.8 | D969 A976 S977 | D969-P973 WeakPolarHBondContact O-CA 3.49Å; D969-P973 VanDerWaalsContact O-CB 3.31Å; D969-P973 WeakPolarHBondContact O-CB 3.45Å; D969-P973 VanDerWaalsContact O-CD 3.3Å; D969-P973 WeakPolarHBondContact O-CD 3.49Å; P973-A976 PolarHBondContact O-N 3.1Å; P973-S977 WeakPolarHBondContact O-CB 3.49Å; P973-S977 PolarHBondContact O-N 3.37Å; P973-S977 VanDerWaalsContact O-N 3.08Å |
| 974 | Y | 90.6 | Very high | 90.5 | Very high | 121 Ų | 121 | 61 Ų | 61 | 48% | 0.475 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.9 | -55.2 | 179.2 | -170 | -100.6 | 0 | 0 | 0 | 111.7 | F972 A976 S977 I978 E996 F1002 | F972-Y974 VanDerWaalsContact C-N 3.27Å; F972-Y974 PolarHBondContact O-N 2.95Å; Y974-A976 VanDerWaalsContact C-N 3.3Å; Y974-A976 PolarHBondContact O-N 3.42Å; Y974-S977 WeakPolarHBondContact O-CB 3.26Å; Y974-S977 PolarHBondContact O-N 3.08Å; Y974-S977 PolarHBondContact O-OG 2.95Å; Y974-I978 HydrophobicContact CD1-CD1 4.31Å; Y974-I978 HydrophobicContact CE1-CD1 4.05Å; Y974-I978 HydrophobicContact CE1-CG2 4.48Å; Y974-I978 PolarHBondContact O-N 2.92Å; Y974-E996 WeakPolarHBondContact CE1-OE1 3.47Å; Y974-E996 PolarHBondContact OH-OE1 3.23Å; Y974-F1002 HydrophobicContact CD1-CD1 4.42Å; Y974-F1002 AromaticContact CD1-CE1 3.81Å; Y974-F1002 HydrophobicContact CD1-CE1 3.81Å; Y974-F1002 AromaticContact CE1-CE1 3.77Å; Y974-F1002 HydrophobicContact CE1-CE1 3.77Å; Y974-F1002 HydrophobicContact CE1-CZ 4.18Å |
| 975 | P | 91.5 | Very high | 90.3 | Very high | 11 Ų | 11 | 60.7 Ų | 60.7 | 7% | 0.071 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -47.2 | -45 | 167.3 | -32.7 | 37.3 | 0 | 0 | 0 | 115 | F972 S977 I978 F979 F1002 L1004 | F972-P975 HydrophobicContact CB-CB 4.42Å; F972-P975 HydrophobicContact CB-CG 4Å; F972-P975 WeakPolarHBondContact O-CD 3.43Å; P975-S977 PolarHBondContact O-N 2.86Å; P975-I978 WeakPolarHBondContact O-CG1 3.38Å; P975-I978 PolarHBondContact O-N 2.81Å; P975-F979 PolarHBondContact O-N 2.89Å; P975-F1002 HydrophobicContact CB-CB 4.42Å; P975-F1002 HydrophobicContact CG-CB 4.07Å; P975-F1002 HydrophobicContact CG-CD1 4.08Å; P975-F1002 HydrophobicContact CG-CG 4.48Å; P975-L1004 HydrophobicContact CB-CB 4.33Å; P975-L1004 HydrophobicContact CB-CD1 4.1Å |
| 976 | A | 90.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.033 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.8 | -12.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V967 D969 F972 P973 Y974 R991 L1004 | V967-A976 HydrophobicContact CB-CB 4.29Å; V967-A976 HydrophobicContact CG2-CB 4.1Å; D969-A976 HydrophobicContact CB-CB 3.74Å; F972-A976 PolarHBondContact O-N 2.96Å; P973-A976 PolarHBondContact O-N 3.1Å; Y974-A976 VanDerWaalsContact C-N 3.3Å; Y974-A976 PolarHBondContact O-N 3.42Å; A976-R991 PolarHBondContact O-NH1 2.82Å; A976-L1004 HydrophobicContact CB-CD1 4.44Å |
| 977 | S | 90.5 | Very high | 90 | Very high | 58 Ų | 58 | 59.2 Ų | 59.2 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -88.2 | -29.3 | 173.6 | 75.8 | 0 | 0 | 0 | 0 | 113 | P973 Y974 P975 R991 | P973-S977 WeakPolarHBondContact O-CB 3.49Å; P973-S977 PolarHBondContact O-N 3.37Å; P973-S977 VanDerWaalsContact O-N 3.08Å; Y974-S977 WeakPolarHBondContact O-CB 3.26Å; Y974-S977 PolarHBondContact O-N 3.08Å; Y974-S977 PolarHBondContact O-OG 2.95Å; P975-S977 PolarHBondContact O-N 2.86Å; S977-R991 WeakPolarHBondContact O-CD 3.21Å |
| 978 | I | 92.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 58.2 Ų | 58.2 | 5% | 0.046 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -100.1 | -23.9 | -177 | 63.7 | 176.6 | 0 | 0 | 0 | 113.8 | Y974 P975 R991 V992 F1002 | Y974-I978 HydrophobicContact CD1-CD1 4.31Å; Y974-I978 HydrophobicContact CE1-CD1 4.05Å; Y974-I978 HydrophobicContact CE1-CG2 4.48Å; Y974-I978 PolarHBondContact O-N 2.92Å; P975-I978 WeakPolarHBondContact O-CG1 3.38Å; P975-I978 PolarHBondContact O-N 2.81Å; I978-R991 WeakPolarHBondContact O-CB 3.31Å; I978-R991 PolarHBondContact O-N 2.91Å; I978-V992 HydrophobicContact CB-CG2 4.04Å; I978-V992 HydrophobicContact CG2-CG2 4.05Å; I978-F1002 HydrophobicContact CD1-CD1 4.12Å; I978-F1002 HydrophobicContact CD1-CD2 4.03Å; I978-F1002 HydrophobicContact CD1-CE1 3.83Å; I978-F1002 HydrophobicContact CD1-CE2 3.7Å; I978-F1002 HydrophobicContact CD1-CG 4.21Å; I978-F1002 HydrophobicContact CD1-CZ 3.61Å |
| 979 | F | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 159.2 | 175.8 | -52.8 | -61.9 | 0 | 0 | 0 | 112.3 | V935 I945 P975 V989 T990 L994 F1002 L1004 I1024 | V935-F979 HydrophobicContact CG1-CE1 4.4Å; V935-F979 HydrophobicContact CG1-CZ 4.26Å; V935-F979 HydrophobicContact CG2-CE1 4.48Å; I945-F979 HydrophobicContact CD1-CD1 3.31Å; I945-F979 HydrophobicContact CD1-CE1 3.37Å; I945-F979 HydrophobicContact CD1-CG 4.29Å; I945-F979 HydrophobicContact CD1-CZ 4.37Å; P975-F979 PolarHBondContact O-N 2.89Å; F979-V989 CarbonylContact C-O 3.59Å; F979-V989 WeakPolarHBondContact CA-O 3.23Å; F979-T990 HydrophobicContact CD1-CG2 4.28Å; F979-T990 HydrophobicContact CE1-CG2 4.21Å; F979-L994 HydrophobicContact CE1-CD1 4.25Å; F979-L994 HydrophobicContact CE1-CD2 3.97Å; F979-L994 HydrophobicContact CZ-CD2 4.09Å; F979-F1002 HydrophobicContact CE2-CB 3.84Å; F979-F1002 AromaticContact CE2-CD2 3.51Å; F979-F1002 HydrophobicContact CE2-CD2 3.51Å; F979-F1002 HydrophobicContact CE2-CE2 4.25Å; F979-F1002 AromaticContact CE2-CG 3.79Å; F979-F1002 HydrophobicContact CE2-CG 3.79Å; F979-F1002 AromaticContact CZ-CD2 3.69Å; F979-F1002 HydrophobicContact CZ-CD2 3.69Å; F979-F1002 HydrophobicContact CZ-CE2 4.15Å; F979-F1002 HydrophobicContact CZ-CG 4.43Å; F979-L1004 HydrophobicContact CB-CD1 4.23Å; F979-L1004 HydrophobicContact CB-CD2 3.81Å; F979-I1024 HydrophobicContact CB-CD1 4.45Å; F979-I1024 HydrophobicContact CD1-CD1 4.17Å; F979-I1024 HydrophobicContact CD2-CD1 3.51Å; F979-I1024 HydrophobicContact CE1-CD1 4.33Å; F979-I1024 HydrophobicContact CE1-CG2 4.26Å; F979-I1024 HydrophobicContact CE2-CB 4.26Å; F979-I1024 HydrophobicContact CE2-CD1 3.68Å; F979-I1024 HydrophobicContact CE2-CG2 4.17Å; F979-I1024 HydrophobicContact CG-CD1 3.78Å; F979-I1024 HydrophobicContact CZ-CB 4.37Å; F979-I1024 HydrophobicContact CZ-CD1 4.1Å; F979-I1024 HydrophobicContact CZ-CG2 3.77Å |
| 980 | D | 93.9 | Very high | 90.5 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 170.9 | 177.7 | -138.9 | -20 | 0 | 0 | 0 | 111.2 | V988 V989 R991 | D980-V988 WeakPolarHBondContact O-CA 3.25Å; D980-V989 HydrophobicContact CB-CG2 3.99Å; D980-V989 PolarHBondContact N-O 3.27Å; D980-V989 PolarHBondContact O-N 2.97Å; D980-R991 HydrophobicContact CB-CB 4.23Å; D980-R991 VanDerWaalsContact CG-NE 3.29Å; D980-R991 IonicContact OD1-CZ 2.8Å; D980-R991 IonicContact OD1-NE 3.65Å; D980-R991 IonicContact OD1-NH2 3.72Å; D980-R991 PolarHBondContact OD1-NH2 2.96Å; D980-R991 IonicContact OD2-CZ 2.67Å; D980-R991 IonicContact OD2-NE 2.9Å; D980-R991 PolarHBondContact OD2-NE 3.24Å; D980-R991 IonicContact OD2-NH2 3.23Å; D980-R991 PolarHBondContact OD2-NH2 3.17Å |
| 981 | V | 94.8 | Very high | 91 | Very high | 10 Ų | 10 | 52 Ų | 52 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135.4 | 167.6 | 67.5 | 0 | 0 | 0 | 0 | 110.1 | V948 Y965 V967 E983 R987 V988 V1006 | V948-V981 HydrophobicContact CG2-CG2 4.2Å; Y965-V981 HydrophobicContact CG-CG2 4.43Å; V967-V981 HydrophobicContact CG1-CG1 4.27Å; V981-E983 PolarHBondContact O-N 3.32Å; V981-R987 WeakPolarHBondContact CA-O 3.32Å; V981-V988 HydrophobicContact CG2-CG2 4.37Å; V981-V1006 HydrophobicContact CB-CG1 4.43Å; V981-V1006 HydrophobicContact CG1-CG1 4.09Å; V981-V1006 HydrophobicContact CG2-CG1 4.36Å |
| 982 | E | 93.4 | Very high | 91.5 | Very high | 69 Ų | 69 | 49.3 Ų | 49.3 | 32% | 0.322 | 25% | 0.25 | S | C | . | . | trans | -69.2 | 117.9 | 171.4 | -74.8 | 176.9 | -169.8 | 0 | 0 | 109.8 | D984 S985 G986 R987 | E982-D984 PolarHBondContact O-N 2.87Å; E982-S985 WeakPolarHBondContact CB-OG 3.37Å; E982-S985 PolarHBondContact O-N 2.98Å; E982-S985 VanDerWaalsContact O-N 3.16Å; E982-S985 PolarHBondContact OE2-OG 3.17Å; E982-G986 PolarHBondContact O-N 3.18Å; E982-R987 HydrophobicContact CB-CB 4.35Å; E982-R987 HydrophobicContact CG-CB 4.4Å; E982-R987 PolarHBondContact N-O 2.91Å; E982-R987 IonicContact OE1-CZ 2.72Å; E982-R987 IonicContact OE1-NH1 3.37Å; E982-R987 PolarHBondContact OE1-NH1 2.73Å; E982-R987 IonicContact OE1-NH2 3.37Å; E982-R987 IonicContact OE2-CZ 3.71Å; E982-R987 IonicContact OE2-NE 3.04Å; E982-R987 IonicContact OE2-NH1 3.98Å; E982-R987 PolarHBondContact OE2-NH1 3.04Å | ||
| 983 | E | 91.3 | Very high | 91.5 | Very high | 93 Ų | 93 | 51.1 Ų | 51.1 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -43.7 | -165.6 | -170.5 | 179.3 | 165 | 0 | 0 | 114.4 | R964 Y965 V981 | R964-E983 HydrophobicContact CB-CG 4.29Å; R964-E983 WeakPolarHBondContact CD-OE1 3.31Å; R964-E983 IonicContact CZ-OE1 2.6Å; R964-E983 IonicContact NE-OE1 3.52Å; R964-E983 IonicContact NH1-OE1 2.65Å; R964-E983 PolarHBondContact NH1-OE1 3.11Å; Y965-E983 WeakPolarHBondContact CD2-O 3.36Å; Y965-E983 PolarHBondContact N-O 3.42Å; V981-E983 PolarHBondContact O-N 3.32Å |
| 984 | D | 88.8 | Confident | 91.4 | Very high | 142 Ų | 142 | 47.7 Ų | 47.7 | 76% | 0.759 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -26 | 179.4 | -55 | -59.3 | 0 | 0 | 0 | 113.6 | E982 | E982-D984 PolarHBondContact O-N 2.87Š|
| 985 | S | 89.3 | Confident | 91.1 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -14.6 | -166 | 91.7 | 0 | 0 | 0 | 0 | 114.3 | E982 R987 | E982-S985 WeakPolarHBondContact CB-OG 3.37Å; E982-S985 PolarHBondContact O-N 2.98Å; E982-S985 VanDerWaalsContact O-N 3.16Å; E982-S985 PolarHBondContact OE2-OG 3.17Å; S985-R987 PolarHBondContact O-N 3.44Å; S985-R987 VanDerWaalsContact O-N 3.15Å; S985-R987 WeakPolarHBondContact OG-CB 3.46Å; S985-R987 WeakPolarHBondContact OG-CD 3.39Å; S985-R987 WeakPolarHBondContact OG-CG 3.33Å; S985-R987 PolarHBondContact OG-N 3.34Å |
| 986 | G | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | 67.5 | 6.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T947 V948 Y965 E982 V988 | T947-G986 WeakPolarHBondContact CA-O 3.32Å; V948-G986 WeakPolarHBondContact CG2-O 3.47Å; V948-G986 PolarHBondContact N-O 2.78Å; Y965-G986 VanDerWaalsContact CD2-CA 3.48Å; E982-G986 PolarHBondContact O-N 3.18Å; G986-V988 PolarHBondContact O-N 2.89Å | ||
| 987 | R | 91.9 | Very high | 90.6 | Very high | 94 Ų | 94 | 57.5 Ų | 57.5 | 36% | 0.355 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 119.3 | 179.6 | -69 | 171.1 | 60.9 | -122.3 | -5.5 | 110.4 | T947 V981 E982 S985 | T947-R987 HydrophobicContact CG2-CG 4.31Å; V981-R987 WeakPolarHBondContact CA-O 3.32Å; E982-R987 HydrophobicContact CB-CB 4.35Å; E982-R987 HydrophobicContact CG-CB 4.4Å; E982-R987 PolarHBondContact N-O 2.91Å; E982-R987 IonicContact OE1-CZ 2.72Å; E982-R987 IonicContact OE1-NH1 3.37Å; E982-R987 PolarHBondContact OE1-NH1 2.73Å; E982-R987 IonicContact OE1-NH2 3.37Å; E982-R987 IonicContact OE2-CZ 3.71Å; E982-R987 IonicContact OE2-NE 3.04Å; E982-R987 IonicContact OE2-NH1 3.98Å; E982-R987 PolarHBondContact OE2-NH1 3.04Å; S985-R987 PolarHBondContact O-N 3.44Å; S985-R987 VanDerWaalsContact O-N 3.15Å; S985-R987 WeakPolarHBondContact OG-CB 3.46Å; S985-R987 WeakPolarHBondContact OG-CD 3.39Å; S985-R987 WeakPolarHBondContact OG-CG 3.33Å; S985-R987 PolarHBondContact OG-N 3.34Å |
| 988 | V | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 124.9 | 176 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | I945 T946 V948 D980 V981 G986 L1004 V1022 I1024 | I945-V988 HydrophobicContact CB-CG1 4.46Å; I945-V988 PolarHBondContact N-O 3.3Å; T946-V988 HydrophobicContact CG2-CB 4.03Å; T946-V988 HydrophobicContact CG2-CG2 3.95Å; T946-V988 PolarHBondContact O-N 3.5Å; V948-V988 HydrophobicContact CG1-CG2 4.03Å; D980-V988 WeakPolarHBondContact O-CA 3.25Å; V981-V988 HydrophobicContact CG2-CG2 4.37Å; G986-V988 PolarHBondContact O-N 2.89Å; V988-L1004 HydrophobicContact CG1-CD2 3.73Å; V988-V1022 HydrophobicContact CG2-CG2 4.33Å; V988-I1024 HydrophobicContact CG1-CD1 4.22Å |
| 989 | V | 93 | Very high | 89.6 | Confident | 16 Ų | 16 | 61.3 Ų | 61.3 | 10% | 0.097 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 159.4 | -171.6 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | T943 F979 D980 R991 | T943-V989 WeakPolarHBondContact O-CA 3.25Å; F979-V989 CarbonylContact C-O 3.59Å; F979-V989 WeakPolarHBondContact CA-O 3.23Å; D980-V989 HydrophobicContact CB-CG2 3.99Å; D980-V989 PolarHBondContact N-O 3.27Å; D980-V989 PolarHBondContact O-N 2.97Å; V989-R991 PolarHBondContact O-N 2.8Å |
| 990 | T | 92.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 122 | 170.8 | 56 | 0 | 0 | 0 | 0 | 111.1 | V935 A939 V940 K941 G942 T943 I945 F979 V992 L994 | V935-T990 HydrophobicContact CG2-CG2 3.95Å; A939-T990 HydrophobicContact CB-CG2 4.13Å; V940-T990 PolarHBondContact O-OG1 2.91Å; K941-T990 WeakPolarHBondContact CA-OG1 3.41Å; G942-T990 PolarHBondContact N-O 3.2Å; G942-T990 PolarHBondContact N-OG1 2.95Å; T943-T990 PolarHBondContact N-OG1 2.87Å; T943-T990 PolarHBondContact O-N 2.94Å; I945-T990 HydrophobicContact CD1-CG2 3.95Å; I945-T990 HydrophobicContact CG1-CG2 4.43Å; F979-T990 HydrophobicContact CD1-CG2 4.28Å; F979-T990 HydrophobicContact CE1-CG2 4.21Å; T990-V992 WeakPolarHBondContact CB-O 3.33Å; T990-L994 HydrophobicContact CG2-CD1 3.54Å |
| 991 | R | 91.5 | Very high | 89.2 | Confident | 95 Ų | 95 | 64.8 Ų | 64.8 | 36% | 0.358 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -76.9 | -26.6 | 178 | -173.2 | 174.2 | -96.5 | -179.2 | -8.5 | 112 | K941 A976 S977 I978 D980 V989 | K941-R991 VanDerWaalsContact CD-O 3.31Å; K941-R991 WeakPolarHBondContact CD-O 3.48Å; K941-R991 VanDerWaalsContact CE-O 3.27Å; K941-R991 WeakPolarHBondContact CE-O 2.96Å; K941-R991 WeakPolarHBondContact CG-O 3.43Å; A976-R991 PolarHBondContact O-NH1 2.82Å; S977-R991 WeakPolarHBondContact O-CD 3.21Å; I978-R991 WeakPolarHBondContact O-CB 3.31Å; I978-R991 PolarHBondContact O-N 2.91Å; D980-R991 HydrophobicContact CB-CB 4.23Å; D980-R991 VanDerWaalsContact CG-NE 3.29Å; D980-R991 IonicContact OD1-CZ 2.8Å; D980-R991 IonicContact OD1-NE 3.65Å; D980-R991 IonicContact OD1-NH2 3.72Å; D980-R991 PolarHBondContact OD1-NH2 2.96Å; D980-R991 IonicContact OD2-CZ 2.67Å; D980-R991 IonicContact OD2-NE 2.9Å; D980-R991 PolarHBondContact OD2-NE 3.24Å; D980-R991 IonicContact OD2-NH2 3.23Å; D980-R991 PolarHBondContact OD2-NH2 3.17Å; V989-R991 PolarHBondContact O-N 2.8Å |
| 992 | V | 91.4 | Very high | 89 | Confident | 60 Ų | 60 | 65 Ų | 65 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -129 | 174.5 | -179.9 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | K941 I978 T990 L994 | K941-V992 WeakPolarHBondContact CA-O 3.18Å; K941-V992 PolarHBondContact N-O 2.78Å; I978-V992 HydrophobicContact CB-CG2 4.04Å; I978-V992 HydrophobicContact CG2-CG2 4.05Å; T990-V992 WeakPolarHBondContact CB-O 3.33Å; V992-L994 HydrophobicContact CG2-CD1 4.39Å |
| 993 | N | 87.7 | Confident | 89 | Confident | 113 Ų | 113 | 65.5 Ų | 65.5 | 60% | 0.604 | 34% | 0.336 | S | S | * | . | trans | -76.9 | 128.2 | 161.2 | -60.3 | -19 | 0 | 0 | 0 | 108 | A939 K941 | A939-N993 CarbonylContact O-C 3.51Å; A939-N993 WeakPolarHBondContact O-CA 3.43Å; K941-N993 PolarHBondContact N-OD1 2.95Å | ||
| 994 | L | 84.9 | Confident | 89.1 | Confident | 11 Ų | 11 | 61.1 Ų | 61.1 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | trans | -77.2 | 155.6 | 178.4 | -87 | 69.6 | 0 | 0 | 0 | 111.9 | V935 P937 A939 F979 T990 V992 E996 | V935-L994 HydrophobicContact CB-CD2 4.49Å; V935-L994 HydrophobicContact CG1-CD2 3.75Å; V935-L994 HydrophobicContact CG2-CD2 3.87Å; P937-L994 CarbonylContact O-C 3.56Å; A939-L994 PolarHBondContact O-N 2.83Å; F979-L994 HydrophobicContact CE1-CD1 4.25Å; F979-L994 HydrophobicContact CE1-CD2 3.97Å; F979-L994 HydrophobicContact CZ-CD2 4.09Å; T990-L994 HydrophobicContact CG2-CD1 3.54Å; V992-L994 HydrophobicContact CG2-CD1 4.39Å; L994-E996 HydrophobicContact CB-CG 4.4Å; L994-E996 HydrophobicContact CD2-CG 4.15Å; L994-E996 HydrophobicContact CG-CG 4.14Å | ||
| 995 | N | 85.5 | Confident | 89.4 | Confident | 153 Ų | 153 | 54.6 Ų | 54.6 | 82% | 0.818 | 28% | 0.281 | S | S | * | . | trans | -156.3 | 65.9 | 166.8 | 179.1 | 73.9 | 0 | 0 | 0 | 107.3 | P937 | P937-N995 VanDerWaalsContact O-CA 3.28Å; P937-N995 WeakPolarHBondContact O-CA 3.43Å; P937-N995 PolarHBondContact O-N 2.82Å | ||
| 996 | E | 86.3 | Confident | 89.6 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | trans | -110.5 | 154.4 | -168.6 | -65 | -66.5 | 168.3 | 0 | 0 | 111.8 | P937 Y974 L994 F1002 V1026 | P937-E996 WeakPolarHBondContact CB-O 3.45Å; Y974-E996 WeakPolarHBondContact CE1-OE1 3.47Å; Y974-E996 PolarHBondContact OH-OE1 3.23Å; L994-E996 HydrophobicContact CB-CG 4.4Å; L994-E996 HydrophobicContact CD2-CG 4.15Å; L994-E996 HydrophobicContact CG-CG 4.14Å; E996-F1002 HydrophobicContact CB-CE2 4.32Å; E996-F1002 HydrophobicContact CB-CZ 4.25Å; E996-F1002 HydrophobicContact CG-CE2 4.01Å; E996-F1002 HydrophobicContact CG-CZ 3.82Å; E996-V1026 HydrophobicContact CB-CG1 4.35Å; E996-V1026 HydrophobicContact CB-CG2 4.03Å | ||
| 997 | E | 83.6 | Confident | 89.8 | Confident | 153 Ų | 153 | 52.5 Ų | 52.5 | 72% | 0.715 | 27% | 0.266 | S | S | * | . | trans | -71.9 | 134.7 | -179.6 | -67 | -172.6 | 173 | 0 | 0 | 111.6 | T1000 | E997-T1000 WeakPolarHBondContact O-CB 3.3Å; E997-T1000 PolarHBondContact O-N 3.43Å; E997-T1000 PolarHBondContact O-OG1 3.44Å | ||
| 998 | P | 81.8 | Confident | 89.9 | Confident | 43 Ų | 43 | 48 Ų | 48 | 28% | 0.279 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 151.7 | 173.8 | -32.3 | 39.3 | 0 | 0 | 0 | 114.3 | T1000 H1028 | P998-T1000 PolarHBondContact O-N 2.96Å; P998-H1028 HydrophobicContact CB-CB 4.23Å; P998-H1028 WeakPolarHBondContact CB-ND1 3.42Å |
| 999 | T | 81.8 | Confident | 89.9 | Confident | 103 Ų | 103 | 49.9 Ų | 49.9 | 63% | 0.632 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | -0.7 | -175.9 | 74.8 | 0 | 0 | 0 | 0 | 115.6 | I1001 V1026 | T999-I1001 PolarHBondContact O-N 3.14Å; T999-V1026 WeakPolarHBondContact CA-O 3.25Å; T999-V1026 PolarHBondContact N-O 3.37Å |
| 1000 | T | 87.8 | Confident | 89.7 | Confident | 42 Ų | 42 | 49.1 Ų | 49.1 | 26% | 0.258 | 25% | 0.253 | S | S | . | . | trans | -61.4 | 128.7 | 173 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | E997 P998 F1002 V1026 | E997-T1000 WeakPolarHBondContact O-CB 3.3Å; E997-T1000 PolarHBondContact O-N 3.43Å; E997-T1000 PolarHBondContact O-OG1 3.44Å; P998-T1000 PolarHBondContact O-N 2.96Å; T1000-F1002 HydrophobicContact CG2-CD1 4.06Å; T1000-F1002 HydrophobicContact CG2-CD2 4.28Å; T1000-F1002 HydrophobicContact CG2-CE1 3.59Å; T1000-F1002 HydrophobicContact CG2-CE2 3.86Å; T1000-F1002 HydrophobicContact CG2-CG 4.38Å; T1000-F1002 HydrophobicContact CG2-CZ 3.49Å; T1000-F1002 VanDerWaalsContact CG2-CZ 3.49Å; T1000-V1026 PolarHBondContact O-N 2.98Å | ||
| 1001 | I | 91.1 | Very high | 89.4 | Confident | 77 Ų | 77 | 51.5 Ų | 51.5 | 40% | 0.395 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 99.7 | 176.3 | -56.8 | 179.5 | 0 | 0 | 0 | 109.4 | T999 R1023 I1024 L1025 | T999-I1001 PolarHBondContact O-N 3.14Å; I1001-R1023 HydrophobicContact CG2-CB 4.25Å; I1001-R1023 HydrophobicContact CG2-CG 4.44Å; I1001-I1024 CarbonylContact C-O 3.52Å; I1001-I1024 WeakPolarHBondContact CA-O 3.44Å; I1001-L1025 HydrophobicContact CD1-CD1 4.44Å; I1001-L1025 HydrophobicContact CG1-CD1 3.78Å |
| 1002 | F | 92.2 | Very high | 88.9 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 146.8 | 171.2 | -61 | -64.1 | 0 | 0 | 0 | 111.2 | Y974 P975 I978 F979 E996 T1000 R1023 I1024 V1026 | Y974-F1002 HydrophobicContact CD1-CD1 4.42Å; Y974-F1002 AromaticContact CD1-CE1 3.81Å; Y974-F1002 HydrophobicContact CD1-CE1 3.81Å; Y974-F1002 AromaticContact CE1-CE1 3.77Å; Y974-F1002 HydrophobicContact CE1-CE1 3.77Å; Y974-F1002 HydrophobicContact CE1-CZ 4.18Å; P975-F1002 HydrophobicContact CB-CB 4.42Å; P975-F1002 HydrophobicContact CG-CB 4.07Å; P975-F1002 HydrophobicContact CG-CD1 4.08Å; P975-F1002 HydrophobicContact CG-CG 4.48Å; I978-F1002 HydrophobicContact CD1-CD1 4.12Å; I978-F1002 HydrophobicContact CD1-CD2 4.03Å; I978-F1002 HydrophobicContact CD1-CE1 3.83Å; I978-F1002 HydrophobicContact CD1-CE2 3.7Å; I978-F1002 HydrophobicContact CD1-CG 4.21Å; I978-F1002 HydrophobicContact CD1-CZ 3.61Å; F979-F1002 HydrophobicContact CE2-CB 3.84Å; F979-F1002 AromaticContact CE2-CD2 3.51Å; F979-F1002 HydrophobicContact CE2-CD2 3.51Å; F979-F1002 HydrophobicContact CE2-CE2 4.25Å; F979-F1002 AromaticContact CE2-CG 3.79Å; F979-F1002 HydrophobicContact CE2-CG 3.79Å; F979-F1002 AromaticContact CZ-CD2 3.69Å; F979-F1002 HydrophobicContact CZ-CD2 3.69Å; F979-F1002 HydrophobicContact CZ-CE2 4.15Å; F979-F1002 HydrophobicContact CZ-CG 4.43Å; E996-F1002 HydrophobicContact CB-CE2 4.32Å; E996-F1002 HydrophobicContact CB-CZ 4.25Å; E996-F1002 HydrophobicContact CG-CE2 4.01Å; E996-F1002 HydrophobicContact CG-CZ 3.82Å; T1000-F1002 HydrophobicContact CG2-CD1 4.06Å; T1000-F1002 HydrophobicContact CG2-CD2 4.28Å; T1000-F1002 HydrophobicContact CG2-CE1 3.59Å; T1000-F1002 HydrophobicContact CG2-CE2 3.86Å; T1000-F1002 HydrophobicContact CG2-CG 4.38Å; T1000-F1002 HydrophobicContact CG2-CZ 3.49Å; T1000-F1002 VanDerWaalsContact CG2-CZ 3.49Å; F1002-R1023 WeakPolarHBondContact O-CA 3.42Å; F1002-I1024 HydrophobicContact CB-CB 4.33Å; F1002-I1024 PolarHBondContact N-O 2.88Å; F1002-I1024 PolarHBondContact O-N 3.48Å; F1002-V1026 HydrophobicContact CD2-CG2 4.03Å; F1002-V1026 HydrophobicContact CE2-CG2 3.49Å; F1002-V1026 VanDerWaalsContact CE2-CG2 3.49Å; F1002-V1026 HydrophobicContact CZ-CG2 4.43Å |
| 1003 | K | 92.8 | Very high | 88.3 | Confident | 80 Ų | 80 | 52.8 Ų | 52.8 | 35% | 0.348 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 94.4 | 170.8 | -66.3 | 179.7 | -177.2 | 177.7 | 0 | 107.9 | F972 T1021 | F972-K1003 WeakPolarHBondContact CB-O 3.35Å; F972-K1003 HydrophobicContact CD1-CB 4.44Å; F972-K1003 HydrophobicContact CD2-CB 4.29Å; F972-K1003 HydrophobicContact CE1-CB 4.42Å; F972-K1003 HydrophobicContact CE1-CD 4.32Å; F972-K1003 HydrophobicContact CE2-CB 4.26Å; F972-K1003 HydrophobicContact CG-CB 4.38Å; F972-K1003 WeakPolarHBondContact CG-O 3.43Å; F972-K1003 HydrophobicContact CZ-CB 4.33Å; F972-K1003 HydrophobicContact CZ-CD 4.04Å; K1003-T1021 HydrophobicContact CB-CG2 4.04Å; K1003-T1021 HydrophobicContact CG-CG2 4.28Å |
| 1004 | L | 94 | Very high | 88 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119 | 171.1 | -176.4 | 70.7 | 0 | 0 | 0 | 107.8 | V967 P975 A976 F979 V988 V1006 V1022 I1024 | V967-L1004 HydrophobicContact CB-CD1 4.24Å; V967-L1004 HydrophobicContact CG1-CD1 3.84Å; V967-L1004 HydrophobicContact CG1-CD2 4.25Å; V967-L1004 HydrophobicContact CG1-CG 4.3Å; P975-L1004 HydrophobicContact CB-CB 4.33Å; P975-L1004 HydrophobicContact CB-CD1 4.1Å; A976-L1004 HydrophobicContact CB-CD1 4.44Å; F979-L1004 HydrophobicContact CB-CD1 4.23Å; F979-L1004 HydrophobicContact CB-CD2 3.81Å; V988-L1004 HydrophobicContact CG1-CD2 3.73Å; L1004-V1006 HydrophobicContact CD2-CG2 3.99Å; L1004-V1006 HydrophobicContact CG-CG2 4.1Å; L1004-V1022 HydrophobicContact CB-CB 4.28Å; L1004-V1022 PolarHBondContact N-O 3.24Å; L1004-V1022 PolarHBondContact O-N 2.8Å; L1004-I1024 HydrophobicContact CB-CD1 4.09Å; L1004-I1024 HydrophobicContact CD2-CD1 4.2Å |
| 1005 | V | 94 | Very high | 88.1 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.03 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.2 | 170.5 | 175.7 | 0 | 0 | 0 | 0 | 107.5 | D968 F972 | D968-V1005 HydrophobicContact CB-CB 4.01Å; D968-V1005 HydrophobicContact CB-CG1 3.81Å; D968-V1005 PolarHBondContact N-O 3.25Å; F972-V1005 HydrophobicContact CD2-CG2 3.82Å; F972-V1005 HydrophobicContact CE2-CG2 4.13Å |
| 1006 | V | 94.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.6 | 174.8 | -174.8 | 0 | 0 | 0 | 0 | 107.8 | F926 V948 R966 V981 L1004 S1019 A1020 V1022 | F926-V1006 VanDerWaalsContact CE2-O 3.29Å; F926-V1006 WeakPolarHBondContact CE2-O 3.37Å; F926-V1006 HydrophobicContact CZ-CB 4.34Å; F926-V1006 HydrophobicContact CZ-CG1 4.14Å; F926-V1006 WeakPolarHBondContact CZ-O 3.21Å; V948-V1006 HydrophobicContact CG2-CG1 4.08Å; R966-V1006 WeakPolarHBondContact O-CA 3.4Å; R966-V1006 WeakPolarHBondContact O-CG1 3.44Å; V981-V1006 HydrophobicContact CB-CG1 4.43Å; V981-V1006 HydrophobicContact CG1-CG1 4.09Å; V981-V1006 HydrophobicContact CG2-CG1 4.36Å; L1004-V1006 HydrophobicContact CD2-CG2 3.99Å; L1004-V1006 HydrophobicContact CG-CG2 4.1Å; V1006-S1019 WeakPolarHBondContact O-CA 3.46Å; V1006-A1020 PolarHBondContact N-O 3.37Å; V1006-A1020 PolarHBondContact O-N 3.48Å; V1006-V1022 HydrophobicContact CG2-CG2 3.88Å |
| 1007 | V | 94 | Very high | 88.4 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.03 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.3 | 177.2 | -175 | 0 | 0 | 0 | 0 | 108.1 | Y965 R966 D968 S1018 | Y965-V1007 WeakPolarHBondContact CA-O 3.14Å; R966-V1007 HydrophobicContact CG-CB 4.01Å; R966-V1007 PolarHBondContact N-O 2.86Å; R966-V1007 PolarHBondContact O-N 3.1Å; D968-V1007 HydrophobicContact CB-CG2 4Å; V1007-S1018 WeakPolarHBondContact CA-O 3.11Å |
| 1008 | A | 94.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | P924 F926 A950 V963 R964 Y965 S1017 S1018 | P924-A1008 HydrophobicContact CB-CB 3.93Å; F926-A1008 HydrophobicContact CD2-CB 4.17Å; F926-A1008 HydrophobicContact CE1-CB 3.95Å; F926-A1008 HydrophobicContact CE2-CB 3.56Å; F926-A1008 HydrophobicContact CZ-CB 3.44Å; F926-A1008 VanDerWaalsContact CZ-CB 3.44Å; A950-A1008 HydrophobicContact CB-CB 3.71Å; V963-A1008 HydrophobicContact CG1-CB 4.02Å; R964-A1008 WeakPolarHBondContact O-CA 3.45Å; Y965-A1008 HydrophobicContact CD1-CB 4.18Å; Y965-A1008 HydrophobicContact CE1-CB 4.09Å; A1008-S1017 CarbonylContact O-C 3.52Å; A1008-S1017 WeakPolarHBondContact O-CA 3.44Å; A1008-S1017 WeakPolarHBondContact O-CB 3.31Å; A1008-S1018 PolarHBondContact N-O 2.92Å; A1008-S1018 PolarHBondContact O-N 2.82Å |
| 1009 | F | 93.1 | Very high | 89.3 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 17% | 0.171 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 147.5 | -179.6 | 65.7 | -77.4 | 0 | 0 | 0 | 109.9 | R964 R966 V1015 M1016 | R964-F1009 HydrophobicContact CB-CD1 4.13Å; R964-F1009 HydrophobicContact CB-CD2 4.42Å; R964-F1009 HydrophobicContact CB-CE1 3.61Å; R964-F1009 HydrophobicContact CB-CE2 3.96Å; R964-F1009 HydrophobicContact CB-CZ 3.52Å; R964-F1009 HydrophobicContact CG-CE2 4.4Å; R964-F1009 HydrophobicContact CG-CZ 4.28Å; R964-F1009 PolarHBondContact N-O 3.16Å; R964-F1009 WeakPolarHBondContact O-CD1 3.32Å; R964-F1009 PolarHBondContact O-N 3.31Å; R966-F1009 HydrophobicContact CB-CE1 3.96Å; R966-F1009 HydrophobicContact CG-CD1 3.94Å; R966-F1009 HydrophobicContact CG-CE1 3.65Å; F1009-V1015 HydrophobicContact CB-CG1 4.22Å; F1009-V1015 HydrophobicContact CD2-CG1 4.44Å; F1009-M1016 WeakPolarHBondContact CA-O 3.43Å |
| 1010 | D | 90.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -86.7 | -178.8 | 175 | 55.1 | 73.1 | 0 | 0 | 0 | 112.4 | N920 P924 A960 G1012 V1015 M1016 | N920-D1010 PolarHBondContact ND2-OD1 2.82Å; N920-D1010 PolarHBondContact ND2-OD2 2.76Å; P924-D1010 WeakPolarHBondContact CD-OD2 3.47Å; P924-D1010 HydrophobicContact CG-CB 4.04Å; A960-D1010 WeakPolarHBondContact O-CB 3.39Å; D1010-G1012 WeakPolarHBondContact OD1-CA 3.5Å; D1010-G1012 PolarHBondContact OD1-N 3.28Å; D1010-V1015 VanDerWaalsContact OD1-CA 3.3Å; D1010-V1015 WeakPolarHBondContact OD1-CA 3.45Å; D1010-M1016 PolarHBondContact N-O 2.92Å; D1010-M1016 PolarHBondContact OD1-N 3.43Å; D1010-M1016 WeakPolarHBondContact OD2-CA 3.28Å; D1010-M1016 VanDerWaalsContact OD2-CB 3.22Å; D1010-M1016 WeakPolarHBondContact OD2-CB 3.39Å; D1010-M1016 PolarHBondContact OD2-N 2.82Å | ||
| 1011 | D | 86.4 | Confident | 90 | Very high | 51 Ų | 51 | 41.9 Ų | 41.9 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -111.4 | 34.5 | 165.5 | -67.9 | -69.5 | 0 | 0 | 0 | 111.7 | P959 R962 R964 | P959-D1011 HydrophobicContact CB-CB 4.18Å; P959-D1011 VanDerWaalsContact CB-O 3.22Å; P959-D1011 WeakPolarHBondContact CB-O 3.28Å; P959-D1011 CarbonylContact O-C 3.56Å; P959-D1011 PolarHBondContact O-N 2.9Å; R962-D1011 IonicContact CZ-OD2 2.67Å; R962-D1011 IonicContact NE-OD2 2.71Å; R962-D1011 PolarHBondContact NE-OD2 3.19Å; R962-D1011 IonicContact NH2-OD2 3.76Å; R962-D1011 PolarHBondContact NH2-OD2 3.4Å; R964-D1011 IonicContact CZ-OD1 2.78Å; R964-D1011 IonicContact CZ-OD2 3.94Å; R964-D1011 VanDerWaalsContact NE-CG 3.34Å; R964-D1011 IonicContact NE-OD1 3.67Å; R964-D1011 PolarHBondContact NE-OD1 3.44Å; R964-D1011 VanDerWaalsContact NE-OD1 3.11Å; R964-D1011 IonicContact NE-OD2 2.69Å; R964-D1011 PolarHBondContact NE-OD2 2.73Å; R964-D1011 IonicContact NH2-OD1 3.47Å; R964-D1011 IonicContact NH2-OD2 2.94Å; R964-D1011 PolarHBondContact NH2-OD2 2.87Å |
| 1012 | G | 80.3 | Confident | 90.1 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -87.4 | 178.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D1010 P1014 V1015 | D1010-G1012 WeakPolarHBondContact OD1-CA 3.5Å; D1010-G1012 PolarHBondContact OD1-N 3.28Å; G1012-P1014 CarbonylContact C-O 3.54Å; G1012-P1014 CarbonylContact O-C 3.56Å; G1012-V1015 WeakPolarHBondContact O-CG2 3.45Å; G1012-V1015 PolarHBondContact O-N 2.73Å |
| 1013 | E | 77.7 | Confident | 90.1 | Very high | 174 Ų | 174 | 40 Ų | 40 | 81% | 0.813 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -128 | 114.8 | 169.2 | -76.7 | -162 | 170.7 | 0 | 0 | 111 | ||
| 1014 | P | 83.1 | Confident | 90.1 | Very high | 71 Ų | 71 | 36.2 Ų | 36.2 | 46% | 0.461 | 21% | 0.205 | S | C | . | . | S | Bend | cis | -64.2 | 156 | -6 | 31.7 | -37.1 | 0 | 0 | 0 | 111.7 | M919 N920 G1012 M1016 | M919-P1014 VanDerWaalsContact CE-CD 3.48Å; N920-P1014 PolarHBondContact ND2-O 3.34Å; G1012-P1014 CarbonylContact C-O 3.54Å; G1012-P1014 CarbonylContact O-C 3.56Å; P1014-M1016 PolarHBondContact O-N 2.84Å |
| 1015 | V | 86.2 | Confident | 89.9 | Confident | 88 Ų | 88 | 38.8 Ų | 38.8 | 53% | 0.533 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -70.1 | 116.6 | 168.4 | 174.9 | 0 | 0 | 0 | 0 | 108.4 | F1009 D1010 G1012 | F1009-V1015 HydrophobicContact CB-CG1 4.22Å; F1009-V1015 HydrophobicContact CD2-CG1 4.44Å; D1010-V1015 VanDerWaalsContact OD1-CA 3.3Å; D1010-V1015 WeakPolarHBondContact OD1-CA 3.45Å; G1012-V1015 WeakPolarHBondContact O-CG2 3.45Å; G1012-V1015 PolarHBondContact O-N 2.73Å |
| 1016 | M | 86.1 | Confident | 89.6 | Confident | 54 Ų | 54 | 38.6 Ų | 38.6 | 27% | 0.266 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -91 | 165.8 | 170.3 | -61.1 | -169.3 | 82.2 | 0 | 0 | 110.1 | N920 D921 P923 F1009 D1010 P1014 | N920-M1016 PolarHBondContact OD1-SD 3.41Å; N920-M1016 VanDerWaalsContact OD1-SD 3.42Å; D921-M1016 VanDerWaalsContact CA-SD 3.55Å; P923-M1016 HydrophobicContact CB-CB 3.97Å; P923-M1016 HydrophobicContact CB-CE 4.05Å; P923-M1016 HydrophobicContact CB-SD 4.47Å; P923-M1016 HydrophobicContact CG-CE 4.15Å; F1009-M1016 WeakPolarHBondContact CA-O 3.43Å; D1010-M1016 PolarHBondContact N-O 2.92Å; D1010-M1016 PolarHBondContact OD1-N 3.43Å; D1010-M1016 WeakPolarHBondContact OD2-CA 3.28Å; D1010-M1016 VanDerWaalsContact OD2-CB 3.22Å; D1010-M1016 WeakPolarHBondContact OD2-CB 3.39Å; D1010-M1016 PolarHBondContact OD2-N 2.82Å; P1014-M1016 PolarHBondContact O-N 2.84Å |
| 1017 | S | 91.4 | Very high | 89.1 | Confident | 63 Ų | 63 | 39 Ų | 39 | 44% | 0.441 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 154.4 | 179 | 49.7 | 0 | 0 | 0 | 0 | 112 | A1008 | A1008-S1017 CarbonylContact O-C 3.52Å; A1008-S1017 WeakPolarHBondContact O-CA 3.44Å; A1008-S1017 WeakPolarHBondContact O-CB 3.31Å |
| 1018 | S | 91.6 | Very high | 88.6 | Confident | 32 Ų | 32 | 43.3 Ų | 43.3 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 164.4 | 165.5 | 82.3 | 0 | 0 | 0 | 0 | 111.2 | P924 F926 V1007 A1008 | P924-S1018 WeakPolarHBondContact O-CB 3.38Å; P924-S1018 PolarHBondContact O-OG 3.04Å; F926-S1018 VanDerWaalsContact CD2-OG 3.27Å; F926-S1018 WeakPolarHBondContact CD2-OG 3.37Å; F926-S1018 WeakPolarHBondContact CE2-O 3.35Å; V1007-S1018 WeakPolarHBondContact CA-O 3.11Å; A1008-S1018 PolarHBondContact N-O 2.92Å; A1008-S1018 PolarHBondContact O-N 2.82Å |
| 1019 | S | 92.3 | Very high | 87.9 | Confident | 75 Ų | 75 | 47 Ų | 47 | 52% | 0.524 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.3 | -178 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | V1006 | V1006-S1019 WeakPolarHBondContact O-CA 3.46Å |
| 1020 | A | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 150.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F926 Y931 V1006 | F926-A1020 HydrophobicContact CB-CB 4.01Å; F926-A1020 HydrophobicContact CD1-CB 4.03Å; F926-A1020 HydrophobicContact CD2-CB 3.39Å; F926-A1020 HydrophobicContact CE1-CB 4.3Å; F926-A1020 HydrophobicContact CE2-CB 3.7Å; F926-A1020 VanDerWaalsContact CE2-N 3.34Å; F926-A1020 HydrophobicContact CG-CB 3.56Å; F926-A1020 HydrophobicContact CZ-CB 4.13Å; Y931-A1020 HydrophobicContact CD2-CB 4.08Å; Y931-A1020 HydrophobicContact CE2-CB 3.88Å; V1006-A1020 PolarHBondContact N-O 3.37Å; V1006-A1020 PolarHBondContact O-N 3.48Å |
| 1021 | T | 92.8 | Very high | 86.5 | Confident | 42 Ų | 42 | 49.1 Ų | 49.1 | 26% | 0.258 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.7 | 175.7 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | R929 I930 Y931 K1003 | R929-T1021 PolarHBondContact O-N 3.23Å; R929-T1021 VanDerWaalsContact O-N 3.1Å; I930-T1021 CarbonylContact C-O 3.53Å; I930-T1021 VanDerWaalsContact CA-O 3.29Å; I930-T1021 WeakPolarHBondContact CA-O 3.43Å; Y931-T1021 PolarHBondContact N-O 3.41Å; K1003-T1021 HydrophobicContact CB-CG2 4.04Å; K1003-T1021 HydrophobicContact CG-CG2 4.28Å |
| 1022 | V | 93.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 111.7 | 165.8 | -164.6 | 0 | 0 | 0 | 0 | 108.1 | Y931 T946 V948 V988 L1004 V1006 I1024 | Y931-V1022 WeakPolarHBondContact O-CA 3.27Å; T946-V1022 HydrophobicContact CG2-CG1 3.66Å; V948-V1022 HydrophobicContact CG1-CG2 3.84Å; V988-V1022 HydrophobicContact CG2-CG2 4.33Å; L1004-V1022 HydrophobicContact CB-CB 4.28Å; L1004-V1022 PolarHBondContact N-O 3.24Å; L1004-V1022 PolarHBondContact O-N 2.8Å; V1006-V1022 HydrophobicContact CG2-CG2 3.88Å; V1022-I1024 HydrophobicContact CB-CG1 4.25Å; V1022-I1024 HydrophobicContact CG1-CD1 4.17Å; V1022-I1024 HydrophobicContact CG1-CG1 3.63Å; V1022-I1024 PolarHBondContact O-N 3.01Å |
| 1023 | R | 93.3 | Very high | 86.6 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 20% | 0.2 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 105.1 | 167.9 | -74.8 | -178.7 | 69.9 | 173.6 | -1.7 | 107.6 | I930 Y931 G933 I1001 F1002 G1538 N1539 | I930-R1023 HydrophobicContact CG2-CG 4.22Å; Y931-R1023 PolarHBondContact O-N 3.23Å; G933-R1023 PolarHBondContact N-O 3.13Å; I1001-R1023 HydrophobicContact CG2-CB 4.25Å; I1001-R1023 HydrophobicContact CG2-CG 4.44Å; F1002-R1023 WeakPolarHBondContact O-CA 3.42Å; R1023-G1538 PolarHBondContact NH1-O 3.38Å; R1023-N1539 PolarHBondContact NH2-O 2.64Å |
| 1024 | I | 92.1 | Very high | 87 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 111.6 | 179.9 | -56.1 | 170.7 | 0 | 0 | 0 | 108.1 | G933 V935 I945 F979 V988 I1001 F1002 L1004 V1022 | G933-I1024 WeakPolarHBondContact O-CA 3.33Å; V935-I1024 HydrophobicContact CB-CG2 4.06Å; V935-I1024 HydrophobicContact CG1-CG2 3.71Å; I945-I1024 HydrophobicContact CD1-CD1 4.24Å; I945-I1024 HydrophobicContact CD1-CG2 4.33Å; I945-I1024 HydrophobicContact CG2-CD1 4.34Å; I945-I1024 HydrophobicContact CG2-CG1 4.13Å; I945-I1024 HydrophobicContact CG2-CG2 3.95Å; F979-I1024 HydrophobicContact CB-CD1 4.45Å; F979-I1024 HydrophobicContact CD1-CD1 4.17Å; F979-I1024 HydrophobicContact CD2-CD1 3.51Å; F979-I1024 HydrophobicContact CE1-CD1 4.33Å; F979-I1024 HydrophobicContact CE1-CG2 4.26Å; F979-I1024 HydrophobicContact CE2-CB 4.26Å; F979-I1024 HydrophobicContact CE2-CD1 3.68Å; F979-I1024 HydrophobicContact CE2-CG2 4.17Å; F979-I1024 HydrophobicContact CG-CD1 3.78Å; F979-I1024 HydrophobicContact CZ-CB 4.37Å; F979-I1024 HydrophobicContact CZ-CD1 4.1Å; F979-I1024 HydrophobicContact CZ-CG2 3.77Å; V988-I1024 HydrophobicContact CG1-CD1 4.22Å; I1001-I1024 CarbonylContact C-O 3.52Å; I1001-I1024 WeakPolarHBondContact CA-O 3.44Å; F1002-I1024 HydrophobicContact CB-CB 4.33Å; F1002-I1024 PolarHBondContact N-O 2.88Å; F1002-I1024 PolarHBondContact O-N 3.48Å; L1004-I1024 HydrophobicContact CB-CD1 4.09Å; L1004-I1024 HydrophobicContact CD2-CD1 4.2Å; V1022-I1024 HydrophobicContact CB-CG1 4.25Å; V1022-I1024 HydrophobicContact CG1-CD1 4.17Å; V1022-I1024 HydrophobicContact CG1-CG1 3.63Å; V1022-I1024 PolarHBondContact O-N 3.01Å |
| 1025 | L | 89.4 | Confident | 87.3 | Confident | 55 Ų | 55 | 44.3 Ų | 44.3 | 29% | 0.288 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 129 | 176 | 174 | 66.4 | 0 | 0 | 0 | 110.1 | G933 M934 V935 I1001 L1027 | G933-L1025 PolarHBondContact O-N 2.91Å; M934-L1025 WeakPolarHBondContact CA-O 3.22Å; M934-L1025 HydrophobicContact CG-CB 4.37Å; V935-L1025 PolarHBondContact N-O 3.12Å; I1001-L1025 HydrophobicContact CD1-CD1 4.44Å; I1001-L1025 HydrophobicContact CG1-CD1 3.78Å; L1025-L1027 HydrophobicContact CD2-CD2 3.88Å; L1025-L1027 HydrophobicContact CG-CD2 4.19Å |
| 1026 | V | 88.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 114.8 | 166.2 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | V935 P937 E996 T999 T1000 F1002 | V935-V1026 HydrophobicContact CG1-CG2 4.04Å; V935-V1026 WeakPolarHBondContact O-CA 3.42Å; P937-V1026 HydrophobicContact CB-CG1 3.76Å; P937-V1026 HydrophobicContact CG-CG1 4.47Å; E996-V1026 HydrophobicContact CB-CG1 4.35Å; E996-V1026 HydrophobicContact CB-CG2 4.03Å; T999-V1026 WeakPolarHBondContact CA-O 3.25Å; T999-V1026 PolarHBondContact N-O 3.37Å; T1000-V1026 PolarHBondContact O-N 2.98Å; F1002-V1026 HydrophobicContact CD2-CG2 4.03Å; F1002-V1026 HydrophobicContact CE2-CG2 3.49Å; F1002-V1026 VanDerWaalsContact CE2-CG2 3.49Å; F1002-V1026 HydrophobicContact CZ-CG2 4.43Å |
| 1027 | L | 83 | Confident | 87.5 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | trans | -70 | 155.6 | 179 | -65 | -170.3 | 0 | 0 | 0 | 112 | M934 V935 P937 L1025 E1031 I1032 V1121 | M934-L1027 HydrophobicContact CB-CD2 4.33Å; M934-L1027 HydrophobicContact CB-CG 4.3Å; M934-L1027 HydrophobicContact CG-CD2 4.28Å; M934-L1027 HydrophobicContact SD-CD2 3.99Å; V935-L1027 PolarHBondContact O-N 3.31Å; P937-L1027 WeakPolarHBondContact CD-O 3.24Å; L1025-L1027 HydrophobicContact CD2-CD2 3.88Å; L1025-L1027 HydrophobicContact CG-CD2 4.19Å; L1027-E1031 WeakPolarHBondContact CA-OE2 3.47Å; L1027-E1031 WeakPolarHBondContact CB-OE2 3.19Å; L1027-I1032 HydrophobicContact CB-CD1 4.22Å; L1027-I1032 HydrophobicContact CB-CG1 4.02Å; L1027-I1032 HydrophobicContact CD1-CG1 4.12Å; L1027-V1121 HydrophobicContact CD1-CB 4.35Å; L1027-V1121 HydrophobicContact CD1-CG1 4.13Å; L1027-V1121 HydrophobicContact CD1-CG2 4Å | ||
| 1028 | H | 82.5 | Confident | 87.2 | Confident | 95 Ų | 95 | 50.6 Ų | 50.6 | 44% | 0.44 | 26% | 0.261 | S | S | . | . | trans | -74.4 | 140.5 | 167 | -161.6 | 77.7 | 0 | 0 | 0 | 110.5 | P998 G1030 E1031 | P998-H1028 HydrophobicContact CB-CB 4.23Å; P998-H1028 WeakPolarHBondContact CB-ND1 3.42Å; H1028-G1030 PolarHBondContact O-N 2.67Å; H1028-E1031 HydrophobicContact CB-CG 4.04Å; H1028-E1031 PolarHBondContact N-OE2 2.83Å; H1028-E1031 WeakPolarHBondContact O-CB 3.34Å; H1028-E1031 PolarHBondContact O-N 2.86Å | ||
| 1029 | P | 79.5 | Confident | 87.1 | Confident | 76 Ų | 76 | 52.3 Ų | 52.3 | 49% | 0.494 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -14.8 | 178.8 | -28.7 | 35.9 | 0 | 0 | 0 | 116 | P937 | P937-P1029 HydrophobicContact CG-CG 4.01Š|
| 1030 | G | 77.8 | Confident | 87.1 | Confident | 18 Ų | 18 | 49.4 Ų | 49.4 | 19% | 0.186 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -15.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | H1028 I1063 | H1028-G1030 PolarHBondContact O-N 2.67Å; G1030-I1063 PolarHBondContact O-N 2.74Å |
| 1031 | E | 76.9 | Confident | 87.2 | Confident | 67 Ų | 67 | 56 Ų | 56 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -20.6 | 173.3 | -61.4 | 164.6 | 165.7 | 0 | 0 | 111.3 | L1027 H1028 P1033 Q1065 | L1027-E1031 WeakPolarHBondContact CA-OE2 3.47Å; L1027-E1031 WeakPolarHBondContact CB-OE2 3.19Å; H1028-E1031 HydrophobicContact CB-CG 4.04Å; H1028-E1031 PolarHBondContact N-OE2 2.83Å; H1028-E1031 WeakPolarHBondContact O-CB 3.34Å; H1028-E1031 PolarHBondContact O-N 2.86Å; E1031-P1033 WeakPolarHBondContact O-CD 3.31Å; E1031-Q1065 PolarHBondContact O-OE1 3.46Å |
| 1032 | I | 81.3 | Confident | 87.1 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -83.8 | 118.1 | 177.3 | -60.7 | 172.6 | 0 | 0 | 0 | 108 | A936 L1027 R1034 N1126 | A936-I1032 HydrophobicContact CB-CD1 3.6Å; L1027-I1032 HydrophobicContact CB-CD1 4.22Å; L1027-I1032 HydrophobicContact CB-CG1 4.02Å; L1027-I1032 HydrophobicContact CD1-CG1 4.12Å; I1032-R1034 PolarHBondContact O-N 2.65Å; I1032-N1126 HydrophobicContact CG2-CB 3.92Å |
| 1033 | P | 86.9 | Confident | 86.9 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 125.5 | -178.9 | -25.5 | 36 | 0 | 0 | 0 | 111.4 | E1031 A1060 A1062 I1067 A1109 S1125 N1126 | E1031-P1033 WeakPolarHBondContact O-CD 3.31Å; P1033-A1060 HydrophobicContact CB-CB 4.12Å; P1033-A1062 HydrophobicContact CB-CB 4.46Å; P1033-A1062 HydrophobicContact CG-CB 4.22Å; P1033-I1067 HydrophobicContact CB-CD1 3.7Å; P1033-I1067 HydrophobicContact CG-CD1 3.61Å; P1033-A1109 HydrophobicContact CB-CB 3.9Å; P1033-A1109 WeakPolarHBondContact CG-O 3.09Å; P1033-S1125 CarbonylContact O-C 3.53Å; P1033-N1126 HydrophobicContact CB-CB 4.42Å; P1033-N1126 WeakPolarHBondContact O-CA 3.39Å; P1033-N1126 WeakPolarHBondContact O-CB 3.48Å; P1033-N1126 PolarHBondContact O-N 2.86Å |
| 1034 | R | 85.9 | Confident | 86.8 | Confident | 180 Ų | 180 | 60.5 Ų | 60.5 | 68% | 0.679 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 119.4 | 177.9 | -172.9 | 175.3 | 176.8 | -173.3 | -1.1 | 110.2 | I1032 A1060 A1061 S1125 | I1032-R1034 PolarHBondContact O-N 2.65Å; R1034-A1060 CarbonylContact O-C 3.56Å; R1034-A1060 WeakPolarHBondContact O-CA 3.27Å; R1034-A1061 PolarHBondContact N-O 3.04Å; R1034-A1061 PolarHBondContact O-N 3.49Å; R1034-S1125 WeakPolarHBondContact CA-O 3.2Å |
| 1035 | F | 90.2 | Very high | 86.8 | Confident | 12 Ų | 12 | 61 Ų | 61 | 5% | 0.053 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 145.5 | 171.6 | -78.5 | -67.9 | 0 | 0 | 0 | 111.6 | Q1037 Y1040 I1058 S1059 A1060 Y1069 V1107 A1109 S1125 N1126 A1128 | F1035-Q1037 WeakPolarHBondContact CB-O 3.24Å; F1035-Q1037 PolarHBondContact O-N 3.11Å; F1035-Y1040 HydrophobicContact CB-CE2 4.29Å; F1035-Y1040 AromaticContact CD1-CE2 3.97Å; F1035-Y1040 HydrophobicContact CD1-CE2 3.97Å; F1035-Y1040 WeakPolarHBondContact CD1-OH 3.35Å; F1035-Y1040 HydrophobicContact CG-CE2 4.27Å; F1035-I1058 HydrophobicContact CE1-CB 4.13Å; F1035-I1058 HydrophobicContact CE1-CD1 3.65Å; F1035-I1058 HydrophobicContact CE1-CG1 3.99Å; F1035-I1058 HydrophobicContact CZ-CD1 3.97Å; F1035-S1059 CarbonylContact C-O 3.58Å; F1035-S1059 WeakPolarHBondContact CA-O 3.2Å; F1035-S1059 WeakPolarHBondContact CD1-O 3.29Å; F1035-A1060 HydrophobicContact CD1-CB 3.72Å; F1035-A1060 HydrophobicContact CE1-CB 4.05Å; F1035-A1060 HydrophobicContact CG-CB 4.12Å; F1035-Y1069 HydrophobicContact CE1-CD1 4.01Å; F1035-Y1069 AromaticContact CE1-CE1 3.91Å; F1035-Y1069 HydrophobicContact CE1-CE1 3.91Å; F1035-Y1069 HydrophobicContact CZ-CD1 4.44Å; F1035-V1107 HydrophobicContact CE1-CG2 4.44Å; F1035-V1107 HydrophobicContact CE2-CG2 4.32Å; F1035-V1107 HydrophobicContact CZ-CB 4.36Å; F1035-V1107 HydrophobicContact CZ-CG2 3.91Å; F1035-A1109 HydrophobicContact CE1-CB 3.99Å; F1035-A1109 HydrophobicContact CE2-CB 3.98Å; F1035-A1109 HydrophobicContact CZ-CB 3.6Å; F1035-S1125 PolarHBondContact N-O 2.93Å; F1035-S1125 VanDerWaalsContact N-O 3.17Å; F1035-N1126 VanDerWaalsContact CE2-O 3.27Å; F1035-N1126 WeakPolarHBondContact CE2-O 3.49Å; F1035-A1128 HydrophobicContact CB-CB 4.21Å; F1035-A1128 HydrophobicContact CD1-CB 4.41Å; F1035-A1128 HydrophobicContact CD2-CB 3.41Å; F1035-A1128 VanDerWaalsContact CD2-CB 3.41Å; F1035-A1128 HydrophobicContact CE2-CB 3.75Å; F1035-A1128 HydrophobicContact CG-CB 3.78Å; F1035-A1128 HydrophobicContact CZ-CB 4.4Å |
| 1036 | T | 88.1 | Confident | 87 | Confident | 96 Ų | 96 | 60 Ų | 60 | 59% | 0.589 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -67.1 | -23.3 | 175 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | Y1040 S1059 | T1036-Y1040 PolarHBondContact N-OH 2.78Å; T1036-Y1040 PolarHBondContact OG1-OH 3.21Å; T1036-Y1040 VanDerWaalsContact OG1-OH 3.1Å; T1036-S1059 PolarHBondContact N-O 2.78Å; T1036-S1059 PolarHBondContact OG1-O 2.85Å |
| 1037 | Q | 87.8 | Confident | 87.2 | Confident | 102 Ų | 102 | 60.6 Ų | 60.6 | 48% | 0.477 | 31% | 0.308 | S | S | . | . | trans | -139.4 | 139.9 | 174.9 | -54.6 | -179.4 | 12.8 | 0 | 0 | 110.3 | F1035 Y1040 | F1035-Q1037 WeakPolarHBondContact CB-O 3.24Å; F1035-Q1037 PolarHBondContact O-N 3.11Å; Q1037-Y1040 HydrophobicContact CB-CD1 4.2Å; Q1037-Y1040 HydrophobicContact CB-CD2 4.36Å; Q1037-Y1040 HydrophobicContact CB-CE1 4Å; Q1037-Y1040 HydrophobicContact CB-CE2 4.16Å; Q1037-Y1040 HydrophobicContact CB-CG 4.38Å; Q1037-Y1040 HydrophobicContact CG-CD1 4.47Å; Q1037-Y1040 HydrophobicContact CG-CE1 4.18Å; Q1037-Y1040 WeakPolarHBondContact O-CE2 3.46Å | ||
| 1038 | E | 85.2 | Confident | 87.6 | Confident | 139 Ų | 139 | 65 Ų | 65 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -78 | -30 | 175.2 | -171.8 | 177 | 174.2 | 0 | 0 | 111.8 | A1128 K1129 | E1038-A1128 WeakPolarHBondContact O-CA 3.09Å; E1038-A1128 WeakPolarHBondContact O-CB 3.49Å; E1038-K1129 PolarHBondContact O-N 3.45Å |
| 1039 | E | 90.7 | Very high | 87.9 | Confident | 68 Ų | 68 | 61.2 Ų | 61.2 | 32% | 0.318 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 113.7 | 171 | -59.9 | -155.3 | 149.8 | 0 | 0 | 110.3 | R1041 K1129 Y1131 | E1039-R1041 IonicContact OE2-CZ 3.94Å; E1039-R1041 IonicContact OE2-NH2 2.66Å; E1039-R1041 PolarHBondContact OE2-NH2 3.01Å; E1039-K1129 WeakPolarHBondContact CA-O 3.44Å; E1039-K1129 WeakPolarHBondContact OE1-CD 3.47Å; E1039-K1129 IonicContact OE1-NZ 2.91Å; E1039-K1129 PolarHBondContact OE1-NZ 2.67Å; E1039-Y1131 HydrophobicContact CB-CD2 4.44Å; E1039-Y1131 HydrophobicContact CB-CE2 3.97Å; E1039-Y1131 VanDerWaalsContact CD-OH 3.3Å; E1039-Y1131 HydrophobicContact CG-CE2 3.94Å; E1039-Y1131 WeakPolarHBondContact OE1-CE2 3.49Å; E1039-Y1131 PolarHBondContact OE1-OH 3.12Å; E1039-Y1131 WeakPolarHBondContact OE2-CE2 3.43Å; E1039-Y1131 PolarHBondContact OE2-OH 3.29Å |
| 1040 | Y | 92.2 | Very high | 88.3 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 6% | 0.059 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.4 | 171.4 | -67 | -94 | 0 | 0 | 0 | 110.7 | F1035 T1036 Q1037 I1058 S1059 A1128 K1129 V1130 Y1131 | F1035-Y1040 HydrophobicContact CB-CE2 4.29Å; F1035-Y1040 AromaticContact CD1-CE2 3.97Å; F1035-Y1040 HydrophobicContact CD1-CE2 3.97Å; F1035-Y1040 WeakPolarHBondContact CD1-OH 3.35Å; F1035-Y1040 HydrophobicContact CG-CE2 4.27Å; T1036-Y1040 PolarHBondContact N-OH 2.78Å; T1036-Y1040 PolarHBondContact OG1-OH 3.21Å; T1036-Y1040 VanDerWaalsContact OG1-OH 3.1Å; Q1037-Y1040 HydrophobicContact CB-CD1 4.2Å; Q1037-Y1040 HydrophobicContact CB-CD2 4.36Å; Q1037-Y1040 HydrophobicContact CB-CE1 4Å; Q1037-Y1040 HydrophobicContact CB-CE2 4.16Å; Q1037-Y1040 HydrophobicContact CB-CG 4.38Å; Q1037-Y1040 HydrophobicContact CG-CD1 4.47Å; Q1037-Y1040 HydrophobicContact CG-CE1 4.18Å; Q1037-Y1040 WeakPolarHBondContact O-CE2 3.46Å; Y1040-I1058 HydrophobicContact CD1-CG2 4.1Å; Y1040-I1058 HydrophobicContact CD2-CB 4.4Å; Y1040-I1058 HydrophobicContact CD2-CG2 3.8Å; Y1040-I1058 HydrophobicContact CE1-CB 4.21Å; Y1040-I1058 HydrophobicContact CE1-CG2 4.19Å; Y1040-I1058 HydrophobicContact CE2-CB 3.99Å; Y1040-I1058 HydrophobicContact CE2-CG2 3.9Å; Y1040-I1058 HydrophobicContact CG-CG2 3.9Å; Y1040-S1059 PolarHBondContact OH-N 3.03Å; Y1040-S1059 VanDerWaalsContact OH-N 3.15Å; Y1040-S1059 PolarHBondContact OH-O 3.2Å; Y1040-A1128 HydrophobicContact CD2-CB 4.14Å; Y1040-A1128 HydrophobicContact CE2-CB 3.93Å; Y1040-K1129 PolarHBondContact N-O 3.13Å; Y1040-V1130 HydrophobicContact CD2-CG2 4.44Å; Y1040-V1130 WeakPolarHBondContact O-CA 3.44Å; Y1040-Y1131 PolarHBondContact O-N 2.96Å |
| 1041 | R | 93.2 | Very high | 88.9 | Confident | 138 Ų | 138 | 67.8 Ų | 67.8 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | trans | -129.8 | 81.4 | 174.6 | -64.1 | -176.7 | -178.5 | -86.8 | -12 | 108.7 | E1039 Y1131 | E1039-R1041 IonicContact OE2-CZ 3.94Å; E1039-R1041 IonicContact OE2-NH2 2.66Å; E1039-R1041 PolarHBondContact OE2-NH2 3.01Å; R1041-Y1131 HydrophobicContact CG-CD2 4.42Å | ||
| 1042 | P | 91.3 | Very high | 89.4 | Confident | 26 Ų | 26 | 66.9 Ų | 66.9 | 17% | 0.169 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 160.1 | 169.9 | 23.1 | -35 | 0 | 0 | 0 | 111.8 | V1055 V1130 Y1131 I1132 | P1042-V1055 HydrophobicContact CB-CG1 4.08Å; P1042-V1055 VanDerWaalsContact CB-O 3.22Å; P1042-V1055 WeakPolarHBondContact CB-O 3.36Å; P1042-V1055 HydrophobicContact CG-CG1 3.96Å; P1042-V1130 HydrophobicContact CG-CG1 3.95Å; P1042-Y1131 WeakPolarHBondContact CD-O 3.38Å; P1042-I1132 HydrophobicContact CG-CG1 4.16Å |
| 1043 | P | 89.4 | Confident | 89.9 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 60% | 0.604 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 152.7 | 170.8 | 28.4 | -35.5 | 0 | 0 | 0 | 110.8 | ||
| 1044 | P | 91.5 | Very high | 90.2 | Very high | 71 Ų | 71 | 73.4 Ų | 73.4 | 46% | 0.461 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 140.7 | 176.5 | -28.3 | 36.6 | 0 | 0 | 0 | 112.9 | E1133 Q1135 | P1044-E1133 CarbonylContact C-O 3.4Å; P1044-E1133 VanDerWaalsContact CA-O 3.29Å; P1044-E1133 WeakPolarHBondContact CA-O 3.13Å; P1044-Q1135 HydrophobicContact CB-CB 3.98Å |
| 1045 | V | 92.1 | Very high | 90.5 | Very high | 10 Ų | 10 | 65.1 Ų | 65.1 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 113.9 | -176 | -170.9 | 0 | 0 | 0 | 0 | 109.4 | E1047 A1049 V1055 V1091 L1095 I1132 E1133 I1134 Q1135 | V1045-E1047 PolarHBondContact O-N 3.15Å; V1045-A1049 HydrophobicContact CG1-CB 3.96Å; V1045-V1055 HydrophobicContact CG1-CG2 4.33Å; V1045-V1055 HydrophobicContact CG2-CB 4.16Å; V1045-V1055 HydrophobicContact CG2-CG1 3.6Å; V1045-V1055 HydrophobicContact CG2-CG2 3.89Å; V1045-V1091 HydrophobicContact CG1-CG2 4.26Å; V1045-L1095 HydrophobicContact CB-CD1 4.14Å; V1045-L1095 HydrophobicContact CG1-CD1 3.51Å; V1045-I1132 HydrophobicContact CG2-CG2 3.78Å; V1045-E1133 PolarHBondContact N-O 2.78Å; V1045-I1134 WeakPolarHBondContact O-CA 3.39Å; V1045-Q1135 PolarHBondContact O-N 2.68Å |
| 1046 | S | 91.9 | Very high | 90.5 | Very high | 35 Ų | 35 | 65.6 Ų | 65.6 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -43.4 | 126.2 | 168.1 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | L1048 A1049 E1137 | S1046-L1048 PolarHBondContact O-N 3.21Å; S1046-A1049 WeakPolarHBondContact O-CB 3.33Å; S1046-A1049 PolarHBondContact O-N 2.88Å; S1046-E1137 WeakPolarHBondContact CB-OE1 3.34Å; S1046-E1137 VanDerWaalsContact OG-CD 3.3Å; S1046-E1137 VanDerWaalsContact OG-CG 3.3Å; S1046-E1137 WeakPolarHBondContact OG-CG 3.12Å; S1046-E1137 PolarHBondContact OG-OE1 2.82Å |
| 1047 | E | 93.1 | Very high | 90.7 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 5% | 0.051 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -28.1 | -178.8 | 68.9 | -168.8 | 112.8 | 0 | 0 | 113.1 | V1045 A1049 L1095 Y1097 I1134 Q1135 E1137 | V1045-E1047 PolarHBondContact O-N 3.15Å; E1047-A1049 PolarHBondContact O-N 2.93Å; E1047-A1049 VanDerWaalsContact O-N 3.11Å; E1047-L1095 HydrophobicContact CB-CB 4.26Å; E1047-Y1097 WeakPolarHBondContact OE1-CB 3.4Å; E1047-Y1097 VanDerWaalsContact OE2-CB 3.31Å; E1047-Y1097 WeakPolarHBondContact OE2-CB 3.28Å; E1047-Y1097 PolarHBondContact OE2-N 2.9Å; E1047-I1134 HydrophobicContact CB-CG2 3.83Å; E1047-Q1135 PolarHBondContact N-O 2.89Å; E1047-Q1135 VanDerWaalsContact N-O 3.15Å; E1047-E1137 HydrophobicContact CG-CB 4.05Å; E1047-E1137 HydrophobicContact CG-CG 4.16Å; E1047-E1137 PolarHBondContact OE1-N 2.93Å |
| 1048 | L | 91.1 | Very high | 90.9 | Very high | 104 Ų | 104 | 60.5 Ų | 60.5 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 2.9 | 174.3 | -59.5 | 177.9 | 0 | 0 | 0 | 113.3 | S1046 A1050 E1137 | S1046-L1048 PolarHBondContact O-N 3.21Å; L1048-A1050 PolarHBondContact O-N 2.81Å; L1048-E1137 HydrophobicContact CD1-CB 3.76Å; L1048-E1137 HydrophobicContact CD1-CG 4.09Å; L1048-E1137 HydrophobicContact CG-CB 3.93Å; L1048-E1137 HydrophobicContact CG-CG 4.08Å |
| 1049 | A | 89.4 | Confident | 91.2 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 12% | 0.116 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 122.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1045 S1046 E1047 T1053 V1091 L1095 | V1045-A1049 HydrophobicContact CG1-CB 3.96Å; S1046-A1049 WeakPolarHBondContact O-CB 3.33Å; S1046-A1049 PolarHBondContact O-N 2.88Å; E1047-A1049 PolarHBondContact O-N 2.93Å; E1047-A1049 VanDerWaalsContact O-N 3.11Å; A1049-T1053 HydrophobicContact CB-CG2 4.02Å; A1049-V1091 HydrophobicContact CB-CG2 4.19Å; A1049-L1095 HydrophobicContact CB-CD1 4.43Å |
| 1050 | A | 89 | Confident | 91.2 | Very high | 66 Ų | 66 | 53.6 Ų | 53.6 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 153.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1048 G1052 T1053 | L1048-A1050 PolarHBondContact O-N 2.81Å; A1050-G1052 PolarHBondContact O-N 3.16Å; A1050-T1053 PolarHBondContact N-OG1 3.11Å; A1050-T1053 VanDerWaalsContact O-CB 3.24Å; A1050-T1053 WeakPolarHBondContact O-CB 3.4Å; A1050-T1053 PolarHBondContact O-N 2.92Å; A1050-T1053 PolarHBondContact O-OG1 3.27Å |
| 1051 | R | 89.6 | Confident | 90.9 | Very high | 166 Ų | 166 | 56 Ų | 56 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 132 | 170.9 | -60.6 | -178.1 | -176.7 | -127.7 | 10 | 110.1 | V1091 N1092 | R1051-V1091 CarbonylContact C-O 3.58Å; R1051-V1091 WeakPolarHBondContact CA-O 3.43Å; R1051-N1092 VanDerWaalsContact CD-O 3.23Å; R1051-N1092 WeakPolarHBondContact CD-O 3.02Å; R1051-N1092 WeakPolarHBondContact CG-O 3.45Å; R1051-N1092 PolarHBondContact NH1-O 3.48Å |
| 1052 | G | 88.3 | Confident | 90.5 | Very high | 49 Ų | 49 | 50.3 Ų | 50.3 | 51% | 0.505 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | -4.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1050 V1054 V1091 | A1050-G1052 PolarHBondContact O-N 3.16Å; G1052-V1054 PolarHBondContact O-N 3.28Å; G1052-V1091 PolarHBondContact N-O 2.88Å |
| 1053 | T | 91 | Very high | 89.8 | Confident | 54 Ų | 54 | 54.8 Ų | 54.8 | 33% | 0.331 | 34% | 0.343 | S | S | . | . | trans | -61.5 | 128.2 | 171.9 | -58 | 0 | 0 | 0 | 0 | 109.8 | A1049 A1050 Y1090 V1091 | A1049-T1053 HydrophobicContact CB-CG2 4.02Å; A1050-T1053 PolarHBondContact N-OG1 3.11Å; A1050-T1053 VanDerWaalsContact O-CB 3.24Å; A1050-T1053 WeakPolarHBondContact O-CB 3.4Å; A1050-T1053 PolarHBondContact O-N 2.92Å; A1050-T1053 PolarHBondContact O-OG1 3.27Å; T1053-Y1090 CarbonylContact O-C 3.59Å; T1053-Y1090 WeakPolarHBondContact O-CA 3.31Å; T1053-Y1090 WeakPolarHBondContact O-CB 3.45Å; T1053-V1091 PolarHBondContact O-N 3.45Å | ||
| 1054 | V | 93 | Very high | 89.3 | Confident | 92 Ų | 92 | 57.5 Ų | 57.5 | 56% | 0.558 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125.9 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 109.6 | G1052 V1088 | G1052-V1054 PolarHBondContact O-N 3.28Å; V1054-V1088 HydrophobicContact CB-CG1 4.34Å; V1054-V1088 HydrophobicContact CG1-CG1 3.72Å; V1054-V1088 HydrophobicContact CG2-CG1 3.75Å |
| 1055 | V | 91.9 | Very high | 88.5 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -38.3 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | P1042 V1045 F1080 I1089 V1091 I1132 | P1042-V1055 HydrophobicContact CB-CG1 4.08Å; P1042-V1055 VanDerWaalsContact CB-O 3.22Å; P1042-V1055 WeakPolarHBondContact CB-O 3.36Å; P1042-V1055 HydrophobicContact CG-CG1 3.96Å; V1045-V1055 HydrophobicContact CG1-CG2 4.33Å; V1045-V1055 HydrophobicContact CG2-CB 4.16Å; V1045-V1055 HydrophobicContact CG2-CG1 3.6Å; V1045-V1055 HydrophobicContact CG2-CG2 3.89Å; V1055-F1080 HydrophobicContact CG2-CD1 3.91Å; V1055-F1080 HydrophobicContact CG2-CE1 3.91Å; V1055-I1089 HydrophobicContact CB-CG2 4.27Å; V1055-I1089 PolarHBondContact N-O 3.22Å; V1055-V1091 HydrophobicContact CG2-CG2 3.83Å; V1055-I1132 HydrophobicContact CG1-CD1 3.97Å; V1055-I1132 HydrophobicContact CG1-CG1 3.98Å; V1055-I1132 HydrophobicContact CG1-CG2 3.89Å |
| 1056 | G | 90.2 | Very high | 88.1 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 22% | 0.216 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | -178 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1089 | G1056-I1089 PolarHBondContact N-O 3.14Å; G1056-I1089 PolarHBondContact O-N 2.9Å |
| 1057 | V | 92.7 | Very high | 87.9 | Confident | 88 Ų | 88 | 58.3 Ų | 58.3 | 53% | 0.533 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135.4 | 176 | 61.5 | 0 | 0 | 0 | 0 | 109.4 | T1086 V1088 | V1057-T1086 WeakPolarHBondContact CG2-O 3.46Å; V1057-V1088 HydrophobicContact CB-CG2 4.29Å; V1057-V1088 HydrophobicContact CG2-CG2 4.01Å |
| 1058 | I | 92.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.015 | 36% | 0.361 | C | S | . | . | trans | -103.3 | 145.9 | 167.9 | 67.6 | 178.4 | 0 | 0 | 0 | 108.9 | F1035 Y1040 Y1069 I1082 G1087 I1089 V1107 V1130 | F1035-I1058 HydrophobicContact CE1-CB 4.13Å; F1035-I1058 HydrophobicContact CE1-CD1 3.65Å; F1035-I1058 HydrophobicContact CE1-CG1 3.99Å; F1035-I1058 HydrophobicContact CZ-CD1 3.97Å; Y1040-I1058 HydrophobicContact CD1-CG2 4.1Å; Y1040-I1058 HydrophobicContact CD2-CB 4.4Å; Y1040-I1058 HydrophobicContact CD2-CG2 3.8Å; Y1040-I1058 HydrophobicContact CE1-CB 4.21Å; Y1040-I1058 HydrophobicContact CE1-CG2 4.19Å; Y1040-I1058 HydrophobicContact CE2-CB 3.99Å; Y1040-I1058 HydrophobicContact CE2-CG2 3.9Å; Y1040-I1058 HydrophobicContact CG-CG2 3.9Å; I1058-Y1069 HydrophobicContact CD1-CD1 3.88Å; I1058-Y1069 HydrophobicContact CG1-CD1 3.87Å; I1058-Y1069 HydrophobicContact CG1-CE1 4.18Å; I1058-I1082 HydrophobicContact CD1-CD1 3.51Å; I1058-I1082 HydrophobicContact CG1-CD1 4.03Å; I1058-G1087 WeakPolarHBondContact CG1-O 3.28Å; I1058-G1087 PolarHBondContact N-O 2.56Å; I1058-I1089 HydrophobicContact CG2-CD1 3.91Å; I1058-V1107 HydrophobicContact CD1-CB 3.56Å; I1058-V1107 HydrophobicContact CD1-CG1 3.88Å; I1058-V1107 HydrophobicContact CD1-CG2 3.56Å; I1058-V1130 HydrophobicContact CG2-CG2 3.87Å | ||
| 1059 | S | 91.4 | Very high | 87.8 | Confident | 55 Ų | 55 | 55 Ų | 55 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | trans | -134.8 | 131.6 | -179 | -171.4 | 0 | 0 | 0 | 0 | 110.5 | F1035 T1036 Y1040 | F1035-S1059 CarbonylContact C-O 3.58Å; F1035-S1059 WeakPolarHBondContact CA-O 3.2Å; F1035-S1059 WeakPolarHBondContact CD1-O 3.29Å; T1036-S1059 PolarHBondContact N-O 2.78Å; T1036-S1059 PolarHBondContact OG1-O 2.85Å; Y1040-S1059 PolarHBondContact OH-N 3.03Å; Y1040-S1059 VanDerWaalsContact OH-N 3.15Å; Y1040-S1059 PolarHBondContact OH-O 3.2Å | ||
| 1060 | A | 90.1 | Very high | 87.9 | Confident | 8 Ų | 8 | 56 Ų | 56 | 7% | 0.066 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 154.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P1033 R1034 F1035 I1067 Y1069 A1109 | P1033-A1060 HydrophobicContact CB-CB 4.12Å; R1034-A1060 CarbonylContact O-C 3.56Å; R1034-A1060 WeakPolarHBondContact O-CA 3.27Å; F1035-A1060 HydrophobicContact CD1-CB 3.72Å; F1035-A1060 HydrophobicContact CE1-CB 4.05Å; F1035-A1060 HydrophobicContact CG-CB 4.12Å; A1060-I1067 HydrophobicContact CB-CG2 4.37Å; A1060-Y1069 HydrophobicContact CB-CE1 4.03Å; A1060-Y1069 PolarHBondContact N-OH 2.86Å; A1060-Y1069 PolarHBondContact O-OH 2.81Å; A1060-A1109 HydrophobicContact CB-CB 3.62Å |
| 1061 | A | 86.4 | Confident | 88 | Confident | 66 Ų | 66 | 54.8 Ų | 54.8 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R1034 | R1034-A1061 PolarHBondContact N-O 3.04Å; R1034-A1061 PolarHBondContact O-N 3.49Å |
| 1062 | A | 83.2 | Confident | 88 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -124.8 | 157.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | P1033 N1064 Q1065 I1067 | P1033-A1062 HydrophobicContact CB-CB 4.46Å; P1033-A1062 HydrophobicContact CG-CB 4.22Å; A1062-N1064 PolarHBondContact O-N 2.97Å; A1062-Q1065 HydrophobicContact CB-CB 4.11Å; A1062-I1067 HydrophobicContact CB-CD1 3.93Å |
| 1063 | I | 78.6 | Confident | 88 | Confident | 119 Ų | 119 | 49.1 Ų | 49.1 | 61% | 0.61 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 123.9 | 178.5 | -59.8 | 177 | 0 | 0 | 0 | 108.5 | G1030 Q1065 | G1030-I1063 PolarHBondContact O-N 2.74Å; I1063-Q1065 PolarHBondContact O-N 2.99Å; I1063-Q1065 VanDerWaalsContact O-N 3.13Å |
| 1064 | N | 78.1 | Confident | 87.8 | Confident | 150 Ų | 150 | 47 Ų | 47 | 80% | 0.802 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 23.1 | 176 | -59.5 | -1.1 | 0 | 0 | 0 | 115.8 | A1062 | A1062-N1064 PolarHBondContact O-N 2.97Š|
| 1065 | Q | 75.5 | Confident | 87.7 | Confident | 37 Ų | 37 | 44.1 Ų | 44.1 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -131.6 | 133.3 | 179.6 | -68.9 | -174.9 | -17.5 | 0 | 0 | 112.1 | E1031 A1062 I1063 S1111 E1113 | E1031-Q1065 PolarHBondContact O-OE1 3.46Å; A1062-Q1065 HydrophobicContact CB-CB 4.11Å; I1063-Q1065 PolarHBondContact O-N 2.99Å; I1063-Q1065 VanDerWaalsContact O-N 3.13Å; Q1065-S1111 PolarHBondContact OE1-OG 2.04Å; Q1065-E1113 PolarHBondContact NE2-OE1 3.31Å; Q1065-E1113 PolarHBondContact NE2-OE2 2.74Å |
| 1066 | S | 82.6 | Confident | 87.5 | Confident | 73 Ų | 73 | 50.4 Ų | 50.4 | 51% | 0.51 | 31% | 0.305 | S | S | . | . | trans | -74.7 | 149.4 | 171 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | S1111 L1112 | S1066-S1111 CarbonylContact O-C 3.56Å; S1066-S1111 WeakPolarHBondContact O-CA 3.4Å; S1066-L1112 PolarHBondContact O-N 2.84Å; S1066-L1112 WeakPolarHBondContact OG-CB 3.18Å; S1066-L1112 WeakPolarHBondContact OG-CD2 3.49Å | ||
| 1067 | I | 87.8 | Confident | 87.3 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 141.4 | -168.7 | -54.9 | -49.6 | 0 | 0 | 0 | 111.3 | P1033 A1060 A1062 Y1069 A1109 | P1033-I1067 HydrophobicContact CB-CD1 3.7Å; P1033-I1067 HydrophobicContact CG-CD1 3.61Å; A1060-I1067 HydrophobicContact CB-CG2 4.37Å; A1062-I1067 HydrophobicContact CB-CD1 3.93Å; I1067-Y1069 HydrophobicContact CB-CE2 4.2Å; I1067-Y1069 HydrophobicContact CG2-CD1 4.14Å; I1067-Y1069 HydrophobicContact CG2-CD2 4.27Å; I1067-Y1069 HydrophobicContact CG2-CE1 3.72Å; I1067-Y1069 HydrophobicContact CG2-CE2 3.88Å; I1067-Y1069 HydrophobicContact CG2-CG 4.4Å; I1067-A1109 HydrophobicContact CG2-CB 3.72Å |
| 1068 | V | 89.4 | Confident | 87.1 | Confident | 30 Ų | 30 | 53.5 Ų | 53.5 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117.1 | 172.3 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | N1084 D1110 L1112 V1115 | V1068-N1084 CarbonylContact C-O 3.54Å; V1068-N1084 WeakPolarHBondContact CA-O 3.48Å; V1068-N1084 HydrophobicContact CG1-CB 4.26Å; V1068-D1110 PolarHBondContact N-O 3.43Å; V1068-D1110 PolarHBondContact O-N 2.64Å; V1068-L1112 HydrophobicContact CG2-CB 4.42Å; V1068-L1112 HydrophobicContact CG2-CD1 4.01Å; V1068-V1115 HydrophobicContact CB-CG2 3.95Å; V1068-V1115 HydrophobicContact CG1-CG2 4.34Å; V1068-V1115 HydrophobicContact CG2-CB 4.4Å; V1068-V1115 HydrophobicContact CG2-CG2 4.07Å |
| 1069 | Y | 91.9 | Very high | 87.1 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 142.8 | -179 | -58.3 | -82.7 | 0 | 0 | 0 | 112.2 | F1035 I1058 A1060 I1067 N1084 V1085 G1087 A1109 | F1035-Y1069 HydrophobicContact CE1-CD1 4.01Å; F1035-Y1069 AromaticContact CE1-CE1 3.91Å; F1035-Y1069 HydrophobicContact CE1-CE1 3.91Å; F1035-Y1069 HydrophobicContact CZ-CD1 4.44Å; I1058-Y1069 HydrophobicContact CD1-CD1 3.88Å; I1058-Y1069 HydrophobicContact CG1-CD1 3.87Å; I1058-Y1069 HydrophobicContact CG1-CE1 4.18Å; A1060-Y1069 HydrophobicContact CB-CE1 4.03Å; A1060-Y1069 PolarHBondContact N-OH 2.86Å; A1060-Y1069 PolarHBondContact O-OH 2.81Å; I1067-Y1069 HydrophobicContact CB-CE2 4.2Å; I1067-Y1069 HydrophobicContact CG2-CD1 4.14Å; I1067-Y1069 HydrophobicContact CG2-CD2 4.27Å; I1067-Y1069 HydrophobicContact CG2-CE1 3.72Å; I1067-Y1069 HydrophobicContact CG2-CE2 3.88Å; I1067-Y1069 HydrophobicContact CG2-CG 4.4Å; Y1069-N1084 PolarHBondContact N-O 2.97Å; Y1069-N1084 WeakPolarHBondContact O-CA 3.26Å; Y1069-N1084 WeakPolarHBondContact O-CB 3.34Å; Y1069-V1085 WeakPolarHBondContact CE2-O 3.23Å; Y1069-G1087 VanDerWaalsContact CD2-CA 3.49Å; Y1069-G1087 VanDerWaalsContact CD2-N 3.35Å; Y1069-A1109 HydrophobicContact CD1-CB 4.12Å; Y1069-A1109 HydrophobicContact CE1-CB 4.17Å |
| 1070 | S | 91.6 | Very high | 87.3 | Confident | 35 Ų | 35 | 51.9 Ų | 51.9 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 151.4 | 173.8 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | V1107 Q1108 | S1070-V1107 CarbonylContact O-C 3.5Å; S1070-V1107 VanDerWaalsContact O-CA 3.27Å; S1070-V1107 WeakPolarHBondContact O-CA 3.31Å; S1070-Q1108 PolarHBondContact N-O 2.94Å; S1070-Q1108 PolarHBondContact O-N 2.89Å |
| 1071 | I | 92.8 | Very high | 87.5 | Confident | 39 Ų | 39 | 51.9 Ų | 51.9 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.4 | 165.8 | -62.8 | 159.9 | 0 | 0 | 0 | 107.3 | N1075 I1082 L1105 V1107 | I1071-N1075 HydrophobicContact CG2-CB 3.85Å; I1071-I1082 HydrophobicContact CD1-CB 3.98Å; I1071-I1082 HydrophobicContact CD1-CG2 4.04Å; I1071-I1082 HydrophobicContact CG1-CB 4.13Å; I1071-I1082 HydrophobicContact CG1-CG2 3.9Å; I1071-L1105 HydrophobicContact CD1-CD1 4.07Å; I1071-L1105 HydrophobicContact CG1-CD1 4.39Å; I1071-V1107 HydrophobicContact CG1-CG1 4.02Å |
| 1072 | V | 88 | Confident | 87.9 | Confident | 63 Ų | 63 | 50 Ų | 50 | 38% | 0.382 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -18.7 | -175.5 | -62.5 | 0 | 0 | 0 | 0 | 114.1 | R1106 Q1108 | V1072-R1106 HydrophobicContact CG2-CB 3.84Å; V1072-R1106 WeakPolarHBondContact CG2-O 3.34Å; V1072-R1106 PolarHBondContact N-O 2.68Å; V1072-Q1108 HydrophobicContact CG1-CB 3.74Å; V1072-Q1108 HydrophobicContact CG2-CB 4.46Å |
| 1073 | A | 88.4 | Confident | 88.4 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 169 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R1106 | A1073-R1106 HydrophobicContact CB-CB 4.21Å; A1073-R1106 HydrophobicContact CB-CG 4.38Å; A1073-R1106 PolarHBondContact O-N 2.98Å |
| 1074 | G | 86.9 | Confident | 89 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 88.5 | 1.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.1 | E1076 L1105 | G1074-E1076 WeakPolarHBondContact CA-OE1 3.42Å; G1074-E1076 VanDerWaalsContact CA-OE2 3.26Å; G1074-E1076 WeakPolarHBondContact CA-OE2 3.31Å; G1074-E1076 PolarHBondContact N-OE1 2.94Å; G1074-L1105 VanDerWaalsContact O-CD2 3.26Å; G1074-L1105 WeakPolarHBondContact O-CD2 3.36Å |
| 1075 | N | 91.8 | Very high | 89.5 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | trans | -120.7 | 37.8 | -179.6 | -168.2 | 48.1 | 0 | 0 | 0 | 111.4 | I1071 E1077 D1078 K1079 F1080 L1105 | I1071-N1075 HydrophobicContact CG2-CB 3.85Å; N1075-E1077 PolarHBondContact O-N 2.62Å; N1075-E1077 VanDerWaalsContact O-N 3.12Å; N1075-D1078 PolarHBondContact O-N 2.62Å; N1075-K1079 PolarHBondContact OD1-N 3.4Å; N1075-F1080 PolarHBondContact ND2-O 2.85Å; N1075-F1080 PolarHBondContact OD1-N 2.69Å; N1075-L1105 HydrophobicContact CB-CD2 4.01Å | ||
| 1076 | E | 87.5 | Confident | 90.1 | Very high | 139 Ų | 139 | 49.8 Ų | 49.8 | 65% | 0.65 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.2 | -175.1 | -63.2 | 70.5 | -151.5 | 0 | 0 | 113.1 | G1074 | G1074-E1076 WeakPolarHBondContact CA-OE1 3.42Å; G1074-E1076 VanDerWaalsContact CA-OE2 3.26Å; G1074-E1076 WeakPolarHBondContact CA-OE2 3.31Å; G1074-E1076 PolarHBondContact N-OE1 2.94Å |
| 1077 | E | 85.9 | Confident | 90.5 | Very high | 86 Ų | 86 | 46.3 Ų | 46.3 | 40% | 0.402 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -0.6 | 178.2 | -66.5 | 164.6 | -145.8 | 0 | 0 | 113.8 | N1075 K1079 R1100 Y1103 | N1075-E1077 PolarHBondContact O-N 2.62Å; N1075-E1077 VanDerWaalsContact O-N 3.12Å; E1077-K1079 HydrophobicContact CB-CG 3.66Å; E1077-K1079 PolarHBondContact O-N 2.97Å; E1077-K1079 WeakPolarHBondContact OE2-CE 3.49Å; E1077-R1100 WeakPolarHBondContact OE1-CD 3.34Å; E1077-R1100 IonicContact OE1-CZ 2.68Å; E1077-R1100 IonicContact OE1-NE 3.9Å; E1077-R1100 IonicContact OE1-NH1 3.67Å; E1077-R1100 PolarHBondContact OE1-NH1 3.38Å; E1077-Y1103 WeakPolarHBondContact OE2-CE1 3.35Å; E1077-Y1103 PolarHBondContact OE2-OH 2.79Å |
| 1078 | D | 89.2 | Confident | 90.8 | Very high | 88 Ų | 88 | 47 Ų | 47 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | trans | 49.7 | 51.6 | -171.6 | -164 | 19.7 | 0 | 0 | 0 | 113.5 | N1075 N1092 S1093 | N1075-D1078 PolarHBondContact O-N 2.62Å; D1078-N1092 PolarHBondContact OD1-ND2 3.25Å; D1078-N1092 PolarHBondContact OD2-ND2 3.38Å; D1078-S1093 WeakPolarHBondContact O-CB 3.28Å; D1078-S1093 PolarHBondContact O-OG 2.81Å | ||
| 1079 | K | 92.6 | Very high | 91.1 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 10% | 0.1 | 26% | 0.255 | C | S | . | . | trans | -85.3 | -34.1 | -178.5 | -73.3 | -92 | 178.3 | 163.2 | 0 | 112.1 | N1075 E1077 N1092 S1093 P1094 L1095 Y1103 | N1075-K1079 PolarHBondContact OD1-N 3.4Å; E1077-K1079 HydrophobicContact CB-CG 3.66Å; E1077-K1079 PolarHBondContact O-N 2.97Å; E1077-K1079 WeakPolarHBondContact OE2-CE 3.49Å; K1079-N1092 PolarHBondContact O-N 3Å; K1079-S1093 WeakPolarHBondContact CA-OG 3.25Å; K1079-S1093 PolarHBondContact O-N 2.82Å; K1079-P1094 PolarHBondContact NZ-O 2.85Å; K1079-L1095 HydrophobicContact CD-CD2 4Å; K1079-Y1103 HydrophobicContact CB-CE1 4.2Å; K1079-Y1103 WeakPolarHBondContact CD-OH 3.36Å; K1079-Y1103 VanDerWaalsContact CE-OH 3.25Å; K1079-Y1103 WeakPolarHBondContact CE-OH 3.47Å; K1079-Y1103 HydrophobicContact CG-CE1 3.84Å | ||
| 1080 | F | 95.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 141.9 | -177.1 | -53.4 | -80.1 | 0 | 0 | 0 | 112 | V1055 N1075 I1089 Y1090 V1091 L1095 Y1103 L1105 I1132 I1134 | V1055-F1080 HydrophobicContact CG2-CD1 3.91Å; V1055-F1080 HydrophobicContact CG2-CE1 3.91Å; N1075-F1080 PolarHBondContact ND2-O 2.85Å; N1075-F1080 PolarHBondContact OD1-N 2.69Å; F1080-I1089 HydrophobicContact CB-CG2 4.13Å; F1080-Y1090 CarbonylContact C-O 3.57Å; F1080-Y1090 VanDerWaalsContact CA-O 3.27Å; F1080-Y1090 WeakPolarHBondContact CA-O 3.47Å; F1080-V1091 HydrophobicContact CE1-CG2 4.5Å; F1080-L1095 HydrophobicContact CE1-CD1 4.38Å; F1080-L1095 HydrophobicContact CE1-CD2 3.96Å; F1080-L1095 HydrophobicContact CE2-CD2 4.48Å; F1080-L1095 HydrophobicContact CZ-CD2 3.68Å; F1080-Y1103 HydrophobicContact CE2-CD1 4.04Å; F1080-Y1103 AromaticContact CE2-CD2 3.77Å; F1080-Y1103 HydrophobicContact CE2-CD2 3.77Å; F1080-Y1103 HydrophobicContact CE2-CE2 4.3Å; F1080-Y1103 AromaticContact CE2-CG 3.63Å; F1080-Y1103 HydrophobicContact CE2-CG 3.63Å; F1080-Y1103 HydrophobicContact CZ-CD2 4.08Å; F1080-Y1103 HydrophobicContact CZ-CG 4.37Å; F1080-L1105 HydrophobicContact CB-CD1 4.04Å; F1080-L1105 HydrophobicContact CD2-CD1 4.2Å; F1080-L1105 HydrophobicContact CD2-CD2 4.09Å; F1080-L1105 HydrophobicContact CG-CD1 4.24Å; F1080-I1132 HydrophobicContact CD1-CD1 3.82Å; F1080-I1132 HydrophobicContact CD2-CD1 3.89Å; F1080-I1132 HydrophobicContact CE1-CD1 3.78Å; F1080-I1132 HydrophobicContact CE1-CG2 4Å; F1080-I1132 HydrophobicContact CE2-CD1 3.86Å; F1080-I1132 HydrophobicContact CG-CD1 3.86Å; F1080-I1132 HydrophobicContact CZ-CB 4.29Å; F1080-I1132 HydrophobicContact CZ-CD1 3.8Å; F1080-I1132 HydrophobicContact CZ-CG2 3.79Å; F1080-I1134 HydrophobicContact CZ-CD1 4.43Å |
| 1081 | G | 93.7 | Very high | 91.4 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 163.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1089 Y1090 | G1081-I1089 WeakPolarHBondContact O-CA 3.38Å; G1081-Y1090 PolarHBondContact N-O 2.85Å; G1081-Y1090 PolarHBondContact O-N 2.9Å |
| 1082 | I | 95.6 | Very high | 91.3 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 14% | 0.138 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 138.4 | 169.9 | -168.8 | 166.4 | 0 | 0 | 0 | 109.7 | I1058 I1071 N1084 V1088 I1089 | I1058-I1082 HydrophobicContact CD1-CD1 3.51Å; I1058-I1082 HydrophobicContact CG1-CD1 4.03Å; I1071-I1082 HydrophobicContact CD1-CB 3.98Å; I1071-I1082 HydrophobicContact CD1-CG2 4.04Å; I1071-I1082 HydrophobicContact CG1-CB 4.13Å; I1071-I1082 HydrophobicContact CG1-CG2 3.9Å; I1082-N1084 PolarHBondContact O-N 3.15Å; I1082-V1088 CarbonylContact C-O 3.59Å; I1082-V1088 WeakPolarHBondContact CA-O 3.49Å; I1082-I1089 HydrophobicContact CB-CG1 4.3Å; I1082-I1089 HydrophobicContact CD1-CD1 4.36Å; I1082-I1089 HydrophobicContact CD1-CG1 3.83Å; I1082-I1089 HydrophobicContact CG1-CG1 3.91Å |
| 1083 | N | 92.8 | Very high | 91.4 | Very high | 63 Ų | 63 | 45.6 Ų | 45.6 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | trans | -75.5 | 116.6 | 166.2 | -176.7 | -35.1 | 0 | 0 | 0 | 108 | V1085 T1086 G1087 V1088 | N1083-V1085 PolarHBondContact O-N 3.04Å; N1083-V1085 PolarHBondContact OD1-N 3.19Å; N1083-T1086 WeakPolarHBondContact CB-OG1 3.19Å; N1083-T1086 PolarHBondContact ND2-OG1 2.86Å; N1083-T1086 PolarHBondContact OD1-N 3.37Å; N1083-G1087 WeakPolarHBondContact O-CA 3.41Å; N1083-G1087 PolarHBondContact O-N 2.72Å; N1083-V1088 HydrophobicContact CB-CB 4.37Å; N1083-V1088 PolarHBondContact N-O 3.14Å | ||
| 1084 | N | 91.1 | Very high | 91.5 | Very high | 89 Ų | 89 | 47.7 Ų | 47.7 | 48% | 0.476 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -16.1 | -173.9 | 65.9 | -42.3 | 0 | 0 | 0 | 113.9 | V1068 Y1069 I1082 | V1068-N1084 CarbonylContact C-O 3.54Å; V1068-N1084 WeakPolarHBondContact CA-O 3.48Å; V1068-N1084 HydrophobicContact CG1-CB 4.26Å; Y1069-N1084 PolarHBondContact N-O 2.97Å; Y1069-N1084 WeakPolarHBondContact O-CA 3.26Å; Y1069-N1084 WeakPolarHBondContact O-CB 3.34Å; I1082-N1084 PolarHBondContact O-N 3.15Å |
| 1085 | V | 88.8 | Confident | 91.7 | Very high | 94 Ų | 94 | 47.8 Ų | 47.8 | 57% | 0.57 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -48.7 | 174.9 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | Y1069 N1083 | Y1069-V1085 WeakPolarHBondContact CE2-O 3.23Å; N1083-V1085 PolarHBondContact O-N 3.04Å; N1083-V1085 PolarHBondContact OD1-N 3.19Å |
| 1086 | T | 88.7 | Confident | 91.7 | Very high | 72 Ų | 72 | 49.3 Ų | 49.3 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -4.5 | -170.2 | 65.1 | 0 | 0 | 0 | 0 | 115.2 | V1057 N1083 V1088 | V1057-T1086 WeakPolarHBondContact CG2-O 3.46Å; N1083-T1086 WeakPolarHBondContact CB-OG1 3.19Å; N1083-T1086 PolarHBondContact ND2-OG1 2.86Å; N1083-T1086 PolarHBondContact OD1-N 3.37Å; T1086-V1088 PolarHBondContact O-N 2.91Å; T1086-V1088 VanDerWaalsContact O-N 3.13Å; T1086-V1088 WeakPolarHBondContact OG1-CG2 3.36Å |
| 1087 | G | 91.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | 68.8 | 7.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1058 Y1069 N1083 I1089 | I1058-G1087 WeakPolarHBondContact CG1-O 3.28Å; I1058-G1087 PolarHBondContact N-O 2.56Å; Y1069-G1087 VanDerWaalsContact CD2-CA 3.49Å; Y1069-G1087 VanDerWaalsContact CD2-N 3.35Å; N1083-G1087 WeakPolarHBondContact O-CA 3.41Å; N1083-G1087 PolarHBondContact O-N 2.72Å; G1087-I1089 PolarHBondContact O-N 3.37Å | ||
| 1088 | V | 94.3 | Very high | 92 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 120.4 | 180 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | V1054 V1057 I1082 N1083 T1086 | V1054-V1088 HydrophobicContact CB-CG1 4.34Å; V1054-V1088 HydrophobicContact CG1-CG1 3.72Å; V1054-V1088 HydrophobicContact CG2-CG1 3.75Å; V1057-V1088 HydrophobicContact CB-CG2 4.29Å; V1057-V1088 HydrophobicContact CG2-CG2 4.01Å; I1082-V1088 CarbonylContact C-O 3.59Å; I1082-V1088 WeakPolarHBondContact CA-O 3.49Å; N1083-V1088 HydrophobicContact CB-CB 4.37Å; N1083-V1088 PolarHBondContact N-O 3.14Å; T1086-V1088 PolarHBondContact O-N 2.91Å; T1086-V1088 VanDerWaalsContact O-N 3.13Å; T1086-V1088 WeakPolarHBondContact OG1-CG2 3.36Å |
| 1089 | I | 95.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 133.7 | 175.4 | -61.2 | 174.8 | 0 | 0 | 0 | 108.9 | V1055 G1056 I1058 F1080 G1081 I1082 G1087 L1105 V1107 V1130 I1132 | V1055-I1089 HydrophobicContact CB-CG2 4.27Å; V1055-I1089 PolarHBondContact N-O 3.22Å; G1056-I1089 PolarHBondContact N-O 3.14Å; G1056-I1089 PolarHBondContact O-N 2.9Å; I1058-I1089 HydrophobicContact CG2-CD1 3.91Å; F1080-I1089 HydrophobicContact CB-CG2 4.13Å; G1081-I1089 WeakPolarHBondContact O-CA 3.38Å; I1082-I1089 HydrophobicContact CB-CG1 4.3Å; I1082-I1089 HydrophobicContact CD1-CD1 4.36Å; I1082-I1089 HydrophobicContact CD1-CG1 3.83Å; I1082-I1089 HydrophobicContact CG1-CG1 3.91Å; G1087-I1089 PolarHBondContact O-N 3.37Å; I1089-L1105 HydrophobicContact CD1-CD1 4.5Å; I1089-L1105 HydrophobicContact CG2-CD1 4.29Å; I1089-V1107 HydrophobicContact CD1-CG1 4.37Å; I1089-V1130 HydrophobicContact CD1-CB 4.42Å; I1089-V1130 HydrophobicContact CD1-CG1 4.23Å; I1089-V1130 HydrophobicContact CD1-CG2 3.84Å; I1089-I1132 HydrophobicContact CG2-CD1 4.42Å |
| 1090 | Y | 94.2 | Very high | 91.7 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 31% | 0.314 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 157.4 | -175.8 | 61.3 | -91.6 | 0 | 0 | 0 | 112.6 | T1053 F1080 G1081 N1092 | T1053-Y1090 CarbonylContact O-C 3.59Å; T1053-Y1090 WeakPolarHBondContact O-CA 3.31Å; T1053-Y1090 WeakPolarHBondContact O-CB 3.45Å; F1080-Y1090 CarbonylContact C-O 3.57Å; F1080-Y1090 VanDerWaalsContact CA-O 3.27Å; F1080-Y1090 WeakPolarHBondContact CA-O 3.47Å; G1081-Y1090 PolarHBondContact N-O 2.85Å; G1081-Y1090 PolarHBondContact O-N 2.9Å; Y1090-N1092 PolarHBondContact O-N 3.2Å |
| 1091 | V | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 120 | 177 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | V1045 A1049 R1051 G1052 T1053 V1055 F1080 S1093 L1095 | V1045-V1091 HydrophobicContact CG1-CG2 4.26Å; A1049-V1091 HydrophobicContact CB-CG2 4.19Å; R1051-V1091 CarbonylContact C-O 3.58Å; R1051-V1091 WeakPolarHBondContact CA-O 3.43Å; G1052-V1091 PolarHBondContact N-O 2.88Å; T1053-V1091 PolarHBondContact O-N 3.45Å; V1055-V1091 HydrophobicContact CG2-CG2 3.83Å; F1080-V1091 HydrophobicContact CE1-CG2 4.5Å; V1091-S1093 WeakPolarHBondContact CG1-O 3.4Å; V1091-L1095 HydrophobicContact CG1-CD1 4.3Å; V1091-L1095 HydrophobicContact CG1-CG 4.11Å; V1091-L1095 HydrophobicContact CG2-CD1 3.84Å |
| 1092 | N | 92 | Very high | 91.5 | Very high | 49 Ų | 49 | 53 Ų | 53 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | trans | -97.2 | -38.7 | 179.1 | -171 | 20.3 | 0 | 0 | 0 | 112.3 | R1051 D1078 K1079 Y1090 | R1051-N1092 VanDerWaalsContact CD-O 3.23Å; R1051-N1092 WeakPolarHBondContact CD-O 3.02Å; R1051-N1092 WeakPolarHBondContact CG-O 3.45Å; R1051-N1092 PolarHBondContact NH1-O 3.48Å; D1078-N1092 PolarHBondContact OD1-ND2 3.25Å; D1078-N1092 PolarHBondContact OD2-ND2 3.38Å; K1079-N1092 PolarHBondContact O-N 3Å; Y1090-N1092 PolarHBondContact O-N 3.2Å | ||
| 1093 | S | 90.2 | Very high | 91.3 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -130.7 | 157.5 | 174 | 67 | 0 | 0 | 0 | 0 | 111.2 | D1078 K1079 V1091 | D1078-S1093 WeakPolarHBondContact O-CB 3.28Å; D1078-S1093 PolarHBondContact O-OG 2.81Å; K1079-S1093 WeakPolarHBondContact CA-OG 3.25Å; K1079-S1093 PolarHBondContact O-N 2.82Å; V1091-S1093 WeakPolarHBondContact CG1-O 3.4Å |
| 1094 | P | 89.2 | Confident | 91.4 | Very high | 77 Ų | 77 | 51.8 Ų | 51.8 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | trans | -57.5 | 142.6 | -172.4 | -26.1 | 35.9 | 0 | 0 | 0 | 113.5 | K1079 | K1079-P1094 PolarHBondContact NZ-O 2.85Š| ||
| 1095 | L | 91.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | trans | -88.9 | 162.9 | 173.4 | -56.1 | 172.7 | 0 | 0 | 0 | 108.9 | V1045 E1047 A1049 K1079 F1080 V1091 I1134 | V1045-L1095 HydrophobicContact CB-CD1 4.14Å; V1045-L1095 HydrophobicContact CG1-CD1 3.51Å; E1047-L1095 HydrophobicContact CB-CB 4.26Å; A1049-L1095 HydrophobicContact CB-CD1 4.43Å; K1079-L1095 HydrophobicContact CD-CD2 4Å; F1080-L1095 HydrophobicContact CE1-CD1 4.38Å; F1080-L1095 HydrophobicContact CE1-CD2 3.96Å; F1080-L1095 HydrophobicContact CE2-CD2 4.48Å; F1080-L1095 HydrophobicContact CZ-CD2 3.68Å; V1091-L1095 HydrophobicContact CG1-CD1 4.3Å; V1091-L1095 HydrophobicContact CG1-CG 4.11Å; V1091-L1095 HydrophobicContact CG2-CD1 3.84Å; L1095-I1134 HydrophobicContact CD1-CD1 4.07Å; L1095-I1134 HydrophobicContact CD2-CD1 4.11Å; L1095-I1134 HydrophobicContact CG-CD1 4.46Å | ||
| 1096 | D | 90.6 | Very high | 91.7 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | trans | -166.8 | 115.1 | -169.4 | 169.2 | -47.3 | 0 | 0 | 0 | 106 | E1098 T1099 R1100 | D1096-E1098 PolarHBondContact OD1-N 2.85Å; D1096-T1099 WeakPolarHBondContact CB-OG1 3.15Å; D1096-T1099 PolarHBondContact O-OG1 2.8Å; D1096-T1099 WeakPolarHBondContact OD1-CB 3.06Å; D1096-T1099 WeakPolarHBondContact OD1-CG2 3.34Å; D1096-T1099 PolarHBondContact OD1-N 2.85Å; D1096-T1099 PolarHBondContact OD1-OG1 3Å; D1096-R1100 PolarHBondContact O-N 2.9Å | ||
| 1097 | Y | 91.7 | Very high | 91.9 | Very high | 55 Ų | 55 | 47.1 Ų | 47.1 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -40.7 | -171.6 | -175.7 | -97.7 | 0 | 0 | 0 | 111.6 | E1047 T1099 R1100 T1101 I1134 D1136 T1173 | E1047-Y1097 WeakPolarHBondContact OE1-CB 3.4Å; E1047-Y1097 VanDerWaalsContact OE2-CB 3.31Å; E1047-Y1097 WeakPolarHBondContact OE2-CB 3.28Å; E1047-Y1097 PolarHBondContact OE2-N 2.9Å; Y1097-T1099 PolarHBondContact O-N 2.74Å; Y1097-R1100 PolarHBondContact O-N 2.97Å; Y1097-T1101 HydrophobicContact CD1-CG2 4.21Å; Y1097-T1101 HydrophobicContact CD2-CG2 3.79Å; Y1097-T1101 HydrophobicContact CE1-CG2 3.94Å; Y1097-T1101 HydrophobicContact CE2-CG2 3.52Å; Y1097-T1101 HydrophobicContact CG-CG2 4.12Å; Y1097-T1101 WeakPolarHBondContact O-CG2 3.48Å; Y1097-I1134 HydrophobicContact CD2-CB 4.11Å; Y1097-I1134 HydrophobicContact CD2-CG2 4.08Å; Y1097-I1134 WeakPolarHBondContact CD2-O 3.46Å; Y1097-I1134 VanDerWaalsContact CE2-O 3.31Å; Y1097-I1134 WeakPolarHBondContact CE2-O 3.27Å; Y1097-D1136 HydrophobicContact CD1-CB 3.88Å; Y1097-D1136 HydrophobicContact CD2-CB 4.02Å; Y1097-D1136 HydrophobicContact CE1-CB 3.77Å; Y1097-D1136 HydrophobicContact CE2-CB 3.9Å; Y1097-D1136 HydrophobicContact CG-CB 4.01Å; Y1097-T1173 HydrophobicContact CE1-CG2 3.76Å |
| 1098 | E | 89.4 | Confident | 91.8 | Very high | 74 Ų | 74 | 47.6 Ų | 47.6 | 35% | 0.346 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -34 | 175.2 | -85.5 | 59.6 | -120.3 | 0 | 0 | 113.6 | D1096 H1140 R1171 | D1096-E1098 PolarHBondContact OD1-N 2.85Å; E1098-H1140 IonicContact OE2-CE1 3.96Å; E1098-H1140 PolarHBondContact OE2-CE1 3.13Å; E1098-H1140 IonicContact OE2-ND1 3.71Å; E1098-R1171 HydrophobicContact CG-CB 4.2Å |
| 1099 | T | 87.6 | Confident | 91.6 | Very high | 96 Ų | 96 | 45.8 Ų | 45.8 | 59% | 0.589 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -46.1 | 179 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | D1096 Y1097 | D1096-T1099 WeakPolarHBondContact CB-OG1 3.15Å; D1096-T1099 PolarHBondContact O-OG1 2.8Å; D1096-T1099 WeakPolarHBondContact OD1-CB 3.06Å; D1096-T1099 WeakPolarHBondContact OD1-CG2 3.34Å; D1096-T1099 PolarHBondContact OD1-N 2.85Å; D1096-T1099 PolarHBondContact OD1-OG1 3Å; Y1097-T1099 PolarHBondContact O-N 2.74Å |
| 1100 | R | 88.4 | Confident | 91.2 | Very high | 75 Ų | 75 | 46 Ų | 46 | 28% | 0.283 | 24% | 0.235 | S | C | . | . | trans | -158.6 | 95.8 | -173.9 | -171.8 | 162.9 | 171.1 | -176.3 | -1.3 | 114.1 | E1077 D1096 Y1097 S1102 Y1103 I1134 | E1077-R1100 WeakPolarHBondContact OE1-CD 3.34Å; E1077-R1100 IonicContact OE1-CZ 2.68Å; E1077-R1100 IonicContact OE1-NE 3.9Å; E1077-R1100 IonicContact OE1-NH1 3.67Å; E1077-R1100 PolarHBondContact OE1-NH1 3.38Å; D1096-R1100 PolarHBondContact O-N 2.9Å; Y1097-R1100 PolarHBondContact O-N 2.97Å; R1100-S1102 WeakPolarHBondContact CG-O 3.21Å; R1100-S1102 PolarHBondContact NE-O 3.18Å; R1100-S1102 PolarHBondContact O-N 2.73Å; R1100-S1102 VanDerWaalsContact O-N 3.14Å; R1100-Y1103 HydrophobicContact CB-CE2 4.18Å; R1100-Y1103 VanDerWaalsContact CD-CZ 3.49Å; R1100-Y1103 HydrophobicContact CG-CD2 4.39Å; R1100-Y1103 HydrophobicContact CG-CE1 4.3Å; R1100-Y1103 HydrophobicContact CG-CE2 3.83Å; R1100-Y1103 VanDerWaalsContact CZ-CD1 3.42Å; R1100-Y1103 VanDerWaalsContact CZ-CE1 3.49Å; R1100-I1134 WeakPolarHBondContact O-CG1 3.22Å | ||
| 1101 | T | 90.9 | Very high | 90.7 | Very high | 66 Ų | 66 | 42.2 Ų | 42.2 | 41% | 0.405 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -65 | -12.9 | 179.3 | 65.3 | 0 | 0 | 0 | 0 | 116.2 | Y1097 I1134 | Y1097-T1101 HydrophobicContact CD1-CG2 4.21Å; Y1097-T1101 HydrophobicContact CD2-CG2 3.79Å; Y1097-T1101 HydrophobicContact CE1-CG2 3.94Å; Y1097-T1101 HydrophobicContact CE2-CG2 3.52Å; Y1097-T1101 HydrophobicContact CG-CG2 4.12Å; Y1097-T1101 WeakPolarHBondContact O-CG2 3.48Å; T1101-I1134 PolarHBondContact O-N 2.77Å |
| 1102 | S | 92.4 | Very high | 90 | Very high | 58 Ų | 58 | 45.5 Ų | 45.5 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 149.8 | -179.5 | 56.2 | 0 | 0 | 0 | 0 | 116 | R1100 I1132 | R1100-S1102 WeakPolarHBondContact CG-O 3.21Å; R1100-S1102 PolarHBondContact NE-O 3.18Å; R1100-S1102 PolarHBondContact O-N 2.73Å; R1100-S1102 VanDerWaalsContact O-N 3.14Å; S1102-I1132 VanDerWaalsContact CA-O 3.32Å; S1102-I1132 WeakPolarHBondContact CA-O 3.16Å |
| 1103 | Y | 92.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.1 | 176.8 | -66.7 | -99 | 0 | 0 | 0 | 110.7 | E1077 K1079 F1080 R1100 Y1131 I1132 I1134 | E1077-Y1103 WeakPolarHBondContact OE2-CE1 3.35Å; E1077-Y1103 PolarHBondContact OE2-OH 2.79Å; K1079-Y1103 HydrophobicContact CB-CE1 4.2Å; K1079-Y1103 WeakPolarHBondContact CD-OH 3.36Å; K1079-Y1103 VanDerWaalsContact CE-OH 3.25Å; K1079-Y1103 WeakPolarHBondContact CE-OH 3.47Å; K1079-Y1103 HydrophobicContact CG-CE1 3.84Å; F1080-Y1103 HydrophobicContact CE2-CD1 4.04Å; F1080-Y1103 AromaticContact CE2-CD2 3.77Å; F1080-Y1103 HydrophobicContact CE2-CD2 3.77Å; F1080-Y1103 HydrophobicContact CE2-CE2 4.3Å; F1080-Y1103 AromaticContact CE2-CG 3.63Å; F1080-Y1103 HydrophobicContact CE2-CG 3.63Å; F1080-Y1103 HydrophobicContact CZ-CD2 4.08Å; F1080-Y1103 HydrophobicContact CZ-CG 4.37Å; R1100-Y1103 HydrophobicContact CB-CE2 4.18Å; R1100-Y1103 VanDerWaalsContact CD-CZ 3.49Å; R1100-Y1103 HydrophobicContact CG-CD2 4.39Å; R1100-Y1103 HydrophobicContact CG-CE1 4.3Å; R1100-Y1103 HydrophobicContact CG-CE2 3.83Å; R1100-Y1103 VanDerWaalsContact CZ-CD1 3.42Å; R1100-Y1103 VanDerWaalsContact CZ-CE1 3.49Å; Y1103-Y1131 WeakPolarHBondContact O-CA 3.38Å; Y1103-I1132 PolarHBondContact N-O 3.3Å; Y1103-I1132 PolarHBondContact O-N 3.13Å; Y1103-I1134 HydrophobicContact CD2-CD1 4.24Å; Y1103-I1134 HydrophobicContact CD2-CG1 4.45Å; Y1103-I1134 HydrophobicContact CE2-CD1 4.34Å; Y1103-I1134 HydrophobicContact CE2-CG1 4.39Å |
| 1104 | V | 94.4 | Very high | 88.6 | Confident | 60 Ų | 60 | 48.2 Ų | 48.2 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 84.8 | 179.1 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | K1129 V1130 Y1131 | V1104-K1129 HydrophobicContact CG1-CD 4.46Å; V1104-V1130 CarbonylContact C-O 3.52Å; V1104-V1130 WeakPolarHBondContact CA-O 3.4Å; V1104-Y1131 HydrophobicContact CB-CD1 4.48Å; V1104-Y1131 HydrophobicContact CG1-CD1 4.08Å; V1104-Y1131 HydrophobicContact CG1-CE1 3.82Å; V1104-Y1131 HydrophobicContact CG2-CD1 3.72Å; V1104-Y1131 HydrophobicContact CG2-CE1 3.92Å |
| 1105 | L | 94.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 141.3 | 178.9 | -50.4 | -170.4 | 0 | 0 | 0 | 109.5 | I1071 G1074 N1075 F1080 I1089 V1107 K1129 V1130 I1132 | I1071-L1105 HydrophobicContact CD1-CD1 4.07Å; I1071-L1105 HydrophobicContact CG1-CD1 4.39Å; G1074-L1105 VanDerWaalsContact O-CD2 3.26Å; G1074-L1105 WeakPolarHBondContact O-CD2 3.36Å; N1075-L1105 HydrophobicContact CB-CD2 4.01Å; F1080-L1105 HydrophobicContact CB-CD1 4.04Å; F1080-L1105 HydrophobicContact CD2-CD1 4.2Å; F1080-L1105 HydrophobicContact CD2-CD2 4.09Å; F1080-L1105 HydrophobicContact CG-CD1 4.24Å; I1089-L1105 HydrophobicContact CD1-CD1 4.5Å; I1089-L1105 HydrophobicContact CG2-CD1 4.29Å; L1105-V1107 HydrophobicContact CB-CG1 4.48Å; L1105-K1129 CarbonylContact O-C 3.49Å; L1105-K1129 VanDerWaalsContact O-CA 3.28Å; L1105-K1129 WeakPolarHBondContact O-CA 3.23Å; L1105-V1130 HydrophobicContact CB-CB 4.19Å; L1105-V1130 PolarHBondContact N-O 3.32Å; L1105-V1130 PolarHBondContact O-N 3.44Å; L1105-I1132 HydrophobicContact CD1-CD1 3.6Å; L1105-I1132 HydrophobicContact CG-CD1 3.92Å |
| 1106 | R | 91.8 | Very high | 87.3 | Confident | 157 Ų | 157 | 52.2 Ų | 52.2 | 59% | 0.592 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125.9 | 161.9 | -62.7 | -173.7 | -171.2 | 164.8 | 3.3 | 108.1 | V1072 A1073 | V1072-R1106 HydrophobicContact CG2-CB 3.84Å; V1072-R1106 WeakPolarHBondContact CG2-O 3.34Å; V1072-R1106 PolarHBondContact N-O 2.68Å; A1073-R1106 HydrophobicContact CB-CB 4.21Å; A1073-R1106 HydrophobicContact CB-CG 4.38Å; A1073-R1106 PolarHBondContact O-N 2.98Å |
| 1107 | V | 92.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 141.4 | -178.1 | -67.9 | 0 | 0 | 0 | 0 | 109.8 | F1035 I1058 S1070 I1071 I1089 L1105 T1127 A1128 V1130 | F1035-V1107 HydrophobicContact CE1-CG2 4.44Å; F1035-V1107 HydrophobicContact CE2-CG2 4.32Å; F1035-V1107 HydrophobicContact CZ-CB 4.36Å; F1035-V1107 HydrophobicContact CZ-CG2 3.91Å; I1058-V1107 HydrophobicContact CD1-CB 3.56Å; I1058-V1107 HydrophobicContact CD1-CG1 3.88Å; I1058-V1107 HydrophobicContact CD1-CG2 3.56Å; S1070-V1107 CarbonylContact O-C 3.5Å; S1070-V1107 VanDerWaalsContact O-CA 3.27Å; S1070-V1107 WeakPolarHBondContact O-CA 3.31Å; I1071-V1107 HydrophobicContact CG1-CG1 4.02Å; I1089-V1107 HydrophobicContact CD1-CG1 4.37Å; L1105-V1107 HydrophobicContact CB-CG1 4.48Å; V1107-T1127 WeakPolarHBondContact O-CA 3.22Å; V1107-A1128 HydrophobicContact CG2-CB 3.96Å; V1107-A1128 WeakPolarHBondContact CG2-O 3.3Å; V1107-A1128 PolarHBondContact N-O 2.97Å; V1107-A1128 PolarHBondContact O-N 3.16Å; V1107-V1130 HydrophobicContact CG1-CG2 3.97Å; V1107-V1130 HydrophobicContact CG2-CG2 3.85Å |
| 1108 | Q | 89.8 | Confident | 85.5 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 137.7 | 177.7 | -178 | 169.1 | -11.2 | 0 | 0 | 109.5 | S1070 V1072 D1110 N1126 T1127 | S1070-Q1108 PolarHBondContact N-O 2.94Å; S1070-Q1108 PolarHBondContact O-N 2.89Å; V1072-Q1108 HydrophobicContact CG1-CB 3.74Å; V1072-Q1108 HydrophobicContact CG2-CB 4.46Å; Q1108-D1110 VanDerWaalsContact NE2-CG 3.27Å; Q1108-D1110 PolarHBondContact NE2-OD1 2.84Å; Q1108-D1110 PolarHBondContact NE2-OD2 3.46Å; Q1108-N1126 WeakPolarHBondContact CA-O 3.23Å; Q1108-T1127 HydrophobicContact CB-CG2 4.34Å; Q1108-T1127 HydrophobicContact CG-CG2 4.23Å |
| 1109 | A | 90.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 111.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | P1033 F1035 A1060 I1067 Y1069 N1126 | P1033-A1109 HydrophobicContact CB-CB 3.9Å; P1033-A1109 WeakPolarHBondContact CG-O 3.09Å; F1035-A1109 HydrophobicContact CE1-CB 3.99Å; F1035-A1109 HydrophobicContact CE2-CB 3.98Å; F1035-A1109 HydrophobicContact CZ-CB 3.6Å; A1060-A1109 HydrophobicContact CB-CB 3.62Å; I1067-A1109 HydrophobicContact CG2-CB 3.72Å; Y1069-A1109 HydrophobicContact CD1-CB 4.12Å; Y1069-A1109 HydrophobicContact CE1-CB 4.17Å; A1109-N1126 PolarHBondContact N-O 3.19Å; A1109-N1126 VanDerWaalsContact O-CB 3.29Å; A1109-N1126 WeakPolarHBondContact O-CB 3.42Å; A1109-N1126 PolarHBondContact O-ND2 3.42Å |
| 1110 | D | 85.3 | Confident | 83.7 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 144.9 | 171 | -68.8 | -52.8 | 0 | 0 | 0 | 108.2 | V1068 Q1108 V1114 V1115 N1126 | V1068-D1110 PolarHBondContact N-O 3.43Å; V1068-D1110 PolarHBondContact O-N 2.64Å; Q1108-D1110 VanDerWaalsContact NE2-CG 3.27Å; Q1108-D1110 PolarHBondContact NE2-OD1 2.84Å; Q1108-D1110 PolarHBondContact NE2-OD2 3.46Å; D1110-V1114 HydrophobicContact CB-CG1 4.31Å; D1110-V1115 HydrophobicContact CB-CG2 3.68Å; D1110-N1126 PolarHBondContact OD1-ND2 3.1Å |
| 1111 | S | 84.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 153.1 | 174.9 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | Q1065 S1066 E1113 V1114 V1115 | Q1065-S1111 PolarHBondContact OE1-OG 2.04Å; S1066-S1111 CarbonylContact O-C 3.56Å; S1066-S1111 WeakPolarHBondContact O-CA 3.4Å; S1111-E1113 PolarHBondContact O-N 2.83Å; S1111-V1114 WeakPolarHBondContact O-CB 3.02Å; S1111-V1114 PolarHBondContact O-N 2.79Å; S1111-V1114 VanDerWaalsContact OG-CG2 3.29Å; S1111-V1114 WeakPolarHBondContact OG-CG2 3.34Å; S1111-V1115 PolarHBondContact O-N 2.87Å; S1111-V1115 VanDerWaalsContact O-N 3.07Å |
| 1112 | L | 80.2 | Confident | 81.9 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.4 | -35.5 | -173.7 | -178.6 | 60.8 | 0 | 0 | 0 | 112.5 | S1066 V1068 V1115 L1116 | S1066-L1112 PolarHBondContact O-N 2.84Å; S1066-L1112 WeakPolarHBondContact OG-CB 3.18Å; S1066-L1112 WeakPolarHBondContact OG-CD2 3.49Å; V1068-L1112 HydrophobicContact CG2-CB 4.42Å; V1068-L1112 HydrophobicContact CG2-CD1 4.01Å; L1112-V1115 PolarHBondContact O-N 3.49Å; L1112-L1116 HydrophobicContact CD1-CD1 4.22Å; L1112-L1116 HydrophobicContact CD1-CG 4.1Å; L1112-L1116 HydrophobicContact CD2-CD1 4.48Å; L1112-L1116 HydrophobicContact CG-CD1 3.87Å; L1112-L1116 HydrophobicContact CG-CG 4.23Å; L1112-L1116 VanDerWaalsContact O-CB 3.3Å; L1112-L1116 WeakPolarHBondContact O-CB 3.29Å; L1112-L1116 WeakPolarHBondContact O-CG 3.42Å; L1112-L1116 PolarHBondContact O-N 3.3Å |
| 1113 | E | 76.1 | Confident | 81.1 | Confident | 120 Ų | 120 | 49.2 Ų | 49.2 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.9 | -43.1 | 173.9 | -68.3 | 177.7 | -135.8 | 0 | 0 | 112.9 | Q1065 S1111 V1115 L1116 A1117 | Q1065-E1113 PolarHBondContact NE2-OE1 3.31Å; Q1065-E1113 PolarHBondContact NE2-OE2 2.74Å; S1111-E1113 PolarHBondContact O-N 2.83Å; E1113-V1115 VanDerWaalsContact C-N 3.35Å; E1113-L1116 PolarHBondContact O-N 2.8Å; E1113-A1117 WeakPolarHBondContact O-CB 3.21Å; E1113-A1117 PolarHBondContact O-N 2.85Å |
| 1114 | V | 76.7 | Confident | 80.2 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 178.1 | 175 | 0 | 0 | 0 | 0 | 110.2 | M934 D1110 S1111 A1117 N1118 L1119 V1121 | M934-V1114 HydrophobicContact CE-CB 4.06Å; M934-V1114 HydrophobicContact CE-CG1 3.9Å; M934-V1114 HydrophobicContact CE-CG2 3.7Å; D1110-V1114 HydrophobicContact CB-CG1 4.31Å; S1111-V1114 WeakPolarHBondContact O-CB 3.02Å; S1111-V1114 PolarHBondContact O-N 2.79Å; S1111-V1114 VanDerWaalsContact OG-CG2 3.29Å; S1111-V1114 WeakPolarHBondContact OG-CG2 3.34Å; V1114-A1117 PolarHBondContact O-N 3.48Å; V1114-N1118 PolarHBondContact O-N 2.76Å; V1114-L1119 HydrophobicContact CG1-CB 4.47Å; V1114-L1119 WeakPolarHBondContact CG1-O 3.37Å; V1114-L1119 PolarHBondContact O-N 3.29Å; V1114-L1119 VanDerWaalsContact O-N 3.08Å; V1114-V1121 HydrophobicContact CG1-CG2 4.05Å |
| 1115 | V | 78.2 | Confident | 79.4 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 176.7 | 177.8 | 0 | 0 | 0 | 0 | 111.9 | V1068 D1110 S1111 L1112 E1113 A1117 N1118 | V1068-V1115 HydrophobicContact CB-CG2 3.95Å; V1068-V1115 HydrophobicContact CG1-CG2 4.34Å; V1068-V1115 HydrophobicContact CG2-CB 4.4Å; V1068-V1115 HydrophobicContact CG2-CG2 4.07Å; D1110-V1115 HydrophobicContact CB-CG2 3.68Å; S1111-V1115 PolarHBondContact O-N 2.87Å; S1111-V1115 VanDerWaalsContact O-N 3.07Å; L1112-V1115 PolarHBondContact O-N 3.49Å; E1113-V1115 VanDerWaalsContact C-N 3.35Å; V1115-A1117 PolarHBondContact O-N 2.91Å; V1115-N1118 WeakPolarHBondContact O-CA 3.18Å; V1115-N1118 PolarHBondContact O-N 3.28Å |
| 1116 | L | 75.6 | Confident | 79.1 | Confident | 122 Ų | 122 | 54.6 Ų | 54.6 | 64% | 0.639 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.3 | -27.4 | 175.7 | -74.3 | 172.3 | 0 | 0 | 0 | 112.7 | L1112 E1113 N1118 | L1112-L1116 HydrophobicContact CD1-CD1 4.22Å; L1112-L1116 HydrophobicContact CD1-CG 4.1Å; L1112-L1116 HydrophobicContact CD2-CD1 4.48Å; L1112-L1116 HydrophobicContact CG-CD1 3.87Å; L1112-L1116 HydrophobicContact CG-CG 4.23Å; L1112-L1116 VanDerWaalsContact O-CB 3.3Å; L1112-L1116 WeakPolarHBondContact O-CB 3.29Å; L1112-L1116 WeakPolarHBondContact O-CG 3.42Å; L1112-L1116 PolarHBondContact O-N 3.3Å; E1113-L1116 PolarHBondContact O-N 2.8Å; L1116-N1118 PolarHBondContact O-N 3.34Å |
| 1117 | A | 70 | Confident | 78.8 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1113 V1114 V1115 L1119 | E1113-A1117 WeakPolarHBondContact O-CB 3.21Å; E1113-A1117 PolarHBondContact O-N 2.85Å; V1114-A1117 PolarHBondContact O-N 3.48Å; V1115-A1117 PolarHBondContact O-N 2.91Å; A1117-L1119 HydrophobicContact CB-CB 4.43Å; A1117-L1119 HydrophobicContact CB-CD1 4.18Å; A1117-L1119 HydrophobicContact CB-CG 4.26Å; A1117-L1119 PolarHBondContact O-N 3.05Å |
| 1118 | N | 73.9 | Confident | 78.7 | Confident | 151 Ų | 151 | 49.8 Ų | 49.8 | 81% | 0.807 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 36 | -167.6 | -69.8 | -57.1 | 0 | 0 | 0 | 113.1 | V1114 V1115 L1116 | V1114-N1118 PolarHBondContact O-N 2.76Å; V1115-N1118 WeakPolarHBondContact O-CA 3.18Å; V1115-N1118 PolarHBondContact O-N 3.28Å; L1116-N1118 PolarHBondContact O-N 3.34Å |
| 1119 | L | 70.2 | Confident | 78.9 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | trans | -109.9 | 167.1 | 173.2 | -67.5 | 173.1 | 0 | 0 | 0 | 109.4 | K932 M934 V1114 A1117 | K932-L1119 HydrophobicContact CB-CD1 4.39Å; M934-L1119 HydrophobicContact CE-CB 3.81Å; M934-L1119 HydrophobicContact CE-CD1 3.74Å; M934-L1119 HydrophobicContact CE-CG 4.41Å; M934-L1119 HydrophobicContact CG-CD1 4.23Å; M934-L1119 HydrophobicContact SD-CD1 4.48Å; V1114-L1119 HydrophobicContact CG1-CB 4.47Å; V1114-L1119 WeakPolarHBondContact CG1-O 3.37Å; V1114-L1119 PolarHBondContact O-N 3.29Å; V1114-L1119 VanDerWaalsContact O-N 3.08Å; A1117-L1119 HydrophobicContact CB-CB 4.43Å; A1117-L1119 HydrophobicContact CB-CD1 4.18Å; A1117-L1119 HydrophobicContact CB-CG 4.26Å; A1117-L1119 PolarHBondContact O-N 3.05Å | ||
| 1120 | R | 69.6 | Low | 79.1 | Confident | 153 Ų | 153 | 53.2 Ų | 53.2 | 58% | 0.577 | 28% | 0.276 | S | S | * | . | trans | -136.4 | 144.8 | 169.5 | -63.5 | -170.8 | -171.4 | -163.8 | 1.5 | 107.5 | ||||
| 1121 | V | 71.4 | Confident | 79.5 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | trans | -126.4 | 85.6 | 179.1 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | M934 A936 L1027 V1114 S1123 N1126 | M934-V1121 HydrophobicContact CB-CG2 3.53Å; M934-V1121 HydrophobicContact CE-CG2 4.12Å; A936-V1121 HydrophobicContact CB-CG1 4.21Å; L1027-V1121 HydrophobicContact CD1-CB 4.35Å; L1027-V1121 HydrophobicContact CD1-CG1 4.13Å; L1027-V1121 HydrophobicContact CD1-CG2 4Å; V1114-V1121 HydrophobicContact CG1-CG2 4.05Å; V1121-S1123 PolarHBondContact O-N 3.46Å; V1121-N1126 PolarHBondContact O-ND2 3.4Å; V1121-N1126 PolarHBondContact O-OD1 2.84Å | ||
| 1122 | P | 70.2 | Confident | 80 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 21% | 0.208 | 28% | 0.283 | C | S | . | . | trans | -69.3 | 116.6 | 178.4 | -15.2 | 30.2 | 0 | 0 | 0 | 110.7 | T943 P944 | T943-P1122 HydrophobicContact CG2-CB 4.06Å; T943-P1122 HydrophobicContact CG2-CG 4.05Å; P944-P1122 HydrophobicContact CG-CG 4.4Å | ||
| 1123 | S | 75.8 | Confident | 80.6 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | trans | -124.7 | 166.2 | 168.8 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | D938 V1121 S1125 N1126 T1127 | D938-S1123 PolarHBondContact OD1-OG 3.04Å; D938-S1123 PolarHBondContact OD2-OG 2.87Å; V1121-S1123 PolarHBondContact O-N 3.46Å; S1123-S1125 PolarHBondContact O-N 3.11Å; S1123-S1125 PolarHBondContact OG-N 3.29Å; S1123-S1125 VanDerWaalsContact OG-N 3.15Å; S1123-N1126 PolarHBondContact N-OD1 2.98Å; S1123-N1126 PolarHBondContact O-OD1 3.15Å; S1123-N1126 VanDerWaalsContact O-OD1 3.12Å; S1123-T1127 PolarHBondContact O-N 3.41Å; S1123-T1127 PolarHBondContact O-OG1 2.75Å | ||
| 1124 | K | 74.2 | Confident | 81.4 | Confident | 133 Ų | 133 | 51.3 Ų | 51.3 | 58% | 0.578 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -62.7 | -30.2 | 164.4 | -71.3 | -172.3 | 172.9 | -168.9 | 0 | 112.2 | N1126 | K1124-N1126 PolarHBondContact O-N 3.24Š|
| 1125 | S | 78 | Confident | 82.1 | Confident | 43 Ų | 43 | 54.9 Ų | 54.9 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -35.7 | -175.6 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | P1033 R1034 F1035 S1123 | P1033-S1125 CarbonylContact O-C 3.53Å; R1034-S1125 WeakPolarHBondContact CA-O 3.2Å; F1035-S1125 PolarHBondContact N-O 2.93Å; F1035-S1125 VanDerWaalsContact N-O 3.17Å; S1123-S1125 PolarHBondContact O-N 3.11Å; S1123-S1125 PolarHBondContact OG-N 3.29Å; S1123-S1125 VanDerWaalsContact OG-N 3.15Å |
| 1126 | N | 86.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 11.2 | -172.2 | 88 | -42.3 | 0 | 0 | 0 | 114.5 | I1032 P1033 F1035 Q1108 A1109 D1110 V1121 S1123 K1124 | I1032-N1126 HydrophobicContact CG2-CB 3.92Å; P1033-N1126 HydrophobicContact CB-CB 4.42Å; P1033-N1126 WeakPolarHBondContact O-CA 3.39Å; P1033-N1126 WeakPolarHBondContact O-CB 3.48Å; P1033-N1126 PolarHBondContact O-N 2.86Å; F1035-N1126 VanDerWaalsContact CE2-O 3.27Å; F1035-N1126 WeakPolarHBondContact CE2-O 3.49Å; Q1108-N1126 WeakPolarHBondContact CA-O 3.23Å; A1109-N1126 PolarHBondContact N-O 3.19Å; A1109-N1126 VanDerWaalsContact O-CB 3.29Å; A1109-N1126 WeakPolarHBondContact O-CB 3.42Å; A1109-N1126 PolarHBondContact O-ND2 3.42Å; D1110-N1126 PolarHBondContact OD1-ND2 3.1Å; V1121-N1126 PolarHBondContact O-ND2 3.4Å; V1121-N1126 PolarHBondContact O-OD1 2.84Å; S1123-N1126 PolarHBondContact N-OD1 2.98Å; S1123-N1126 PolarHBondContact O-OD1 3.15Å; S1123-N1126 VanDerWaalsContact O-OD1 3.12Å; K1124-N1126 PolarHBondContact O-N 3.24Å |
| 1127 | T | 87.3 | Confident | 83.4 | Confident | 50 Ų | 50 | 49.4 Ų | 49.4 | 31% | 0.307 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.9 | 170.1 | 57 | 0 | 0 | 0 | 0 | 109.8 | V1107 Q1108 S1123 | V1107-T1127 WeakPolarHBondContact O-CA 3.22Å; Q1108-T1127 HydrophobicContact CB-CG2 4.34Å; Q1108-T1127 HydrophobicContact CG-CG2 4.23Å; S1123-T1127 PolarHBondContact O-N 3.41Å; S1123-T1127 PolarHBondContact O-OG1 2.75Å |
| 1128 | A | 90.2 | Very high | 84.4 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 165.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F1035 E1038 Y1040 V1107 | F1035-A1128 HydrophobicContact CB-CB 4.21Å; F1035-A1128 HydrophobicContact CD1-CB 4.41Å; F1035-A1128 HydrophobicContact CD2-CB 3.41Å; F1035-A1128 VanDerWaalsContact CD2-CB 3.41Å; F1035-A1128 HydrophobicContact CE2-CB 3.75Å; F1035-A1128 HydrophobicContact CG-CB 3.78Å; F1035-A1128 HydrophobicContact CZ-CB 4.4Å; E1038-A1128 WeakPolarHBondContact O-CA 3.09Å; E1038-A1128 WeakPolarHBondContact O-CB 3.49Å; Y1040-A1128 HydrophobicContact CD2-CB 4.14Å; Y1040-A1128 HydrophobicContact CE2-CB 3.93Å; V1107-A1128 HydrophobicContact CG2-CB 3.96Å; V1107-A1128 WeakPolarHBondContact CG2-O 3.3Å; V1107-A1128 PolarHBondContact N-O 2.97Å; V1107-A1128 PolarHBondContact O-N 3.16Å |
| 1129 | K | 93.2 | Very high | 85.2 | Confident | 81 Ų | 81 | 45 Ų | 45 | 35% | 0.352 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 148.2 | 170.6 | -56.5 | 178.2 | -150.3 | 152.3 | 0 | 110.4 | E1038 E1039 Y1040 V1104 L1105 Y1131 | E1038-K1129 PolarHBondContact O-N 3.45Å; E1039-K1129 WeakPolarHBondContact CA-O 3.44Å; E1039-K1129 WeakPolarHBondContact OE1-CD 3.47Å; E1039-K1129 IonicContact OE1-NZ 2.91Å; E1039-K1129 PolarHBondContact OE1-NZ 2.67Å; Y1040-K1129 PolarHBondContact N-O 3.13Å; V1104-K1129 HydrophobicContact CG1-CD 4.46Å; L1105-K1129 CarbonylContact O-C 3.49Å; L1105-K1129 VanDerWaalsContact O-CA 3.28Å; L1105-K1129 WeakPolarHBondContact O-CA 3.23Å; K1129-Y1131 HydrophobicContact CB-CD2 4.4Å; K1129-Y1131 HydrophobicContact CB-CE2 3.82Å; K1129-Y1131 HydrophobicContact CD-CE2 4.02Å; K1129-Y1131 WeakPolarHBondContact CD-OH 3.39Å; K1129-Y1131 PolarHBondContact NZ-OH 3.09Å |
| 1130 | V | 94.5 | Very high | 86.1 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 115.3 | 168.2 | -167.1 | 0 | 0 | 0 | 0 | 108 | Y1040 P1042 I1058 I1089 V1104 L1105 V1107 I1132 | Y1040-V1130 HydrophobicContact CD2-CG2 4.44Å; Y1040-V1130 WeakPolarHBondContact O-CA 3.44Å; P1042-V1130 HydrophobicContact CG-CG1 3.95Å; I1058-V1130 HydrophobicContact CG2-CG2 3.87Å; I1089-V1130 HydrophobicContact CD1-CB 4.42Å; I1089-V1130 HydrophobicContact CD1-CG1 4.23Å; I1089-V1130 HydrophobicContact CD1-CG2 3.84Å; V1104-V1130 CarbonylContact C-O 3.52Å; V1104-V1130 WeakPolarHBondContact CA-O 3.4Å; L1105-V1130 HydrophobicContact CB-CB 4.19Å; L1105-V1130 PolarHBondContact N-O 3.32Å; L1105-V1130 PolarHBondContact O-N 3.44Å; V1107-V1130 HydrophobicContact CG1-CG2 3.97Å; V1107-V1130 HydrophobicContact CG2-CG2 3.85Å; V1130-I1132 HydrophobicContact CG1-CG1 3.99Å |
| 1131 | Y | 94.4 | Very high | 87.1 | Confident | 50 Ų | 50 | 41.8 Ų | 41.8 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 109.4 | 174 | -62.2 | -99.4 | 0 | 0 | 0 | 107.8 | E1039 Y1040 R1041 P1042 Y1103 V1104 K1129 | E1039-Y1131 HydrophobicContact CB-CD2 4.44Å; E1039-Y1131 HydrophobicContact CB-CE2 3.97Å; E1039-Y1131 VanDerWaalsContact CD-OH 3.3Å; E1039-Y1131 HydrophobicContact CG-CE2 3.94Å; E1039-Y1131 WeakPolarHBondContact OE1-CE2 3.49Å; E1039-Y1131 PolarHBondContact OE1-OH 3.12Å; E1039-Y1131 WeakPolarHBondContact OE2-CE2 3.43Å; E1039-Y1131 PolarHBondContact OE2-OH 3.29Å; Y1040-Y1131 PolarHBondContact O-N 2.96Å; R1041-Y1131 HydrophobicContact CG-CD2 4.42Å; P1042-Y1131 WeakPolarHBondContact CD-O 3.38Å; Y1103-Y1131 WeakPolarHBondContact O-CA 3.38Å; V1104-Y1131 HydrophobicContact CB-CD1 4.48Å; V1104-Y1131 HydrophobicContact CG1-CD1 4.08Å; V1104-Y1131 HydrophobicContact CG1-CE1 3.82Å; V1104-Y1131 HydrophobicContact CG2-CD1 3.72Å; V1104-Y1131 HydrophobicContact CG2-CE1 3.92Å; K1129-Y1131 HydrophobicContact CB-CD2 4.4Å; K1129-Y1131 HydrophobicContact CB-CE2 3.82Å; K1129-Y1131 HydrophobicContact CD-CE2 4.02Å; K1129-Y1131 WeakPolarHBondContact CD-OH 3.39Å; K1129-Y1131 PolarHBondContact NZ-OH 3.09Å |
| 1132 | I | 93.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 114.8 | 176.9 | -54.8 | 170.6 | 0 | 0 | 0 | 106.8 | P1042 V1045 V1055 F1080 I1089 S1102 Y1103 L1105 V1130 I1134 | P1042-I1132 HydrophobicContact CG-CG1 4.16Å; V1045-I1132 HydrophobicContact CG2-CG2 3.78Å; V1055-I1132 HydrophobicContact CG1-CD1 3.97Å; V1055-I1132 HydrophobicContact CG1-CG1 3.98Å; V1055-I1132 HydrophobicContact CG1-CG2 3.89Å; F1080-I1132 HydrophobicContact CD1-CD1 3.82Å; F1080-I1132 HydrophobicContact CD2-CD1 3.89Å; F1080-I1132 HydrophobicContact CE1-CD1 3.78Å; F1080-I1132 HydrophobicContact CE1-CG2 4Å; F1080-I1132 HydrophobicContact CE2-CD1 3.86Å; F1080-I1132 HydrophobicContact CG-CD1 3.86Å; F1080-I1132 HydrophobicContact CZ-CB 4.29Å; F1080-I1132 HydrophobicContact CZ-CD1 3.8Å; F1080-I1132 HydrophobicContact CZ-CG2 3.79Å; I1089-I1132 HydrophobicContact CG2-CD1 4.42Å; S1102-I1132 VanDerWaalsContact CA-O 3.32Å; S1102-I1132 WeakPolarHBondContact CA-O 3.16Å; Y1103-I1132 PolarHBondContact N-O 3.3Å; Y1103-I1132 PolarHBondContact O-N 3.13Å; L1105-I1132 HydrophobicContact CD1-CD1 3.6Å; L1105-I1132 HydrophobicContact CG-CD1 3.92Å; V1130-I1132 HydrophobicContact CG1-CG1 3.99Å; I1132-I1134 HydrophobicContact CG2-CD1 4.3Å |
| 1133 | E | 92.8 | Very high | 89.3 | Confident | 97 Ų | 97 | 44.7 Ų | 44.7 | 45% | 0.453 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 133.5 | 174.6 | -67.9 | 170.6 | -159.8 | 0 | 0 | 108 | P1044 V1045 | P1044-E1133 CarbonylContact C-O 3.4Å; P1044-E1133 VanDerWaalsContact CA-O 3.29Å; P1044-E1133 WeakPolarHBondContact CA-O 3.13Å; V1045-E1133 PolarHBondContact N-O 2.78Å |
| 1134 | I | 93.3 | Very high | 90.1 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.051 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 136 | 178.5 | -50.4 | -54.7 | 0 | 0 | 0 | 108.2 | V1045 E1047 F1080 L1095 Y1097 R1100 T1101 Y1103 I1132 | V1045-I1134 WeakPolarHBondContact O-CA 3.39Å; E1047-I1134 HydrophobicContact CB-CG2 3.83Å; F1080-I1134 HydrophobicContact CZ-CD1 4.43Å; L1095-I1134 HydrophobicContact CD1-CD1 4.07Å; L1095-I1134 HydrophobicContact CD2-CD1 4.11Å; L1095-I1134 HydrophobicContact CG-CD1 4.46Å; Y1097-I1134 HydrophobicContact CD2-CB 4.11Å; Y1097-I1134 HydrophobicContact CD2-CG2 4.08Å; Y1097-I1134 WeakPolarHBondContact CD2-O 3.46Å; Y1097-I1134 VanDerWaalsContact CE2-O 3.31Å; Y1097-I1134 WeakPolarHBondContact CE2-O 3.27Å; R1100-I1134 WeakPolarHBondContact O-CG1 3.22Å; T1101-I1134 PolarHBondContact O-N 2.77Å; Y1103-I1134 HydrophobicContact CD2-CD1 4.24Å; Y1103-I1134 HydrophobicContact CD2-CG1 4.45Å; Y1103-I1134 HydrophobicContact CE2-CD1 4.34Å; Y1103-I1134 HydrophobicContact CE2-CG1 4.39Å; I1132-I1134 HydrophobicContact CG2-CD1 4.3Å |
| 1135 | Q | 90.9 | Very high | 90.8 | Very high | 84 Ų | 84 | 44.6 Ų | 44.6 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.5 | 172.1 | 177.2 | 176.9 | -32.9 | 0 | 0 | 109.7 | P1044 V1045 E1047 | P1044-Q1135 HydrophobicContact CB-CB 3.98Å; V1045-Q1135 PolarHBondContact O-N 2.68Å; E1047-Q1135 PolarHBondContact N-O 2.89Å; E1047-Q1135 VanDerWaalsContact N-O 3.15Å |
| 1136 | D | 92.1 | Very high | 91.2 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -46.7 | 124.1 | 162.5 | -175.9 | 34.1 | 0 | 0 | 0 | 110.3 | Y1097 T1173 Y1176 | Y1097-D1136 HydrophobicContact CD1-CB 3.88Å; Y1097-D1136 HydrophobicContact CD2-CB 4.02Å; Y1097-D1136 HydrophobicContact CE1-CB 3.77Å; Y1097-D1136 HydrophobicContact CE2-CB 3.9Å; Y1097-D1136 HydrophobicContact CG-CB 4.01Å; D1136-T1173 PolarHBondContact OD1-N 3.34Å; D1136-T1173 VanDerWaalsContact OD1-N 3.08Å; D1136-T1173 VanDerWaalsContact OD2-CA 3.27Å; D1136-T1173 WeakPolarHBondContact OD2-CA 3.4Å; D1136-T1173 WeakPolarHBondContact OD2-CB 3.38Å; D1136-T1173 PolarHBondContact OD2-N 3.1Å; D1136-T1173 PolarHBondContact OD2-OG1 3.14Å; D1136-Y1176 WeakPolarHBondContact O-CE2 3.47Å |
| 1137 | E | 90.2 | Very high | 91.3 | Very high | 37 Ų | 37 | 56.7 Ų | 56.7 | 17% | 0.173 | 28% | 0.279 | C | S | . | . | trans | -119 | 168.2 | 175.5 | -68.7 | -73.1 | -173.6 | 0 | 0 | 111.4 | S1046 E1047 L1048 D1139 Y1176 | S1046-E1137 WeakPolarHBondContact CB-OE1 3.34Å; S1046-E1137 VanDerWaalsContact OG-CD 3.3Å; S1046-E1137 VanDerWaalsContact OG-CG 3.3Å; S1046-E1137 WeakPolarHBondContact OG-CG 3.12Å; S1046-E1137 PolarHBondContact OG-OE1 2.82Å; E1047-E1137 HydrophobicContact CG-CB 4.05Å; E1047-E1137 HydrophobicContact CG-CG 4.16Å; E1047-E1137 PolarHBondContact OE1-N 2.93Å; L1048-E1137 HydrophobicContact CD1-CB 3.76Å; L1048-E1137 HydrophobicContact CD1-CG 4.09Å; L1048-E1137 HydrophobicContact CG-CB 3.93Å; L1048-E1137 HydrophobicContact CG-CG 4.08Å; E1137-D1139 PolarHBondContact O-N 3.49Å; E1137-D1139 VanDerWaalsContact O-N 3.14Å; E1137-Y1176 VanDerWaalsContact C-CD2 3.48Å | ||
| 1138 | N | 91.2 | Very high | 91.4 | Very high | 36 Ų | 36 | 57.6 Ų | 57.6 | 19% | 0.193 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -85.7 | 82.2 | 179.7 | -160.5 | -82.7 | 0 | 0 | 0 | 110.5 | D1172 Y1176 D1226 L1232 | N1138-D1172 WeakPolarHBondContact CA-OD2 3.32Å; N1138-Y1176 HydrophobicContact CB-CD1 3.94Å; N1138-Y1176 HydrophobicContact CB-CD2 4.17Å; N1138-Y1176 HydrophobicContact CB-CE1 4.17Å; N1138-Y1176 HydrophobicContact CB-CE2 4.41Å; N1138-Y1176 HydrophobicContact CB-CG 3.94Å; N1138-Y1176 WeakPolarHBondContact ND2-CD1 3.24Å; N1138-D1226 PolarHBondContact ND2-OD1 2.54Å; N1138-D1226 PolarHBondContact OD1-OD1 3.48Å; N1138-L1232 WeakPolarHBondContact OD1-CD1 3.25Å; N1138-L1232 WeakPolarHBondContact OD1-CG 3.42Å; N1138-L1232 PolarHBondContact OD1-N 2.83Å |
| 1139 | D | 89.9 | Confident | 91.4 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | trans | -111.4 | -38.8 | -170.9 | 156.9 | -80.1 | 0 | 0 | 0 | 112.2 | E1137 D1172 L1232 | E1137-D1139 PolarHBondContact O-N 3.49Å; E1137-D1139 VanDerWaalsContact O-N 3.14Å; D1139-D1172 PolarHBondContact N-OD2 3.1Å; D1139-L1232 WeakPolarHBondContact O-CD1 3.39Å | ||
| 1140 | H | 89.2 | Confident | 91.3 | Very high | 39 Ų | 39 | 55.7 Ų | 55.7 | 18% | 0.181 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -91.4 | 139.6 | 175.9 | -61.5 | 88 | 0 | 0 | 0 | 112.5 | E1098 R1171 D1172 L1232 | E1098-H1140 IonicContact OE2-CE1 3.96Å; E1098-H1140 PolarHBondContact OE2-CE1 3.13Å; E1098-H1140 IonicContact OE2-ND1 3.71Å; H1140-R1171 HydrophobicContact CB-CB 4.29Å; H1140-R1171 WeakPolarHBondContact CD2-CD 3.34Å; H1140-R1171 VanDerWaalsContact NE2-CD 3.26Å; H1140-R1171 WeakPolarHBondContact NE2-CD 3.29Å; H1140-R1171 PolarHBondContact NE2-NH1 2.92Å; H1140-D1172 WeakPolarHBondContact CB-OD1 3.44Å; H1140-D1172 IonicContact CG-OD1 2.71Å; H1140-D1172 VanDerWaalsContact CG-OD1 3.32Å; H1140-D1172 PolarHBondContact N-OD1 3.27Å; H1140-D1172 VanDerWaalsContact N-OD1 3.12Å; H1140-D1172 PolarHBondContact N-OD2 3.03Å; H1140-D1172 IonicContact ND1-OD1 3.69Å; H1140-D1172 PolarHBondContact ND1-OD1 2.88Å; H1140-L1232 WeakPolarHBondContact O-CD1 3.19Å |
| 1141 | P | 91.7 | Very high | 91 | Very high | 69 Ų | 69 | 55.7 Ų | 55.7 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -95.6 | 142 | 178.8 | 34.1 | -33.6 | 0 | 0 | 0 | 113.8 | V1143 D1170 L1232 | P1141-V1143 WeakPolarHBondContact O-CG2 3.46Å; P1141-V1143 PolarHBondContact O-N 3.39Å; P1141-D1170 VanDerWaalsContact C-OD1 3.25Å; P1141-L1232 HydrophobicContact CB-CB 4.06Å; P1141-L1232 HydrophobicContact CB-CD1 4.29Å |
| 1142 | P | 93.4 | Very high | 90.7 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -48.2 | 118.8 | -173.5 | -30.9 | 29 | 0 | 0 | 0 | 117.1 | A1168 D1170 M1179 A1224 D1226 G1234 | P1142-A1168 HydrophobicContact CB-CB 4.23Å; P1142-D1170 WeakPolarHBondContact CA-OD2 3.02Å; P1142-D1170 WeakPolarHBondContact CD-OD2 3.38Å; P1142-D1170 WeakPolarHBondContact CG-OD2 3.46Å; P1142-M1179 HydrophobicContact CB-CE 4.23Å; P1142-M1179 HydrophobicContact CB-SD 3.68Å; P1142-M1179 HydrophobicContact CG-CE 3.99Å; P1142-M1179 HydrophobicContact CG-SD 3.87Å; P1142-A1224 HydrophobicContact CB-CB 4.05Å; P1142-D1226 WeakPolarHBondContact CD-OD2 3.26Å; P1142-D1226 HydrophobicContact CG-CB 4.19Å; P1142-D1226 WeakPolarHBondContact CG-OD2 3.39Å; P1142-G1234 WeakPolarHBondContact O-CA 3.33Å |
| 1143 | V | 92.9 | Very high | 90.6 | Very high | 91 Ų | 91 | 54 Ų | 54 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 110.6 | 179.7 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | P1141 A1168 T1169 | P1141-V1143 WeakPolarHBondContact O-CG2 3.46Å; P1141-V1143 PolarHBondContact O-N 3.39Å; V1143-A1168 VanDerWaalsContact O-CA 3.29Å; V1143-A1168 WeakPolarHBondContact O-CA 3.47Å; V1143-T1169 PolarHBondContact N-O 3.17Å; V1143-T1169 PolarHBondContact O-N 3.25Å; V1143-T1169 PolarHBondContact O-OG1 3.45Å |
| 1144 | F | 93.5 | Very high | 90.4 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 134 | 170.6 | -80.5 | -84 | 0 | 0 | 0 | 112.1 | K1146 Y1149 V1166 A1168 Y1181 V1222 A1224 A1236 | F1144-K1146 PolarHBondContact O-N 2.89Å; F1144-K1146 VanDerWaalsContact O-N 3.11Å; F1144-Y1149 AromaticContact CD1-CE2 3.91Å; F1144-Y1149 HydrophobicContact CD1-CE2 3.91Å; F1144-V1166 HydrophobicContact CD1-CB 4.46Å; F1144-V1166 HydrophobicContact CE1-CB 4.03Å; F1144-V1166 HydrophobicContact CE1-CG2 4.09Å; F1144-A1168 HydrophobicContact CD1-CB 4.2Å; F1144-A1168 HydrophobicContact CD2-CB 4.48Å; F1144-A1168 HydrophobicContact CE1-CB 4.36Å; F1144-A1168 HydrophobicContact CG-CB 4.27Å; F1144-Y1181 HydrophobicContact CE1-CD1 4.08Å; F1144-Y1181 AromaticContact CE1-CE1 3.81Å; F1144-Y1181 HydrophobicContact CE1-CE1 3.81Å; F1144-Y1181 HydrophobicContact CZ-CD1 4.15Å; F1144-Y1181 HydrophobicContact CZ-CE1 4.16Å; F1144-V1222 HydrophobicContact CD1-CG1 4.48Å; F1144-V1222 HydrophobicContact CE1-CG1 3.71Å; F1144-V1222 HydrophobicContact CE1-CG2 4.33Å; F1144-V1222 HydrophobicContact CE2-CG1 4.41Å; F1144-V1222 HydrophobicContact CZ-CB 4.39Å; F1144-V1222 HydrophobicContact CZ-CG1 3.66Å; F1144-V1222 HydrophobicContact CZ-CG2 4.07Å; F1144-A1224 HydrophobicContact CE1-CB 4.22Å; F1144-A1224 HydrophobicContact CE2-CB 3.64Å; F1144-A1224 HydrophobicContact CZ-CB 3.44Å; F1144-A1224 VanDerWaalsContact CZ-CB 3.44Å; F1144-A1236 HydrophobicContact CB-CB 3.98Å; F1144-A1236 HydrophobicContact CD1-CB 4.02Å; F1144-A1236 HydrophobicContact CD2-CB 3.83Å; F1144-A1236 HydrophobicContact CE1-CB 4.46Å; F1144-A1236 HydrophobicContact CE2-CB 4.29Å; F1144-A1236 HydrophobicContact CG-CB 3.67Å |
| 1145 | Q | 88.2 | Confident | 90.2 | Very high | 122 Ų | 122 | 50.5 Ų | 50.5 | 57% | 0.57 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -56.8 | -29.4 | 176.9 | -69.1 | -173.5 | -27.9 | 0 | 0 | 113.4 | K1167 | Q1145-K1167 HydrophobicContact CG-CB 4.43Å; Q1145-K1167 PolarHBondContact N-O 2.66Å |
| 1146 | K | 86.4 | Confident | 89.9 | Confident | 113 Ų | 113 | 51.4 Ų | 51.4 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | trans | -135.4 | 127 | 175.9 | -61.8 | -177.1 | -179.3 | 179.3 | 0 | 109.1 | F1144 F1148 Y1149 | F1144-K1146 PolarHBondContact O-N 2.89Å; F1144-K1146 VanDerWaalsContact O-N 3.11Å; K1146-F1148 PolarHBondContact O-N 3.34Å; K1146-Y1149 HydrophobicContact CB-CD2 4.44Å; K1146-Y1149 HydrophobicContact CB-CE1 4.29Å; K1146-Y1149 HydrophobicContact CB-CE2 4.1Å; K1146-Y1149 WeakPolarHBondContact O-CD2 3.48Å; K1146-Y1149 WeakPolarHBondContact O-CE2 3.27Å | ||
| 1147 | K | 87.5 | Confident | 89.6 | Confident | 186 Ų | 186 | 51.1 Ų | 51.1 | 81% | 0.809 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -68.8 | -18.5 | 176.9 | -67.2 | -175.4 | 177.5 | -179.4 | 0 | 113.3 | D1237 | K1147-D1237 PolarHBondContact O-N 3.45Å; K1147-D1237 VanDerWaalsContact O-N 3.09Å |
| 1148 | F | 89.9 | Confident | 89.5 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 30% | 0.303 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 117.6 | 178.8 | -165 | -108.8 | 0 | 0 | 0 | 109.1 | K1146 I1150 D1237 L1239 P1315 | K1146-F1148 PolarHBondContact O-N 3.34Å; F1148-I1150 HydrophobicContact CD1-CD1 3.91Å; F1148-I1150 HydrophobicContact CD1-CG1 3.66Å; F1148-I1150 HydrophobicContact CE1-CD1 3.74Å; F1148-I1150 HydrophobicContact CE1-CG1 3.52Å; F1148-D1237 CarbonylContact C-O 3.59Å; F1148-D1237 WeakPolarHBondContact CA-O 3.4Å; F1148-D1237 HydrophobicContact CD2-CB 3.56Å; F1148-D1237 HydrophobicContact CE2-CB 3.98Å; F1148-L1239 HydrophobicContact CE1-CB 4.28Å; F1148-L1239 HydrophobicContact CE1-CD2 4.22Å; F1148-L1239 HydrophobicContact CE2-CB 4.49Å; F1148-L1239 HydrophobicContact CZ-CB 3.81Å; F1148-L1239 HydrophobicContact CZ-CD2 4.04Å; F1148-P1315 HydrophobicContact CE1-CB 4.13Å |
| 1149 | Y | 90.9 | Very high | 89.4 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 139.7 | 174 | -75.1 | -92.2 | 0 | 0 | 0 | 110.3 | F1144 K1146 L1164 V1166 K1167 A1236 D1237 V1238 L1239 | F1144-Y1149 AromaticContact CD1-CE2 3.91Å; F1144-Y1149 HydrophobicContact CD1-CE2 3.91Å; K1146-Y1149 HydrophobicContact CB-CD2 4.44Å; K1146-Y1149 HydrophobicContact CB-CE1 4.29Å; K1146-Y1149 HydrophobicContact CB-CE2 4.1Å; K1146-Y1149 WeakPolarHBondContact O-CD2 3.48Å; K1146-Y1149 WeakPolarHBondContact O-CE2 3.27Å; Y1149-L1164 HydrophobicContact CD1-CD1 4.09Å; Y1149-L1164 HydrophobicContact CG-CD1 4.32Å; Y1149-V1166 HydrophobicContact CD1-CG1 4.16Å; Y1149-V1166 HydrophobicContact CD2-CG1 4Å; Y1149-V1166 HydrophobicContact CE1-CB 4.37Å; Y1149-V1166 HydrophobicContact CE1-CG1 4.24Å; Y1149-V1166 HydrophobicContact CE2-CB 4.18Å; Y1149-V1166 HydrophobicContact CE2-CG1 4.06Å; Y1149-V1166 HydrophobicContact CG-CG1 4.05Å; Y1149-K1167 PolarHBondContact OH-N 3.03Å; Y1149-K1167 PolarHBondContact OH-O 2.99Å; Y1149-A1236 HydrophobicContact CD2-CB 4.1Å; Y1149-A1236 HydrophobicContact CE2-CB 4.14Å; Y1149-D1237 PolarHBondContact N-O 3.44Å; Y1149-V1238 WeakPolarHBondContact O-CA 3.32Å; Y1149-L1239 PolarHBondContact O-N 3.41Å |
| 1150 | I | 90.6 | Very high | 89.3 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 132.5 | 177.8 | -52.2 | 173.4 | 0 | 0 | 0 | 108.3 | F1148 L1239 K1283 I1313 P1315 | F1148-I1150 HydrophobicContact CD1-CD1 3.91Å; F1148-I1150 HydrophobicContact CD1-CG1 3.66Å; F1148-I1150 HydrophobicContact CE1-CD1 3.74Å; F1148-I1150 HydrophobicContact CE1-CG1 3.52Å; I1150-L1239 WeakPolarHBondContact CA-O 3.43Å; I1150-L1239 HydrophobicContact CG2-CD2 4.31Å; I1150-K1283 HydrophobicContact CB-CB 3.8Å; I1150-K1283 HydrophobicContact CB-CG 4.1Å; I1150-K1283 HydrophobicContact CD1-CB 4.16Å; I1150-K1283 HydrophobicContact CG2-CB 3.81Å; I1150-K1283 HydrophobicContact CG2-CG 4.33Å; I1150-I1313 HydrophobicContact CG2-CB 3.89Å; I1150-I1313 HydrophobicContact CG2-CD1 4.09Å; I1150-I1313 HydrophobicContact CG2-CG2 3.71Å; I1150-P1315 HydrophobicContact CD1-CB 3.95Å; I1150-P1315 HydrophobicContact CD1-CG 4.49Å |
| 1151 | G | 88.6 | Confident | 89.2 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | -177 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | L1239 V1240 S1241 I1313 | G1151-L1239 PolarHBondContact N-O 3.38Å; G1151-V1240 VanDerWaalsContact O-CA 3.31Å; G1151-V1240 WeakPolarHBondContact O-CA 3.31Å; G1151-S1241 PolarHBondContact O-N 2.98Å; G1151-S1241 VanDerWaalsContact O-N 3.16Å; G1151-I1313 VanDerWaalsContact C-CD1 3.48Å; G1151-I1313 WeakPolarHBondContact O-CD1 3.19Å |
| 1152 | G | 88.7 | Confident | 89.1 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 7% | 0.072 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 169.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1241 Y1311 | G1152-S1241 WeakPolarHBondContact CA-O 3.19Å; G1152-Y1311 VanDerWaalsContact CA-OH 3.29Å; G1152-Y1311 WeakPolarHBondContact CA-OH 3.28Å; G1152-Y1311 PolarHBondContact O-OH 3.19Å |
| 1153 | V | 90.9 | Very high | 89 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 135.1 | 176.3 | -66.1 | 0 | 0 | 0 | 0 | 109.7 | A1157 V1163 F1195 T1206 F1210 V1240 S1241 V1242 V1243 Y1311 | V1153-A1157 HydrophobicContact CB-CB 4.41Å; V1153-V1163 HydrophobicContact CG1-CB 4.45Å; V1153-V1163 HydrophobicContact CG1-CG1 3.99Å; V1153-V1163 HydrophobicContact CG1-CG2 3.71Å; V1153-F1195 HydrophobicContact CG1-CE1 4.29Å; V1153-T1206 HydrophobicContact CG1-CG2 3.76Å; V1153-F1210 HydrophobicContact CB-CD2 4.32Å; V1153-F1210 HydrophobicContact CB-CE2 4.43Å; V1153-F1210 HydrophobicContact CG2-CD1 4.15Å; V1153-F1210 HydrophobicContact CG2-CD2 3.78Å; V1153-F1210 HydrophobicContact CG2-CE1 4.29Å; V1153-F1210 HydrophobicContact CG2-CE2 3.95Å; V1153-F1210 HydrophobicContact CG2-CG 3.9Å; V1153-F1210 HydrophobicContact CG2-CZ 4.21Å; V1153-V1240 HydrophobicContact CG1-CG1 3.95Å; V1153-V1240 HydrophobicContact CG2-CG1 4.06Å; V1153-S1241 PolarHBondContact N-O 3.25Å; V1153-V1242 HydrophobicContact CG2-CG2 4.05Å; V1153-V1242 WeakPolarHBondContact O-CA 3.39Å; V1153-V1243 PolarHBondContact O-N 3.41Å; V1153-Y1311 PolarHBondContact N-OH 2.67Å |
| 1154 | S | 88.7 | Confident | 88.8 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 153.8 | 169.4 | -173 | 0 | 0 | 0 | 0 | 111.7 | D1156 A1157 V1243 E1287 | S1154-D1156 VanDerWaalsContact CB-OD1 3.23Å; S1154-D1156 WeakPolarHBondContact CB-OD1 3.45Å; S1154-D1156 PolarHBondContact O-N 2.75Å; S1154-D1156 PolarHBondContact OG-OD1 3.08Å; S1154-A1157 WeakPolarHBondContact O-CB 3.13Å; S1154-A1157 PolarHBondContact O-N 3.23Å; S1154-V1243 CarbonylContact C-O 3.49Å; S1154-V1243 VanDerWaalsContact CA-O 3.29Å; S1154-V1243 WeakPolarHBondContact CA-O 3.32Å; S1154-E1287 WeakPolarHBondContact CB-OE1 3.34Å |
| 1155 | E | 88.8 | Confident | 88.7 | Confident | 31 Ų | 31 | 70.6 Ų | 70.6 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.2 | 176.5 | -70 | -173 | 129.9 | 0 | 0 | 113.6 | F1210 H1211 N1212 M1213 R1214 V1242 V1243 N1244 | E1155-F1210 CarbonylContact O-C 3.59Å; E1155-H1211 PolarHBondContact O-N 2.77Å; E1155-H1211 PolarHBondContact O-ND1 3.36Å; E1155-N1212 WeakPolarHBondContact OE1-CA 3.27Å; E1155-N1212 PolarHBondContact OE1-N 3.31Å; E1155-N1212 VanDerWaalsContact OE1-N 3.15Å; E1155-M1213 PolarHBondContact OE1-N 3.33Å; E1155-R1214 HydrophobicContact CG-CB 4.42Å; E1155-R1214 WeakPolarHBondContact OE1-CB 3.12Å; E1155-R1214 PolarHBondContact OE1-N 2.98Å; E1155-V1242 HydrophobicContact CG-CG1 3.79Å; E1155-V1243 PolarHBondContact N-O 3.47Å; E1155-N1244 HydrophobicContact CB-CB 4.47Å; E1155-N1244 HydrophobicContact CG-CB 4.15Å; E1155-N1244 WeakPolarHBondContact OE2-CB 3.3Å; E1155-N1244 PolarHBondContact OE2-ND2 2.77Å |
| 1156 | D | 85.5 | Confident | 88.9 | Confident | 104 Ų | 104 | 64.9 Ų | 64.9 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 6.3 | 177.1 | 62.2 | -24.9 | 0 | 0 | 0 | 114.3 | S1154 R1158 | S1154-D1156 VanDerWaalsContact CB-OD1 3.23Å; S1154-D1156 WeakPolarHBondContact CB-OD1 3.45Å; S1154-D1156 PolarHBondContact O-N 2.75Å; S1154-D1156 PolarHBondContact OG-OD1 3.08Å; D1156-R1158 PolarHBondContact O-N 3.41Å |
| 1157 | A | 85.5 | Confident | 89.2 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 12% | 0.116 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -56 | 127.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | V1153 S1154 L1209 | V1153-A1157 HydrophobicContact CB-CB 4.41Å; S1154-A1157 WeakPolarHBondContact O-CB 3.13Å; S1154-A1157 PolarHBondContact O-N 3.23Å; A1157-L1209 VanDerWaalsContact O-CD2 3.31Å; A1157-L1209 WeakPolarHBondContact O-CD2 3.5Å |
| 1158 | R | 88.4 | Confident | 89.4 | Confident | 209 Ų | 209 | 56 Ų | 56 | 79% | 0.789 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 161.8 | 176.2 | -60.4 | -176.7 | -174.9 | -177.9 | 3.1 | 110.4 | D1156 A1161 T1206 | D1156-R1158 PolarHBondContact O-N 3.41Å; R1158-A1161 WeakPolarHBondContact O-CB 3.31Å; R1158-A1161 PolarHBondContact O-N 2.91Å; R1158-T1206 PolarHBondContact O-OG1 2.74Å |
| 1159 | M | 87.6 | Confident | 89.5 | Confident | 110 Ų | 110 | 55.7 Ų | 55.7 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 146.1 | 166.8 | -58.2 | -169.7 | -56.2 | 0 | 0 | 110 | A1161 L1209 | M1159-A1161 PolarHBondContact O-N 2.71Å; M1159-L1209 HydrophobicContact CG-CD2 3.89Å; M1159-L1209 HydrophobicContact CG-CG 4.19Å |
| 1160 | F | 88.3 | Confident | 89.5 | Confident | 130 Ų | 130 | 55.9 Ų | 55.9 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 19.4 | -174 | -51 | -71.1 | 0 | 0 | 0 | 115.9 | V1196 T1206 | F1160-V1196 HydrophobicContact CD1-CG2 4.3Å; F1160-V1196 HydrophobicContact CE1-CG2 4.26Å; F1160-T1206 VanDerWaalsContact CA-O 3.31Å; F1160-T1206 WeakPolarHBondContact CA-O 3.5Å; F1160-T1206 PolarHBondContact N-O 3.06Å; F1160-T1206 PolarHBondContact N-OG1 3.38Å |
| 1161 | A | 87.2 | Confident | 89.5 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | trans | -69.4 | 138.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | R1158 M1159 K1205 T1206 | R1158-A1161 WeakPolarHBondContact O-CB 3.31Å; R1158-A1161 PolarHBondContact O-N 2.91Å; M1159-A1161 PolarHBondContact O-N 2.71Å; A1161-K1205 CarbonylContact O-C 3.6Å; A1161-K1205 VanDerWaalsContact O-CA 3.22Å; A1161-K1205 WeakPolarHBondContact O-CA 3.39Å; A1161-T1206 HydrophobicContact CB-CG2 4.33Å; A1161-T1206 PolarHBondContact N-OG1 3.3Å; A1161-T1206 PolarHBondContact O-N 3.46Å | ||
| 1162 | S | 89.8 | Confident | 89.5 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 58% | 0.58 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 137.1 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1163 | V | 90.4 | Very high | 89.4 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 11% | 0.109 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | -54.2 | -177.8 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | V1153 F1195 I1204 T1206 V1240 | V1153-V1163 HydrophobicContact CG1-CB 4.45Å; V1153-V1163 HydrophobicContact CG1-CG1 3.99Å; V1153-V1163 HydrophobicContact CG1-CG2 3.71Å; V1163-F1195 HydrophobicContact CG2-CD1 4.19Å; V1163-F1195 HydrophobicContact CG2-CE1 4.13Å; V1163-I1204 HydrophobicContact CB-CG2 4.44Å; V1163-I1204 PolarHBondContact N-O 3.28Å; V1163-T1206 HydrophobicContact CG2-CG2 3.77Å; V1163-V1240 HydrophobicContact CG1-CG1 3.86Å; V1163-V1240 HydrophobicContact CG1-CG2 3.89Å |
| 1164 | L | 90 | Very high | 89.2 | Confident | 24 Ų | 24 | 67.3 Ų | 67.3 | 13% | 0.126 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 162.8 | 175.2 | 65.5 | 90.7 | 0 | 0 | 0 | 110.1 | Y1149 V1166 I1204 V1238 | Y1149-L1164 HydrophobicContact CD1-CD1 4.09Å; Y1149-L1164 HydrophobicContact CG-CD1 4.32Å; L1164-V1166 HydrophobicContact CD1-CG1 3.56Å; L1164-I1204 HydrophobicContact CD1-CD1 3.78Å; L1164-I1204 HydrophobicContact CD1-CG1 4.3Å; L1164-I1204 HydrophobicContact CG-CB 4.48Å; L1164-I1204 HydrophobicContact CG-CD1 4.27Å; L1164-I1204 PolarHBondContact O-N 3.48Å; L1164-V1238 HydrophobicContact CD2-CG1 3.94Å |
| 1165 | R | 90.6 | Very high | 89.1 | Confident | 169 Ų | 169 | 71.3 Ų | 71.3 | 64% | 0.638 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.7 | 173.2 | -162.6 | 177.6 | -166.5 | 170.2 | 5.1 | 110.2 | T1201 G1202 | R1165-T1201 PolarHBondContact NE-O 3.43Å; R1165-T1201 PolarHBondContact NH2-O 2.84Å; R1165-G1202 WeakPolarHBondContact CA-O 3.41Å |
| 1166 | V | 93.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.012 | 36% | 0.363 | C | S | . | . | trans | -95.8 | 154.8 | 169.7 | -57.2 | 0 | 0 | 0 | 0 | 110 | F1144 Y1149 L1164 Y1181 G1202 I1204 V1222 | F1144-V1166 HydrophobicContact CD1-CB 4.46Å; F1144-V1166 HydrophobicContact CE1-CB 4.03Å; F1144-V1166 HydrophobicContact CE1-CG2 4.09Å; Y1149-V1166 HydrophobicContact CD1-CG1 4.16Å; Y1149-V1166 HydrophobicContact CD2-CG1 4Å; Y1149-V1166 HydrophobicContact CE1-CB 4.37Å; Y1149-V1166 HydrophobicContact CE1-CG1 4.24Å; Y1149-V1166 HydrophobicContact CE2-CB 4.18Å; Y1149-V1166 HydrophobicContact CE2-CG1 4.06Å; Y1149-V1166 HydrophobicContact CG-CG1 4.05Å; L1164-V1166 HydrophobicContact CD1-CG1 3.56Å; V1166-Y1181 HydrophobicContact CG2-CD1 3.59Å; V1166-Y1181 HydrophobicContact CG2-CE1 3.8Å; V1166-Y1181 HydrophobicContact CG2-CG 4.13Å; V1166-G1202 WeakPolarHBondContact CG2-O 3.33Å; V1166-G1202 PolarHBondContact N-O 3.11Å; V1166-I1204 HydrophobicContact CG1-CD1 3.88Å; V1166-I1204 HydrophobicContact CG1-CG1 4.48Å; V1166-V1222 HydrophobicContact CG1-CG1 4.17Å; V1166-V1222 HydrophobicContact CG2-CG2 4Å | ||
| 1167 | K | 92.1 | Very high | 89.2 | Confident | 108 Ų | 108 | 70.1 Ų | 70.1 | 47% | 0.47 | 35% | 0.353 | S | S | . | . | trans | -147.8 | 127.6 | 172.6 | -174.7 | 170.2 | 179.5 | -179.3 | 0 | 110.7 | Q1145 Y1149 | Q1145-K1167 HydrophobicContact CG-CB 4.43Å; Q1145-K1167 PolarHBondContact N-O 2.66Å; Y1149-K1167 PolarHBondContact OH-N 3.03Å; Y1149-K1167 PolarHBondContact OH-O 2.99Å | ||
| 1168 | A | 92.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 3% | 0.033 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 165.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | P1142 V1143 F1144 M1179 Y1181 A1224 | P1142-A1168 HydrophobicContact CB-CB 4.23Å; V1143-A1168 VanDerWaalsContact O-CA 3.29Å; V1143-A1168 WeakPolarHBondContact O-CA 3.47Å; F1144-A1168 HydrophobicContact CD1-CB 4.2Å; F1144-A1168 HydrophobicContact CD2-CB 4.48Å; F1144-A1168 HydrophobicContact CE1-CB 4.36Å; F1144-A1168 HydrophobicContact CG-CB 4.27Å; A1168-M1179 HydrophobicContact CB-CG 4.23Å; A1168-M1179 HydrophobicContact CB-SD 3.77Å; A1168-Y1181 HydrophobicContact CB-CE1 4.25Å; A1168-Y1181 PolarHBondContact N-OH 3.47Å; A1168-A1224 HydrophobicContact CB-CB 3.65Å |
| 1169 | T | 91.2 | Very high | 89.5 | Confident | 64 Ų | 64 | 61.1 Ų | 61.1 | 39% | 0.393 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 142.2 | 176.4 | 47.4 | 0 | 0 | 0 | 0 | 108.3 | V1143 | V1143-T1169 PolarHBondContact N-O 3.17Å; V1143-T1169 PolarHBondContact O-N 3.25Å; V1143-T1169 PolarHBondContact O-OG1 3.45Å |
| 1170 | D | 90.5 | Very high | 89.8 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 13% | 0.134 | 30% | 0.298 | C | S | . | . | trans | -109.7 | -177.6 | 166.9 | -101.7 | -51.9 | 0 | 0 | 0 | 112.9 | P1141 P1142 M1179 | P1141-D1170 VanDerWaalsContact C-OD1 3.25Å; P1142-D1170 WeakPolarHBondContact CA-OD2 3.02Å; P1142-D1170 WeakPolarHBondContact CD-OD2 3.38Å; P1142-D1170 WeakPolarHBondContact CG-OD2 3.46Å; D1170-M1179 HydrophobicContact CB-CE 4.15Å; D1170-M1179 WeakPolarHBondContact OD2-CE 3.29Å | ||
| 1171 | R | 90.6 | Very high | 90.1 | Very high | 168 Ų | 168 | 50.8 Ų | 50.8 | 63% | 0.634 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -98.6 | -49.6 | 170.5 | -74.4 | 168.6 | 166.8 | -167.7 | -6.6 | 110.7 | E1098 H1140 | E1098-R1171 HydrophobicContact CG-CB 4.2Å; H1140-R1171 HydrophobicContact CB-CB 4.29Å; H1140-R1171 WeakPolarHBondContact CD2-CD 3.34Å; H1140-R1171 VanDerWaalsContact NE2-CD 3.26Å; H1140-R1171 WeakPolarHBondContact NE2-CD 3.29Å; H1140-R1171 PolarHBondContact NE2-NH1 2.92Å |
| 1172 | D | 90.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -44.3 | 146.2 | 170.2 | -44.5 | 7.2 | 0 | 0 | 0 | 110.7 | N1138 D1139 H1140 S1177 | N1138-D1172 WeakPolarHBondContact CA-OD2 3.32Å; D1139-D1172 PolarHBondContact N-OD2 3.1Å; H1140-D1172 WeakPolarHBondContact CB-OD1 3.44Å; H1140-D1172 IonicContact CG-OD1 2.71Å; H1140-D1172 VanDerWaalsContact CG-OD1 3.32Å; H1140-D1172 PolarHBondContact N-OD1 3.27Å; H1140-D1172 VanDerWaalsContact N-OD1 3.12Å; H1140-D1172 PolarHBondContact N-OD2 3.03Å; H1140-D1172 IonicContact ND1-OD1 3.69Å; H1140-D1172 PolarHBondContact ND1-OD1 2.88Å; D1172-S1177 WeakPolarHBondContact O-CB 3.41Å; D1172-S1177 PolarHBondContact O-OG 3.15Å |
| 1173 | T | 85.9 | Confident | 90.6 | Very high | 55 Ų | 55 | 52.9 Ų | 52.9 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | trans | -102.9 | -171 | -167.1 | 85.6 | 0 | 0 | 0 | 0 | 113.1 | Y1097 D1136 N1175 Y1176 S1177 | Y1097-T1173 HydrophobicContact CE1-CG2 3.76Å; D1136-T1173 PolarHBondContact OD1-N 3.34Å; D1136-T1173 VanDerWaalsContact OD1-N 3.08Å; D1136-T1173 VanDerWaalsContact OD2-CA 3.27Å; D1136-T1173 WeakPolarHBondContact OD2-CA 3.4Å; D1136-T1173 WeakPolarHBondContact OD2-CB 3.38Å; D1136-T1173 PolarHBondContact OD2-N 3.1Å; D1136-T1173 PolarHBondContact OD2-OG1 3.14Å; T1173-N1175 PolarHBondContact O-N 3.01Å; T1173-N1175 VanDerWaalsContact O-N 3.13Å; T1173-Y1176 WeakPolarHBondContact O-CA 3.41Å; T1173-Y1176 PolarHBondContact O-N 3.29Å; T1173-S1177 PolarHBondContact O-N 3.05Å; T1173-S1177 VanDerWaalsContact O-N 3.13Å | ||
| 1174 | G | 86.4 | Confident | 90.6 | Very high | 58 Ų | 58 | 56 Ų | 56 | 60% | 0.598 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | -117.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1175 | N | 86.9 | Confident | 90.4 | Very high | 87 Ų | 87 | 57.1 Ų | 57.1 | 47% | 0.465 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -25.3 | 180 | -69.6 | -3.7 | 0 | 0 | 0 | 113.2 | T1173 S1177 A1178 D1227 Y1228 | T1173-N1175 PolarHBondContact O-N 3.01Å; T1173-N1175 VanDerWaalsContact O-N 3.13Å; N1175-S1177 PolarHBondContact O-N 2.84Å; N1175-A1178 WeakPolarHBondContact O-CB 3.44Å; N1175-A1178 PolarHBondContact O-N 2.76Å; N1175-D1227 VanDerWaalsContact O-CA 3.26Å; N1175-D1227 WeakPolarHBondContact O-CA 3.47Å; N1175-D1227 PolarHBondContact O-N 3.05Å; N1175-Y1228 HydrophobicContact CB-CE2 4.4Å |
| 1176 | Y | 89 | Confident | 90.1 | Very high | 61 Ų | 61 | 52.7 Ų | 52.7 | 24% | 0.239 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -17.2 | 177.8 | -54.6 | -30.3 | 0 | 0 | 0 | 111.6 | D1136 E1137 N1138 T1173 D1226 D1227 | D1136-Y1176 WeakPolarHBondContact O-CE2 3.47Å; E1137-Y1176 VanDerWaalsContact C-CD2 3.48Å; N1138-Y1176 HydrophobicContact CB-CD1 3.94Å; N1138-Y1176 HydrophobicContact CB-CD2 4.17Å; N1138-Y1176 HydrophobicContact CB-CE1 4.17Å; N1138-Y1176 HydrophobicContact CB-CE2 4.41Å; N1138-Y1176 HydrophobicContact CB-CG 3.94Å; N1138-Y1176 WeakPolarHBondContact ND2-CD1 3.24Å; T1173-Y1176 WeakPolarHBondContact O-CA 3.41Å; T1173-Y1176 PolarHBondContact O-N 3.29Å; Y1176-D1226 WeakPolarHBondContact O-CB 3.27Å; Y1176-D1227 HydrophobicContact CD1-CB 4.23Å; Y1176-D1227 HydrophobicContact CE1-CB 4.46Å |
| 1177 | S | 87.5 | Confident | 89.6 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.9 | 160.6 | -106.6 | 0 | 0 | 0 | 0 | 115.5 | D1172 T1173 N1175 M1179 | D1172-S1177 WeakPolarHBondContact O-CB 3.41Å; D1172-S1177 PolarHBondContact O-OG 3.15Å; T1173-S1177 PolarHBondContact O-N 3.05Å; T1173-S1177 VanDerWaalsContact O-N 3.13Å; N1175-S1177 PolarHBondContact O-N 2.84Å; S1177-M1179 WeakPolarHBondContact O-CE 3.33Å; S1177-M1179 PolarHBondContact O-N 3.3Å |
| 1178 | A | 89 | Confident | 89 | Confident | 16 Ų | 16 | 55.7 Ų | 55.7 | 13% | 0.132 | 31% | 0.306 | C | S | . | . | trans | -89.3 | 87.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1175 Y1228 | N1175-A1178 WeakPolarHBondContact O-CB 3.44Å; N1175-A1178 PolarHBondContact O-N 2.76Å; A1178-Y1228 HydrophobicContact CB-CD1 4.37Å; A1178-Y1228 HydrophobicContact CB-CD2 4.13Å; A1178-Y1228 HydrophobicContact CB-CE1 4.03Å; A1178-Y1228 HydrophobicContact CB-CE2 3.78Å; A1178-Y1228 HydrophobicContact CB-CG 4.42Å; A1178-Y1228 PolarHBondContact O-N 2.83Å | ||
| 1179 | M | 91 | Very high | 88.1 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | trans | -65.6 | 126.1 | -173.9 | -56.7 | -64.5 | 117.5 | 0 | 0 | 115.4 | P1142 A1168 D1170 S1177 Y1181 A1224 D1226 | P1142-M1179 HydrophobicContact CB-CE 4.23Å; P1142-M1179 HydrophobicContact CB-SD 3.68Å; P1142-M1179 HydrophobicContact CG-CE 3.99Å; P1142-M1179 HydrophobicContact CG-SD 3.87Å; A1168-M1179 HydrophobicContact CB-CG 4.23Å; A1168-M1179 HydrophobicContact CB-SD 3.77Å; D1170-M1179 HydrophobicContact CB-CE 4.15Å; D1170-M1179 WeakPolarHBondContact OD2-CE 3.29Å; S1177-M1179 WeakPolarHBondContact O-CE 3.33Å; S1177-M1179 PolarHBondContact O-N 3.3Å; M1179-Y1181 HydrophobicContact CB-CE1 4.46Å; M1179-Y1181 HydrophobicContact CB-CE2 3.81Å; M1179-A1224 HydrophobicContact SD-CB 4.06Å; M1179-D1226 HydrophobicContact CE-CB 3.92Å | ||
| 1180 | A | 93.2 | Very high | 87.2 | Confident | 8 Ų | 8 | 69 Ų | 69 | 7% | 0.066 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 124.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1199 Y1200 A1224 T1225 Y1228 | A1180-T1199 CarbonylContact C-O 3.57Å; A1180-T1199 WeakPolarHBondContact CA-O 3.23Å; A1180-T1199 HydrophobicContact CB-CG2 3.84Å; A1180-Y1200 HydrophobicContact CB-CD1 4.48Å; A1180-Y1200 HydrophobicContact CB-CE1 4.25Å; A1180-A1224 WeakPolarHBondContact O-CA 3.29Å; A1180-T1225 WeakPolarHBondContact CB-O 3.4Å; A1180-T1225 PolarHBondContact N-O 2.82Å; A1180-T1225 PolarHBondContact O-N 3.22Å; A1180-Y1228 WeakPolarHBondContact CB-O 3.26Å |
| 1181 | Y | 94.9 | Very high | 86.2 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 6% | 0.063 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 138.1 | -178.9 | -59.2 | -81 | 0 | 0 | 0 | 112.2 | F1144 V1166 A1168 M1179 V1197 T1199 G1202 V1222 I1223 A1224 | F1144-Y1181 HydrophobicContact CE1-CD1 4.08Å; F1144-Y1181 AromaticContact CE1-CE1 3.81Å; F1144-Y1181 HydrophobicContact CE1-CE1 3.81Å; F1144-Y1181 HydrophobicContact CZ-CD1 4.15Å; F1144-Y1181 HydrophobicContact CZ-CE1 4.16Å; V1166-Y1181 HydrophobicContact CG2-CD1 3.59Å; V1166-Y1181 HydrophobicContact CG2-CE1 3.8Å; V1166-Y1181 HydrophobicContact CG2-CG 4.13Å; A1168-Y1181 HydrophobicContact CB-CE1 4.25Å; A1168-Y1181 PolarHBondContact N-OH 3.47Å; M1179-Y1181 HydrophobicContact CB-CE1 4.46Å; M1179-Y1181 HydrophobicContact CB-CE2 3.81Å; Y1181-V1197 WeakPolarHBondContact O-CG1 3.24Å; Y1181-T1199 VanDerWaalsContact CD2-O 3.28Å; Y1181-T1199 WeakPolarHBondContact CD2-O 3.23Å; Y1181-T1199 PolarHBondContact N-O 2.93Å; Y1181-G1202 VanDerWaalsContact CD2-CA 3.46Å; Y1181-V1222 HydrophobicContact CD1-CG2 4.31Å; Y1181-I1223 VanDerWaalsContact CA-O 3.32Å; Y1181-I1223 WeakPolarHBondContact CA-O 3.31Å; Y1181-A1224 HydrophobicContact CD1-CB 3.86Å; Y1181-A1224 HydrophobicContact CE1-CB 3.71Å |
| 1182 | R | 93.5 | Very high | 85.5 | Confident | 127 Ų | 127 | 67.7 Ų | 67.7 | 48% | 0.479 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 151.5 | 172.4 | 63.7 | -173 | 178.1 | 94.9 | -4.5 | 112 | V1222 I1223 | R1182-V1222 WeakPolarHBondContact O-CA 3.12Å; R1182-I1223 HydrophobicContact CG-CB 3.98Å; R1182-I1223 HydrophobicContact CG-CG2 4.3Å; R1182-I1223 PolarHBondContact N-O 3.12Å; R1182-I1223 PolarHBondContact O-N 2.83Å |
| 1183 | L | 93.4 | Very high | 84.7 | Confident | 35 Ų | 35 | 74.2 Ų | 74.2 | 18% | 0.183 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 143.4 | 179.4 | -55.9 | -177.8 | 0 | 0 | 0 | 112 | I1185 F1195 V1197 I1204 F1220 Q1221 V1222 | L1183-I1185 HydrophobicContact CB-CD1 4.08Å; L1183-I1185 HydrophobicContact CB-CG1 3.85Å; L1183-I1185 HydrophobicContact CD1-CD1 3.96Å; L1183-I1185 HydrophobicContact CD1-CG1 4.46Å; L1183-F1195 HydrophobicContact CD1-CB 4.04Å; L1183-V1197 HydrophobicContact CD1-CB 4.16Å; L1183-V1197 HydrophobicContact CD1-CG1 4.49Å; L1183-V1197 HydrophobicContact CD2-CB 4.1Å; L1183-V1197 HydrophobicContact CD2-CG1 4.13Å; L1183-V1197 HydrophobicContact CG-CB 3.91Å; L1183-V1197 HydrophobicContact CG-CG1 3.79Å; L1183-I1204 HydrophobicContact CD1-CG2 4.4Å; L1183-I1204 HydrophobicContact CD2-CD1 4.11Å; L1183-F1220 HydrophobicContact CD1-CD2 4.3Å; L1183-F1220 HydrophobicContact CD1-CE2 3.88Å; L1183-F1220 HydrophobicContact CD2-CD2 4.09Å; L1183-F1220 HydrophobicContact CD2-CE2 3.9Å; L1183-F1220 HydrophobicContact CG-CE2 4.43Å; L1183-Q1221 CarbonylContact C-O 3.58Å; L1183-Q1221 WeakPolarHBondContact CA-O 3.31Å; L1183-V1222 HydrophobicContact CD2-CB 3.8Å; L1183-V1222 HydrophobicContact CD2-CG2 3.8Å |
| 1184 | I | 90.6 | Very high | 84.6 | Confident | 84 Ų | 84 | 71.6 Ų | 71.6 | 43% | 0.431 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 100.1 | 164.5 | -60.8 | -175.9 | 0 | 0 | 0 | 107.4 | F1220 Q1221 I1223 | I1184-F1220 WeakPolarHBondContact O-CB 3.5Å; I1184-Q1221 HydrophobicContact CB-CB 4.43Å; I1184-Q1221 PolarHBondContact N-O 2.83Å; I1184-Q1221 PolarHBondContact O-N 2.88Å; I1184-I1223 HydrophobicContact CD1-CD1 3.55Å; I1184-I1223 HydrophobicContact CG1-CD1 4.24Å |
| 1185 | I | 86.8 | Confident | 84.9 | Confident | 47 Ų | 47 | 69 Ų | 69 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 126.4 | -174.9 | -56.3 | 178.4 | 0 | 0 | 0 | 109.6 | L1183 I1188 E1193 F1195 F1220 | L1183-I1185 HydrophobicContact CB-CD1 4.08Å; L1183-I1185 HydrophobicContact CB-CG1 3.85Å; L1183-I1185 HydrophobicContact CD1-CD1 3.96Å; L1183-I1185 HydrophobicContact CD1-CG1 4.46Å; I1185-I1188 HydrophobicContact CG2-CD1 3.93Å; I1185-I1188 HydrophobicContact CG2-CG1 4.3Å; I1185-E1193 WeakPolarHBondContact CD1-O 3.26Å; I1185-F1195 HydrophobicContact CD1-CB 3.97Å; I1185-F1195 WeakPolarHBondContact CD1-O 3.35Å; I1185-F1220 HydrophobicContact CB-CB 4.32Å; I1185-F1220 HydrophobicContact CG1-CB 3.99Å; I1185-F1220 HydrophobicContact CG1-CD2 4.32Å; I1185-F1220 HydrophobicContact CG1-CG 4.15Å; I1185-F1220 HydrophobicContact CG2-CB 4.47Å |
| 1186 | P | 84.6 | Confident | 85.1 | Confident | 75 Ų | 75 | 67 Ų | 67 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 144.7 | 173.4 | -23.8 | 34.7 | 0 | 0 | 0 | 112.1 | I1188 K1219 | P1186-I1188 PolarHBondContact O-N 3.44Å; P1186-I1188 VanDerWaalsContact O-N 3.11Å; P1186-K1219 WeakPolarHBondContact CD-O 3.25Å; P1186-K1219 WeakPolarHBondContact CG-O 3.32Å |
| 1187 | P | 81.3 | Confident | 85.4 | Confident | 140 Ų | 140 | 65.3 Ų | 65.3 | 91% | 0.909 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 116.2 | -173.4 | -29 | 35.9 | 0 | 0 | 0 | 114.5 | ||
| 1188 | I | 80.3 | Confident | 85.7 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 17% | 0.169 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 149.4 | 177.7 | -59 | 173.9 | 0 | 0 | 0 | 109.7 | I1185 P1186 G1191 M1208 F1218 | I1185-I1188 HydrophobicContact CG2-CD1 3.93Å; I1185-I1188 HydrophobicContact CG2-CG1 4.3Å; P1186-I1188 PolarHBondContact O-N 3.44Å; P1186-I1188 VanDerWaalsContact O-N 3.11Å; I1188-G1191 PolarHBondContact O-N 3.48Å; I1188-M1208 HydrophobicContact CD1-CE 4.2Å; I1188-M1208 HydrophobicContact CG2-CE 4.1Å; I1188-M1208 HydrophobicContact CG2-SD 4.24Å; I1188-F1218 HydrophobicContact CD1-CD1 3.95Å; I1188-F1218 HydrophobicContact CD1-CE1 3.94Å; I1188-F1218 HydrophobicContact CG1-CD1 4.36Å; I1188-F1218 HydrophobicContact CG1-CE1 4.28Å; I1188-F1218 HydrophobicContact CG2-CE1 4.37Å |
| 1189 | K | 73.7 | Confident | 85.8 | Confident | 183 Ų | 183 | 68.6 Ų | 68.6 | 80% | 0.796 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -57.1 | 149.3 | 175.4 | -65.4 | -178 | -179.5 | 177.5 | 0 | 111.1 | G1191 | K1189-G1191 PolarHBondContact O-N 2.86Š|
| 1190 | E | 71.8 | Confident | 85.8 | Confident | 164 Ų | 164 | 74.9 Ų | 74.9 | 77% | 0.766 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | 66.4 | 9.9 | 179.1 | -53.4 | 170.3 | 178.2 | 0 | 0 | 115 | K1192 | E1190-K1192 VanDerWaalsContact C-N 3.31Å; E1190-K1192 HydrophobicContact CB-CD 4.38Å; E1190-K1192 PolarHBondContact O-N 3.49Å; E1190-K1192 WeakPolarHBondContact OE2-CE 3.44Å; E1190-K1192 IonicContact OE2-NZ 2.78Å; E1190-K1192 PolarHBondContact OE2-NZ 2.85Å |
| 1191 | G | 68.3 | Low | 85.6 | Confident | 72 Ų | 72 | 77 Ų | 77 | 74% | 0.742 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | 73.4 | 21.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1188 K1189 | I1188-G1191 PolarHBondContact O-N 3.48Å; K1189-G1191 PolarHBondContact O-N 2.86Å |
| 1192 | K | 76.9 | Confident | 85.5 | Confident | 94 Ų | 94 | 76.2 Ų | 76.2 | 41% | 0.409 | 40% | 0.396 | S | S | . | . | trans | -79.2 | 139.8 | 177.9 | -68.8 | 165.1 | 173 | 167.4 | 0 | 110.8 | E1190 G1194 M1208 | E1190-K1192 VanDerWaalsContact C-N 3.31Å; E1190-K1192 HydrophobicContact CB-CD 4.38Å; E1190-K1192 PolarHBondContact O-N 3.49Å; E1190-K1192 WeakPolarHBondContact OE2-CE 3.44Å; E1190-K1192 IonicContact OE2-NZ 2.78Å; E1190-K1192 PolarHBondContact OE2-NZ 2.85Å; K1192-G1194 VanDerWaalsContact C-N 3.3Å; K1192-G1194 PolarHBondContact O-N 3.38Å; K1192-M1208 HydrophobicContact CB-CB 4.48Å; K1192-M1208 HydrophobicContact CB-SD 3.74Å; K1192-M1208 HydrophobicContact CD-CB 4.32Å; K1192-M1208 HydrophobicContact CD-SD 3.81Å; K1192-M1208 HydrophobicContact CG-SD 4.36Å | ||
| 1193 | E | 73.1 | Confident | 85.5 | Confident | 137 Ų | 137 | 72 Ų | 72 | 64% | 0.64 | 38% | 0.383 | S | S | * | . | trans | -69.3 | -27.8 | 179.7 | -63.8 | 172.8 | 176.6 | 0 | 0 | 112.6 | I1185 F1195 A1207 | I1185-E1193 WeakPolarHBondContact CD1-O 3.26Å; E1193-F1195 VanDerWaalsContact C-N 3.26Å; E1193-F1195 PolarHBondContact O-N 3.2Å; E1193-A1207 HydrophobicContact CB-CB 4.17Å | ||
| 1194 | G | 84.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.374 | C | S | . | . | trans | 80.3 | -62 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K1192 A1207 | K1192-G1194 VanDerWaalsContact C-N 3.3Å; K1192-G1194 PolarHBondContact O-N 3.38Å; G1194-A1207 PolarHBondContact O-N 3.44Å | ||
| 1195 | F | 92.3 | Very high | 85.6 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.018 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152.2 | 179.6 | -59.1 | -86.1 | 0 | 0 | 0 | 111 | V1153 V1163 L1183 I1185 E1193 I1204 K1205 F1210 F1218 F1220 V1240 | V1153-F1195 HydrophobicContact CG1-CE1 4.29Å; V1163-F1195 HydrophobicContact CG2-CD1 4.19Å; V1163-F1195 HydrophobicContact CG2-CE1 4.13Å; L1183-F1195 HydrophobicContact CD1-CB 4.04Å; I1185-F1195 HydrophobicContact CD1-CB 3.97Å; I1185-F1195 WeakPolarHBondContact CD1-O 3.35Å; E1193-F1195 VanDerWaalsContact C-N 3.26Å; E1193-F1195 PolarHBondContact O-N 3.2Å; F1195-I1204 HydrophobicContact CB-CG2 4.25Å; F1195-I1204 HydrophobicContact CD1-CG2 4.36Å; F1195-K1205 WeakPolarHBondContact CA-O 3.38Å; F1195-F1210 HydrophobicContact CE1-CE1 4.48Å; F1195-F1210 HydrophobicContact CE1-CE2 4.46Å; F1195-F1210 AromaticContact CE1-CZ 3.74Å; F1195-F1210 HydrophobicContact CE1-CZ 3.74Å; F1195-F1210 HydrophobicContact CE2-CE1 4.27Å; F1195-F1210 HydrophobicContact CE2-CZ 4.16Å; F1195-F1210 AromaticContact CZ-CE1 3.78Å; F1195-F1210 HydrophobicContact CZ-CE1 3.78Å; F1195-F1210 AromaticContact CZ-CZ 3.48Å; F1195-F1210 HydrophobicContact CZ-CZ 3.48Å; F1195-F1210 VanDerWaalsContact CZ-CZ 3.48Å; F1195-F1218 HydrophobicContact CE2-CB 3.68Å; F1195-F1218 HydrophobicContact CE2-CD1 4.26Å; F1195-F1218 AromaticContact CE2-CD2 3.89Å; F1195-F1218 HydrophobicContact CE2-CD2 3.89Å; F1195-F1218 AromaticContact CE2-CG 3.68Å; F1195-F1218 HydrophobicContact CE2-CG 3.68Å; F1195-F1218 HydrophobicContact CZ-CB 4.4Å; F1195-F1218 HydrophobicContact CZ-CD2 4.07Å; F1195-F1218 HydrophobicContact CZ-CG 4.32Å; F1195-F1220 HydrophobicContact CB-CZ 4.21Å; F1195-F1220 HydrophobicContact CD2-CD1 4.18Å; F1195-F1220 AromaticContact CD2-CE1 3.52Å; F1195-F1220 HydrophobicContact CD2-CE1 3.52Å; F1195-F1220 HydrophobicContact CD2-CZ 4.02Å; F1195-F1220 AromaticContact CE2-CE1 3.84Å; F1195-F1220 HydrophobicContact CE2-CE1 3.84Å; F1195-F1220 AromaticContact CG-CE1 3.98Å; F1195-F1220 HydrophobicContact CG-CE1 3.98Å; F1195-F1220 AromaticContact CG-CZ 3.99Å; F1195-F1220 HydrophobicContact CG-CZ 3.99Å; F1195-V1240 HydrophobicContact CE1-CB 4.22Å; F1195-V1240 HydrophobicContact CE1-CG1 3.83Å; F1195-V1240 HydrophobicContact CE1-CG2 4.15Å; F1195-V1240 HydrophobicContact CE2-CB 4.44Å; F1195-V1240 HydrophobicContact CZ-CB 3.82Å; F1195-V1240 HydrophobicContact CZ-CG1 3.66Å; F1195-V1240 HydrophobicContact CZ-CG2 4.13Å |
| 1196 | V | 92.3 | Very high | 85.9 | Confident | 46 Ų | 46 | 66.3 Ų | 66.3 | 28% | 0.279 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 158.5 | 170.2 | -70 | 0 | 0 | 0 | 0 | 109.4 | F1160 I1204 K1205 A1207 | F1160-V1196 HydrophobicContact CD1-CG2 4.3Å; F1160-V1196 HydrophobicContact CE1-CG2 4.26Å; V1196-I1204 CarbonylContact O-C 3.53Å; V1196-I1204 WeakPolarHBondContact O-CA 3.5Å; V1196-K1205 HydrophobicContact CG2-CB 4.13Å; V1196-K1205 PolarHBondContact N-O 2.83Å; V1196-K1205 PolarHBondContact O-N 3.43Å; V1196-A1207 HydrophobicContact CG1-CB 4.12Å |
| 1197 | V | 94.7 | Very high | 86 | Confident | 24 Ų | 24 | 63.7 Ų | 63.7 | 15% | 0.145 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 140.8 | 172.4 | 68.3 | 0 | 0 | 0 | 0 | 109.4 | Y1181 L1183 T1199 L1203 I1204 | Y1181-V1197 WeakPolarHBondContact O-CG1 3.24Å; L1183-V1197 HydrophobicContact CD1-CB 4.16Å; L1183-V1197 HydrophobicContact CD1-CG1 4.49Å; L1183-V1197 HydrophobicContact CD2-CB 4.1Å; L1183-V1197 HydrophobicContact CD2-CG1 4.13Å; L1183-V1197 HydrophobicContact CG-CB 3.91Å; L1183-V1197 HydrophobicContact CG-CG1 3.79Å; V1197-T1199 PolarHBondContact O-N 2.78Å; V1197-L1203 WeakPolarHBondContact CA-O 3.47Å; V1197-I1204 HydrophobicContact CB-CG1 4.23Å; V1197-I1204 HydrophobicContact CG2-CG1 3.89Å |
| 1198 | E | 93 | Very high | 86.3 | Confident | 69 Ų | 69 | 57.5 Ų | 57.5 | 32% | 0.322 | 30% | 0.296 | S | S | . | . | trans | -73.7 | 117.4 | 169.2 | -76.9 | -179.9 | 179.5 | 0 | 0 | 110.3 | Y1200 T1201 G1202 L1203 K1205 | E1198-Y1200 VanDerWaalsContact C-N 3.3Å; E1198-Y1200 PolarHBondContact O-N 3.3Å; E1198-Y1200 VanDerWaalsContact O-N 3.1Å; E1198-T1201 HydrophobicContact CB-CG2 4.31Å; E1198-T1201 WeakPolarHBondContact CB-OG1 2.91Å; E1198-T1201 PolarHBondContact O-N 2.83Å; E1198-T1201 WeakPolarHBondContact OE2-CG2 3.28Å; E1198-T1201 PolarHBondContact OE2-OG1 2.91Å; E1198-G1202 PolarHBondContact O-N 3.36Å; E1198-G1202 VanDerWaalsContact O-N 3.14Å; E1198-L1203 HydrophobicContact CB-CB 4.34Å; E1198-L1203 HydrophobicContact CG-CB 4.49Å; E1198-L1203 PolarHBondContact N-O 3.19Å; E1198-K1205 WeakPolarHBondContact OE1-CE 3.49Å; E1198-K1205 IonicContact OE1-NZ 2.86Å; E1198-K1205 PolarHBondContact OE1-NZ 2.76Å | ||
| 1199 | T | 92.1 | Very high | 86.7 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 41% | 0.405 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -43.7 | -167.9 | -42.5 | 0 | 0 | 0 | 0 | 113.9 | A1180 Y1181 V1197 | A1180-T1199 CarbonylContact C-O 3.57Å; A1180-T1199 WeakPolarHBondContact CA-O 3.23Å; A1180-T1199 HydrophobicContact CB-CG2 3.84Å; Y1181-T1199 VanDerWaalsContact CD2-O 3.28Å; Y1181-T1199 WeakPolarHBondContact CD2-O 3.23Å; Y1181-T1199 PolarHBondContact N-O 2.93Å; V1197-T1199 PolarHBondContact O-N 2.78Å |
| 1200 | Y | 90.7 | Very high | 87.3 | Confident | 149 Ų | 149 | 51 Ų | 51 | 58% | 0.584 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -9 | -173.7 | -48.5 | -56.7 | 0 | 0 | 0 | 114.2 | A1180 E1198 Y1228 | A1180-Y1200 HydrophobicContact CB-CD1 4.48Å; A1180-Y1200 HydrophobicContact CB-CE1 4.25Å; E1198-Y1200 VanDerWaalsContact C-N 3.3Å; E1198-Y1200 PolarHBondContact O-N 3.3Å; E1198-Y1200 VanDerWaalsContact O-N 3.1Å; Y1200-Y1228 HydrophobicContact CD1-CD1 4.13Å; Y1200-Y1228 AromaticContact CE1-CD1 3.82Å; Y1200-Y1228 HydrophobicContact CE1-CD1 3.82Å |
| 1201 | T | 89.7 | Confident | 88 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -18.1 | -177.3 | 78.9 | 0 | 0 | 0 | 0 | 113.2 | R1165 E1198 L1203 | R1165-T1201 PolarHBondContact NE-O 3.43Å; R1165-T1201 PolarHBondContact NH2-O 2.84Å; E1198-T1201 HydrophobicContact CB-CG2 4.31Å; E1198-T1201 WeakPolarHBondContact CB-OG1 2.91Å; E1198-T1201 PolarHBondContact O-N 2.83Å; E1198-T1201 WeakPolarHBondContact OE2-CG2 3.28Å; E1198-T1201 PolarHBondContact OE2-OG1 2.91Å; T1201-L1203 PolarHBondContact O-N 3.15Å; T1201-L1203 VanDerWaalsContact OG1-CB 3.3Å; T1201-L1203 WeakPolarHBondContact OG1-CB 3.35Å; T1201-L1203 PolarHBondContact OG1-N 3.07Å |
| 1202 | G | 92 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | 72.3 | 9.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1165 V1166 Y1181 E1198 I1204 | R1165-G1202 WeakPolarHBondContact CA-O 3.41Å; V1166-G1202 WeakPolarHBondContact CG2-O 3.33Å; V1166-G1202 PolarHBondContact N-O 3.11Å; Y1181-G1202 VanDerWaalsContact CD2-CA 3.46Å; E1198-G1202 PolarHBondContact O-N 3.36Å; E1198-G1202 VanDerWaalsContact O-N 3.14Å; G1202-I1204 PolarHBondContact O-N 2.93Å | ||
| 1203 | L | 93.4 | Very high | 89.3 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 20% | 0.199 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 115 | -177 | -176.6 | 58.3 | 0 | 0 | 0 | 111.3 | V1197 E1198 T1201 K1205 | V1197-L1203 WeakPolarHBondContact CA-O 3.47Å; E1198-L1203 HydrophobicContact CB-CB 4.34Å; E1198-L1203 HydrophobicContact CG-CB 4.49Å; E1198-L1203 PolarHBondContact N-O 3.19Å; T1201-L1203 PolarHBondContact O-N 3.15Å; T1201-L1203 VanDerWaalsContact OG1-CB 3.3Å; T1201-L1203 WeakPolarHBondContact OG1-CB 3.35Å; T1201-L1203 PolarHBondContact OG1-N 3.07Å; L1203-K1205 HydrophobicContact CG-CG 4.36Å |
| 1204 | I | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 132.2 | 176 | -57.3 | -175.9 | 0 | 0 | 0 | 109.5 | V1163 L1164 V1166 L1183 F1195 V1196 V1197 G1202 F1220 V1238 | V1163-I1204 HydrophobicContact CB-CG2 4.44Å; V1163-I1204 PolarHBondContact N-O 3.28Å; L1164-I1204 HydrophobicContact CD1-CD1 3.78Å; L1164-I1204 HydrophobicContact CD1-CG1 4.3Å; L1164-I1204 HydrophobicContact CG-CB 4.48Å; L1164-I1204 HydrophobicContact CG-CD1 4.27Å; L1164-I1204 PolarHBondContact O-N 3.48Å; V1166-I1204 HydrophobicContact CG1-CD1 3.88Å; V1166-I1204 HydrophobicContact CG1-CG1 4.48Å; L1183-I1204 HydrophobicContact CD1-CG2 4.4Å; L1183-I1204 HydrophobicContact CD2-CD1 4.11Å; F1195-I1204 HydrophobicContact CB-CG2 4.25Å; F1195-I1204 HydrophobicContact CD1-CG2 4.36Å; V1196-I1204 CarbonylContact O-C 3.53Å; V1196-I1204 WeakPolarHBondContact O-CA 3.5Å; V1197-I1204 HydrophobicContact CB-CG1 4.23Å; V1197-I1204 HydrophobicContact CG2-CG1 3.89Å; G1202-I1204 PolarHBondContact O-N 2.93Å; I1204-F1220 HydrophobicContact CD1-CE2 4.13Å; I1204-F1220 HydrophobicContact CG2-CZ 4.3Å; I1204-V1238 HydrophobicContact CD1-CG1 4.11Å; I1204-V1238 HydrophobicContact CD1-CG2 4.3Å |
| 1205 | K | 92.4 | Very high | 89.9 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 20% | 0.2 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 155 | -177.2 | -72.7 | 177.6 | 170 | 175.4 | 0 | 112.2 | A1161 F1195 V1196 E1198 L1203 | A1161-K1205 CarbonylContact O-C 3.6Å; A1161-K1205 VanDerWaalsContact O-CA 3.22Å; A1161-K1205 WeakPolarHBondContact O-CA 3.39Å; F1195-K1205 WeakPolarHBondContact CA-O 3.38Å; V1196-K1205 HydrophobicContact CG2-CB 4.13Å; V1196-K1205 PolarHBondContact N-O 2.83Å; V1196-K1205 PolarHBondContact O-N 3.43Å; E1198-K1205 WeakPolarHBondContact OE1-CE 3.49Å; E1198-K1205 IonicContact OE1-NZ 2.86Å; E1198-K1205 PolarHBondContact OE1-NZ 2.76Å; L1203-K1205 HydrophobicContact CG-CG 4.36Å |
| 1206 | T | 91.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 137.5 | 174.1 | 57.9 | 0 | 0 | 0 | 0 | 111.8 | V1153 R1158 F1160 A1161 V1163 F1210 | V1153-T1206 HydrophobicContact CG1-CG2 3.76Å; R1158-T1206 PolarHBondContact O-OG1 2.74Å; F1160-T1206 VanDerWaalsContact CA-O 3.31Å; F1160-T1206 WeakPolarHBondContact CA-O 3.5Å; F1160-T1206 PolarHBondContact N-O 3.06Å; F1160-T1206 PolarHBondContact N-OG1 3.38Å; A1161-T1206 HydrophobicContact CB-CG2 4.33Å; A1161-T1206 PolarHBondContact N-OG1 3.3Å; A1161-T1206 PolarHBondContact O-N 3.46Å; V1163-T1206 HydrophobicContact CG2-CG2 3.77Å; T1206-F1210 HydrophobicContact CG2-CE2 3.69Å; T1206-F1210 HydrophobicContact CG2-CZ 4.46Å |
| 1207 | A | 88.1 | Confident | 89.6 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -116.8 | 7.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | E1193 G1194 V1196 | E1193-A1207 HydrophobicContact CB-CB 4.17Å; G1194-A1207 PolarHBondContact O-N 3.44Å; V1196-A1207 HydrophobicContact CG1-CB 4.12Å |
| 1208 | M | 87.7 | Confident | 89.5 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -153 | 170.7 | 172.4 | 67.4 | -177.3 | -177.6 | 0 | 0 | 111.1 | I1188 K1192 F1210 F1218 | I1188-M1208 HydrophobicContact CD1-CE 4.2Å; I1188-M1208 HydrophobicContact CG2-CE 4.1Å; I1188-M1208 HydrophobicContact CG2-SD 4.24Å; K1192-M1208 HydrophobicContact CB-CB 4.48Å; K1192-M1208 HydrophobicContact CB-SD 3.74Å; K1192-M1208 HydrophobicContact CD-CB 4.32Å; K1192-M1208 HydrophobicContact CD-SD 3.81Å; K1192-M1208 HydrophobicContact CG-SD 4.36Å; M1208-F1210 HydrophobicContact CE-CD1 3.92Å; M1208-F1210 HydrophobicContact CE-CE1 3.37Å; M1208-F1210 HydrophobicContact CE-CZ 4.05Å; M1208-F1210 HydrophobicContact CG-CE1 4.13Å; M1208-F1210 HydrophobicContact CG-CE2 4.38Å; M1208-F1210 HydrophobicContact CG-CZ 3.97Å; M1208-F1210 WeakPolarHBondContact O-CE2 3.29Å; M1208-F1218 HydrophobicContact CE-CE1 3.6Å; M1208-F1218 HydrophobicContact CE-CE2 4.27Å; M1208-F1218 HydrophobicContact CE-CZ 3.4Å; M1208-F1218 VanDerWaalsContact CE-CZ 3.4Å |
| 1209 | L | 87.5 | Confident | 89.3 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 42% | 0.419 | 29% | 0.285 | S | S | . | . | trans | -90.5 | 143.2 | 171.2 | -57.4 | 176.8 | 0 | 0 | 0 | 110.5 | A1157 M1159 | A1157-L1209 VanDerWaalsContact O-CD2 3.31Å; A1157-L1209 WeakPolarHBondContact O-CD2 3.5Å; M1159-L1209 HydrophobicContact CG-CD2 3.89Å; M1159-L1209 HydrophobicContact CG-CG 4.19Å | ||
| 1210 | F | 87.2 | Confident | 89.3 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -107.3 | 26.6 | -173.2 | -59.7 | -89.6 | 0 | 0 | 0 | 113.7 | V1153 E1155 F1195 T1206 M1208 N1212 M1213 F1218 V1242 | V1153-F1210 HydrophobicContact CB-CD2 4.32Å; V1153-F1210 HydrophobicContact CB-CE2 4.43Å; V1153-F1210 HydrophobicContact CG2-CD1 4.15Å; V1153-F1210 HydrophobicContact CG2-CD2 3.78Å; V1153-F1210 HydrophobicContact CG2-CE1 4.29Å; V1153-F1210 HydrophobicContact CG2-CE2 3.95Å; V1153-F1210 HydrophobicContact CG2-CG 3.9Å; V1153-F1210 HydrophobicContact CG2-CZ 4.21Å; E1155-F1210 CarbonylContact O-C 3.59Å; F1195-F1210 HydrophobicContact CE1-CE1 4.48Å; F1195-F1210 HydrophobicContact CE1-CE2 4.46Å; F1195-F1210 AromaticContact CE1-CZ 3.74Å; F1195-F1210 HydrophobicContact CE1-CZ 3.74Å; F1195-F1210 HydrophobicContact CE2-CE1 4.27Å; F1195-F1210 HydrophobicContact CE2-CZ 4.16Å; F1195-F1210 AromaticContact CZ-CE1 3.78Å; F1195-F1210 HydrophobicContact CZ-CE1 3.78Å; F1195-F1210 AromaticContact CZ-CZ 3.48Å; F1195-F1210 HydrophobicContact CZ-CZ 3.48Å; F1195-F1210 VanDerWaalsContact CZ-CZ 3.48Å; T1206-F1210 HydrophobicContact CG2-CE2 3.69Å; T1206-F1210 HydrophobicContact CG2-CZ 4.46Å; M1208-F1210 HydrophobicContact CE-CD1 3.92Å; M1208-F1210 HydrophobicContact CE-CE1 3.37Å; M1208-F1210 HydrophobicContact CE-CZ 4.05Å; M1208-F1210 HydrophobicContact CG-CE1 4.13Å; M1208-F1210 HydrophobicContact CG-CE2 4.38Å; M1208-F1210 HydrophobicContact CG-CZ 3.97Å; M1208-F1210 WeakPolarHBondContact O-CE2 3.29Å; F1210-N1212 PolarHBondContact O-N 2.69Å; F1210-M1213 HydrophobicContact CB-CB 4.49Å; F1210-M1213 HydrophobicContact CD1-SD 4.3Å; F1210-M1213 VanDerWaalsContact O-CB 3.31Å; F1210-M1213 WeakPolarHBondContact O-CB 3.22Å; F1210-M1213 WeakPolarHBondContact O-CG 3.36Å; F1210-M1213 PolarHBondContact O-N 2.81Å; F1210-M1213 VanDerWaalsContact O-N 3.14Å; F1210-F1218 AromaticContact CD1-CE2 3.66Å; F1210-F1218 HydrophobicContact CD1-CE2 3.66Å; F1210-F1218 HydrophobicContact CD1-CZ 4.04Å; F1210-F1218 HydrophobicContact CE1-CD2 4.09Å; F1210-F1218 AromaticContact CE1-CE2 3.44Å; F1210-F1218 HydrophobicContact CE1-CE2 3.44Å; F1210-F1218 VanDerWaalsContact CE1-CE2 3.44Å; F1210-F1218 AromaticContact CE1-CZ 3.81Å; F1210-F1218 HydrophobicContact CE1-CZ 3.81Å; F1210-V1242 HydrophobicContact CB-CG1 3.9Å; F1210-V1242 HydrophobicContact CB-CG2 4.22Å; F1210-V1242 HydrophobicContact CD1-CG2 3.78Å; F1210-V1242 HydrophobicContact CG-CG2 4.25Å | ||
| 1211 | H | 85.9 | Confident | 89.5 | Confident | 111 Ų | 111 | 53 Ų | 53 | 51% | 0.514 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 129.6 | -177.2 | -63.3 | -10.2 | 0 | 0 | 0 | 112.9 | E1155 M1213 | E1155-H1211 PolarHBondContact O-N 2.77Å; E1155-H1211 PolarHBondContact O-ND1 3.36Å; H1211-M1213 PolarHBondContact O-N 3.47Å |
| 1212 | N | 84.5 | Confident | 89.7 | Confident | 155 Ų | 155 | 50.6 Ų | 50.6 | 83% | 0.829 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 23.4 | -177.9 | -48.4 | -75.8 | 0 | 0 | 0 | 114.8 | E1155 F1210 | E1155-N1212 WeakPolarHBondContact OE1-CA 3.27Å; E1155-N1212 PolarHBondContact OE1-N 3.31Å; E1155-N1212 VanDerWaalsContact OE1-N 3.15Å; F1210-N1212 PolarHBondContact O-N 2.69Å |
| 1213 | M | 87.5 | Confident | 89.9 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 29% | 0.286 | 24% | 0.244 | S | C | . | . | trans | -102.2 | 6.7 | 178.5 | -56.6 | -166 | 71.3 | 0 | 0 | 114.7 | E1155 F1210 H1211 R1215 S1216 F1218 V1242 | E1155-M1213 PolarHBondContact OE1-N 3.33Å; F1210-M1213 HydrophobicContact CB-CB 4.49Å; F1210-M1213 HydrophobicContact CD1-SD 4.3Å; F1210-M1213 VanDerWaalsContact O-CB 3.31Å; F1210-M1213 WeakPolarHBondContact O-CB 3.22Å; F1210-M1213 WeakPolarHBondContact O-CG 3.36Å; F1210-M1213 PolarHBondContact O-N 2.81Å; F1210-M1213 VanDerWaalsContact O-N 3.14Å; H1211-M1213 PolarHBondContact O-N 3.47Å; M1213-R1215 PolarHBondContact O-N 3.32Å; M1213-S1216 WeakPolarHBondContact O-CA 3.42Å; M1213-S1216 WeakPolarHBondContact O-CB 3.28Å; M1213-S1216 PolarHBondContact O-N 2.67Å; M1213-S1216 PolarHBondContact O-OG 3.13Å; M1213-F1218 HydrophobicContact CE-CE2 4.45Å; M1213-F1218 HydrophobicContact CE-CZ 3.71Å; M1213-F1218 HydrophobicContact SD-CZ 4.37Å; M1213-V1242 HydrophobicContact CB-CB 4.39Å; M1213-V1242 HydrophobicContact CB-CG1 4.08Å; M1213-V1242 HydrophobicContact CB-CG2 4.19Å | ||
| 1214 | R | 85.7 | Confident | 89.9 | Confident | 87 Ų | 87 | 49.7 Ų | 49.7 | 33% | 0.328 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -40.5 | 131.6 | 179.3 | -168.5 | -158.4 | 170 | -161 | -2.8 | 113.7 | E1155 S1216 D1247 | E1155-R1214 HydrophobicContact CG-CB 4.42Å; E1155-R1214 WeakPolarHBondContact OE1-CB 3.12Å; E1155-R1214 PolarHBondContact OE1-N 2.98Å; R1214-S1216 PolarHBondContact O-N 3.36Å; R1214-D1247 VanDerWaalsContact CG-OD2 3.27Å; R1214-D1247 WeakPolarHBondContact CG-OD2 3.31Å; R1214-D1247 IonicContact CZ-OD1 3.96Å; R1214-D1247 VanDerWaalsContact CZ-OD1 3.31Å; R1214-D1247 IonicContact CZ-OD2 3.46Å; R1214-D1247 VanDerWaalsContact NE-CG 3.32Å; R1214-D1247 IonicContact NE-OD1 3.78Å; R1214-D1247 PolarHBondContact NE-OD1 2.73Å; R1214-D1247 VanDerWaalsContact NE-OD1 3.13Å; R1214-D1247 IonicContact NE-OD2 3.58Å; R1214-D1247 PolarHBondContact NE-OD2 3.12Å; R1214-D1247 IonicContact NH2-OD1 3.38Å; R1214-D1247 PolarHBondContact NH2-OD1 2.76Å; R1214-D1247 IonicContact NH2-OD2 2.73Å |
| 1215 | R | 84.8 | Confident | 89.9 | Confident | 109 Ų | 109 | 50.2 Ų | 50.2 | 41% | 0.411 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 9.3 | -175.2 | -35.8 | -165.6 | 85.1 | -163.8 | 5.3 | 115.7 | M1213 V1242 R1319 A1320 | M1213-R1215 PolarHBondContact O-N 3.32Å; R1215-V1242 PolarHBondContact N-O 2.86Å; R1215-R1319 HydrophobicContact CB-CG 4.4Å; R1215-R1319 PolarHBondContact O-NE 2.85Å; R1215-R1319 VanDerWaalsContact O-NE 3.14Å; R1215-A1320 PolarHBondContact NH2-O 2.82Å |
| 1216 | S | 89.8 | Confident | 89.9 | Confident | 47 Ų | 47 | 48 Ų | 48 | 33% | 0.329 | 23% | 0.228 | S | C | . | . | trans | -74.7 | 156.9 | 155.7 | -51.5 | 0 | 0 | 0 | 0 | 109.6 | M1213 R1214 V1242 | M1213-S1216 WeakPolarHBondContact O-CA 3.42Å; M1213-S1216 WeakPolarHBondContact O-CB 3.28Å; M1213-S1216 PolarHBondContact O-N 2.67Å; M1213-S1216 PolarHBondContact O-OG 3.13Å; R1214-S1216 PolarHBondContact O-N 3.36Å; S1216-V1242 PolarHBondContact O-N 3.1Å | ||
| 1217 | Y | 89.8 | Confident | 89.8 | Confident | 109 Ų | 109 | 49.3 Ų | 49.3 | 43% | 0.427 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 158 | 174.2 | 62.5 | -95.6 | 0 | 0 | 0 | 110.5 | L1239 V1240 N1318 R1319 | Y1217-L1239 HydrophobicContact CD2-CD1 4.01Å; Y1217-L1239 HydrophobicContact CG-CD1 4.27Å; Y1217-V1240 CarbonylContact C-O 3.46Å; Y1217-V1240 VanDerWaalsContact CA-O 3.25Å; Y1217-V1240 WeakPolarHBondContact CA-O 3.44Å; Y1217-N1318 VanDerWaalsContact CB-O 3.23Å; Y1217-N1318 WeakPolarHBondContact CB-O 3.18Å; Y1217-N1318 HydrophobicContact CD1-CB 3.75Å; Y1217-N1318 WeakPolarHBondContact CD1-O 2.98Å; Y1217-N1318 HydrophobicContact CD2-CB 3.97Å; Y1217-N1318 HydrophobicContact CE1-CB 3.88Å; Y1217-N1318 HydrophobicContact CE2-CB 4.11Å; Y1217-N1318 HydrophobicContact CG-CB 3.81Å; Y1217-R1319 HydrophobicContact CD1-CG 4.42Å |
| 1218 | F | 90.6 | Very high | 89.9 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 119.8 | 176.2 | -59.1 | -92.9 | 0 | 0 | 0 | 107.5 | I1188 F1195 M1208 F1210 M1213 F1220 V1240 V1242 | I1188-F1218 HydrophobicContact CD1-CD1 3.95Å; I1188-F1218 HydrophobicContact CD1-CE1 3.94Å; I1188-F1218 HydrophobicContact CG1-CD1 4.36Å; I1188-F1218 HydrophobicContact CG1-CE1 4.28Å; I1188-F1218 HydrophobicContact CG2-CE1 4.37Å; F1195-F1218 HydrophobicContact CE2-CB 3.68Å; F1195-F1218 HydrophobicContact CE2-CD1 4.26Å; F1195-F1218 AromaticContact CE2-CD2 3.89Å; F1195-F1218 HydrophobicContact CE2-CD2 3.89Å; F1195-F1218 AromaticContact CE2-CG 3.68Å; F1195-F1218 HydrophobicContact CE2-CG 3.68Å; F1195-F1218 HydrophobicContact CZ-CB 4.4Å; F1195-F1218 HydrophobicContact CZ-CD2 4.07Å; F1195-F1218 HydrophobicContact CZ-CG 4.32Å; M1208-F1218 HydrophobicContact CE-CE1 3.6Å; M1208-F1218 HydrophobicContact CE-CE2 4.27Å; M1208-F1218 HydrophobicContact CE-CZ 3.4Å; M1208-F1218 VanDerWaalsContact CE-CZ 3.4Å; F1210-F1218 AromaticContact CD1-CE2 3.66Å; F1210-F1218 HydrophobicContact CD1-CE2 3.66Å; F1210-F1218 HydrophobicContact CD1-CZ 4.04Å; F1210-F1218 HydrophobicContact CE1-CD2 4.09Å; F1210-F1218 AromaticContact CE1-CE2 3.44Å; F1210-F1218 HydrophobicContact CE1-CE2 3.44Å; F1210-F1218 VanDerWaalsContact CE1-CE2 3.44Å; F1210-F1218 AromaticContact CE1-CZ 3.81Å; F1210-F1218 HydrophobicContact CE1-CZ 3.81Å; M1213-F1218 HydrophobicContact CE-CE2 4.45Å; M1213-F1218 HydrophobicContact CE-CZ 3.71Å; M1213-F1218 HydrophobicContact SD-CZ 4.37Å; F1218-F1220 HydrophobicContact CB-CD1 4.23Å; F1218-F1220 HydrophobicContact CB-CE1 4.37Å; F1218-V1240 PolarHBondContact N-O 3.02Å; F1218-V1240 PolarHBondContact O-N 3.37Å; F1218-V1242 HydrophobicContact CD2-CG2 4.38Å; F1218-V1242 HydrophobicContact CE2-CG2 3.77Å |
| 1219 | K | 90.8 | Very high | 89.8 | Confident | 89 Ų | 89 | 55.6 Ų | 55.6 | 39% | 0.387 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.4 | 169.1 | -174.2 | 174.4 | 177.9 | 177.1 | 0 | 108.6 | P1186 D1237 V1238 | P1186-K1219 WeakPolarHBondContact CD-O 3.25Å; P1186-K1219 WeakPolarHBondContact CG-O 3.32Å; K1219-D1237 VanDerWaalsContact CE-CG 3.42Å; K1219-D1237 WeakPolarHBondContact CE-OD2 3.22Å; K1219-D1237 IonicContact NZ-OD2 2.67Å; K1219-D1237 PolarHBondContact NZ-OD2 3.34Å; K1219-V1238 WeakPolarHBondContact CA-O 3.31Å |
| 1220 | F | 92.2 | Very high | 89.7 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 172.2 | -179.7 | 53.2 | -91.2 | 0 | 0 | 0 | 109.4 | L1183 I1184 I1185 F1195 I1204 F1218 V1238 V1240 | L1183-F1220 HydrophobicContact CD1-CD2 4.3Å; L1183-F1220 HydrophobicContact CD1-CE2 3.88Å; L1183-F1220 HydrophobicContact CD2-CD2 4.09Å; L1183-F1220 HydrophobicContact CD2-CE2 3.9Å; L1183-F1220 HydrophobicContact CG-CE2 4.43Å; I1184-F1220 WeakPolarHBondContact O-CB 3.5Å; I1185-F1220 HydrophobicContact CB-CB 4.32Å; I1185-F1220 HydrophobicContact CG1-CB 3.99Å; I1185-F1220 HydrophobicContact CG1-CD2 4.32Å; I1185-F1220 HydrophobicContact CG1-CG 4.15Å; I1185-F1220 HydrophobicContact CG2-CB 4.47Å; F1195-F1220 HydrophobicContact CB-CZ 4.21Å; F1195-F1220 HydrophobicContact CD2-CD1 4.18Å; F1195-F1220 AromaticContact CD2-CE1 3.52Å; F1195-F1220 HydrophobicContact CD2-CE1 3.52Å; F1195-F1220 HydrophobicContact CD2-CZ 4.02Å; F1195-F1220 AromaticContact CE2-CE1 3.84Å; F1195-F1220 HydrophobicContact CE2-CE1 3.84Å; F1195-F1220 AromaticContact CG-CE1 3.98Å; F1195-F1220 HydrophobicContact CG-CE1 3.98Å; F1195-F1220 AromaticContact CG-CZ 3.99Å; F1195-F1220 HydrophobicContact CG-CZ 3.99Å; I1204-F1220 HydrophobicContact CD1-CE2 4.13Å; I1204-F1220 HydrophobicContact CG2-CZ 4.3Å; F1218-F1220 HydrophobicContact CB-CD1 4.23Å; F1218-F1220 HydrophobicContact CB-CE1 4.37Å; F1220-V1238 HydrophobicContact CD2-CB 3.88Å; F1220-V1238 HydrophobicContact CD2-CG1 4.36Å; F1220-V1238 HydrophobicContact CD2-CG2 4.34Å; F1220-V1238 HydrophobicContact CE1-CG1 4.34Å; F1220-V1238 HydrophobicContact CE2-CB 3.65Å; F1220-V1238 HydrophobicContact CE2-CG1 3.65Å; F1220-V1238 HydrophobicContact CE2-CG2 4.12Å; F1220-V1238 HydrophobicContact CG-CB 4.46Å; F1220-V1238 HydrophobicContact CZ-CB 4.06Å; F1220-V1238 HydrophobicContact CZ-CG1 3.64Å; F1220-V1238 PolarHBondContact N-O 3.32Å; F1220-V1238 PolarHBondContact O-N 2.81Å; F1220-V1238 VanDerWaalsContact O-O 3.12Å; F1220-V1240 HydrophobicContact CE1-CB 4.39Å; F1220-V1240 HydrophobicContact CE1-CG2 3.69Å; F1220-V1240 HydrophobicContact CZ-CG2 3.82Å |
| 1221 | Q | 93.6 | Very high | 89.9 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 145.4 | 177.6 | -80.5 | 174.8 | -11.2 | 0 | 0 | 110.8 | L1183 I1184 A1236 D1237 | L1183-Q1221 CarbonylContact C-O 3.58Å; L1183-Q1221 WeakPolarHBondContact CA-O 3.31Å; I1184-Q1221 HydrophobicContact CB-CB 4.43Å; I1184-Q1221 PolarHBondContact N-O 2.83Å; I1184-Q1221 PolarHBondContact O-N 2.88Å; Q1221-A1236 WeakPolarHBondContact CA-O 3.3Å; Q1221-D1237 WeakPolarHBondContact CG-OD1 3.09Å; Q1221-D1237 PolarHBondContact NE2-OD1 2.98Å |
| 1222 | V | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 139.3 | 164.8 | 65.1 | 0 | 0 | 0 | 0 | 108.6 | F1144 V1166 Y1181 R1182 L1183 K1235 A1236 V1238 | F1144-V1222 HydrophobicContact CD1-CG1 4.48Å; F1144-V1222 HydrophobicContact CE1-CG1 3.71Å; F1144-V1222 HydrophobicContact CE1-CG2 4.33Å; F1144-V1222 HydrophobicContact CE2-CG1 4.41Å; F1144-V1222 HydrophobicContact CZ-CB 4.39Å; F1144-V1222 HydrophobicContact CZ-CG1 3.66Å; F1144-V1222 HydrophobicContact CZ-CG2 4.07Å; V1166-V1222 HydrophobicContact CG1-CG1 4.17Å; V1166-V1222 HydrophobicContact CG2-CG2 4Å; Y1181-V1222 HydrophobicContact CD1-CG2 4.31Å; R1182-V1222 WeakPolarHBondContact O-CA 3.12Å; L1183-V1222 HydrophobicContact CD2-CB 3.8Å; L1183-V1222 HydrophobicContact CD2-CG2 3.8Å; V1222-K1235 VanDerWaalsContact O-CA 3.31Å; V1222-K1235 WeakPolarHBondContact O-CA 3.29Å; V1222-A1236 HydrophobicContact CG1-CB 3.88Å; V1222-A1236 PolarHBondContact N-O 2.97Å; V1222-A1236 PolarHBondContact O-N 3.32Å; V1222-V1238 HydrophobicContact CB-CG2 3.95Å; V1222-V1238 HydrophobicContact CG1-CG2 3.68Å |
| 1223 | I | 95 | Very high | 90.5 | Very high | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 137.5 | 171.3 | -70.6 | 174.6 | 0 | 0 | 0 | 107.1 | Y1181 R1182 I1184 T1225 G1234 K1235 | Y1181-I1223 VanDerWaalsContact CA-O 3.32Å; Y1181-I1223 WeakPolarHBondContact CA-O 3.31Å; R1182-I1223 HydrophobicContact CG-CB 3.98Å; R1182-I1223 HydrophobicContact CG-CG2 4.3Å; R1182-I1223 PolarHBondContact N-O 3.12Å; R1182-I1223 PolarHBondContact O-N 2.83Å; I1184-I1223 HydrophobicContact CD1-CD1 3.55Å; I1184-I1223 HydrophobicContact CG1-CD1 4.24Å; I1223-T1225 WeakPolarHBondContact CG2-OG1 3.29Å; I1223-G1234 VanDerWaalsContact CA-O 3.31Å; I1223-G1234 WeakPolarHBondContact CA-O 3.47Å; I1223-G1234 WeakPolarHBondContact CG2-O 3.42Å; I1223-K1235 HydrophobicContact CG1-CB 4.09Å |
| 1224 | A | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | P1142 F1144 A1168 M1179 A1180 Y1181 S1233 G1234 | P1142-A1224 HydrophobicContact CB-CB 4.05Å; F1144-A1224 HydrophobicContact CE1-CB 4.22Å; F1144-A1224 HydrophobicContact CE2-CB 3.64Å; F1144-A1224 HydrophobicContact CZ-CB 3.44Å; F1144-A1224 VanDerWaalsContact CZ-CB 3.44Å; A1168-A1224 HydrophobicContact CB-CB 3.65Å; M1179-A1224 HydrophobicContact SD-CB 4.06Å; A1180-A1224 WeakPolarHBondContact O-CA 3.29Å; Y1181-A1224 HydrophobicContact CD1-CB 3.86Å; Y1181-A1224 HydrophobicContact CE1-CB 3.71Å; A1224-S1233 CarbonylContact O-C 3.58Å; A1224-S1233 VanDerWaalsContact O-CA 3.32Å; A1224-S1233 WeakPolarHBondContact O-CA 3.27Å; A1224-G1234 PolarHBondContact N-O 3.04Å; A1224-G1234 VanDerWaalsContact N-O 3.12Å; A1224-G1234 PolarHBondContact O-N 3.48Å |
| 1225 | T | 93.5 | Very high | 91.1 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 122.3 | 178.3 | -57.4 | 0 | 0 | 0 | 0 | 106.5 | A1180 I1223 G1229 L1232 S1233 | A1180-T1225 WeakPolarHBondContact CB-O 3.4Å; A1180-T1225 PolarHBondContact N-O 2.82Å; A1180-T1225 PolarHBondContact O-N 3.22Å; I1223-T1225 WeakPolarHBondContact CG2-OG1 3.29Å; T1225-G1229 PolarHBondContact O-N 2.67Å; T1225-L1232 WeakPolarHBondContact CA-O 3.49Å; T1225-L1232 VanDerWaalsContact CG2-O 3.25Å; T1225-L1232 WeakPolarHBondContact CG2-O 3.37Å; T1225-S1233 PolarHBondContact OG1-OG 2.71Å |
| 1226 | D | 92 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -70.3 | -177.6 | 176.7 | 49.3 | 76.3 | 0 | 0 | 0 | 113.3 | N1138 P1142 Y1176 M1179 Y1228 G1229 K1230 G1231 L1232 | N1138-D1226 PolarHBondContact ND2-OD1 2.54Å; N1138-D1226 PolarHBondContact OD1-OD1 3.48Å; P1142-D1226 WeakPolarHBondContact CD-OD2 3.26Å; P1142-D1226 HydrophobicContact CG-CB 4.19Å; P1142-D1226 WeakPolarHBondContact CG-OD2 3.39Å; Y1176-D1226 WeakPolarHBondContact O-CB 3.27Å; M1179-D1226 HydrophobicContact CE-CB 3.92Å; D1226-Y1228 PolarHBondContact O-N 3.48Å; D1226-G1229 CarbonylContact O-C 3.28Å; D1226-G1229 WeakPolarHBondContact O-CA 3.19Å; D1226-G1229 PolarHBondContact O-N 3.1Å; D1226-K1230 PolarHBondContact O-N 2.62Å; D1226-G1231 PolarHBondContact O-N 3.19Å; D1226-G1231 WeakPolarHBondContact OD1-CA 3.39Å; D1226-L1232 PolarHBondContact OD1-N 2.97Å; D1226-L1232 VanDerWaalsContact OD2-CA 3.28Å; D1226-L1232 WeakPolarHBondContact OD2-CA 3.48Å; D1226-L1232 WeakPolarHBondContact OD2-CB 3.36Å; D1226-L1232 PolarHBondContact OD2-N 2.86Å; D1226-L1232 VanDerWaalsContact OD2-N 3.09Å |
| 1227 | D | 90.4 | Very high | 91.7 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 16% | 0.155 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.8 | 47 | -167.6 | -175.7 | 34.6 | 0 | 0 | 0 | 112.6 | N1175 Y1176 G1229 K1230 | N1175-D1227 VanDerWaalsContact O-CA 3.26Å; N1175-D1227 WeakPolarHBondContact O-CA 3.47Å; N1175-D1227 PolarHBondContact O-N 3.05Å; Y1176-D1227 HydrophobicContact CD1-CB 4.23Å; Y1176-D1227 HydrophobicContact CE1-CB 4.46Å; D1227-G1229 PolarHBondContact O-N 2.65Å; D1227-K1230 HydrophobicContact CB-CB 4.21Å; D1227-K1230 VanDerWaalsContact CG-NZ 3.27Å; D1227-K1230 WeakPolarHBondContact O-CG 3.42Å; D1227-K1230 PolarHBondContact O-N 3.46Å; D1227-K1230 IonicContact OD1-NZ 3.82Å; D1227-K1230 PolarHBondContact OD1-NZ 3.25Å; D1227-K1230 WeakPolarHBondContact OD2-CB 3.4Å; D1227-K1230 WeakPolarHBondContact OD2-CD 3.4Å; D1227-K1230 IonicContact OD2-NZ 2.86Å; D1227-K1230 PolarHBondContact OD2-NZ 3.44Å |
| 1228 | Y | 89.3 | Confident | 91.9 | Very high | 122 Ų | 122 | 44 Ų | 44 | 48% | 0.478 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 22.6 | -176.2 | -58.8 | -85.9 | 0 | 0 | 0 | 114.4 | N1175 A1178 A1180 Y1200 D1226 | N1175-Y1228 HydrophobicContact CB-CE2 4.4Å; A1178-Y1228 HydrophobicContact CB-CD1 4.37Å; A1178-Y1228 HydrophobicContact CB-CD2 4.13Å; A1178-Y1228 HydrophobicContact CB-CE1 4.03Å; A1178-Y1228 HydrophobicContact CB-CE2 3.78Å; A1178-Y1228 HydrophobicContact CB-CG 4.42Å; A1178-Y1228 PolarHBondContact O-N 2.83Å; A1180-Y1228 WeakPolarHBondContact CB-O 3.26Å; Y1200-Y1228 HydrophobicContact CD1-CD1 4.13Å; Y1200-Y1228 AromaticContact CE1-CD1 3.82Å; Y1200-Y1228 HydrophobicContact CE1-CD1 3.82Å; D1226-Y1228 PolarHBondContact O-N 3.48Å |
| 1229 | G | 85.8 | Confident | 91.9 | Very high | 40 Ų | 40 | 42.7 Ų | 42.7 | 41% | 0.412 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 114 | 22.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | T1225 D1226 D1227 | T1225-G1229 PolarHBondContact O-N 2.67Å; D1226-G1229 CarbonylContact O-C 3.28Å; D1226-G1229 WeakPolarHBondContact O-CA 3.19Å; D1226-G1229 PolarHBondContact O-N 3.1Å; D1227-G1229 PolarHBondContact O-N 2.65Å |
| 1230 | K | 87 | Confident | 92 | Very high | 152 Ų | 152 | 38.5 Ų | 38.5 | 66% | 0.661 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -32.6 | -174.8 | -58.7 | -168.5 | -132.4 | 102.5 | 0 | 116 | D1226 D1227 | D1226-K1230 PolarHBondContact O-N 2.62Å; D1227-K1230 HydrophobicContact CB-CB 4.21Å; D1227-K1230 VanDerWaalsContact CG-NZ 3.27Å; D1227-K1230 WeakPolarHBondContact O-CG 3.42Å; D1227-K1230 PolarHBondContact O-N 3.46Å; D1227-K1230 IonicContact OD1-NZ 3.82Å; D1227-K1230 PolarHBondContact OD1-NZ 3.25Å; D1227-K1230 WeakPolarHBondContact OD2-CB 3.4Å; D1227-K1230 WeakPolarHBondContact OD2-CD 3.4Å; D1227-K1230 IonicContact OD2-NZ 2.86Å; D1227-K1230 PolarHBondContact OD2-NZ 3.44Å |
| 1231 | G | 89.5 | Confident | 92 | Very high | 34 Ų | 34 | 38.2 Ų | 38.2 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -91.5 | -130.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1226 | D1226-G1231 PolarHBondContact O-N 3.19Å; D1226-G1231 WeakPolarHBondContact OD1-CA 3.39Å |
| 1232 | L | 90.4 | Very high | 91.9 | Very high | 64 Ų | 64 | 34.9 Ų | 34.9 | 34% | 0.335 | 19% | 0.189 | S | C | . | . | trans | -68.6 | 177.9 | -177.9 | -70.4 | 173.3 | 0 | 0 | 0 | 112.1 | N1138 D1139 H1140 P1141 T1225 D1226 | N1138-L1232 WeakPolarHBondContact OD1-CD1 3.25Å; N1138-L1232 WeakPolarHBondContact OD1-CG 3.42Å; N1138-L1232 PolarHBondContact OD1-N 2.83Å; D1139-L1232 WeakPolarHBondContact O-CD1 3.39Å; H1140-L1232 WeakPolarHBondContact O-CD1 3.19Å; P1141-L1232 HydrophobicContact CB-CB 4.06Å; P1141-L1232 HydrophobicContact CB-CD1 4.29Å; T1225-L1232 WeakPolarHBondContact CA-O 3.49Å; T1225-L1232 VanDerWaalsContact CG2-O 3.25Å; T1225-L1232 WeakPolarHBondContact CG2-O 3.37Å; D1226-L1232 PolarHBondContact OD1-N 2.97Å; D1226-L1232 VanDerWaalsContact OD2-CA 3.28Å; D1226-L1232 WeakPolarHBondContact OD2-CA 3.48Å; D1226-L1232 WeakPolarHBondContact OD2-CB 3.36Å; D1226-L1232 PolarHBondContact OD2-N 2.86Å; D1226-L1232 VanDerWaalsContact OD2-N 3.09Å | ||
| 1233 | S | 93 | Very high | 91.7 | Very high | 62 Ų | 62 | 34.9 Ų | 34.9 | 43% | 0.434 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 113.9 | -170.4 | -76 | 0 | 0 | 0 | 0 | 115.9 | A1224 T1225 | A1224-S1233 CarbonylContact O-C 3.58Å; A1224-S1233 VanDerWaalsContact O-CA 3.32Å; A1224-S1233 WeakPolarHBondContact O-CA 3.27Å; T1225-S1233 PolarHBondContact OG1-OG 2.71Å |
| 1234 | G | 92.6 | Very high | 91.4 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 9% | 0.093 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 160.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1142 I1223 A1224 | P1142-G1234 WeakPolarHBondContact O-CA 3.33Å; I1223-G1234 VanDerWaalsContact CA-O 3.31Å; I1223-G1234 WeakPolarHBondContact CA-O 3.47Å; I1223-G1234 WeakPolarHBondContact CG2-O 3.42Å; A1224-G1234 PolarHBondContact N-O 3.04Å; A1224-G1234 VanDerWaalsContact N-O 3.12Å; A1224-G1234 PolarHBondContact O-N 3.48Å |
| 1235 | K | 93.4 | Very high | 90.9 | Very high | 150 Ų | 150 | 39.1 Ų | 39.1 | 65% | 0.652 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 146.7 | 168.6 | 70.9 | -173 | 177.7 | -169.4 | 0 | 113.3 | V1222 I1223 | V1222-K1235 VanDerWaalsContact O-CA 3.31Å; V1222-K1235 WeakPolarHBondContact O-CA 3.29Å; I1223-K1235 HydrophobicContact CG1-CB 4.09Å |
| 1236 | A | 93.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 150.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1144 Y1149 Q1221 V1222 | F1144-A1236 HydrophobicContact CB-CB 3.98Å; F1144-A1236 HydrophobicContact CD1-CB 4.02Å; F1144-A1236 HydrophobicContact CD2-CB 3.83Å; F1144-A1236 HydrophobicContact CE1-CB 4.46Å; F1144-A1236 HydrophobicContact CE2-CB 4.29Å; F1144-A1236 HydrophobicContact CG-CB 3.67Å; Y1149-A1236 HydrophobicContact CD2-CB 4.1Å; Y1149-A1236 HydrophobicContact CE2-CB 4.14Å; Q1221-A1236 WeakPolarHBondContact CA-O 3.3Å; V1222-A1236 HydrophobicContact CG1-CB 3.88Å; V1222-A1236 PolarHBondContact N-O 2.97Å; V1222-A1236 PolarHBondContact O-N 3.32Å |
| 1237 | D | 93.2 | Very high | 90.4 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 140.5 | 171.8 | -89.9 | -2.7 | 0 | 0 | 0 | 109.6 | K1147 F1148 Y1149 K1219 Q1221 | K1147-D1237 PolarHBondContact O-N 3.45Å; K1147-D1237 VanDerWaalsContact O-N 3.09Å; F1148-D1237 CarbonylContact C-O 3.59Å; F1148-D1237 WeakPolarHBondContact CA-O 3.4Å; F1148-D1237 HydrophobicContact CD2-CB 3.56Å; F1148-D1237 HydrophobicContact CE2-CB 3.98Å; Y1149-D1237 PolarHBondContact N-O 3.44Å; K1219-D1237 VanDerWaalsContact CE-CG 3.42Å; K1219-D1237 WeakPolarHBondContact CE-OD2 3.22Å; K1219-D1237 IonicContact NZ-OD2 2.67Å; K1219-D1237 PolarHBondContact NZ-OD2 3.34Å; Q1221-D1237 WeakPolarHBondContact CG-OD1 3.09Å; Q1221-D1237 PolarHBondContact NE2-OD1 2.98Å |
| 1238 | V | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133 | 177.5 | -171 | 0 | 0 | 0 | 0 | 110 | Y1149 L1164 I1204 K1219 F1220 V1222 V1240 | Y1149-V1238 WeakPolarHBondContact O-CA 3.32Å; L1164-V1238 HydrophobicContact CD2-CG1 3.94Å; I1204-V1238 HydrophobicContact CD1-CG1 4.11Å; I1204-V1238 HydrophobicContact CD1-CG2 4.3Å; K1219-V1238 WeakPolarHBondContact CA-O 3.31Å; F1220-V1238 HydrophobicContact CD2-CB 3.88Å; F1220-V1238 HydrophobicContact CD2-CG1 4.36Å; F1220-V1238 HydrophobicContact CD2-CG2 4.34Å; F1220-V1238 HydrophobicContact CE1-CG1 4.34Å; F1220-V1238 HydrophobicContact CE2-CB 3.65Å; F1220-V1238 HydrophobicContact CE2-CG1 3.65Å; F1220-V1238 HydrophobicContact CE2-CG2 4.12Å; F1220-V1238 HydrophobicContact CG-CB 4.46Å; F1220-V1238 HydrophobicContact CZ-CB 4.06Å; F1220-V1238 HydrophobicContact CZ-CG1 3.64Å; F1220-V1238 PolarHBondContact N-O 3.32Å; F1220-V1238 PolarHBondContact O-N 2.81Å; F1220-V1238 VanDerWaalsContact O-O 3.12Å; V1222-V1238 HydrophobicContact CB-CG2 3.95Å; V1222-V1238 HydrophobicContact CG1-CG2 3.68Å; V1238-V1240 HydrophobicContact CG1-CG2 4.4Å |
| 1239 | L | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.9 | 175.1 | 172.6 | 65.1 | 0 | 0 | 0 | 110.4 | F1148 Y1149 I1150 G1151 Y1217 I1313 N1318 | F1148-L1239 HydrophobicContact CE1-CB 4.28Å; F1148-L1239 HydrophobicContact CE1-CD2 4.22Å; F1148-L1239 HydrophobicContact CE2-CB 4.49Å; F1148-L1239 HydrophobicContact CZ-CB 3.81Å; F1148-L1239 HydrophobicContact CZ-CD2 4.04Å; Y1149-L1239 PolarHBondContact O-N 3.41Å; I1150-L1239 WeakPolarHBondContact CA-O 3.43Å; I1150-L1239 HydrophobicContact CG2-CD2 4.31Å; G1151-L1239 PolarHBondContact N-O 3.38Å; Y1217-L1239 HydrophobicContact CD2-CD1 4.01Å; Y1217-L1239 HydrophobicContact CG-CD1 4.27Å; L1239-I1313 HydrophobicContact CD2-CG2 4.33Å; L1239-N1318 HydrophobicContact CD1-CB 3.98Å; L1239-N1318 WeakPolarHBondContact CD1-OD1 3.36Å; L1239-N1318 HydrophobicContact CD2-CB 4.2Å |
| 1240 | V | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 117.6 | 171.7 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | G1151 V1153 V1163 F1195 Y1217 F1218 F1220 V1238 | G1151-V1240 VanDerWaalsContact O-CA 3.31Å; G1151-V1240 WeakPolarHBondContact O-CA 3.31Å; V1153-V1240 HydrophobicContact CG1-CG1 3.95Å; V1153-V1240 HydrophobicContact CG2-CG1 4.06Å; V1163-V1240 HydrophobicContact CG1-CG1 3.86Å; V1163-V1240 HydrophobicContact CG1-CG2 3.89Å; F1195-V1240 HydrophobicContact CE1-CB 4.22Å; F1195-V1240 HydrophobicContact CE1-CG1 3.83Å; F1195-V1240 HydrophobicContact CE1-CG2 4.15Å; F1195-V1240 HydrophobicContact CE2-CB 4.44Å; F1195-V1240 HydrophobicContact CZ-CB 3.82Å; F1195-V1240 HydrophobicContact CZ-CG1 3.66Å; F1195-V1240 HydrophobicContact CZ-CG2 4.13Å; Y1217-V1240 CarbonylContact C-O 3.46Å; Y1217-V1240 VanDerWaalsContact CA-O 3.25Å; Y1217-V1240 WeakPolarHBondContact CA-O 3.44Å; F1218-V1240 PolarHBondContact N-O 3.02Å; F1218-V1240 PolarHBondContact O-N 3.37Å; F1220-V1240 HydrophobicContact CE1-CB 4.39Å; F1220-V1240 HydrophobicContact CE1-CG2 3.69Å; F1220-V1240 HydrophobicContact CZ-CG2 3.82Å; V1238-V1240 HydrophobicContact CG1-CG2 4.4Å |
| 1241 | S | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 139 | 174.5 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | G1151 G1152 V1153 A1320 | G1151-S1241 PolarHBondContact O-N 2.98Å; G1151-S1241 VanDerWaalsContact O-N 3.16Å; G1152-S1241 WeakPolarHBondContact CA-O 3.19Å; V1153-S1241 PolarHBondContact N-O 3.25Å; S1241-A1320 PolarHBondContact OG-N 3.28Å |
| 1242 | V | 91.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 130 | 171.1 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | V1153 E1155 F1210 M1213 R1215 S1216 F1218 | V1153-V1242 HydrophobicContact CG2-CG2 4.05Å; V1153-V1242 WeakPolarHBondContact O-CA 3.39Å; E1155-V1242 HydrophobicContact CG-CG1 3.79Å; F1210-V1242 HydrophobicContact CB-CG1 3.9Å; F1210-V1242 HydrophobicContact CB-CG2 4.22Å; F1210-V1242 HydrophobicContact CD1-CG2 3.78Å; F1210-V1242 HydrophobicContact CG-CG2 4.25Å; M1213-V1242 HydrophobicContact CB-CB 4.39Å; M1213-V1242 HydrophobicContact CB-CG1 4.08Å; M1213-V1242 HydrophobicContact CB-CG2 4.19Å; R1215-V1242 PolarHBondContact N-O 2.86Å; S1216-V1242 PolarHBondContact O-N 3.1Å; F1218-V1242 HydrophobicContact CD2-CG2 4.38Å; F1218-V1242 HydrophobicContact CE2-CG2 3.77Å |
| 1243 | V | 90.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 169.2 | -178.1 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | V1153 S1154 E1155 D1247 M1248 Y1311 A1320 | V1153-V1243 PolarHBondContact O-N 3.41Å; S1154-V1243 CarbonylContact C-O 3.49Å; S1154-V1243 VanDerWaalsContact CA-O 3.29Å; S1154-V1243 WeakPolarHBondContact CA-O 3.32Å; E1155-V1243 PolarHBondContact N-O 3.47Å; V1243-D1247 HydrophobicContact CB-CB 4.34Å; V1243-M1248 HydrophobicContact CB-CE 4.47Å; V1243-M1248 HydrophobicContact CG2-CE 3.63Å; V1243-Y1311 HydrophobicContact CB-CD2 4.32Å; V1243-Y1311 HydrophobicContact CB-CE2 4.31Å; V1243-Y1311 HydrophobicContact CG1-CD2 3.67Å; V1243-Y1311 HydrophobicContact CG1-CE2 3.71Å; V1243-Y1311 HydrophobicContact CG1-CG 4.35Å; V1243-Y1311 HydrophobicContact CG2-CD1 4.12Å; V1243-Y1311 HydrophobicContact CG2-CD2 4.04Å; V1243-Y1311 HydrophobicContact CG2-CE1 3.83Å; V1243-Y1311 HydrophobicContact CG2-CE2 3.69Å; V1243-Y1311 HydrophobicContact CG2-CG 4.21Å; V1243-A1320 HydrophobicContact CG1-CB 3.68Å |
| 1244 | N | 88.4 | Confident | 91.5 | Very high | 28 Ų | 28 | 20.5 Ų | 20.5 | 15% | 0.15 | 10% | 0.102 | C | C | . | . | trans | -146.6 | -175.5 | 160 | 72.5 | 23.4 | 0 | 0 | 0 | 110.6 | E1155 L1246 D1247 | E1155-N1244 HydrophobicContact CB-CB 4.47Å; E1155-N1244 HydrophobicContact CG-CB 4.15Å; E1155-N1244 WeakPolarHBondContact OE2-CB 3.3Å; E1155-N1244 PolarHBondContact OE2-ND2 2.77Å; N1244-L1246 PolarHBondContact O-N 3.47Å; N1244-L1246 WeakPolarHBondContact OD1-CB 3Å; N1244-L1246 WeakPolarHBondContact OD1-CG 3.46Å; N1244-L1246 PolarHBondContact OD1-N 2.96Å; N1244-D1247 PolarHBondContact N-OD2 2.86Å; N1244-D1247 PolarHBondContact O-N 3.3Å | ||
| 1245 | Q | 85.6 | Confident | 91.5 | Very high | 79 Ų | 79 | 20.5 Ų | 20.5 | 37% | 0.369 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -10.9 | -178.3 | -61.5 | -173.8 | 6 | 0 | 0 | 115.3 | M1248 P1357 A1359 V1360 | Q1245-M1248 HydrophobicContact CB-SD 4.49Å; Q1245-M1248 HydrophobicContact CG-SD 4.14Å; Q1245-P1357 HydrophobicContact CB-CB 4.27Å; Q1245-A1359 VanDerWaalsContact OE1-CB 3.23Å; Q1245-V1360 VanDerWaalsContact O-CG2 3.23Å; Q1245-V1360 WeakPolarHBondContact O-CG2 3.42Å |
| 1246 | L | 87 | Confident | 91.5 | Very high | 61 Ų | 61 | 15.9 Ų | 15.9 | 32% | 0.319 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -22 | 171.2 | -61.4 | 170.5 | 0 | 0 | 0 | 113.2 | N1244 R1323 V1360 | N1244-L1246 PolarHBondContact O-N 3.47Å; N1244-L1246 WeakPolarHBondContact OD1-CB 3Å; N1244-L1246 WeakPolarHBondContact OD1-CG 3.46Å; N1244-L1246 PolarHBondContact OD1-N 2.96Å; L1246-R1323 VanDerWaalsContact O-CD 3.31Å; L1246-R1323 WeakPolarHBondContact O-CD 3.41Å; L1246-R1323 WeakPolarHBondContact O-CG 3.41Å; L1246-R1323 PolarHBondContact O-NH1 2.86Å; L1246-V1360 HydrophobicContact CD2-CG1 4.48Å; L1246-V1360 HydrophobicContact CD2-CG2 4.24Å |
| 1247 | D | 88.3 | Confident | 91.4 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.011 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -8.9 | 179.6 | -55.1 | -59.5 | 0 | 0 | 0 | 113 | R1214 V1243 N1244 A1320 | R1214-D1247 VanDerWaalsContact CG-OD2 3.27Å; R1214-D1247 WeakPolarHBondContact CG-OD2 3.31Å; R1214-D1247 IonicContact CZ-OD1 3.96Å; R1214-D1247 VanDerWaalsContact CZ-OD1 3.31Å; R1214-D1247 IonicContact CZ-OD2 3.46Å; R1214-D1247 VanDerWaalsContact NE-CG 3.32Å; R1214-D1247 IonicContact NE-OD1 3.78Å; R1214-D1247 PolarHBondContact NE-OD1 2.73Å; R1214-D1247 VanDerWaalsContact NE-OD1 3.13Å; R1214-D1247 IonicContact NE-OD2 3.58Å; R1214-D1247 PolarHBondContact NE-OD2 3.12Å; R1214-D1247 IonicContact NH2-OD1 3.38Å; R1214-D1247 PolarHBondContact NH2-OD1 2.76Å; R1214-D1247 IonicContact NH2-OD2 2.73Å; V1243-D1247 HydrophobicContact CB-CB 4.34Å; N1244-D1247 PolarHBondContact N-OD2 2.86Å; N1244-D1247 PolarHBondContact O-N 3.3Å; D1247-A1320 HydrophobicContact CB-CB 3.93Å |
| 1248 | M | 90.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.015 | 11% | 0.11 | C | C | . | . | trans | -96.3 | 160.2 | -172.4 | -63.4 | 166 | -178.5 | 0 | 0 | 113.6 | V1243 Q1245 E1287 T1309 V1310 Y1311 P1357 | V1243-M1248 HydrophobicContact CB-CE 4.47Å; V1243-M1248 HydrophobicContact CG2-CE 3.63Å; Q1245-M1248 HydrophobicContact CB-SD 4.49Å; Q1245-M1248 HydrophobicContact CG-SD 4.14Å; M1248-E1287 HydrophobicContact CE-CB 4.03Å; M1248-E1287 HydrophobicContact CE-CG 3.59Å; M1248-E1287 HydrophobicContact SD-CB 4.33Å; M1248-E1287 HydrophobicContact SD-CG 4.15Å; M1248-T1309 HydrophobicContact CB-CG2 4.02Å; M1248-T1309 HydrophobicContact CG-CG2 4.32Å; M1248-T1309 HydrophobicContact SD-CG2 3.97Å; M1248-V1310 CarbonylContact C-O 3.52Å; M1248-V1310 WeakPolarHBondContact CA-O 3.41Å; M1248-Y1311 HydrophobicContact CE-CD1 4.14Å; M1248-Y1311 HydrophobicContact CE-CE1 4.26Å; M1248-Y1311 HydrophobicContact CG-CD1 4.05Å; M1248-Y1311 HydrophobicContact CG-CG 4.44Å; M1248-P1357 HydrophobicContact CB-CG 4.01Å; M1248-P1357 WeakPolarHBondContact O-CD 3.23Å | ||
| 1249 | Q | 91.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 154.3 | 166.8 | -72 | -66.2 | -3.9 | 0 | 0 | 110.3 | T1309 V1310 R1323 L1326 F1327 I1354 R1355 | Q1249-T1309 WeakPolarHBondContact O-CA 3.46Å; Q1249-V1310 PolarHBondContact N-O 2.74Å; Q1249-V1310 PolarHBondContact O-N 2.92Å; Q1249-R1323 HydrophobicContact CG-CB 4.23Å; Q1249-R1323 PolarHBondContact NE2-O 2.8Å; Q1249-L1326 HydrophobicContact CG-CD2 4.43Å; Q1249-F1327 HydrophobicContact CG-CB 4.46Å; Q1249-I1354 HydrophobicContact CB-CG2 4.14Å; Q1249-R1355 PolarHBondContact OE1-O 3.41Å; Q1249-R1355 VanDerWaalsContact OE1-O 3.12Å |
| 1250 | V | 92 | Very high | 91.1 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.03 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115.7 | 176.4 | -173.5 | 0 | 0 | 0 | 0 | 109 | V1252 D1307 T1309 I1354 R1355 P1357 | V1250-V1252 HydrophobicContact CG1-CG2 4.42Å; V1250-D1307 HydrophobicContact CG1-CB 3.58Å; V1250-T1309 HydrophobicContact CG2-CG2 4.46Å; V1250-I1354 CarbonylContact O-C 3.49Å; V1250-I1354 WeakPolarHBondContact O-CA 3.46Å; V1250-R1355 WeakPolarHBondContact CA-O 3.35Å; V1250-R1355 HydrophobicContact CB-CG 3.87Å; V1250-R1355 WeakPolarHBondContact CB-O 3.16Å; V1250-R1355 HydrophobicContact CG1-CG 4.37Å; V1250-R1355 PolarHBondContact N-O 2.88Å; V1250-R1355 PolarHBondContact O-N 2.69Å; V1250-P1357 HydrophobicContact CG2-CB 4.32Å; V1250-P1357 HydrophobicContact CG2-CG 4.03Å |
| 1251 | I | 93.7 | Very high | 91 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 119.6 | 171.1 | -59.4 | 175.2 | 0 | 0 | 0 | 107.3 | L1271 L1308 V1310 L1330 I1351 I1354 | I1251-L1271 HydrophobicContact CD1-CD1 3.86Å; I1251-L1271 HydrophobicContact CD1-CD2 3.99Å; I1251-L1308 HydrophobicContact CB-CB 4.28Å; I1251-L1308 HydrophobicContact CD1-CD2 4.46Å; I1251-L1308 PolarHBondContact N-O 2.73Å; I1251-L1308 PolarHBondContact O-N 3.34Å; I1251-V1310 HydrophobicContact CD1-CG1 4.16Å; I1251-V1310 HydrophobicContact CD1-CG2 3.85Å; I1251-V1310 HydrophobicContact CG1-CG2 4.04Å; I1251-L1330 HydrophobicContact CD1-CD1 4.11Å; I1251-I1351 HydrophobicContact CG2-CB 4.31Å; I1251-I1351 HydrophobicContact CG2-CD1 3.72Å; I1251-I1351 HydrophobicContact CG2-CG1 3.71Å; I1251-I1351 HydrophobicContact CG2-CG2 3.65Å; I1251-I1354 HydrophobicContact CG1-CG1 4.48Å |
| 1252 | V | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118.4 | -177.3 | -174 | 0 | 0 | 0 | 0 | 109.3 | V1250 R1292 C1306 D1307 I1351 L1352 E1353 R1355 | V1250-V1252 HydrophobicContact CG1-CG2 4.42Å; V1252-R1292 HydrophobicContact CG1-CG 3.92Å; V1252-C1306 CarbonylContact C-O 3.54Å; V1252-C1306 WeakPolarHBondContact CA-O 3.2Å; V1252-D1307 WeakPolarHBondContact CG2-OD1 3.4Å; V1252-I1351 CarbonylContact O-C 3.59Å; V1252-L1352 PolarHBondContact O-N 2.93Å; V1252-E1353 HydrophobicContact CB-CG 3.59Å; V1252-E1353 WeakPolarHBondContact CB-O 3.37Å; V1252-E1353 HydrophobicContact CG1-CG 4.12Å; V1252-E1353 HydrophobicContact CG2-CG 3.57Å; V1252-E1353 PolarHBondContact N-O 2.78Å; V1252-R1355 HydrophobicContact CG2-CG 3.83Å |
| 1253 | S | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 148 | -175.3 | -64 | 0 | 0 | 0 | 0 | 112.5 | V1255 K1305 C1306 Y1345 | S1253-V1255 PolarHBondContact O-N 3.29Å; S1253-K1305 WeakPolarHBondContact O-CA 3.42Å; S1253-K1305 VanDerWaalsContact O-CB 3.32Å; S1253-K1305 WeakPolarHBondContact O-CB 3.42Å; S1253-C1306 PolarHBondContact N-O 3.25Å; S1253-C1306 PolarHBondContact O-N 2.89Å; S1253-Y1345 WeakPolarHBondContact CB-OH 3.29Å; S1253-Y1345 WeakPolarHBondContact OG-CE2 3.32Å; S1253-Y1345 PolarHBondContact OG-OH 2.8Å |
| 1254 | N | 93.9 | Very high | 90.9 | Very high | 49 Ų | 49 | 42.2 Ų | 42.2 | 26% | 0.262 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -82.1 | 18.8 | -179.5 | 74.9 | -21.8 | 0 | 0 | 0 | 114.8 | G1348 G1349 R1350 L1352 | N1254-G1348 PolarHBondContact ND2-O 2.96Å; N1254-G1349 VanDerWaalsContact OD1-CA 3.29Å; N1254-G1349 WeakPolarHBondContact OD1-CA 3.1Å; N1254-R1350 PolarHBondContact N-O 2.7Å; N1254-R1350 PolarHBondContact OD1-N 2.81Å; N1254-R1350 PolarHBondContact OD1-O 3.33Å; N1254-L1352 HydrophobicContact CB-CD1 3.95Å; N1254-L1352 HydrophobicContact CB-CD2 4.04Å; N1254-L1352 HydrophobicContact CB-CG 3.99Å |
| 1255 | V | 93 | Very high | 90.7 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -115.6 | 152 | -179.3 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | S1253 L1259 V1260 S1304 K1305 C1306 Y1345 | S1253-V1255 PolarHBondContact O-N 3.29Å; V1255-L1259 HydrophobicContact CB-CD2 4.04Å; V1255-L1259 HydrophobicContact CG1-CD2 4.12Å; V1255-V1260 HydrophobicContact CG2-CG2 3.69Å; V1255-S1304 CarbonylContact C-O 3.55Å; V1255-K1305 CarbonylContact O-C 3.56Å; V1255-K1305 VanDerWaalsContact O-CA 3.25Å; V1255-K1305 WeakPolarHBondContact O-CA 3.36Å; V1255-C1306 WeakPolarHBondContact O-CB 3.47Å; V1255-C1306 PolarHBondContact O-N 2.63Å; V1255-Y1345 HydrophobicContact CG1-CD2 4.2Å; V1255-Y1345 HydrophobicContact CG1-CG 4.08Å; V1255-Y1345 HydrophobicContact CG2-CD1 3.96Å; V1255-Y1345 HydrophobicContact CG2-CD2 4.04Å; V1255-Y1345 HydrophobicContact CG2-CE1 3.86Å; V1255-Y1345 HydrophobicContact CG2-CE2 3.94Å; V1255-Y1345 HydrophobicContact CG2-CG 4.04Å |
| 1256 | P | 92.7 | Very high | 91 | Very high | 54 Ų | 54 | 47.4 Ų | 47.4 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | trans | -62.6 | 150.6 | 179.4 | -23.8 | 34.9 | 0 | 0 | 0 | 113.3 | T1258 L1259 | P1256-T1258 PolarHBondContact O-N 3.24Å; P1256-L1259 PolarHBondContact O-N 2.73Å; P1256-L1259 VanDerWaalsContact O-N 3.1Å | ||
| 1257 | P | 92.3 | Very high | 91.2 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.3 | -36.2 | -179.8 | -26 | 35.5 | 0 | 0 | 0 | 113.8 | L1259 V1260 E1261 I1289 G1290 A1291 Y1303 C1306 | P1257-L1259 VanDerWaalsContact C-N 3.27Å; P1257-L1259 PolarHBondContact O-N 2.75Å; P1257-V1260 PolarHBondContact O-N 3.16Å; P1257-V1260 VanDerWaalsContact O-N 3.11Å; P1257-E1261 WeakPolarHBondContact O-CB 3.24Å; P1257-E1261 PolarHBondContact O-N 2.75Å; P1257-I1289 HydrophobicContact CB-CG2 4.22Å; P1257-G1290 WeakPolarHBondContact CG-O 3.45Å; P1257-A1291 HydrophobicContact CG-CB 4.32Å; P1257-Y1303 WeakPolarHBondContact CD-O 3.49Å; P1257-C1306 HydrophobicContact CG-CB 4.34Å |
| 1258 | T | 90 | Very high | 91.3 | Very high | 99 Ų | 99 | 45.2 Ų | 45.2 | 61% | 0.607 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -64.2 | -26 | -179.7 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | P1256 K1262 | P1256-T1258 PolarHBondContact O-N 3.24Å; T1258-K1262 WeakPolarHBondContact O-CB 3.43Å; T1258-K1262 PolarHBondContact O-N 2.81Å |
| 1259 | L | 91.2 | Very high | 91.2 | Very high | 60 Ų | 60 | 51 Ų | 51 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -75.7 | -41.2 | 173.3 | -175.3 | 64.2 | 0 | 0 | 0 | 110.9 | V1255 P1256 P1257 K1263 | V1255-L1259 HydrophobicContact CB-CD2 4.04Å; V1255-L1259 HydrophobicContact CG1-CD2 4.12Å; P1256-L1259 PolarHBondContact O-N 2.73Å; P1256-L1259 VanDerWaalsContact O-N 3.1Å; P1257-L1259 VanDerWaalsContact C-N 3.27Å; P1257-L1259 PolarHBondContact O-N 2.75Å; L1259-K1263 PolarHBondContact O-N 2.66Å |
| 1260 | V | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 178.5 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | V1255 P1257 K1263 I1264 L1267 I1289 C1306 L1308 Y1345 | V1255-V1260 HydrophobicContact CG2-CG2 3.69Å; P1257-V1260 PolarHBondContact O-N 3.16Å; P1257-V1260 VanDerWaalsContact O-N 3.11Å; V1260-K1263 CarbonylContact O-C 3.12Å; V1260-K1263 PolarHBondContact O-N 3.37Å; V1260-I1264 HydrophobicContact CG1-CD1 4.1Å; V1260-I1264 WeakPolarHBondContact O-CA 3.36Å; V1260-I1264 WeakPolarHBondContact O-CB 3.35Å; V1260-I1264 PolarHBondContact O-N 2.74Å; V1260-L1267 HydrophobicContact CG1-CD1 4.13Å; V1260-I1289 HydrophobicContact CB-CG2 4.11Å; V1260-I1289 HydrophobicContact CG1-CD1 4.46Å; V1260-I1289 HydrophobicContact CG1-CG2 4.07Å; V1260-C1306 HydrophobicContact CG2-CB 3.88Å; V1260-L1308 HydrophobicContact CG1-CD1 4.18Å; V1260-L1308 HydrophobicContact CG1-CD2 4.1Å; V1260-Y1345 HydrophobicContact CG2-CE1 4.07Å |
| 1261 | E | 89.6 | Confident | 91.3 | Very high | 126 Ų | 126 | 51.1 Ų | 51.1 | 59% | 0.589 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.7 | -48.6 | 175.6 | -175.8 | 175.5 | -151.5 | 0 | 0 | 112 | P1257 K1263 I1264 I1289 | P1257-E1261 WeakPolarHBondContact O-CB 3.24Å; P1257-E1261 PolarHBondContact O-N 2.75Å; E1261-K1263 PolarHBondContact O-N 3.26Å; E1261-K1263 VanDerWaalsContact O-N 3.14Å; E1261-I1264 PolarHBondContact O-N 2.91Å; E1261-I1289 HydrophobicContact CB-CD1 3.96Å; E1261-I1289 HydrophobicContact CG-CD1 4.38Å |
| 1262 | K | 89.1 | Confident | 91.1 | Very high | 176 Ų | 176 | 51.7 Ų | 51.7 | 77% | 0.765 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.8 | -20 | 177.2 | -175.7 | 170.5 | -179.4 | 178.3 | 0 | 113.8 | T1258 | T1258-K1262 WeakPolarHBondContact O-CB 3.43Å; T1258-K1262 PolarHBondContact O-N 2.81Å |
| 1263 | K | 90.5 | Very high | 91.1 | Very high | 75 Ų | 75 | 57.1 Ų | 57.1 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 19.3 | -177 | -73.9 | -52.6 | -146.2 | 163.3 | 0 | 114.3 | L1259 V1260 E1261 E1265 D1266 L1267 Y1344 | L1259-K1263 PolarHBondContact O-N 2.66Å; V1260-K1263 CarbonylContact O-C 3.12Å; V1260-K1263 PolarHBondContact O-N 3.37Å; E1261-K1263 PolarHBondContact O-N 3.26Å; E1261-K1263 VanDerWaalsContact O-N 3.14Å; K1263-E1265 PolarHBondContact O-N 3.13Å; K1263-D1266 VanDerWaalsContact CD-OD2 3.28Å; K1263-D1266 WeakPolarHBondContact CD-OD2 3.21Å; K1263-D1266 WeakPolarHBondContact CE-OD2 3.46Å; K1263-D1266 IonicContact NZ-OD2 2.7Å; K1263-D1266 PolarHBondContact NZ-OD2 3.43Å; K1263-D1266 PolarHBondContact O-N 2.92Å; K1263-L1267 HydrophobicContact CB-CD1 4.01Å; K1263-L1267 HydrophobicContact CB-CG 4.32Å; K1263-L1267 WeakPolarHBondContact O-CB 3.49Å; K1263-L1267 WeakPolarHBondContact O-CD1 3.44Å; K1263-L1267 VanDerWaalsContact O-CG 3.23Å; K1263-L1267 WeakPolarHBondContact O-CG 3.41Å; K1263-L1267 PolarHBondContact O-N 2.85Å; K1263-L1267 VanDerWaalsContact O-N 3.11Å; K1263-Y1344 HydrophobicContact CD-CD1 4.16Å; K1263-Y1344 HydrophobicContact CG-CD1 4.36Å |
| 1264 | I | 90.7 | Very high | 91 | Very high | 39 Ų | 39 | 57.9 Ų | 57.9 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.5 | -33.6 | -167.3 | -162.1 | 61.1 | 0 | 0 | 0 | 114.2 | V1260 E1261 T1268 V1286 I1289 L1308 | V1260-I1264 HydrophobicContact CG1-CD1 4.1Å; V1260-I1264 WeakPolarHBondContact O-CA 3.36Å; V1260-I1264 WeakPolarHBondContact O-CB 3.35Å; V1260-I1264 PolarHBondContact O-N 2.74Å; E1261-I1264 PolarHBondContact O-N 2.91Å; I1264-T1268 VanDerWaalsContact O-CB 3.26Å; I1264-T1268 WeakPolarHBondContact O-CB 3.43Å; I1264-T1268 PolarHBondContact O-N 2.92Å; I1264-T1268 PolarHBondContact O-OG1 2.94Å; I1264-V1286 HydrophobicContact CD1-CB 4.49Å; I1264-V1286 HydrophobicContact CD1-CG1 4.15Å; I1264-V1286 HydrophobicContact CD1-CG2 3.81Å; I1264-V1286 HydrophobicContact CG1-CB 4.44Å; I1264-V1286 HydrophobicContact CG1-CG1 4.34Å; I1264-V1286 HydrophobicContact CG1-CG2 4Å; I1264-I1289 HydrophobicContact CB-CD1 4.22Å; I1264-I1289 HydrophobicContact CD1-CD1 3.71Å; I1264-I1289 HydrophobicContact CD1-CG1 4.35Å; I1264-I1289 HydrophobicContact CG1-CD1 3.87Å; I1264-L1308 HydrophobicContact CD1-CD1 3.81Å |
| 1265 | E | 85.9 | Confident | 90.9 | Very high | 164 Ų | 164 | 55.5 Ų | 55.5 | 77% | 0.766 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.6 | -53.4 | 178.9 | -61.7 | -170.9 | 165.4 | 0 | 0 | 111 | K1263 L1267 T1268 E1269 | K1263-E1265 PolarHBondContact O-N 3.13Å; E1265-L1267 VanDerWaalsContact C-N 3.34Å; E1265-L1267 PolarHBondContact O-N 2.83Å; E1265-T1268 PolarHBondContact O-N 3.43Å; E1265-T1268 VanDerWaalsContact O-N 3.12Å; E1265-E1269 PolarHBondContact O-N 2.8Å |
| 1266 | D | 90.1 | Very high | 90.8 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.1 | -48 | 175.8 | -58.6 | -32.6 | 0 | 0 | 0 | 112 | K1263 T1268 E1269 I1270 Y1344 | K1263-D1266 VanDerWaalsContact CD-OD2 3.28Å; K1263-D1266 WeakPolarHBondContact CD-OD2 3.21Å; K1263-D1266 WeakPolarHBondContact CE-OD2 3.46Å; K1263-D1266 IonicContact NZ-OD2 2.7Å; K1263-D1266 PolarHBondContact NZ-OD2 3.43Å; K1263-D1266 PolarHBondContact O-N 2.92Å; D1266-T1268 VanDerWaalsContact C-N 3.31Å; D1266-T1268 PolarHBondContact O-N 2.82Å; D1266-E1269 PolarHBondContact O-N 3.38Å; D1266-I1270 WeakPolarHBondContact O-CG1 3.25Å; D1266-I1270 PolarHBondContact O-N 2.7Å; D1266-I1270 VanDerWaalsContact O-N 3.16Å; D1266-Y1344 HydrophobicContact CB-CD1 3.74Å; D1266-Y1344 HydrophobicContact CB-CE1 3.37Å; D1266-Y1344 VanDerWaalsContact CG-CE1 3.46Å; D1266-Y1344 WeakPolarHBondContact OD2-CD1 3.4Å; D1266-Y1344 WeakPolarHBondContact OD2-CE1 3.05Å |
| 1267 | L | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.6 | -35.1 | -179.6 | -67.4 | 168.8 | 0 | 0 | 0 | 111.8 | V1260 K1263 E1265 L1271 F1341 Y1344 Y1345 | V1260-L1267 HydrophobicContact CG1-CD1 4.13Å; K1263-L1267 HydrophobicContact CB-CD1 4.01Å; K1263-L1267 HydrophobicContact CB-CG 4.32Å; K1263-L1267 WeakPolarHBondContact O-CB 3.49Å; K1263-L1267 WeakPolarHBondContact O-CD1 3.44Å; K1263-L1267 VanDerWaalsContact O-CG 3.23Å; K1263-L1267 WeakPolarHBondContact O-CG 3.41Å; K1263-L1267 PolarHBondContact O-N 2.85Å; K1263-L1267 VanDerWaalsContact O-N 3.11Å; E1265-L1267 VanDerWaalsContact C-N 3.34Å; E1265-L1267 PolarHBondContact O-N 2.83Å; L1267-L1271 WeakPolarHBondContact O-CG 3.47Å; L1267-L1271 PolarHBondContact O-N 2.94Å; L1267-L1271 VanDerWaalsContact O-N 3.1Å; L1267-F1341 HydrophobicContact CB-CE1 4.47Å; L1267-F1341 HydrophobicContact CB-CZ 4.27Å; L1267-F1341 HydrophobicContact CD2-CB 4.47Å; L1267-F1341 HydrophobicContact CD2-CD1 3.75Å; L1267-F1341 HydrophobicContact CD2-CD2 3.85Å; L1267-F1341 HydrophobicContact CD2-CE1 3.79Å; L1267-F1341 HydrophobicContact CD2-CE2 3.89Å; L1267-F1341 HydrophobicContact CD2-CG 3.77Å; L1267-F1341 HydrophobicContact CD2-CZ 3.85Å; L1267-Y1344 HydrophobicContact CD2-CG 4.32Å; L1267-Y1345 HydrophobicContact CD1-CD1 4.47Å; L1267-Y1345 HydrophobicContact CD1-CE1 3.76Å; L1267-Y1345 HydrophobicContact CD2-CD1 4.21Å; L1267-Y1345 HydrophobicContact CD2-CE1 3.87Å |
| 1268 | T | 90.5 | Very high | 90.6 | Very high | 18 Ų | 18 | 64.5 Ų | 64.5 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.4 | -35 | 177.3 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | I1264 E1265 D1266 I1270 L1271 D1272 V1284 V1286 | I1264-T1268 VanDerWaalsContact O-CB 3.26Å; I1264-T1268 WeakPolarHBondContact O-CB 3.43Å; I1264-T1268 PolarHBondContact O-N 2.92Å; I1264-T1268 PolarHBondContact O-OG1 2.94Å; E1265-T1268 PolarHBondContact O-N 3.43Å; E1265-T1268 VanDerWaalsContact O-N 3.12Å; D1266-T1268 VanDerWaalsContact C-N 3.31Å; D1266-T1268 PolarHBondContact O-N 2.82Å; T1268-I1270 VanDerWaalsContact C-N 3.35Å; T1268-L1271 PolarHBondContact O-N 2.71Å; T1268-D1272 WeakPolarHBondContact O-CB 2.83Å; T1268-D1272 PolarHBondContact O-N 3.2Å; T1268-V1284 HydrophobicContact CG2-CB 4.41Å; T1268-V1284 WeakPolarHBondContact CG2-O 3.47Å; T1268-V1286 WeakPolarHBondContact OG1-CG2 3.36Å |
| 1269 | E | 88.9 | Confident | 90.5 | Very high | 125 Ų | 125 | 61.2 Ų | 61.2 | 58% | 0.584 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.1 | -33.6 | 174.7 | -177.1 | 162.4 | -137.2 | 0 | 0 | 112.4 | E1265 D1266 D1272 R1273 | E1265-E1269 PolarHBondContact O-N 2.8Å; D1266-E1269 PolarHBondContact O-N 3.38Å; E1269-D1272 WeakPolarHBondContact O-CB 3.44Å; E1269-R1273 PolarHBondContact O-N 3.22Å |
| 1270 | I | 91.9 | Very high | 90.3 | Very high | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 171 | -64.4 | 161.6 | 0 | 0 | 0 | 110.5 | D1266 T1268 R1273 Y1274 D1340 F1341 Y1344 | D1266-I1270 WeakPolarHBondContact O-CG1 3.25Å; D1266-I1270 PolarHBondContact O-N 2.7Å; D1266-I1270 VanDerWaalsContact O-N 3.16Å; T1268-I1270 VanDerWaalsContact C-N 3.35Å; I1270-R1273 WeakPolarHBondContact O-CB 3.42Å; I1270-R1273 PolarHBondContact O-N 2.9Å; I1270-Y1274 HydrophobicContact CG2-CD2 3.95Å; I1270-Y1274 HydrophobicContact CG2-CE2 3.79Å; I1270-Y1274 VanDerWaalsContact O-CD2 3.25Å; I1270-Y1274 WeakPolarHBondContact O-CD2 3.44Å; I1270-Y1274 PolarHBondContact O-N 3.11Å; I1270-D1340 HydrophobicContact CD1-CB 4.27Å; I1270-D1340 WeakPolarHBondContact CD1-O 2.8Å; I1270-D1340 HydrophobicContact CG1-CB 4.47Å; I1270-D1340 HydrophobicContact CG2-CB 3.68Å; I1270-F1341 HydrophobicContact CB-CD1 4.34Å; I1270-F1341 HydrophobicContact CB-CE1 3.95Å; I1270-F1341 HydrophobicContact CD1-CD1 4.08Å; I1270-F1341 HydrophobicContact CD1-CE1 4.36Å; I1270-F1341 HydrophobicContact CG2-CD1 3.87Å; I1270-F1341 HydrophobicContact CG2-CE1 3.71Å; I1270-Y1344 HydrophobicContact CD1-CD2 3.96Å; I1270-Y1344 HydrophobicContact CD1-CE2 3.6Å |
| 1271 | L | 93 | Very high | 89.9 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 177 | -67.2 | 170.8 | 0 | 0 | 0 | 112.2 | I1251 L1267 T1268 R1273 Y1274 V1275 V1284 V1310 L1330 I1337 F1341 | I1251-L1271 HydrophobicContact CD1-CD1 3.86Å; I1251-L1271 HydrophobicContact CD1-CD2 3.99Å; L1267-L1271 WeakPolarHBondContact O-CG 3.47Å; L1267-L1271 PolarHBondContact O-N 2.94Å; L1267-L1271 VanDerWaalsContact O-N 3.1Å; T1268-L1271 PolarHBondContact O-N 2.71Å; L1271-R1273 PolarHBondContact O-N 3.3Å; L1271-Y1274 PolarHBondContact O-N 3.03Å; L1271-V1275 WeakPolarHBondContact O-CG2 3.44Å; L1271-V1275 PolarHBondContact O-N 3.08Å; L1271-V1284 HydrophobicContact CB-CB 4.23Å; L1271-V1284 HydrophobicContact CB-CG1 4.01Å; L1271-V1284 HydrophobicContact CB-CG2 4.06Å; L1271-V1284 HydrophobicContact CD1-CG1 4.36Å; L1271-V1310 HydrophobicContact CD1-CG1 4.44Å; L1271-L1330 HydrophobicContact CD2-CD2 3.75Å; L1271-I1337 HydrophobicContact CD2-CG2 4.25Å; L1271-F1341 HydrophobicContact CD1-CZ 4.13Å; L1271-F1341 HydrophobicContact CD2-CE1 4.35Å; L1271-F1341 HydrophobicContact CD2-CZ 3.93Å; L1271-F1341 HydrophobicContact CG-CE1 4.22Å; L1271-F1341 HydrophobicContact CG-CZ 3.85Å |
| 1272 | D | 90.4 | Very high | 89.9 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.8 | -53.1 | 170.1 | -84 | -14.5 | 0 | 0 | 0 | 110.1 | T1268 E1269 Y1274 V1275 Q1276 K1283 V1284 | T1268-D1272 WeakPolarHBondContact O-CB 2.83Å; T1268-D1272 PolarHBondContact O-N 3.2Å; E1269-D1272 WeakPolarHBondContact O-CB 3.44Å; D1272-Y1274 PolarHBondContact O-N 3.34Å; D1272-V1275 PolarHBondContact O-N 3.31Å; D1272-Q1276 VanDerWaalsContact O-CB 3.28Å; D1272-Q1276 WeakPolarHBondContact O-CB 3.42Å; D1272-Q1276 WeakPolarHBondContact O-CG 3.38Å; D1272-Q1276 PolarHBondContact O-N 2.92Å; D1272-K1283 IonicContact OD1-NZ 3.17Å; D1272-K1283 PolarHBondContact OD1-NZ 2.86Å; D1272-K1283 WeakPolarHBondContact OD2-CE 3.29Å; D1272-K1283 IonicContact OD2-NZ 3.57Å; D1272-K1283 PolarHBondContact OD2-NZ 3.18Å; D1272-V1284 PolarHBondContact OD1-N 3.48Å |
| 1273 | R | 91.8 | Very high | 89.9 | Confident | 113 Ų | 113 | 52.3 Ų | 52.3 | 43% | 0.426 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54.3 | -50 | -179 | 179.6 | 169.7 | 65.7 | -126.9 | 8.7 | 111.9 | E1269 I1270 L1271 V1275 Q1276 E1277 D1340 | E1269-R1273 PolarHBondContact O-N 3.22Å; I1270-R1273 WeakPolarHBondContact O-CB 3.42Å; I1270-R1273 PolarHBondContact O-N 2.9Å; L1271-R1273 PolarHBondContact O-N 3.3Å; R1273-V1275 PolarHBondContact O-N 2.84Å; R1273-Q1276 PolarHBondContact O-N 3.04Å; R1273-E1277 PolarHBondContact O-N 3.12Å; R1273-D1340 IonicContact CZ-OD2 3.36Å; R1273-D1340 VanDerWaalsContact NH2-CG 3.34Å; R1273-D1340 IonicContact NH2-OD2 3.11Å; R1273-D1340 PolarHBondContact NH2-OD2 3.29Å |
| 1274 | Y | 92.5 | Very high | 90 | Very high | 16 Ų | 16 | 48.8 Ų | 48.8 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.2 | -31.3 | -179.2 | -76.7 | -72 | 0 | 0 | 0 | 114.1 | I1270 L1271 D1272 K1333 D1336 I1337 D1340 | I1270-Y1274 HydrophobicContact CG2-CD2 3.95Å; I1270-Y1274 HydrophobicContact CG2-CE2 3.79Å; I1270-Y1274 VanDerWaalsContact O-CD2 3.25Å; I1270-Y1274 WeakPolarHBondContact O-CD2 3.44Å; I1270-Y1274 PolarHBondContact O-N 3.11Å; L1271-Y1274 PolarHBondContact O-N 3.03Å; D1272-Y1274 PolarHBondContact O-N 3.34Å; Y1274-K1333 HydrophobicContact CD1-CB 3.78Å; Y1274-K1333 HydrophobicContact CD1-CD 4.43Å; Y1274-K1333 HydrophobicContact CD1-CG 3.88Å; Y1274-K1333 HydrophobicContact CE1-CB 4.19Å; Y1274-K1333 HydrophobicContact CE1-CD 4.46Å; Y1274-K1333 HydrophobicContact CE1-CG 4.35Å; Y1274-K1333 HydrophobicContact CG-CB 4.49Å; Y1274-D1336 HydrophobicContact CE1-CB 3.88Å; Y1274-D1336 WeakPolarHBondContact OH-CB 3.27Å; Y1274-D1336 PolarHBondContact OH-O 3.34Å; Y1274-I1337 HydrophobicContact CD1-CG1 4.16Å; Y1274-I1337 HydrophobicContact CD2-CB 4.42Å; Y1274-I1337 HydrophobicContact CD2-CD1 4.38Å; Y1274-I1337 HydrophobicContact CD2-CG1 3.4Å; Y1274-I1337 VanDerWaalsContact CD2-CG1 3.4Å; Y1274-I1337 HydrophobicContact CE1-CG1 4.4Å; Y1274-I1337 HydrophobicContact CE2-CB 4.35Å; Y1274-I1337 HydrophobicContact CE2-CG1 3.7Å; Y1274-I1337 HydrophobicContact CG-CD1 4.27Å; Y1274-I1337 HydrophobicContact CG-CG1 3.67Å; Y1274-D1340 HydrophobicContact CE2-CB 4.45Å; Y1274-D1340 WeakPolarHBondContact CE2-OD2 3.25Å; Y1274-D1340 VanDerWaalsContact CZ-OD2 3.27Å; Y1274-D1340 PolarHBondContact OH-OD2 3.4Å |
| 1275 | V | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -79.4 | -31.5 | 174.4 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | L1271 D1272 R1273 Q1278 I1279 A1282 V1284 A1312 I1321 L1326 F1329 L1330 | L1271-V1275 WeakPolarHBondContact O-CG2 3.44Å; L1271-V1275 PolarHBondContact O-N 3.08Å; D1272-V1275 PolarHBondContact O-N 3.31Å; R1273-V1275 PolarHBondContact O-N 2.84Å; V1275-Q1278 PolarHBondContact O-N 2.63Å; V1275-I1279 PolarHBondContact O-N 2.69Å; V1275-A1282 HydrophobicContact CG1-CB 3.84Å; V1275-V1284 HydrophobicContact CB-CG2 3.98Å; V1275-V1284 HydrophobicContact CG2-CG2 3.67Å; V1275-A1312 HydrophobicContact CG1-CB 4.05Å; V1275-I1321 HydrophobicContact CG1-CD1 4.21Å; V1275-L1326 HydrophobicContact CG2-CD1 3.87Å; V1275-F1329 HydrophobicContact CG1-CD2 4.3Å; V1275-L1330 HydrophobicContact CG2-CD2 3.94Å |
| 1276 | Q | 90.3 | Very high | 90.1 | Very high | 78 Ų | 78 | 42 Ų | 42 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -70.3 | -28.5 | 175.9 | -74.4 | 176.6 | 23.1 | 0 | 0 | 113.6 | D1272 R1273 Q1278 I1279 A1282 | D1272-Q1276 VanDerWaalsContact O-CB 3.28Å; D1272-Q1276 WeakPolarHBondContact O-CB 3.42Å; D1272-Q1276 WeakPolarHBondContact O-CG 3.38Å; D1272-Q1276 PolarHBondContact O-N 2.92Å; R1273-Q1276 PolarHBondContact O-N 3.04Å; Q1276-Q1278 PolarHBondContact O-N 2.99Å; Q1276-I1279 WeakPolarHBondContact CA-O 3.22Å; Q1276-I1279 CarbonylContact O-C 3.59Å; Q1276-A1282 WeakPolarHBondContact CG-O 3.14Å; Q1276-A1282 PolarHBondContact NE2-O 2.59Å |
| 1277 | E | 90 | Very high | 90 | Very high | 101 Ų | 101 | 42.6 Ų | 42.6 | 47% | 0.472 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.5 | 166.6 | -75.6 | -176.6 | -166.6 | 0 | 0 | 112.9 | R1273 K1333 | R1273-E1277 PolarHBondContact O-N 3.12Å; E1277-K1333 IonicContact OE1-NZ 3.14Å; E1277-K1333 WeakPolarHBondContact OE2-CE 3.34Å; E1277-K1333 IonicContact OE2-NZ 2.71Å; E1277-K1333 PolarHBondContact OE2-NZ 3.14Å |
| 1278 | Q | 90.7 | Very high | 89.8 | Confident | 90 Ų | 90 | 45.4 Ų | 45.4 | 42% | 0.421 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -39.9 | -177.2 | -52.6 | -59.2 | -62.2 | 0 | 0 | 112.2 | V1275 Q1276 F1329 | V1275-Q1278 PolarHBondContact O-N 2.63Å; Q1276-Q1278 PolarHBondContact O-N 2.99Å; Q1278-F1329 HydrophobicContact CB-CD1 3.68Å; Q1278-F1329 HydrophobicContact CB-CD2 4.08Å; Q1278-F1329 HydrophobicContact CB-CE1 3.74Å; Q1278-F1329 HydrophobicContact CB-CE2 4.14Å; Q1278-F1329 HydrophobicContact CB-CG 3.87Å; Q1278-F1329 HydrophobicContact CB-CZ 3.97Å; Q1278-F1329 HydrophobicContact CG-CB 4Å; Q1278-F1329 HydrophobicContact CG-CD1 3.59Å; Q1278-F1329 HydrophobicContact CG-CD2 4.42Å; Q1278-F1329 HydrophobicContact CG-CE1 4.14Å; Q1278-F1329 HydrophobicContact CG-CG 3.75Å |
| 1279 | I | 88.3 | Confident | 89.9 | Confident | 31 Ų | 31 | 47 Ų | 47 | 16% | 0.159 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -133 | 101.3 | 177.7 | -61 | -178 | 0 | 0 | 0 | 108.8 | V1275 Q1276 G1281 A1282 D1314 I1321 F1329 | V1275-I1279 PolarHBondContact O-N 2.69Å; Q1276-I1279 WeakPolarHBondContact CA-O 3.22Å; Q1276-I1279 CarbonylContact O-C 3.59Å; I1279-G1281 PolarHBondContact O-N 3.18Å; I1279-A1282 HydrophobicContact CB-CB 4Å; I1279-A1282 HydrophobicContact CG2-CB 4.04Å; I1279-A1282 WeakPolarHBondContact O-CB 3.46Å; I1279-A1282 PolarHBondContact O-N 2.89Å; I1279-D1314 HydrophobicContact CG2-CB 4.15Å; I1279-I1321 HydrophobicContact CD1-CD1 3.78Å; I1279-I1321 HydrophobicContact CD1-CG1 3.84Å; I1279-I1321 HydrophobicContact CD1-CG2 4.29Å; I1279-F1329 HydrophobicContact CD1-CE2 3.71Å; I1279-F1329 HydrophobicContact CD1-CZ 3.92Å; I1279-F1329 HydrophobicContact CG1-CE2 4.06Å; I1279-F1329 HydrophobicContact CG1-CZ 4.11Å |
| 1280 | P | 87 | Confident | 90 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 58% | 0.584 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 125.6 | -174.8 | -30.1 | 36.6 | 0 | 0 | 0 | 113.7 | A1282 | P1280-A1282 VanDerWaalsContact C-N 3.31Š|
| 1281 | G | 83.5 | Confident | 90 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 4.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | I1279 P1315 | I1279-G1281 PolarHBondContact O-N 3.18Å; G1281-P1315 WeakPolarHBondContact O-CD 3.37Å; G1281-P1315 WeakPolarHBondContact O-CG 3.49Å |
| 1282 | A | 88.6 | Confident | 89.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -58.1 | 145.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1275 Q1276 I1279 P1280 I1313 I1321 | V1275-A1282 HydrophobicContact CG1-CB 3.84Å; Q1276-A1282 WeakPolarHBondContact CG-O 3.14Å; Q1276-A1282 PolarHBondContact NE2-O 2.59Å; I1279-A1282 HydrophobicContact CB-CB 4Å; I1279-A1282 HydrophobicContact CG2-CB 4.04Å; I1279-A1282 WeakPolarHBondContact O-CB 3.46Å; I1279-A1282 PolarHBondContact O-N 2.89Å; P1280-A1282 VanDerWaalsContact C-N 3.31Å; A1282-I1313 CarbonylContact C-O 3.56Å; A1282-I1313 VanDerWaalsContact CA-O 3.27Å; A1282-I1313 WeakPolarHBondContact CA-O 3.38Å; A1282-I1321 HydrophobicContact CB-CD1 3.97Å | ||
| 1283 | K | 89.7 | Confident | 89.7 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.1 | 178.6 | -176.8 | 76.5 | -167.8 | 88.2 | 0 | 110.2 | I1150 D1272 V1285 A1312 I1313 | I1150-K1283 HydrophobicContact CB-CB 3.8Å; I1150-K1283 HydrophobicContact CB-CG 4.1Å; I1150-K1283 HydrophobicContact CD1-CB 4.16Å; I1150-K1283 HydrophobicContact CG2-CB 3.81Å; I1150-K1283 HydrophobicContact CG2-CG 4.33Å; D1272-K1283 IonicContact OD1-NZ 3.17Å; D1272-K1283 PolarHBondContact OD1-NZ 2.86Å; D1272-K1283 WeakPolarHBondContact OD2-CE 3.29Å; D1272-K1283 IonicContact OD2-NZ 3.57Å; D1272-K1283 PolarHBondContact OD2-NZ 3.18Å; K1283-V1285 HydrophobicContact CG-CG2 4.26Å; K1283-A1312 CarbonylContact O-C 3.58Å; K1283-A1312 VanDerWaalsContact O-CA 3.3Å; K1283-A1312 WeakPolarHBondContact O-CA 3.49Å; K1283-I1313 PolarHBondContact N-O 3.48Å; K1283-I1313 PolarHBondContact O-N 3.49Å |
| 1284 | V | 91.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 135.9 | 167.4 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | T1268 L1271 D1272 V1275 V1310 Y1311 A1312 | T1268-V1284 HydrophobicContact CG2-CB 4.41Å; T1268-V1284 WeakPolarHBondContact CG2-O 3.47Å; L1271-V1284 HydrophobicContact CB-CB 4.23Å; L1271-V1284 HydrophobicContact CB-CG1 4.01Å; L1271-V1284 HydrophobicContact CB-CG2 4.06Å; L1271-V1284 HydrophobicContact CD1-CG1 4.36Å; D1272-V1284 PolarHBondContact OD1-N 3.48Å; V1275-V1284 HydrophobicContact CB-CG2 3.98Å; V1275-V1284 HydrophobicContact CG2-CG2 3.67Å; V1284-V1310 HydrophobicContact CG1-CB 4.26Å; V1284-V1310 HydrophobicContact CG1-CG1 4.44Å; V1284-Y1311 WeakPolarHBondContact CA-O 3.4Å; V1284-A1312 HydrophobicContact CG2-CB 4.21Å |
| 1285 | V | 89.3 | Confident | 88.6 | Confident | 21 Ų | 21 | 48.1 Ų | 48.1 | 13% | 0.127 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 137.7 | 176.7 | -173.2 | 0 | 0 | 0 | 0 | 108.1 | K1283 V1310 Y1311 I1313 | K1283-V1285 HydrophobicContact CG-CG2 4.26Å; V1285-V1310 WeakPolarHBondContact O-CA 3.38Å; V1285-Y1311 HydrophobicContact CB-CD2 4.21Å; V1285-Y1311 HydrophobicContact CB-CE1 4.07Å; V1285-Y1311 HydrophobicContact CB-CE2 3.69Å; V1285-Y1311 HydrophobicContact CG1-CE1 4.07Å; V1285-Y1311 HydrophobicContact CG1-CE2 4.12Å; V1285-Y1311 WeakPolarHBondContact CG1-OH 3.46Å; V1285-Y1311 HydrophobicContact CG2-CE2 4.14Å; V1285-Y1311 PolarHBondContact N-O 2.77Å; V1285-Y1311 PolarHBondContact O-N 3.31Å; V1285-I1313 HydrophobicContact CG2-CD1 4.2Å |
| 1286 | V | 89.4 | Confident | 87.6 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 23% | 0.23 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125 | 178.1 | 176.7 | 0 | 0 | 0 | 0 | 108 | I1264 T1268 I1289 L1308 V1310 | I1264-V1286 HydrophobicContact CD1-CB 4.49Å; I1264-V1286 HydrophobicContact CD1-CG1 4.15Å; I1264-V1286 HydrophobicContact CD1-CG2 3.81Å; I1264-V1286 HydrophobicContact CG1-CB 4.44Å; I1264-V1286 HydrophobicContact CG1-CG1 4.34Å; I1264-V1286 HydrophobicContact CG1-CG2 4Å; T1268-V1286 WeakPolarHBondContact OG1-CG2 3.36Å; V1286-I1289 HydrophobicContact CG1-CG1 4.02Å; V1286-L1308 HydrophobicContact CG1-CD1 3.6Å; V1286-L1308 HydrophobicContact CG2-CD1 4.2Å; V1286-V1310 HydrophobicContact CG2-CG1 4.25Å |
| 1287 | E | 88.1 | Confident | 86.6 | Confident | 66 Ų | 66 | 56.2 Ų | 56.2 | 31% | 0.308 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -47.4 | 176.1 | -171.7 | 64.9 | -149 | 0 | 0 | 111.1 | S1154 M1248 T1309 Y1311 | S1154-E1287 WeakPolarHBondContact CB-OE1 3.34Å; M1248-E1287 HydrophobicContact CE-CB 4.03Å; M1248-E1287 HydrophobicContact CE-CG 3.59Å; M1248-E1287 HydrophobicContact SD-CB 4.33Å; M1248-E1287 HydrophobicContact SD-CG 4.15Å; E1287-T1309 HydrophobicContact CB-CG2 4.24Å; E1287-T1309 PolarHBondContact N-O 3.14Å; E1287-Y1311 HydrophobicContact CB-CD1 4.3Å; E1287-Y1311 HydrophobicContact CB-CE1 3.96Å; E1287-Y1311 WeakPolarHBondContact OE2-CE1 3.42Å; E1287-Y1311 PolarHBondContact OE2-OH 2.85Å |
| 1288 | S | 88 | Confident | 86.1 | Confident | 58 Ų | 58 | 54.9 Ų | 54.9 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 141.5 | -174.2 | 66.6 | 0 | 0 | 0 | 0 | 112.5 | T1309 | S1288-T1309 PolarHBondContact O-N 2.85Å; S1288-T1309 WeakPolarHBondContact OG-CB 3.5Å; S1288-T1309 PolarHBondContact OG-OG1 2.84Å |
| 1289 | I | 91.8 | Very high | 85.5 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 27% | 0.267 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.9 | 172.5 | -47.8 | 178 | 0 | 0 | 0 | 107 | P1257 V1260 E1261 I1264 V1286 C1306 L1308 | P1257-I1289 HydrophobicContact CB-CG2 4.22Å; V1260-I1289 HydrophobicContact CB-CG2 4.11Å; V1260-I1289 HydrophobicContact CG1-CD1 4.46Å; V1260-I1289 HydrophobicContact CG1-CG2 4.07Å; E1261-I1289 HydrophobicContact CB-CD1 3.96Å; E1261-I1289 HydrophobicContact CG-CD1 4.38Å; I1264-I1289 HydrophobicContact CB-CD1 4.22Å; I1264-I1289 HydrophobicContact CD1-CD1 3.71Å; I1264-I1289 HydrophobicContact CD1-CG1 4.35Å; I1264-I1289 HydrophobicContact CG1-CD1 3.87Å; V1286-I1289 HydrophobicContact CG1-CG1 4.02Å; I1289-C1306 VanDerWaalsContact CG2-SG 3.5Å; I1289-L1308 HydrophobicContact CG1-CD1 3.99Å |
| 1290 | G | 91.4 | Very high | 85.3 | Confident | 27 Ų | 27 | 57.9 Ų | 57.9 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 168.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1257 C1306 D1307 | P1257-G1290 WeakPolarHBondContact CG-O 3.45Å; G1290-C1306 CarbonylContact O-C 3.59Å; G1290-C1306 VanDerWaalsContact O-CA 3.29Å; G1290-C1306 WeakPolarHBondContact O-CA 3.37Å; G1290-C1306 PolarHBondContact O-SG 2.81Å; G1290-C1306 VanDerWaalsContact O-SG 3.34Å; G1290-D1307 PolarHBondContact N-O 2.96Å; G1290-D1307 PolarHBondContact O-N 2.92Å |
| 1291 | A | 91.5 | Very high | 85.3 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 145.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P1257 R1293 E1301 Y1303 | P1257-A1291 HydrophobicContact CG-CB 4.32Å; A1291-R1293 PolarHBondContact O-N 2.97Å; A1291-E1301 HydrophobicContact CB-CB 4.25Å; A1291-Y1303 HydrophobicContact CB-CD1 3.8Å; A1291-Y1303 HydrophobicContact CB-CD2 3.77Å; A1291-Y1303 HydrophobicContact CB-CE1 3.87Å; A1291-Y1303 HydrophobicContact CB-CE2 3.82Å; A1291-Y1303 HydrophobicContact CB-CG 3.72Å |
| 1292 | R | 91.4 | Very high | 85.6 | Confident | 50 Ų | 50 | 57.1 Ų | 57.1 | 19% | 0.189 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 121.6 | -177.5 | -179.7 | -174.5 | -173.4 | -171.4 | 10.8 | 111 | V1252 E1301 D1302 K1305 E1353 | V1252-R1292 HydrophobicContact CG1-CG 3.92Å; R1292-E1301 CarbonylContact O-C 3.55Å; R1292-E1301 WeakPolarHBondContact O-CA 3.43Å; R1292-D1302 HydrophobicContact CB-CB 4.34Å; R1292-D1302 PolarHBondContact N-O 2.78Å; R1292-D1302 VanDerWaalsContact N-O 3.15Å; R1292-D1302 PolarHBondContact O-N 3.4Å; R1292-K1305 HydrophobicContact CB-CB 3.62Å; R1292-K1305 HydrophobicContact CG-CB 4.45Å; R1292-K1305 PolarHBondContact N-O 2.86Å; R1292-E1353 IonicContact CZ-OE1 2.95Å; R1292-E1353 IonicContact NE-OE1 3.53Å; R1292-E1353 IonicContact NH2-OE1 2.71Å; R1292-E1353 PolarHBondContact NH2-OE1 2.83Å |
| 1293 | R | 87.1 | Confident | 85.7 | Confident | 96 Ų | 96 | 64.3 Ų | 64.3 | 36% | 0.362 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 130.3 | 172.9 | -64.5 | -167.5 | 160.2 | -167 | -8.8 | 110.9 | A1291 Y1298 L1300 E1301 D1307 R1355 E1358 | A1291-R1293 PolarHBondContact O-N 2.97Å; R1293-Y1298 WeakPolarHBondContact O-CD1 3.38Å; R1293-L1300 CarbonylContact C-O 3.43Å; R1293-L1300 WeakPolarHBondContact CA-O 3.32Å; R1293-E1301 HydrophobicContact CG-CG 4.28Å; R1293-E1301 IonicContact CZ-OE1 3.61Å; R1293-E1301 IonicContact NE-OE1 2.66Å; R1293-E1301 PolarHBondContact NE-OE1 3.22Å; R1293-E1301 VanDerWaalsContact NE-OE1 3.11Å; R1293-E1301 IonicContact NH2-OE1 3.32Å; R1293-E1301 PolarHBondContact NH2-OE1 2.87Å; R1293-D1307 PolarHBondContact N-OD2 3.4Å; R1293-R1355 PolarHBondContact O-NH2 3.39Å; R1293-E1358 VanDerWaalsContact CD-OE2 3.31Å; R1293-E1358 WeakPolarHBondContact CD-OE2 3.27Å; R1293-E1358 IonicContact NH1-OE1 2.67Å; R1293-E1358 PolarHBondContact NH1-OE1 3.2Å; R1293-E1358 IonicContact NH1-OE2 3.1Å |
| 1294 | H | 83.1 | Confident | 85.7 | Confident | 70 Ų | 70 | 64.9 Ų | 64.9 | 32% | 0.324 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | -177.8 | -172.1 | 74.9 | -51.6 | 0 | 0 | 0 | 112.2 | Y1298 S1299 L1300 | H1294-Y1298 CarbonylContact O-C 3.57Å; H1294-Y1298 VanDerWaalsContact O-C 3.28Å; H1294-Y1298 WeakPolarHBondContact O-CA 3.44Å; H1294-S1299 PolarHBondContact O-N 2.81Å; H1294-L1300 PolarHBondContact N-O 2.91Å; H1294-L1300 PolarHBondContact ND1-O 3.08Å; H1294-L1300 PolarHBondContact O-N 3.26Å |
| 1295 | G | 76.7 | Confident | 85.7 | Confident | 47 Ų | 47 | 67.2 Ų | 67.2 | 49% | 0.485 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 75.2 | -170.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1297 Y1298 | G1295-A1297 PolarHBondContact O-N 2.9Å; G1295-Y1298 PolarHBondContact O-N 2.76Å; G1295-Y1298 VanDerWaalsContact O-N 3.13Å |
| 1296 | D | 72.3 | Confident | 85.9 | Confident | 149 Ų | 149 | 66.2 Ų | 66.2 | 80% | 0.797 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -62.1 | 128.3 | -178.6 | -89.2 | -39.1 | 0 | 0 | 0 | 111.3 | Y1298 S1299 | D1296-Y1298 PolarHBondContact O-N 3.03Å; D1296-Y1298 VanDerWaalsContact O-N 3.1Å; D1296-S1299 WeakPolarHBondContact O-CB 3.45Å; D1296-S1299 PolarHBondContact O-N 3.17Å; D1296-S1299 VanDerWaalsContact O-N 3.13Å; D1296-S1299 PolarHBondContact O-OG 2.74Å |
| 1297 | A | 69.9 | Low | 86.1 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 82% | 0.818 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | 50.3 | 27.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | G1295 S1299 | G1295-A1297 PolarHBondContact O-N 2.9Å; A1297-S1299 VanDerWaalsContact C-N 3.25Å; A1297-S1299 PolarHBondContact O-N 3.5Å |
| 1298 | Y | 78.6 | Confident | 86.4 | Confident | 72 Ų | 72 | 61.8 Ų | 61.8 | 28% | 0.282 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | 62.5 | 25.5 | -178.2 | -60 | -68.5 | 0 | 0 | 0 | 114.7 | R1293 H1294 G1295 D1296 L1300 R1355 E1358 | R1293-Y1298 WeakPolarHBondContact O-CD1 3.38Å; H1294-Y1298 CarbonylContact O-C 3.57Å; H1294-Y1298 VanDerWaalsContact O-C 3.28Å; H1294-Y1298 WeakPolarHBondContact O-CA 3.44Å; G1295-Y1298 PolarHBondContact O-N 2.76Å; G1295-Y1298 VanDerWaalsContact O-N 3.13Å; D1296-Y1298 PolarHBondContact O-N 3.03Å; D1296-Y1298 VanDerWaalsContact O-N 3.1Å; Y1298-L1300 VanDerWaalsContact C-N 3.35Å; Y1298-L1300 PolarHBondContact O-N 3.13Å; Y1298-R1355 VanDerWaalsContact CZ-NH1 3.28Å; Y1298-E1358 WeakPolarHBondContact CB-OE2 3.36Å; Y1298-E1358 HydrophobicContact CD2-CB 3.63Å; Y1298-E1358 HydrophobicContact CE2-CB 4.23Å; Y1298-E1358 HydrophobicContact CG-CB 4.23Å |
| 1299 | S | 78.6 | Confident | 86.5 | Confident | 91 Ų | 91 | 59.9 Ų | 59.9 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | trans | -75.5 | -8.1 | -173.5 | 58.2 | 0 | 0 | 0 | 0 | 116.8 | H1294 D1296 A1297 | H1294-S1299 PolarHBondContact O-N 2.81Å; D1296-S1299 WeakPolarHBondContact O-CB 3.45Å; D1296-S1299 PolarHBondContact O-N 3.17Å; D1296-S1299 VanDerWaalsContact O-N 3.13Å; D1296-S1299 PolarHBondContact O-OG 2.74Å; A1297-S1299 VanDerWaalsContact C-N 3.25Å; A1297-S1299 PolarHBondContact O-N 3.5Å | ||
| 1300 | L | 83.6 | Confident | 86.6 | Confident | 93 Ų | 93 | 57.4 Ų | 57.4 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 139.4 | 179.6 | -63.3 | 102 | 0 | 0 | 0 | 112 | R1293 H1294 Y1298 | R1293-L1300 CarbonylContact C-O 3.43Å; R1293-L1300 WeakPolarHBondContact CA-O 3.32Å; H1294-L1300 PolarHBondContact N-O 2.91Å; H1294-L1300 PolarHBondContact ND1-O 3.08Å; H1294-L1300 PolarHBondContact O-N 3.26Å; Y1298-L1300 VanDerWaalsContact C-N 3.35Å; Y1298-L1300 PolarHBondContact O-N 3.13Å |
| 1301 | E | 87.1 | Confident | 86.6 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 38% | 0.379 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.3 | 178.1 | -61.3 | -171.2 | 154.2 | 0 | 0 | 111.3 | A1291 R1292 R1293 Y1303 | A1291-E1301 HydrophobicContact CB-CB 4.25Å; R1292-E1301 CarbonylContact O-C 3.55Å; R1292-E1301 WeakPolarHBondContact O-CA 3.43Å; R1293-E1301 HydrophobicContact CG-CG 4.28Å; R1293-E1301 IonicContact CZ-OE1 3.61Å; R1293-E1301 IonicContact NE-OE1 2.66Å; R1293-E1301 PolarHBondContact NE-OE1 3.22Å; R1293-E1301 VanDerWaalsContact NE-OE1 3.11Å; R1293-E1301 IonicContact NH2-OE1 3.32Å; R1293-E1301 PolarHBondContact NH2-OE1 2.87Å; E1301-Y1303 HydrophobicContact CB-CD2 4.19Å; E1301-Y1303 HydrophobicContact CB-CE2 3.61Å; E1301-Y1303 WeakPolarHBondContact OE2-CE2 3.42Å; E1301-Y1303 PolarHBondContact OE2-OH 2.87Å |
| 1302 | D | 90.2 | Very high | 86.7 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 17% | 0.166 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 96.6 | 177.5 | 175.1 | 6.9 | 0 | 0 | 0 | 110 | R1292 S1304 K1305 | R1292-D1302 HydrophobicContact CB-CB 4.34Å; R1292-D1302 PolarHBondContact N-O 2.78Å; R1292-D1302 VanDerWaalsContact N-O 3.15Å; R1292-D1302 PolarHBondContact O-N 3.4Å; D1302-S1304 PolarHBondContact O-N 3.35Å; D1302-S1304 WeakPolarHBondContact OD1-CB 3.46Å; D1302-S1304 PolarHBondContact OD1-N 3.08Å; D1302-S1304 PolarHBondContact OD1-OG 3.41Å; D1302-S1304 PolarHBondContact OD2-OG 3.36Å; D1302-K1305 PolarHBondContact O-N 2.71Å; D1302-K1305 VanDerWaalsContact O-N 3.12Å; D1302-K1305 IonicContact OD1-NZ 2.76Å; D1302-K1305 VanDerWaalsContact OD2-CD 3.26Å; D1302-K1305 WeakPolarHBondContact OD2-CD 3.28Å; D1302-K1305 WeakPolarHBondContact OD2-CE 3.46Å; D1302-K1305 IonicContact OD2-NZ 3.13Å; D1302-K1305 PolarHBondContact OD2-NZ 3.18Å |
| 1303 | Y | 90.2 | Very high | 86.7 | Confident | 152 Ų | 152 | 53.4 Ų | 53.4 | 60% | 0.596 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | -7 | -177.9 | -72.5 | -103.6 | 0 | 0 | 0 | 113.7 | P1257 A1291 E1301 K1305 | P1257-Y1303 WeakPolarHBondContact CD-O 3.49Å; A1291-Y1303 HydrophobicContact CB-CD1 3.8Å; A1291-Y1303 HydrophobicContact CB-CD2 3.77Å; A1291-Y1303 HydrophobicContact CB-CE1 3.87Å; A1291-Y1303 HydrophobicContact CB-CE2 3.82Å; A1291-Y1303 HydrophobicContact CB-CG 3.72Å; E1301-Y1303 HydrophobicContact CB-CD2 4.19Å; E1301-Y1303 HydrophobicContact CB-CE2 3.61Å; E1301-Y1303 WeakPolarHBondContact OE2-CE2 3.42Å; E1301-Y1303 PolarHBondContact OE2-OH 2.87Å; Y1303-K1305 PolarHBondContact O-N 3.24Å |
| 1304 | S | 89.3 | Confident | 86.9 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 41% | 0.406 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -8.7 | 169.7 | 73.2 | 0 | 0 | 0 | 0 | 113 | V1255 D1302 | V1255-S1304 CarbonylContact C-O 3.55Å; D1302-S1304 PolarHBondContact O-N 3.35Å; D1302-S1304 WeakPolarHBondContact OD1-CB 3.46Å; D1302-S1304 PolarHBondContact OD1-N 3.08Å; D1302-S1304 PolarHBondContact OD1-OG 3.41Å; D1302-S1304 PolarHBondContact OD2-OG 3.36Å |
| 1305 | K | 92.2 | Very high | 87 | Confident | 51 Ų | 51 | 47.6 Ų | 47.6 | 22% | 0.222 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 161.7 | -173.4 | -60.7 | -176.7 | -167.1 | 60.4 | 0 | 109.8 | S1253 V1255 R1292 D1302 Y1303 L1352 | S1253-K1305 WeakPolarHBondContact O-CA 3.42Å; S1253-K1305 VanDerWaalsContact O-CB 3.32Å; S1253-K1305 WeakPolarHBondContact O-CB 3.42Å; V1255-K1305 CarbonylContact O-C 3.56Å; V1255-K1305 VanDerWaalsContact O-CA 3.25Å; V1255-K1305 WeakPolarHBondContact O-CA 3.36Å; R1292-K1305 HydrophobicContact CB-CB 3.62Å; R1292-K1305 HydrophobicContact CG-CB 4.45Å; R1292-K1305 PolarHBondContact N-O 2.86Å; D1302-K1305 PolarHBondContact O-N 2.71Å; D1302-K1305 VanDerWaalsContact O-N 3.12Å; D1302-K1305 IonicContact OD1-NZ 2.76Å; D1302-K1305 VanDerWaalsContact OD2-CD 3.26Å; D1302-K1305 WeakPolarHBondContact OD2-CD 3.28Å; D1302-K1305 WeakPolarHBondContact OD2-CE 3.46Å; D1302-K1305 IonicContact OD2-NZ 3.13Å; D1302-K1305 PolarHBondContact OD2-NZ 3.18Å; Y1303-K1305 PolarHBondContact O-N 3.24Å; K1305-L1352 HydrophobicContact CD-CD1 4.22Å |
| 1306 | C | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.7 | -176.1 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | V1252 S1253 V1255 P1257 V1260 I1289 G1290 | V1252-C1306 CarbonylContact C-O 3.54Å; V1252-C1306 WeakPolarHBondContact CA-O 3.2Å; S1253-C1306 PolarHBondContact N-O 3.25Å; S1253-C1306 PolarHBondContact O-N 2.89Å; V1255-C1306 WeakPolarHBondContact O-CB 3.47Å; V1255-C1306 PolarHBondContact O-N 2.63Å; P1257-C1306 HydrophobicContact CG-CB 4.34Å; V1260-C1306 HydrophobicContact CG2-CB 3.88Å; I1289-C1306 VanDerWaalsContact CG2-SG 3.5Å; G1290-C1306 CarbonylContact O-C 3.59Å; G1290-C1306 VanDerWaalsContact O-CA 3.29Å; G1290-C1306 WeakPolarHBondContact O-CA 3.37Å; G1290-C1306 PolarHBondContact O-SG 2.81Å; G1290-C1306 VanDerWaalsContact O-SG 3.34Å |
| 1307 | D | 93.6 | Very high | 88.4 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.053 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 109.5 | 158.3 | -82.3 | -20.5 | 0 | 0 | 0 | 107.9 | V1250 V1252 G1290 R1293 R1355 | V1250-D1307 HydrophobicContact CG1-CB 3.58Å; V1252-D1307 WeakPolarHBondContact CG2-OD1 3.4Å; G1290-D1307 PolarHBondContact N-O 2.96Å; G1290-D1307 PolarHBondContact O-N 2.92Å; R1293-D1307 PolarHBondContact N-OD2 3.4Å; D1307-R1355 IonicContact OD1-NE 2.74Å; D1307-R1355 IonicContact OD1-NH2 2.79Å; D1307-R1355 IonicContact OD2-CZ 3.35Å; D1307-R1355 IonicContact OD2-NE 3.3Å; D1307-R1355 IonicContact OD2-NH2 2.71Å; D1307-R1355 PolarHBondContact OD2-NH2 3.4Å |
| 1308 | L | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 107.7 | 177.8 | 170.6 | 62.8 | 0 | 0 | 0 | 108.8 | I1251 V1260 I1264 V1286 I1289 V1310 | I1251-L1308 HydrophobicContact CB-CB 4.28Å; I1251-L1308 HydrophobicContact CD1-CD2 4.46Å; I1251-L1308 PolarHBondContact N-O 2.73Å; I1251-L1308 PolarHBondContact O-N 3.34Å; V1260-L1308 HydrophobicContact CG1-CD1 4.18Å; V1260-L1308 HydrophobicContact CG1-CD2 4.1Å; I1264-L1308 HydrophobicContact CD1-CD1 3.81Å; V1286-L1308 HydrophobicContact CG1-CD1 3.6Å; V1286-L1308 HydrophobicContact CG2-CD1 4.2Å; I1289-L1308 HydrophobicContact CG1-CD1 3.99Å; L1308-V1310 HydrophobicContact CD1-CG1 4.37Å; L1308-V1310 HydrophobicContact CD2-CG1 4.44Å; L1308-V1310 HydrophobicContact CG-CG1 3.98Å |
| 1309 | T | 91.6 | Very high | 89.8 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 122.1 | -178 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | M1248 Q1249 V1250 E1287 S1288 | M1248-T1309 HydrophobicContact CB-CG2 4.02Å; M1248-T1309 HydrophobicContact CG-CG2 4.32Å; M1248-T1309 HydrophobicContact SD-CG2 3.97Å; Q1249-T1309 WeakPolarHBondContact O-CA 3.46Å; V1250-T1309 HydrophobicContact CG2-CG2 4.46Å; E1287-T1309 HydrophobicContact CB-CG2 4.24Å; E1287-T1309 PolarHBondContact N-O 3.14Å; S1288-T1309 PolarHBondContact O-N 2.85Å; S1288-T1309 WeakPolarHBondContact OG-CB 3.5Å; S1288-T1309 PolarHBondContact OG-OG1 2.84Å |
| 1310 | V | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 156.7 | -175 | -59.9 | 0 | 0 | 0 | 0 | 112 | M1248 Q1249 I1251 L1271 V1284 V1285 V1286 L1308 L1330 | M1248-V1310 CarbonylContact C-O 3.52Å; M1248-V1310 WeakPolarHBondContact CA-O 3.41Å; Q1249-V1310 PolarHBondContact N-O 2.74Å; Q1249-V1310 PolarHBondContact O-N 2.92Å; I1251-V1310 HydrophobicContact CD1-CG1 4.16Å; I1251-V1310 HydrophobicContact CD1-CG2 3.85Å; I1251-V1310 HydrophobicContact CG1-CG2 4.04Å; L1271-V1310 HydrophobicContact CD1-CG1 4.44Å; V1284-V1310 HydrophobicContact CG1-CB 4.26Å; V1284-V1310 HydrophobicContact CG1-CG1 4.44Å; V1285-V1310 WeakPolarHBondContact O-CA 3.38Å; V1286-V1310 HydrophobicContact CG2-CG1 4.25Å; L1308-V1310 HydrophobicContact CD1-CG1 4.37Å; L1308-V1310 HydrophobicContact CD2-CG1 4.44Å; L1308-V1310 HydrophobicContact CG-CG1 3.98Å; V1310-L1330 HydrophobicContact CG2-CD1 4.38Å |
| 1311 | Y | 92.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 170 | 163.6 | 56 | -81.1 | 0 | 0 | 0 | 108.8 | G1152 V1153 V1243 M1248 V1284 V1285 E1287 I1313 | G1152-Y1311 VanDerWaalsContact CA-OH 3.29Å; G1152-Y1311 WeakPolarHBondContact CA-OH 3.28Å; G1152-Y1311 PolarHBondContact O-OH 3.19Å; V1153-Y1311 PolarHBondContact N-OH 2.67Å; V1243-Y1311 HydrophobicContact CB-CD2 4.32Å; V1243-Y1311 HydrophobicContact CB-CE2 4.31Å; V1243-Y1311 HydrophobicContact CG1-CD2 3.67Å; V1243-Y1311 HydrophobicContact CG1-CE2 3.71Å; V1243-Y1311 HydrophobicContact CG1-CG 4.35Å; V1243-Y1311 HydrophobicContact CG2-CD1 4.12Å; V1243-Y1311 HydrophobicContact CG2-CD2 4.04Å; V1243-Y1311 HydrophobicContact CG2-CE1 3.83Å; V1243-Y1311 HydrophobicContact CG2-CE2 3.69Å; V1243-Y1311 HydrophobicContact CG2-CG 4.21Å; M1248-Y1311 HydrophobicContact CE-CD1 4.14Å; M1248-Y1311 HydrophobicContact CE-CE1 4.26Å; M1248-Y1311 HydrophobicContact CG-CD1 4.05Å; M1248-Y1311 HydrophobicContact CG-CG 4.44Å; V1284-Y1311 WeakPolarHBondContact CA-O 3.4Å; V1285-Y1311 HydrophobicContact CB-CD2 4.21Å; V1285-Y1311 HydrophobicContact CB-CE1 4.07Å; V1285-Y1311 HydrophobicContact CB-CE2 3.69Å; V1285-Y1311 HydrophobicContact CG1-CE1 4.07Å; V1285-Y1311 HydrophobicContact CG1-CE2 4.12Å; V1285-Y1311 WeakPolarHBondContact CG1-OH 3.46Å; V1285-Y1311 HydrophobicContact CG2-CE2 4.14Å; V1285-Y1311 PolarHBondContact N-O 2.77Å; V1285-Y1311 PolarHBondContact O-N 3.31Å; E1287-Y1311 HydrophobicContact CB-CD1 4.3Å; E1287-Y1311 HydrophobicContact CB-CE1 3.96Å; E1287-Y1311 WeakPolarHBondContact OE2-CE1 3.42Å; E1287-Y1311 PolarHBondContact OE2-OH 2.85Å; Y1311-I1313 HydrophobicContact CD2-CG1 4.25Å; Y1311-I1313 HydrophobicContact CE2-CD1 4.06Å; Y1311-I1313 HydrophobicContact CE2-CG1 4.25Å |
| 1312 | A | 92.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | V1275 K1283 V1284 A1320 I1321 L1326 | V1275-A1312 HydrophobicContact CG1-CB 4.05Å; K1283-A1312 CarbonylContact O-C 3.58Å; K1283-A1312 VanDerWaalsContact O-CA 3.3Å; K1283-A1312 WeakPolarHBondContact O-CA 3.49Å; V1284-A1312 HydrophobicContact CG2-CB 4.21Å; A1312-A1320 WeakPolarHBondContact O-CA 3.21Å; A1312-I1321 HydrophobicContact CB-CD1 3.72Å; A1312-I1321 PolarHBondContact O-N 3.26Å; A1312-L1326 HydrophobicContact CB-CD1 3.82Å; A1312-L1326 HydrophobicContact CB-CD2 4.32Å |
| 1313 | I | 92.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.9 | -179.8 | -62.8 | 167.1 | 0 | 0 | 0 | 108.8 | I1150 G1151 L1239 A1282 K1283 V1285 Y1311 R1319 | I1150-I1313 HydrophobicContact CG2-CB 3.89Å; I1150-I1313 HydrophobicContact CG2-CD1 4.09Å; I1150-I1313 HydrophobicContact CG2-CG2 3.71Å; G1151-I1313 VanDerWaalsContact C-CD1 3.48Å; G1151-I1313 WeakPolarHBondContact O-CD1 3.19Å; L1239-I1313 HydrophobicContact CD2-CG2 4.33Å; A1282-I1313 CarbonylContact C-O 3.56Å; A1282-I1313 VanDerWaalsContact CA-O 3.27Å; A1282-I1313 WeakPolarHBondContact CA-O 3.38Å; K1283-I1313 PolarHBondContact N-O 3.48Å; K1283-I1313 PolarHBondContact O-N 3.49Å; V1285-I1313 HydrophobicContact CG2-CD1 4.2Å; Y1311-I1313 HydrophobicContact CD2-CG1 4.25Å; Y1311-I1313 HydrophobicContact CE2-CD1 4.06Å; Y1311-I1313 HydrophobicContact CE2-CG1 4.25Å; I1313-R1319 WeakPolarHBondContact CA-O 3.35Å |
| 1314 | D | 90.6 | Very high | 90.6 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.5 | 171.5 | 159.5 | 41.2 | 0 | 0 | 0 | 110 | I1279 Q1316 T1317 N1318 R1319 I1321 | I1279-D1314 HydrophobicContact CG2-CB 4.15Å; D1314-Q1316 VanDerWaalsContact C-N 3.26Å; D1314-Q1316 PolarHBondContact O-N 2.95Å; D1314-Q1316 VanDerWaalsContact OD1-CB 3.31Å; D1314-Q1316 WeakPolarHBondContact OD1-CB 3.37Å; D1314-Q1316 WeakPolarHBondContact OD1-CG 3.26Å; D1314-Q1316 PolarHBondContact OD1-N 2.71Å; D1314-T1317 WeakPolarHBondContact OD2-CB 3.34Å; D1314-T1317 VanDerWaalsContact OD2-CG2 3.23Å; D1314-T1317 WeakPolarHBondContact OD2-CG2 3.3Å; D1314-T1317 PolarHBondContact OD2-N 3.17Å; D1314-T1317 PolarHBondContact OD2-OG1 3.45Å; D1314-N1318 WeakPolarHBondContact O-CA 3.37Å; D1314-N1318 PolarHBondContact O-N 2.82Å; D1314-R1319 PolarHBondContact N-O 3.47Å; D1314-R1319 PolarHBondContact O-N 3.04Å; D1314-I1321 HydrophobicContact CB-CD1 4.16Å; D1314-I1321 HydrophobicContact CB-CG1 3.78Å |
| 1315 | P | 86.8 | Confident | 90.7 | Very high | 30 Ų | 30 | 35.7 Ų | 35.7 | 20% | 0.195 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -22.6 | 177.3 | 29.5 | -37.5 | 0 | 0 | 0 | 113.5 | F1148 I1150 G1281 N1318 | F1148-P1315 HydrophobicContact CE1-CB 4.13Å; I1150-P1315 HydrophobicContact CD1-CB 3.95Å; I1150-P1315 HydrophobicContact CD1-CG 4.49Å; G1281-P1315 WeakPolarHBondContact O-CD 3.37Å; G1281-P1315 WeakPolarHBondContact O-CG 3.49Å; P1315-N1318 PolarHBondContact O-ND2 2.84Å |
| 1316 | Q | 87 | Confident | 90.6 | Very high | 141 Ų | 141 | 33.3 Ų | 33.3 | 66% | 0.659 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -48.8 | -177.6 | -53.6 | -174.1 | 23 | 0 | 0 | 110.8 | D1314 N1318 | D1314-Q1316 VanDerWaalsContact C-N 3.26Å; D1314-Q1316 PolarHBondContact O-N 2.95Å; D1314-Q1316 VanDerWaalsContact OD1-CB 3.31Å; D1314-Q1316 WeakPolarHBondContact OD1-CB 3.37Å; D1314-Q1316 WeakPolarHBondContact OD1-CG 3.26Å; D1314-Q1316 PolarHBondContact OD1-N 2.71Å; Q1316-N1318 PolarHBondContact O-ND2 3.44Å |
| 1317 | T | 89.8 | Confident | 90.6 | Very high | 71 Ų | 71 | 36.5 Ų | 36.5 | 44% | 0.436 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -7.7 | 175.4 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | D1314 R1319 | D1314-T1317 WeakPolarHBondContact OD2-CB 3.34Å; D1314-T1317 VanDerWaalsContact OD2-CG2 3.23Å; D1314-T1317 WeakPolarHBondContact OD2-CG2 3.3Å; D1314-T1317 PolarHBondContact OD2-N 3.17Å; D1314-T1317 PolarHBondContact OD2-OG1 3.45Å; T1317-R1319 WeakPolarHBondContact O-CG 3.21Å; T1317-R1319 PolarHBondContact O-N 2.87Å |
| 1318 | N | 90.2 | Very high | 90.4 | Very high | 34 Ų | 34 | 42.3 Ų | 42.3 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 31.7 | -176.1 | -65.6 | -101.5 | 0 | 0 | 0 | 112.9 | Y1217 L1239 D1314 P1315 Q1316 | Y1217-N1318 VanDerWaalsContact CB-O 3.23Å; Y1217-N1318 WeakPolarHBondContact CB-O 3.18Å; Y1217-N1318 HydrophobicContact CD1-CB 3.75Å; Y1217-N1318 WeakPolarHBondContact CD1-O 2.98Å; Y1217-N1318 HydrophobicContact CD2-CB 3.97Å; Y1217-N1318 HydrophobicContact CE1-CB 3.88Å; Y1217-N1318 HydrophobicContact CE2-CB 4.11Å; Y1217-N1318 HydrophobicContact CG-CB 3.81Å; L1239-N1318 HydrophobicContact CD1-CB 3.98Å; L1239-N1318 WeakPolarHBondContact CD1-OD1 3.36Å; L1239-N1318 HydrophobicContact CD2-CB 4.2Å; D1314-N1318 WeakPolarHBondContact O-CA 3.37Å; D1314-N1318 PolarHBondContact O-N 2.82Å; P1315-N1318 PolarHBondContact O-ND2 2.84Å; Q1316-N1318 PolarHBondContact O-ND2 3.44Å |
| 1319 | R | 89 | Confident | 90.4 | Very high | 104 Ų | 104 | 43.8 Ų | 43.8 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 164.4 | -168.2 | -75.7 | 171.1 | 175.4 | 143.5 | 2.9 | 111.6 | R1215 Y1217 I1313 D1314 T1317 I1321 | R1215-R1319 HydrophobicContact CB-CG 4.4Å; R1215-R1319 PolarHBondContact O-NE 2.85Å; R1215-R1319 VanDerWaalsContact O-NE 3.14Å; Y1217-R1319 HydrophobicContact CD1-CG 4.42Å; I1313-R1319 WeakPolarHBondContact CA-O 3.35Å; D1314-R1319 PolarHBondContact N-O 3.47Å; D1314-R1319 PolarHBondContact O-N 3.04Å; T1317-R1319 WeakPolarHBondContact O-CG 3.21Å; T1317-R1319 PolarHBondContact O-N 2.87Å; R1319-I1321 PolarHBondContact O-N 2.91Å |
| 1320 | A | 89.1 | Confident | 90.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 134.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1215 S1241 V1243 D1247 A1312 | R1215-A1320 PolarHBondContact NH2-O 2.82Å; S1241-A1320 PolarHBondContact OG-N 3.28Å; V1243-A1320 HydrophobicContact CG1-CB 3.68Å; D1247-A1320 HydrophobicContact CB-CB 3.93Å; A1312-A1320 WeakPolarHBondContact O-CA 3.21Å |
| 1321 | I | 90.6 | Very high | 90.3 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 149.5 | 167.8 | -68.6 | 159.2 | 0 | 0 | 0 | 108.6 | V1275 I1279 A1282 A1312 D1314 R1319 R1323 E1325 L1326 F1329 | V1275-I1321 HydrophobicContact CG1-CD1 4.21Å; I1279-I1321 HydrophobicContact CD1-CD1 3.78Å; I1279-I1321 HydrophobicContact CD1-CG1 3.84Å; I1279-I1321 HydrophobicContact CD1-CG2 4.29Å; A1282-I1321 HydrophobicContact CB-CD1 3.97Å; A1312-I1321 HydrophobicContact CB-CD1 3.72Å; A1312-I1321 PolarHBondContact O-N 3.26Å; D1314-I1321 HydrophobicContact CB-CD1 4.16Å; D1314-I1321 HydrophobicContact CB-CG1 3.78Å; R1319-I1321 PolarHBondContact O-N 2.91Å; I1321-R1323 PolarHBondContact O-N 2.91Å; I1321-E1325 HydrophobicContact CG2-CB 3.97Å; I1321-L1326 HydrophobicContact CG2-CB 4.45Å; I1321-F1329 HydrophobicContact CG2-CE2 4.02Å |
| 1322 | D | 88 | Confident | 90.1 | Very high | 58 Ų | 58 | 49.2 Ų | 49.2 | 31% | 0.31 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 135.1 | 177.1 | 177.4 | 36.6 | 0 | 0 | 0 | 110.4 | N1324 E1325 L1326 | D1322-N1324 VanDerWaalsContact CG-ND2 3.29Å; D1322-N1324 PolarHBondContact O-N 3.05Å; D1322-N1324 PolarHBondContact OD1-ND2 2.91Å; D1322-N1324 VanDerWaalsContact OD1-ND2 3.08Å; D1322-N1324 VanDerWaalsContact OD2-CB 3.31Å; D1322-N1324 WeakPolarHBondContact OD2-CB 3.32Å; D1322-N1324 PolarHBondContact OD2-ND2 3.38Å; D1322-E1325 HydrophobicContact CB-CB 4.48Å; D1322-E1325 HydrophobicContact CB-CG 4.17Å; D1322-E1325 WeakPolarHBondContact O-CA 3.31Å; D1322-E1325 WeakPolarHBondContact O-CB 3.45Å; D1322-E1325 PolarHBondContact O-N 2.61Å; D1322-L1326 PolarHBondContact O-N 2.86Å |
| 1323 | R | 88.7 | Confident | 90 | Very high | 50 Ų | 50 | 51.5 Ų | 51.5 | 19% | 0.189 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.2 | -27.2 | 180 | 64.8 | 157.2 | -172.2 | -104.4 | 3.6 | 112.8 | L1246 Q1249 I1321 E1325 F1327 | L1246-R1323 VanDerWaalsContact O-CD 3.31Å; L1246-R1323 WeakPolarHBondContact O-CD 3.41Å; L1246-R1323 WeakPolarHBondContact O-CG 3.41Å; L1246-R1323 PolarHBondContact O-NH1 2.86Å; Q1249-R1323 HydrophobicContact CG-CB 4.23Å; Q1249-R1323 PolarHBondContact NE2-O 2.8Å; I1321-R1323 PolarHBondContact O-N 2.91Å; R1323-E1325 VanDerWaalsContact C-N 3.34Å; R1323-F1327 VanDerWaalsContact O-CB 3.28Å; R1323-F1327 WeakPolarHBondContact O-CB 2.98Å; R1323-F1327 PolarHBondContact O-N 2.82Å |
| 1324 | N | 89.1 | Confident | 89.9 | Confident | 70 Ų | 70 | 53.1 Ų | 53.1 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -81.8 | -16.1 | 179.7 | -41.2 | -70.5 | 0 | 0 | 0 | 112.1 | D1322 K1328 | D1322-N1324 VanDerWaalsContact CG-ND2 3.29Å; D1322-N1324 PolarHBondContact O-N 3.05Å; D1322-N1324 PolarHBondContact OD1-ND2 2.91Å; D1322-N1324 VanDerWaalsContact OD1-ND2 3.08Å; D1322-N1324 VanDerWaalsContact OD2-CB 3.31Å; D1322-N1324 WeakPolarHBondContact OD2-CB 3.32Å; D1322-N1324 PolarHBondContact OD2-ND2 3.38Å; N1324-K1328 WeakPolarHBondContact O-CD 3.5Å; N1324-K1328 WeakPolarHBondContact O-CE 3.41Å; N1324-K1328 VanDerWaalsContact O-CG 3.25Å; N1324-K1328 WeakPolarHBondContact O-CG 3.33Å |
| 1325 | E | 90.8 | Very high | 89.8 | Confident | 86 Ų | 86 | 59.2 Ų | 59.2 | 40% | 0.402 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -85.9 | -47.5 | 168.8 | -64.1 | 179.8 | 144.5 | 0 | 0 | 110 | I1321 D1322 R1323 F1327 K1328 F1329 | I1321-E1325 HydrophobicContact CG2-CB 3.97Å; D1322-E1325 HydrophobicContact CB-CB 4.48Å; D1322-E1325 HydrophobicContact CB-CG 4.17Å; D1322-E1325 WeakPolarHBondContact O-CA 3.31Å; D1322-E1325 WeakPolarHBondContact O-CB 3.45Å; D1322-E1325 PolarHBondContact O-N 2.61Å; R1323-E1325 VanDerWaalsContact C-N 3.34Å; E1325-F1327 PolarHBondContact O-N 2.92Å; E1325-K1328 WeakPolarHBondContact O-CA 3.12Å; E1325-K1328 WeakPolarHBondContact O-CB 3.48Å; E1325-K1328 PolarHBondContact O-N 2.98Å; E1325-F1329 HydrophobicContact CB-CE1 4.46Å; E1325-F1329 HydrophobicContact CB-CE2 4.07Å; E1325-F1329 HydrophobicContact CB-CZ 3.9Å; E1325-F1329 WeakPolarHBondContact O-CD1 3.49Å; E1325-F1329 WeakPolarHBondContact O-CD2 2.98Å; E1325-F1329 WeakPolarHBondContact O-CG 3.31Å; E1325-F1329 PolarHBondContact O-N 2.79Å |
| 1326 | L | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.7 | -40.7 | 172.5 | -178.1 | 59.7 | 0 | 0 | 0 | 112.2 | Q1249 V1275 A1312 I1321 D1322 F1329 L1330 | Q1249-L1326 HydrophobicContact CG-CD2 4.43Å; V1275-L1326 HydrophobicContact CG2-CD1 3.87Å; A1312-L1326 HydrophobicContact CB-CD1 3.82Å; A1312-L1326 HydrophobicContact CB-CD2 4.32Å; I1321-L1326 HydrophobicContact CG2-CB 4.45Å; D1322-L1326 PolarHBondContact O-N 2.86Å; L1326-F1329 PolarHBondContact O-N 3.3Å; L1326-L1330 HydrophobicContact CD1-CD1 3.83Å; L1326-L1330 HydrophobicContact CD1-CG 4.09Å; L1326-L1330 HydrophobicContact CG-CD1 4.09Å; L1326-L1330 WeakPolarHBondContact O-CG 3.32Å; L1326-L1330 PolarHBondContact O-N 3.46Å; L1326-L1330 VanDerWaalsContact O-N 3.1Å |
| 1327 | F | 92 | Very high | 90.2 | Very high | 67 Ų | 67 | 53.6 Ų | 53.6 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.5 | -51 | 171.1 | 177.7 | -92.9 | 0 | 0 | 0 | 112.1 | Q1249 R1323 E1325 F1329 L1330 D1331 I1354 | Q1249-F1327 HydrophobicContact CG-CB 4.46Å; R1323-F1327 VanDerWaalsContact O-CB 3.28Å; R1323-F1327 WeakPolarHBondContact O-CB 2.98Å; R1323-F1327 PolarHBondContact O-N 2.82Å; E1325-F1327 PolarHBondContact O-N 2.92Å; F1327-F1329 VanDerWaalsContact C-N 3.31Å; F1327-F1329 PolarHBondContact O-N 3.34Å; F1327-L1330 PolarHBondContact O-N 3.29Å; F1327-D1331 HydrophobicContact CD1-CB 4.36Å; F1327-D1331 HydrophobicContact CE1-CB 3.96Å; F1327-D1331 HydrophobicContact CE2-CB 4.18Å; F1327-D1331 HydrophobicContact CZ-CB 3.86Å; F1327-D1331 WeakPolarHBondContact O-CB 3.42Å; F1327-D1331 PolarHBondContact O-N 3.04Å; F1327-I1354 HydrophobicContact CD2-CB 4.17Å; F1327-I1354 HydrophobicContact CD2-CG2 3.94Å; F1327-I1354 HydrophobicContact CE2-CB 4.08Å; F1327-I1354 HydrophobicContact CE2-CG2 4.35Å; F1327-I1354 WeakPolarHBondContact CE2-O 3.5Å |
| 1328 | K | 90.9 | Very high | 90.3 | Very high | 133 Ų | 133 | 51.4 Ų | 51.4 | 58% | 0.578 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.7 | -38.2 | 180 | -69.1 | 163.6 | -169.3 | 167.3 | 0 | 112.3 | N1324 E1325 G1332 | N1324-K1328 WeakPolarHBondContact O-CD 3.5Å; N1324-K1328 WeakPolarHBondContact O-CE 3.41Å; N1324-K1328 VanDerWaalsContact O-CG 3.25Å; N1324-K1328 WeakPolarHBondContact O-CG 3.33Å; E1325-K1328 WeakPolarHBondContact O-CA 3.12Å; E1325-K1328 WeakPolarHBondContact O-CB 3.48Å; E1325-K1328 PolarHBondContact O-N 2.98Å; K1328-G1332 WeakPolarHBondContact O-CA 3.21Å; K1328-G1332 PolarHBondContact O-N 2.75Å |
| 1329 | F | 92.3 | Very high | 90.3 | Very high | 31 Ų | 31 | 55.9 Ų | 55.9 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.6 | -45.9 | -179.8 | -57.3 | -24 | 0 | 0 | 0 | 111.3 | V1275 Q1278 I1279 I1321 E1325 L1326 F1327 K1333 | V1275-F1329 HydrophobicContact CG1-CD2 4.3Å; Q1278-F1329 HydrophobicContact CB-CD1 3.68Å; Q1278-F1329 HydrophobicContact CB-CD2 4.08Å; Q1278-F1329 HydrophobicContact CB-CE1 3.74Å; Q1278-F1329 HydrophobicContact CB-CE2 4.14Å; Q1278-F1329 HydrophobicContact CB-CG 3.87Å; Q1278-F1329 HydrophobicContact CB-CZ 3.97Å; Q1278-F1329 HydrophobicContact CG-CB 4Å; Q1278-F1329 HydrophobicContact CG-CD1 3.59Å; Q1278-F1329 HydrophobicContact CG-CD2 4.42Å; Q1278-F1329 HydrophobicContact CG-CE1 4.14Å; Q1278-F1329 HydrophobicContact CG-CG 3.75Å; I1279-F1329 HydrophobicContact CD1-CE2 3.71Å; I1279-F1329 HydrophobicContact CD1-CZ 3.92Å; I1279-F1329 HydrophobicContact CG1-CE2 4.06Å; I1279-F1329 HydrophobicContact CG1-CZ 4.11Å; I1321-F1329 HydrophobicContact CG2-CE2 4.02Å; E1325-F1329 HydrophobicContact CB-CE1 4.46Å; E1325-F1329 HydrophobicContact CB-CE2 4.07Å; E1325-F1329 HydrophobicContact CB-CZ 3.9Å; E1325-F1329 WeakPolarHBondContact O-CD1 3.49Å; E1325-F1329 WeakPolarHBondContact O-CD2 2.98Å; E1325-F1329 WeakPolarHBondContact O-CG 3.31Å; E1325-F1329 PolarHBondContact O-N 2.79Å; L1326-F1329 PolarHBondContact O-N 3.3Å; F1327-F1329 VanDerWaalsContact C-N 3.31Å; F1327-F1329 PolarHBondContact O-N 3.34Å; F1329-K1333 PolarHBondContact O-N 2.78Å |
| 1330 | L | 92 | Very high | 90.4 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -79.5 | -44.3 | -177.9 | -61.5 | 177.3 | 0 | 0 | 0 | 112.6 | I1251 L1271 V1275 V1310 L1326 F1327 K1333 L1334 I1337 I1354 | I1251-L1330 HydrophobicContact CD1-CD1 4.11Å; L1271-L1330 HydrophobicContact CD2-CD2 3.75Å; V1275-L1330 HydrophobicContact CG2-CD2 3.94Å; V1310-L1330 HydrophobicContact CG2-CD1 4.38Å; L1326-L1330 HydrophobicContact CD1-CD1 3.83Å; L1326-L1330 HydrophobicContact CD1-CG 4.09Å; L1326-L1330 HydrophobicContact CG-CD1 4.09Å; L1326-L1330 WeakPolarHBondContact O-CG 3.32Å; L1326-L1330 PolarHBondContact O-N 3.46Å; L1326-L1330 VanDerWaalsContact O-N 3.1Å; F1327-L1330 PolarHBondContact O-N 3.29Å; L1330-K1333 CarbonylContact O-C 3.44Å; L1330-K1333 PolarHBondContact O-N 2.76Å; L1330-L1334 WeakPolarHBondContact O-CA 3.06Å; L1330-L1334 PolarHBondContact O-N 2.83Å; L1330-I1337 HydrophobicContact CB-CD1 4.33Å; L1330-I1337 HydrophobicContact CD2-CD1 3.94Å; L1330-I1337 WeakPolarHBondContact O-CD1 3.44Å; L1330-I1354 HydrophobicContact CB-CD1 3.42Å; L1330-I1354 VanDerWaalsContact CB-CD1 3.42Å; L1330-I1354 HydrophobicContact CD1-CD1 4.43Å |
| 1331 | D | 90.6 | Very high | 90.6 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 38% | 0.38 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 177.9 | -167.2 | 57.6 | 0 | 0 | 0 | 111 | F1327 K1333 L1334 | F1327-D1331 HydrophobicContact CD1-CB 4.36Å; F1327-D1331 HydrophobicContact CE1-CB 3.96Å; F1327-D1331 HydrophobicContact CE2-CB 4.18Å; F1327-D1331 HydrophobicContact CZ-CB 3.86Å; F1327-D1331 WeakPolarHBondContact O-CB 3.42Å; F1327-D1331 PolarHBondContact O-N 3.04Å; D1331-K1333 PolarHBondContact O-N 3.08Å; D1331-L1334 VanDerWaalsContact O-CB 3.24Å; D1331-L1334 WeakPolarHBondContact O-CB 3.17Å; D1331-L1334 PolarHBondContact O-N 2.67Å |
| 1332 | G | 88.5 | Confident | 90.5 | Very high | 62 Ų | 62 | 56.6 Ų | 56.6 | 64% | 0.639 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K1328 | K1328-G1332 WeakPolarHBondContact O-CA 3.21Å; K1328-G1332 PolarHBondContact O-N 2.75Å |
| 1333 | K | 90.1 | Very high | 90.6 | Very high | 50 Ų | 50 | 58.9 Ų | 58.9 | 22% | 0.217 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 13 | 173.5 | -73.3 | -59.3 | -155.9 | 83.8 | 0 | 113.5 | Y1274 E1277 F1329 L1330 D1331 L1335 D1336 I1337 | Y1274-K1333 HydrophobicContact CD1-CB 3.78Å; Y1274-K1333 HydrophobicContact CD1-CD 4.43Å; Y1274-K1333 HydrophobicContact CD1-CG 3.88Å; Y1274-K1333 HydrophobicContact CE1-CB 4.19Å; Y1274-K1333 HydrophobicContact CE1-CD 4.46Å; Y1274-K1333 HydrophobicContact CE1-CG 4.35Å; Y1274-K1333 HydrophobicContact CG-CB 4.49Å; E1277-K1333 IonicContact OE1-NZ 3.14Å; E1277-K1333 WeakPolarHBondContact OE2-CE 3.34Å; E1277-K1333 IonicContact OE2-NZ 2.71Å; E1277-K1333 PolarHBondContact OE2-NZ 3.14Å; F1329-K1333 PolarHBondContact O-N 2.78Å; L1330-K1333 CarbonylContact O-C 3.44Å; L1330-K1333 PolarHBondContact O-N 2.76Å; D1331-K1333 PolarHBondContact O-N 3.08Å; K1333-L1335 PolarHBondContact O-N 3.32Å; K1333-L1335 VanDerWaalsContact O-N 3.08Å; K1333-D1336 PolarHBondContact O-N 2.95Å; K1333-I1337 HydrophobicContact CB-CD1 4.01Å; K1333-I1337 HydrophobicContact CB-CG1 4.26Å; K1333-I1337 WeakPolarHBondContact O-CG1 3.45Å; K1333-I1337 PolarHBondContact O-N 3.28Å |
| 1334 | L | 89.9 | Confident | 90.7 | Very high | 34 Ų | 34 | 59.8 Ų | 59.8 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.2 | -33.2 | -172 | -174.9 | 62.5 | 0 | 0 | 0 | 113.7 | L1330 D1331 N1338 I1351 I1354 | L1330-L1334 WeakPolarHBondContact O-CA 3.06Å; L1330-L1334 PolarHBondContact O-N 2.83Å; D1331-L1334 VanDerWaalsContact O-CB 3.24Å; D1331-L1334 WeakPolarHBondContact O-CB 3.17Å; D1331-L1334 PolarHBondContact O-N 2.67Å; L1334-N1338 WeakPolarHBondContact O-CB 3.13Å; L1334-N1338 PolarHBondContact O-N 3.03Å; L1334-N1338 PolarHBondContact O-ND2 3.4Å; L1334-I1351 HydrophobicContact CD1-CB 3.81Å; L1334-I1351 HydrophobicContact CD1-CD1 4.06Å; L1334-I1351 HydrophobicContact CD1-CG2 3.63Å; L1334-I1354 HydrophobicContact CD1-CD1 4.47Å |
| 1335 | L | 88.5 | Confident | 90.7 | Very high | 141 Ų | 141 | 56.9 Ų | 56.9 | 74% | 0.738 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -71.4 | -27.6 | 176.8 | -72.8 | 174.1 | 0 | 0 | 0 | 113.8 | K1333 K1339 | K1333-L1335 PolarHBondContact O-N 3.32Å; K1333-L1335 VanDerWaalsContact O-N 3.08Å; L1335-K1339 WeakPolarHBondContact O-CE 3.35Å; L1335-K1339 WeakPolarHBondContact O-CG 3.43Å |
| 1336 | D | 91.4 | Very high | 90.4 | Very high | 53 Ų | 53 | 54.5 Ų | 54.5 | 28% | 0.283 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -90.9 | -41.7 | -179.4 | -59.9 | -41.1 | 0 | 0 | 0 | 110.7 | Y1274 K1333 N1338 K1339 D1340 | Y1274-D1336 HydrophobicContact CE1-CB 3.88Å; Y1274-D1336 WeakPolarHBondContact OH-CB 3.27Å; Y1274-D1336 PolarHBondContact OH-O 3.34Å; K1333-D1336 PolarHBondContact O-N 2.95Å; D1336-N1338 PolarHBondContact O-N 3.45Å; D1336-K1339 WeakPolarHBondContact O-CB 3.14Å; D1336-K1339 PolarHBondContact O-N 2.79Å; D1336-K1339 IonicContact OD1-NZ 3.74Å; D1336-K1339 PolarHBondContact OD1-NZ 2.72Å; D1336-D1340 PolarHBondContact O-N 3.02Å; D1336-D1340 VanDerWaalsContact O-N 3.11Å |
| 1337 | I | 91.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -52.6 | -42.6 | 169.6 | -64.2 | 163.1 | 0 | 0 | 0 | 110.7 | L1271 Y1274 L1330 K1333 K1339 D1340 F1341 I1351 | L1271-I1337 HydrophobicContact CD2-CG2 4.25Å; Y1274-I1337 HydrophobicContact CD1-CG1 4.16Å; Y1274-I1337 HydrophobicContact CD2-CB 4.42Å; Y1274-I1337 HydrophobicContact CD2-CD1 4.38Å; Y1274-I1337 HydrophobicContact CD2-CG1 3.4Å; Y1274-I1337 VanDerWaalsContact CD2-CG1 3.4Å; Y1274-I1337 HydrophobicContact CE1-CG1 4.4Å; Y1274-I1337 HydrophobicContact CE2-CB 4.35Å; Y1274-I1337 HydrophobicContact CE2-CG1 3.7Å; Y1274-I1337 HydrophobicContact CG-CD1 4.27Å; Y1274-I1337 HydrophobicContact CG-CG1 3.67Å; L1330-I1337 HydrophobicContact CB-CD1 4.33Å; L1330-I1337 HydrophobicContact CD2-CD1 3.94Å; L1330-I1337 WeakPolarHBondContact O-CD1 3.44Å; K1333-I1337 HydrophobicContact CB-CD1 4.01Å; K1333-I1337 HydrophobicContact CB-CG1 4.26Å; K1333-I1337 WeakPolarHBondContact O-CG1 3.45Å; K1333-I1337 PolarHBondContact O-N 3.28Å; I1337-K1339 VanDerWaalsContact C-N 3.34Å; I1337-K1339 PolarHBondContact O-N 2.92Å; I1337-D1340 PolarHBondContact O-N 2.89Å; I1337-F1341 HydrophobicContact CG2-CD1 3.93Å; I1337-F1341 HydrophobicContact CG2-CD2 4.44Å; I1337-F1341 HydrophobicContact CG2-CE1 3.81Å; I1337-F1341 HydrophobicContact CG2-CE2 4.34Å; I1337-F1341 HydrophobicContact CG2-CG 4.28Å; I1337-F1341 HydrophobicContact CG2-CZ 4.04Å; I1337-F1341 WeakPolarHBondContact O-CB 3.42Å; I1337-F1341 WeakPolarHBondContact O-CD1 3.14Å; I1337-F1341 WeakPolarHBondContact O-CG 3.33Å; I1337-F1341 PolarHBondContact O-N 2.78Å; I1337-I1351 HydrophobicContact CG2-CD1 3.61Å |
| 1338 | N | 91.7 | Very high | 89.3 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 13% | 0.128 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.4 | -30.9 | 177.7 | -87.3 | -55.6 | 0 | 0 | 0 | 114.1 | L1334 D1336 Q1342 R1350 I1351 | L1334-N1338 WeakPolarHBondContact O-CB 3.13Å; L1334-N1338 PolarHBondContact O-N 3.03Å; L1334-N1338 PolarHBondContact O-ND2 3.4Å; D1336-N1338 PolarHBondContact O-N 3.45Å; N1338-Q1342 PolarHBondContact O-N 2.81Å; N1338-R1350 VanDerWaalsContact OD1-CA 3.28Å; N1338-R1350 WeakPolarHBondContact OD1-CA 3.48Å; N1338-R1350 VanDerWaalsContact OD1-CB 3.25Å; N1338-R1350 WeakPolarHBondContact OD1-CB 3.21Å; N1338-I1351 PolarHBondContact OD1-N 3.03Å |
| 1339 | K | 90 | Very high | 89.1 | Confident | 129 Ų | 129 | 57.7 Ų | 57.7 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -69 | -46.1 | 174.2 | -62.9 | 163.1 | -165.5 | 164.1 | 0 | 110.1 | L1335 D1336 I1337 F1341 Q1342 | L1335-K1339 WeakPolarHBondContact O-CE 3.35Å; L1335-K1339 WeakPolarHBondContact O-CG 3.43Å; D1336-K1339 WeakPolarHBondContact O-CB 3.14Å; D1336-K1339 PolarHBondContact O-N 2.79Å; D1336-K1339 IonicContact OD1-NZ 3.74Å; D1336-K1339 PolarHBondContact OD1-NZ 2.72Å; I1337-K1339 VanDerWaalsContact C-N 3.34Å; I1337-K1339 PolarHBondContact O-N 2.92Å; K1339-F1341 VanDerWaalsContact C-N 3.3Å; K1339-F1341 PolarHBondContact O-N 2.95Å; K1339-Q1342 VanDerWaalsContact O-CB 3.25Å; K1339-Q1342 WeakPolarHBondContact O-CB 3.2Å; K1339-Q1342 PolarHBondContact O-N 3.05Å; K1339-Q1342 VanDerWaalsContact O-N 3.17Å |
| 1340 | D | 91.9 | Very high | 89.1 | Confident | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.3 | -28.6 | -179.4 | -68.4 | -10.2 | 0 | 0 | 0 | 112.3 | I1270 R1273 Y1274 D1336 I1337 P1343 Y1344 | I1270-D1340 HydrophobicContact CD1-CB 4.27Å; I1270-D1340 WeakPolarHBondContact CD1-O 2.8Å; I1270-D1340 HydrophobicContact CG1-CB 4.47Å; I1270-D1340 HydrophobicContact CG2-CB 3.68Å; R1273-D1340 IonicContact CZ-OD2 3.36Å; R1273-D1340 VanDerWaalsContact NH2-CG 3.34Å; R1273-D1340 IonicContact NH2-OD2 3.11Å; R1273-D1340 PolarHBondContact NH2-OD2 3.29Å; Y1274-D1340 HydrophobicContact CE2-CB 4.45Å; Y1274-D1340 WeakPolarHBondContact CE2-OD2 3.25Å; Y1274-D1340 VanDerWaalsContact CZ-OD2 3.27Å; Y1274-D1340 PolarHBondContact OH-OD2 3.4Å; D1336-D1340 PolarHBondContact O-N 3.02Å; D1336-D1340 VanDerWaalsContact O-N 3.11Å; I1337-D1340 PolarHBondContact O-N 2.89Å; D1340-P1343 WeakPolarHBondContact O-CD 3.37Å; D1340-Y1344 WeakPolarHBondContact O-CD2 3.04Å; D1340-Y1344 WeakPolarHBondContact O-CE2 3.35Å |
| 1341 | F | 92.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -76.4 | -22.2 | 173 | -84.2 | 27.7 | 0 | 0 | 0 | 113.1 | L1267 I1270 L1271 I1337 K1339 P1343 Y1344 Y1345 I1351 | L1267-F1341 HydrophobicContact CB-CE1 4.47Å; L1267-F1341 HydrophobicContact CB-CZ 4.27Å; L1267-F1341 HydrophobicContact CD2-CB 4.47Å; L1267-F1341 HydrophobicContact CD2-CD1 3.75Å; L1267-F1341 HydrophobicContact CD2-CD2 3.85Å; L1267-F1341 HydrophobicContact CD2-CE1 3.79Å; L1267-F1341 HydrophobicContact CD2-CE2 3.89Å; L1267-F1341 HydrophobicContact CD2-CG 3.77Å; L1267-F1341 HydrophobicContact CD2-CZ 3.85Å; I1270-F1341 HydrophobicContact CB-CD1 4.34Å; I1270-F1341 HydrophobicContact CB-CE1 3.95Å; I1270-F1341 HydrophobicContact CD1-CD1 4.08Å; I1270-F1341 HydrophobicContact CD1-CE1 4.36Å; I1270-F1341 HydrophobicContact CG2-CD1 3.87Å; I1270-F1341 HydrophobicContact CG2-CE1 3.71Å; L1271-F1341 HydrophobicContact CD1-CZ 4.13Å; L1271-F1341 HydrophobicContact CD2-CE1 4.35Å; L1271-F1341 HydrophobicContact CD2-CZ 3.93Å; L1271-F1341 HydrophobicContact CG-CE1 4.22Å; L1271-F1341 HydrophobicContact CG-CZ 3.85Å; I1337-F1341 HydrophobicContact CG2-CD1 3.93Å; I1337-F1341 HydrophobicContact CG2-CD2 4.44Å; I1337-F1341 HydrophobicContact CG2-CE1 3.81Å; I1337-F1341 HydrophobicContact CG2-CE2 4.34Å; I1337-F1341 HydrophobicContact CG2-CG 4.28Å; I1337-F1341 HydrophobicContact CG2-CZ 4.04Å; I1337-F1341 WeakPolarHBondContact O-CB 3.42Å; I1337-F1341 WeakPolarHBondContact O-CD1 3.14Å; I1337-F1341 WeakPolarHBondContact O-CG 3.33Å; I1337-F1341 PolarHBondContact O-N 2.78Å; K1339-F1341 VanDerWaalsContact C-N 3.3Å; K1339-F1341 PolarHBondContact O-N 2.95Å; F1341-P1343 VanDerWaalsContact C-CD 3.45Å; F1341-Y1344 PolarHBondContact O-N 2.72Å; F1341-Y1345 HydrophobicContact CB-CD2 4.32Å; F1341-Y1345 HydrophobicContact CB-CG 4.42Å; F1341-Y1345 HydrophobicContact CD2-CD2 4.17Å; F1341-Y1345 AromaticContact CD2-CE1 4Å; F1341-Y1345 HydrophobicContact CD2-CE1 4Å; F1341-Y1345 AromaticContact CD2-CE2 3.62Å; F1341-Y1345 HydrophobicContact CD2-CE2 3.62Å; F1341-Y1345 AromaticContact CD2-CZ 3.53Å; F1341-Y1345 HydrophobicContact CE2-CE1 4.4Å; F1341-Y1345 HydrophobicContact CE2-CE2 4.3Å; F1341-Y1345 AromaticContact CE2-CZ 3.86Å; F1341-Y1345 PolarHBondContact O-N 2.91Å; F1341-I1351 HydrophobicContact CD2-CD1 4Å; F1341-I1351 HydrophobicContact CD2-CG1 4.07Å; F1341-I1351 HydrophobicContact CE2-CD1 3.81Å; F1341-I1351 HydrophobicContact CE2-CG1 4.14Å |
| 1342 | Q | 88.8 | Confident | 89.2 | Confident | 80 Ų | 80 | 63.2 Ų | 63.2 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -54.3 | -40.9 | -173.7 | -157.1 | 75.7 | 78.8 | 0 | 0 | 114.4 | N1338 K1339 Y1344 G1346 G1349 | N1338-Q1342 PolarHBondContact O-N 2.81Å; K1339-Q1342 VanDerWaalsContact O-CB 3.25Å; K1339-Q1342 WeakPolarHBondContact O-CB 3.2Å; K1339-Q1342 PolarHBondContact O-N 3.05Å; K1339-Q1342 VanDerWaalsContact O-N 3.17Å; Q1342-Y1344 PolarHBondContact O-N 3.46Å; Q1342-G1346 PolarHBondContact NE2-O 2.87Å; Q1342-G1346 PolarHBondContact O-N 2.7Å; Q1342-G1349 PolarHBondContact NE2-O 2.86Å |
| 1343 | P | 89.8 | Confident | 89.2 | Confident | 105 Ų | 105 | 64 Ų | 64 | 68% | 0.682 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.1 | -23.5 | 176.6 | -21.6 | 34.7 | 0 | 0 | 0 | 114.3 | D1340 F1341 | D1340-P1343 WeakPolarHBondContact O-CD 3.37Å; F1341-P1343 VanDerWaalsContact C-CD 3.45Å |
| 1344 | Y | 90.8 | Very high | 89.3 | Confident | 69 Ų | 69 | 62.4 Ų | 62.4 | 27% | 0.271 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -99.2 | -31.6 | -175.6 | -54.7 | -85.3 | 0 | 0 | 0 | 112.2 | K1263 D1266 L1267 I1270 D1340 F1341 Q1342 | K1263-Y1344 HydrophobicContact CD-CD1 4.16Å; K1263-Y1344 HydrophobicContact CG-CD1 4.36Å; D1266-Y1344 HydrophobicContact CB-CD1 3.74Å; D1266-Y1344 HydrophobicContact CB-CE1 3.37Å; D1266-Y1344 VanDerWaalsContact CG-CE1 3.46Å; D1266-Y1344 WeakPolarHBondContact OD2-CD1 3.4Å; D1266-Y1344 WeakPolarHBondContact OD2-CE1 3.05Å; L1267-Y1344 HydrophobicContact CD2-CG 4.32Å; I1270-Y1344 HydrophobicContact CD1-CD2 3.96Å; I1270-Y1344 HydrophobicContact CD1-CE2 3.6Å; D1340-Y1344 WeakPolarHBondContact O-CD2 3.04Å; D1340-Y1344 WeakPolarHBondContact O-CE2 3.35Å; F1341-Y1344 PolarHBondContact O-N 2.72Å; Q1342-Y1344 PolarHBondContact O-N 3.46Å |
| 1345 | Y | 90.1 | Very high | 89.2 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 4% | 0.039 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -89.2 | -15.2 | 177.9 | -81.6 | 13.6 | 0 | 0 | 0 | 113.6 | S1253 V1255 V1260 L1267 F1341 I1351 | S1253-Y1345 WeakPolarHBondContact CB-OH 3.29Å; S1253-Y1345 WeakPolarHBondContact OG-CE2 3.32Å; S1253-Y1345 PolarHBondContact OG-OH 2.8Å; V1255-Y1345 HydrophobicContact CG1-CD2 4.2Å; V1255-Y1345 HydrophobicContact CG1-CG 4.08Å; V1255-Y1345 HydrophobicContact CG2-CD1 3.96Å; V1255-Y1345 HydrophobicContact CG2-CD2 4.04Å; V1255-Y1345 HydrophobicContact CG2-CE1 3.86Å; V1255-Y1345 HydrophobicContact CG2-CE2 3.94Å; V1255-Y1345 HydrophobicContact CG2-CG 4.04Å; V1260-Y1345 HydrophobicContact CG2-CE1 4.07Å; L1267-Y1345 HydrophobicContact CD1-CD1 4.47Å; L1267-Y1345 HydrophobicContact CD1-CE1 3.76Å; L1267-Y1345 HydrophobicContact CD2-CD1 4.21Å; L1267-Y1345 HydrophobicContact CD2-CE1 3.87Å; F1341-Y1345 HydrophobicContact CB-CD2 4.32Å; F1341-Y1345 HydrophobicContact CB-CG 4.42Å; F1341-Y1345 HydrophobicContact CD2-CD2 4.17Å; F1341-Y1345 AromaticContact CD2-CE1 4Å; F1341-Y1345 HydrophobicContact CD2-CE1 4Å; F1341-Y1345 AromaticContact CD2-CE2 3.62Å; F1341-Y1345 HydrophobicContact CD2-CE2 3.62Å; F1341-Y1345 AromaticContact CD2-CZ 3.53Å; F1341-Y1345 HydrophobicContact CE2-CE1 4.4Å; F1341-Y1345 HydrophobicContact CE2-CE2 4.3Å; F1341-Y1345 AromaticContact CE2-CZ 3.86Å; F1341-Y1345 PolarHBondContact O-N 2.91Å; Y1345-I1351 HydrophobicContact CE2-CG1 4.44Å |
| 1346 | G | 83.2 | Confident | 89.1 | Confident | 36 Ų | 36 | 57.4 Ų | 57.4 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | trans | 77.7 | -178.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1342 G1348 G1349 | Q1342-G1346 PolarHBondContact NE2-O 2.87Å; Q1342-G1346 PolarHBondContact O-N 2.7Å; G1346-G1348 PolarHBondContact O-N 3.29Å; G1346-G1349 PolarHBondContact O-N 2.85Å | ||
| 1347 | E | 80.8 | Confident | 88.7 | Confident | 205 Ų | 205 | 55.1 Ų | 55.1 | 96% | 0.958 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 128.4 | -176.8 | -65.3 | -168.4 | 162 | 0 | 0 | 112.5 | G1349 | E1347-G1349 PolarHBondContact O-N 3.36Å; E1347-G1349 VanDerWaalsContact O-N 3.16Å |
| 1348 | G | 80.3 | Confident | 87.9 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 59% | 0.588 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | -4.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | N1254 G1346 | N1254-G1348 PolarHBondContact ND2-O 2.96Å; G1346-G1348 PolarHBondContact O-N 3.29Å |
| 1349 | G | 87.3 | Confident | 86.8 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | trans | -69.3 | 134.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1254 Q1342 G1346 E1347 | N1254-G1349 VanDerWaalsContact OD1-CA 3.29Å; N1254-G1349 WeakPolarHBondContact OD1-CA 3.1Å; Q1342-G1349 PolarHBondContact NE2-O 2.86Å; G1346-G1349 PolarHBondContact O-N 2.85Å; E1347-G1349 PolarHBondContact O-N 3.36Å; E1347-G1349 VanDerWaalsContact O-N 3.16Å | ||
| 1350 | R | 91.7 | Very high | 85.9 | Confident | 144 Ų | 144 | 53.2 Ų | 53.2 | 54% | 0.543 | 29% | 0.288 | S | S | . | . | trans | -165.4 | 158.6 | -178.6 | 58.3 | 177.1 | 177.8 | 177.8 | 0.2 | 113 | N1254 N1338 | N1254-R1350 PolarHBondContact N-O 2.7Å; N1254-R1350 PolarHBondContact OD1-N 2.81Å; N1254-R1350 PolarHBondContact OD1-O 3.33Å; N1338-R1350 VanDerWaalsContact OD1-CA 3.28Å; N1338-R1350 WeakPolarHBondContact OD1-CA 3.48Å; N1338-R1350 VanDerWaalsContact OD1-CB 3.25Å; N1338-R1350 WeakPolarHBondContact OD1-CB 3.21Å | ||
| 1351 | I | 93 | Very high | 84.5 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 134 | 160.5 | -55.1 | 169.7 | 0 | 0 | 0 | 108.5 | I1251 V1252 L1334 I1337 N1338 F1341 Y1345 I1354 | I1251-I1351 HydrophobicContact CG2-CB 4.31Å; I1251-I1351 HydrophobicContact CG2-CD1 3.72Å; I1251-I1351 HydrophobicContact CG2-CG1 3.71Å; I1251-I1351 HydrophobicContact CG2-CG2 3.65Å; V1252-I1351 CarbonylContact O-C 3.59Å; L1334-I1351 HydrophobicContact CD1-CB 3.81Å; L1334-I1351 HydrophobicContact CD1-CD1 4.06Å; L1334-I1351 HydrophobicContact CD1-CG2 3.63Å; I1337-I1351 HydrophobicContact CG2-CD1 3.61Å; N1338-I1351 PolarHBondContact OD1-N 3.03Å; F1341-I1351 HydrophobicContact CD2-CD1 4Å; F1341-I1351 HydrophobicContact CD2-CG1 4.07Å; F1341-I1351 HydrophobicContact CE2-CD1 3.81Å; F1341-I1351 HydrophobicContact CE2-CG1 4.14Å; Y1345-I1351 HydrophobicContact CE2-CG1 4.44Å; I1351-I1354 HydrophobicContact CG2-CG1 4.38Å |
| 1352 | L | 90.5 | Very high | 82.8 | Confident | 68 Ų | 68 | 55.5 Ų | 55.5 | 36% | 0.356 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -44.8 | 179.3 | -65.9 | 176.7 | 0 | 0 | 0 | 112.6 | V1252 N1254 K1305 | V1252-L1352 PolarHBondContact O-N 2.93Å; N1254-L1352 HydrophobicContact CB-CD1 3.95Å; N1254-L1352 HydrophobicContact CB-CD2 4.04Å; N1254-L1352 HydrophobicContact CB-CG 3.99Å; K1305-L1352 HydrophobicContact CD-CD1 4.22Å |
| 1353 | E | 90.1 | Very high | 81.2 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 160.2 | -177.1 | 61.1 | -175.6 | 167.8 | 0 | 0 | 109.5 | V1252 R1292 | V1252-E1353 HydrophobicContact CB-CG 3.59Å; V1252-E1353 WeakPolarHBondContact CB-O 3.37Å; V1252-E1353 HydrophobicContact CG1-CG 4.12Å; V1252-E1353 HydrophobicContact CG2-CG 3.57Å; V1252-E1353 PolarHBondContact N-O 2.78Å; R1292-E1353 IonicContact CZ-OE1 2.95Å; R1292-E1353 IonicContact NE-OE1 3.53Å; R1292-E1353 IonicContact NH2-OE1 2.71Å; R1292-E1353 PolarHBondContact NH2-OE1 2.83Å |
| 1354 | I | 90.9 | Very high | 79.4 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.7 | 166.4 | -55.3 | -178.8 | 0 | 0 | 0 | 107.2 | Q1249 V1250 I1251 F1327 L1330 L1334 I1351 | Q1249-I1354 HydrophobicContact CB-CG2 4.14Å; V1250-I1354 CarbonylContact O-C 3.49Å; V1250-I1354 WeakPolarHBondContact O-CA 3.46Å; I1251-I1354 HydrophobicContact CG1-CG1 4.48Å; F1327-I1354 HydrophobicContact CD2-CB 4.17Å; F1327-I1354 HydrophobicContact CD2-CG2 3.94Å; F1327-I1354 HydrophobicContact CE2-CB 4.08Å; F1327-I1354 HydrophobicContact CE2-CG2 4.35Å; F1327-I1354 WeakPolarHBondContact CE2-O 3.5Å; L1330-I1354 HydrophobicContact CB-CD1 3.42Å; L1330-I1354 VanDerWaalsContact CB-CD1 3.42Å; L1330-I1354 HydrophobicContact CD1-CD1 4.43Å; L1334-I1354 HydrophobicContact CD1-CD1 4.47Å; I1351-I1354 HydrophobicContact CG2-CG1 4.38Å |
| 1355 | R | 88.4 | Confident | 77.4 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 9% | 0.087 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 148.1 | -172.4 | 69.9 | -176 | -170.3 | 94.9 | -9.3 | 112.5 | Q1249 V1250 V1252 R1293 Y1298 D1307 | Q1249-R1355 PolarHBondContact OE1-O 3.41Å; Q1249-R1355 VanDerWaalsContact OE1-O 3.12Å; V1250-R1355 WeakPolarHBondContact CA-O 3.35Å; V1250-R1355 HydrophobicContact CB-CG 3.87Å; V1250-R1355 WeakPolarHBondContact CB-O 3.16Å; V1250-R1355 HydrophobicContact CG1-CG 4.37Å; V1250-R1355 PolarHBondContact N-O 2.88Å; V1250-R1355 PolarHBondContact O-N 2.69Å; V1252-R1355 HydrophobicContact CG2-CG 3.83Å; R1293-R1355 PolarHBondContact O-NH2 3.39Å; Y1298-R1355 VanDerWaalsContact CZ-NH1 3.28Å; D1307-R1355 IonicContact OD1-NE 2.74Å; D1307-R1355 IonicContact OD1-NH2 2.79Å; D1307-R1355 IonicContact OD2-CZ 3.35Å; D1307-R1355 IonicContact OD2-NE 3.3Å; D1307-R1355 IonicContact OD2-NH2 2.71Å; D1307-R1355 PolarHBondContact OD2-NH2 3.4Å |
| 1356 | T | 86.3 | Confident | 75.3 | Confident | 46 Ų | 46 | 70.9 Ų | 70.9 | 28% | 0.282 | 36% | 0.363 | S | S | . | . | trans | -67.6 | 144.8 | 172.4 | 54.3 | 0 | 0 | 0 | 0 | 111.3 | T1361 | T1356-T1361 WeakPolarHBondContact OG1-CG2 3.39Š| ||
| 1357 | P | 83.3 | Confident | 73.7 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | trans | -55.5 | 151 | 179.4 | -26.3 | 33.7 | 0 | 0 | 0 | 114.7 | Q1245 M1248 V1250 A1359 V1360 T1361 | Q1245-P1357 HydrophobicContact CB-CB 4.27Å; M1248-P1357 HydrophobicContact CB-CG 4.01Å; M1248-P1357 WeakPolarHBondContact O-CD 3.23Å; V1250-P1357 HydrophobicContact CG2-CB 4.32Å; V1250-P1357 HydrophobicContact CG2-CG 4.03Å; P1357-A1359 PolarHBondContact O-N 2.75Å; P1357-V1360 HydrophobicContact CB-CG2 4.29Å; P1357-V1360 WeakPolarHBondContact O-CB 3.42Å; P1357-V1360 PolarHBondContact O-N 3.29Å; P1357-V1360 VanDerWaalsContact O-N 3.09Å; P1357-T1361 PolarHBondContact O-N 3.38Å | ||
| 1358 | E | 75.4 | Confident | 72.4 | Confident | 63 Ų | 63 | 66.9 Ų | 66.9 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.6 | -42.2 | -169.4 | 59.3 | -169 | -158.3 | 0 | 0 | 113.9 | R1293 Y1298 V1360 T1361 S1362 | R1293-E1358 VanDerWaalsContact CD-OE2 3.31Å; R1293-E1358 WeakPolarHBondContact CD-OE2 3.27Å; R1293-E1358 IonicContact NH1-OE1 2.67Å; R1293-E1358 PolarHBondContact NH1-OE1 3.2Å; R1293-E1358 IonicContact NH1-OE2 3.1Å; Y1298-E1358 WeakPolarHBondContact CB-OE2 3.36Å; Y1298-E1358 HydrophobicContact CD2-CB 3.63Å; Y1298-E1358 HydrophobicContact CE2-CB 4.23Å; Y1298-E1358 HydrophobicContact CG-CB 4.23Å; E1358-V1360 VanDerWaalsContact C-N 3.29Å; E1358-V1360 PolarHBondContact O-N 2.73Å; E1358-T1361 PolarHBondContact O-N 3.05Å; E1358-T1361 VanDerWaalsContact O-N 3.13Å; E1358-T1361 PolarHBondContact O-OG1 3.21Å; E1358-S1362 PolarHBondContact O-N 2.72Å |
| 1359 | A | 69 | Low | 70.9 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 28% | 0.281 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.7 | -31.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1245 P1357 T1361 S1362 I1363 | Q1245-A1359 VanDerWaalsContact OE1-CB 3.23Å; P1357-A1359 PolarHBondContact O-N 2.75Å; A1359-T1361 VanDerWaalsContact C-N 3.33Å; A1359-S1362 PolarHBondContact O-N 2.71Å; A1359-S1362 PolarHBondContact O-OG 2.86Å; A1359-S1362 VanDerWaalsContact O-OG 3.13Å; A1359-I1363 WeakPolarHBondContact O-CB 3.44Å; A1359-I1363 WeakPolarHBondContact O-CD1 3.23Å; A1359-I1363 VanDerWaalsContact O-CG1 3.24Å; A1359-I1363 WeakPolarHBondContact O-CG1 3.45Å; A1359-I1363 PolarHBondContact O-N 2.83Å |
| 1360 | V | 69.5 | Low | 69 | Low | 17 Ų | 17 | 70.5 Ų | 70.5 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 175.7 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | Q1245 L1246 P1357 E1358 K1364 | Q1245-V1360 VanDerWaalsContact O-CG2 3.23Å; Q1245-V1360 WeakPolarHBondContact O-CG2 3.42Å; L1246-V1360 HydrophobicContact CD2-CG1 4.48Å; L1246-V1360 HydrophobicContact CD2-CG2 4.24Å; P1357-V1360 HydrophobicContact CB-CG2 4.29Å; P1357-V1360 WeakPolarHBondContact O-CB 3.42Å; P1357-V1360 PolarHBondContact O-N 3.29Å; P1357-V1360 VanDerWaalsContact O-N 3.09Å; E1358-V1360 VanDerWaalsContact C-N 3.29Å; E1358-V1360 PolarHBondContact O-N 2.73Å; V1360-K1364 PolarHBondContact O-N 2.91Å; V1360-K1364 VanDerWaalsContact O-N 3.15Å |
| 1361 | T | 63.6 | Low | 67.1 | Low | 35 Ų | 35 | 65.7 Ų | 65.7 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.1 | -35.2 | 178.5 | 74.6 | 0 | 0 | 0 | 0 | 112.5 | T1356 P1357 E1358 A1359 K1364 K1365 | T1356-T1361 WeakPolarHBondContact OG1-CG2 3.39Å; P1357-T1361 PolarHBondContact O-N 3.38Å; E1358-T1361 PolarHBondContact O-N 3.05Å; E1358-T1361 VanDerWaalsContact O-N 3.13Å; E1358-T1361 PolarHBondContact O-OG1 3.21Å; A1359-T1361 VanDerWaalsContact C-N 3.33Å; T1361-K1364 PolarHBondContact O-N 2.93Å; T1361-K1365 WeakPolarHBondContact O-CB 3.46Å; T1361-K1365 PolarHBondContact O-N 3.5Å |
| 1362 | S | 56.5 | Low | 65.3 | Low | 61 Ų | 61 | 75 Ų | 75 | 43% | 0.427 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -73.3 | -35.3 | 179 | 76.7 | 0 | 0 | 0 | 0 | 112.1 | E1358 A1359 R1366 | E1358-S1362 PolarHBondContact O-N 2.72Å; A1359-S1362 PolarHBondContact O-N 2.71Å; A1359-S1362 PolarHBondContact O-OG 2.86Å; A1359-S1362 VanDerWaalsContact O-OG 3.13Å; S1362-R1366 VanDerWaalsContact O-CB 3.29Å; S1362-R1366 WeakPolarHBondContact O-CB 3.29Å; S1362-R1366 PolarHBondContact O-N 3.11Å |
| 1363 | I | 55.5 | Low | 63.6 | Low | 116 Ų | 116 | 75.5 Ų | 75.5 | 60% | 0.595 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.5 | -44.4 | 168.9 | -69.7 | 165.4 | 0 | 0 | 0 | 110.4 | A1359 R1366 G1367 | A1359-I1363 WeakPolarHBondContact O-CB 3.44Å; A1359-I1363 WeakPolarHBondContact O-CD1 3.23Å; A1359-I1363 VanDerWaalsContact O-CG1 3.24Å; A1359-I1363 WeakPolarHBondContact O-CG1 3.45Å; A1359-I1363 PolarHBondContact O-N 2.83Å; I1363-R1366 PolarHBondContact O-N 2.85Å; I1363-G1367 PolarHBondContact O-N 2.97Å |
| 1364 | K | 50.4 | Low | 62.2 | Low | 131 Ų | 131 | 76.5 Ų | 76.5 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.3 | -45.5 | 179.4 | -156.5 | -175.2 | -172.9 | -117.4 | 0 | 112.6 | V1360 T1361 R1366 G1367 E1368 | V1360-K1364 PolarHBondContact O-N 2.91Å; V1360-K1364 VanDerWaalsContact O-N 3.15Å; T1361-K1364 PolarHBondContact O-N 2.93Å; K1364-R1366 VanDerWaalsContact C-N 3.32Å; K1364-R1366 PolarHBondContact O-N 2.59Å; K1364-G1367 PolarHBondContact O-N 2.95Å; K1364-G1367 VanDerWaalsContact O-N 3.17Å; K1364-E1368 WeakPolarHBondContact CE-OE1 3.23Å; K1364-E1368 IonicContact NZ-OE1 3.41Å; K1364-E1368 PolarHBondContact NZ-OE1 2.82Å; K1364-E1368 PolarHBondContact O-N 2.61Å |
| 1365 | K | 49.5 | Very low | 60.9 | Low | 156 Ų | 156 | 77.6 Ų | 77.6 | 68% | 0.678 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.5 | -32.1 | 174.9 | -78.3 | -175 | 174 | 179.5 | 0 | 112.7 | T1361 S1369 | T1361-K1365 WeakPolarHBondContact O-CB 3.46Å; T1361-K1365 PolarHBondContact O-N 3.5Å; K1365-S1369 WeakPolarHBondContact O-CB 3.37Å; K1365-S1369 PolarHBondContact O-N 2.8Å; K1365-S1369 VanDerWaalsContact O-N 3.13Å; K1365-S1369 PolarHBondContact O-OG 2.81Å |
| 1366 | R | 46.2 | Very low | 60 | Low | 184 Ų | 184 | 79.3 Ų | 79.3 | 69% | 0.694 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.5 | -46.6 | 167.9 | -86.7 | -173.2 | 170.7 | 173.8 | -0.6 | 111.2 | S1362 I1363 K1364 E1368 S1369 L1370 | S1362-R1366 VanDerWaalsContact O-CB 3.29Å; S1362-R1366 WeakPolarHBondContact O-CB 3.29Å; S1362-R1366 PolarHBondContact O-N 3.11Å; I1363-R1366 PolarHBondContact O-N 2.85Å; K1364-R1366 VanDerWaalsContact C-N 3.32Å; K1364-R1366 PolarHBondContact O-N 2.59Å; R1366-E1368 PolarHBondContact O-N 2.83Å; R1366-S1369 PolarHBondContact O-N 2.8Å; R1366-S1369 PolarHBondContact O-OG 2.78Å; R1366-L1370 HydrophobicContact CB-CD1 4.07Å; R1366-L1370 HydrophobicContact CG-CD1 4.26Å; R1366-L1370 VanDerWaalsContact O-CB 3.26Å; R1366-L1370 WeakPolarHBondContact O-CB 3.48Å; R1366-L1370 WeakPolarHBondContact O-CD1 3.49Å; R1366-L1370 PolarHBondContact O-N 2.92Å |
| 1367 | G | 49.5 | Very low | 59.3 | Low | 44 Ų | 44 | 82.2 Ų | 82.2 | 45% | 0.454 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.9 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1363 K1364 S1369 G1371 | I1363-G1367 PolarHBondContact O-N 2.97Å; K1364-G1367 PolarHBondContact O-N 2.95Å; K1364-G1367 VanDerWaalsContact O-N 3.17Å; G1367-S1369 PolarHBondContact O-N 2.92Å; G1367-G1371 PolarHBondContact O-N 2.76Å |
| 1368 | E | 52.8 | Low | 58.9 | Low | 112 Ų | 112 | 87.4 Ų | 87.4 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -73.5 | -24.2 | -179.2 | -69.5 | 169.5 | -177.3 | 0 | 0 | 113.3 | K1364 R1366 | K1364-E1368 WeakPolarHBondContact CE-OE1 3.23Å; K1364-E1368 IonicContact NZ-OE1 3.41Å; K1364-E1368 PolarHBondContact NZ-OE1 2.82Å; K1364-E1368 PolarHBondContact O-N 2.61Å; R1366-E1368 PolarHBondContact O-N 2.83Å |
| 1369 | S | 48.5 | Very low | 58.9 | Low | 71 Ų | 71 | 86.8 Ų | 86.8 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -94.2 | -30.8 | 174.4 | 56.1 | 0 | 0 | 0 | 0 | 114.3 | K1365 R1366 G1367 | K1365-S1369 WeakPolarHBondContact O-CB 3.37Å; K1365-S1369 PolarHBondContact O-N 2.8Å; K1365-S1369 VanDerWaalsContact O-N 3.13Å; K1365-S1369 PolarHBondContact O-OG 2.81Å; R1366-S1369 PolarHBondContact O-N 2.8Å; R1366-S1369 PolarHBondContact O-OG 2.78Å; G1367-S1369 PolarHBondContact O-N 2.92Å |
| 1370 | L | 49.2 | Very low | 59.4 | Low | 67 Ų | 67 | 89.7 Ų | 89.7 | 35% | 0.351 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.4 | -30.3 | 168.1 | -88 | 82.9 | 0 | 0 | 0 | 111.2 | R1366 Y1372 T1373 E1374 | R1366-L1370 HydrophobicContact CB-CD1 4.07Å; R1366-L1370 HydrophobicContact CG-CD1 4.26Å; R1366-L1370 VanDerWaalsContact O-CB 3.26Å; R1366-L1370 WeakPolarHBondContact O-CB 3.48Å; R1366-L1370 WeakPolarHBondContact O-CD1 3.49Å; R1366-L1370 PolarHBondContact O-N 2.92Å; L1370-Y1372 PolarHBondContact O-N 2.92Å; L1370-T1373 WeakPolarHBondContact CA-OG1 3.06Å; L1370-T1373 CarbonylContact O-C 3.43Å; L1370-T1373 PolarHBondContact O-N 3.43Å; L1370-T1373 PolarHBondContact O-OG1 3.25Å; L1370-E1374 HydrophobicContact CB-CG 4.09Å; L1370-E1374 HydrophobicContact CD2-CG 4.1Å; L1370-E1374 HydrophobicContact CG-CG 4.49Å; L1370-E1374 WeakPolarHBondContact O-CB 3.5Å; L1370-E1374 PolarHBondContact O-N 3.38Å |
| 1371 | G | 51 | Low | 59.8 | Low | 43 Ų | 43 | 90.7 Ų | 90.7 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -50 | -35.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1367 G1375 | G1367-G1371 PolarHBondContact O-N 2.76Å; G1371-G1375 PolarHBondContact O-N 2.97Å; G1371-G1375 VanDerWaalsContact O-N 3.14Å |
| 1372 | Y | 54.6 | Low | 60.6 | Low | 203 Ų | 203 | 95.6 Ų | 95.6 | 80% | 0.796 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -81.2 | -26.4 | 174.9 | -71.7 | -82.5 | 0 | 0 | 0 | 114.4 | L1370 A1376 | L1370-Y1372 PolarHBondContact O-N 2.92Å; Y1372-A1376 WeakPolarHBondContact O-CB 3.47Å; Y1372-A1376 PolarHBondContact O-N 2.95Å |
| 1373 | T | 56 | Low | 61.7 | Low | 77 Ų | 77 | 97.5 Ų | 97.5 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -98.2 | -36.7 | -177.8 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | L1370 G1375 A1376 L1377 | L1370-T1373 WeakPolarHBondContact CA-OG1 3.06Å; L1370-T1373 CarbonylContact O-C 3.43Å; L1370-T1373 PolarHBondContact O-N 3.43Å; L1370-T1373 PolarHBondContact O-OG1 3.25Å; T1373-G1375 VanDerWaalsContact C-N 3.34Å; T1373-A1376 PolarHBondContact O-N 2.72Å; T1373-L1377 VanDerWaalsContact O-CB 3.27Å; T1373-L1377 WeakPolarHBondContact O-CB 3.47Å; T1373-L1377 VanDerWaalsContact O-CG 3.26Å; T1373-L1377 WeakPolarHBondContact O-CG 3.11Å; T1373-L1377 PolarHBondContact O-N 2.88Å |
| 1374 | E | 59.2 | Low | 62.8 | Low | 101 Ų | 101 | 96.2 Ų | 96.2 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -37.9 | 160.3 | -74.4 | -172.8 | 118.3 | 0 | 0 | 111.5 | L1370 A1376 L1377 L1378 | L1370-E1374 HydrophobicContact CB-CG 4.09Å; L1370-E1374 HydrophobicContact CD2-CG 4.1Å; L1370-E1374 HydrophobicContact CG-CG 4.49Å; L1370-E1374 WeakPolarHBondContact O-CB 3.5Å; L1370-E1374 PolarHBondContact O-N 3.38Å; E1374-A1376 VanDerWaalsContact C-N 3.34Å; E1374-A1376 PolarHBondContact O-N 3.04Å; E1374-L1377 PolarHBondContact O-N 2.85Å; E1374-L1378 VanDerWaalsContact O-CB 3.23Å; E1374-L1378 WeakPolarHBondContact O-CB 3.37Å; E1374-L1378 WeakPolarHBondContact O-CG 3.47Å; E1374-L1378 PolarHBondContact O-N 2.7Å |
| 1375 | G | 65.4 | Low | 64.2 | Low | 39 Ų | 39 | 94.3 Ų | 94.3 | 40% | 0.402 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -45.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | G1371 T1373 A1379 | G1371-G1375 PolarHBondContact O-N 2.97Å; G1371-G1375 VanDerWaalsContact O-N 3.14Å; T1373-G1375 VanDerWaalsContact C-N 3.34Å; G1375-A1379 WeakPolarHBondContact O-CB 3.4Å; G1375-A1379 PolarHBondContact O-N 2.7Å |
| 1376 | A | 69.2 | Low | 65.7 | Low | 59 Ų | 59 | 92.2 Ų | 92.2 | 49% | 0.488 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1372 T1373 E1374 A1379 L1380 | Y1372-A1376 WeakPolarHBondContact O-CB 3.47Å; Y1372-A1376 PolarHBondContact O-N 2.95Å; T1373-A1376 PolarHBondContact O-N 2.72Å; E1374-A1376 VanDerWaalsContact C-N 3.34Å; E1374-A1376 PolarHBondContact O-N 3.04Å; A1376-A1379 PolarHBondContact O-N 3.47Å; A1376-L1380 VanDerWaalsContact O-CB 3.29Å; A1376-L1380 WeakPolarHBondContact O-CB 3.18Å; A1376-L1380 PolarHBondContact O-N 3.19Å |
| 1377 | L | 70.6 | Confident | 67.4 | Low | 108 Ų | 108 | 87.7 Ų | 87.7 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73.5 | -34.3 | 179.2 | -78.2 | 165.4 | 0 | 0 | 0 | 112.6 | T1373 E1374 A1381 | T1373-L1377 VanDerWaalsContact O-CB 3.27Å; T1373-L1377 WeakPolarHBondContact O-CB 3.47Å; T1373-L1377 VanDerWaalsContact O-CG 3.26Å; T1373-L1377 WeakPolarHBondContact O-CG 3.11Å; T1373-L1377 PolarHBondContact O-N 2.88Å; E1374-L1377 PolarHBondContact O-N 2.85Å; L1377-A1381 WeakPolarHBondContact O-CB 3.34Å; L1377-A1381 PolarHBondContact O-N 3.24Å |
| 1378 | L | 75.5 | Confident | 68.8 | Low | 114 Ų | 114 | 88.1 Ų | 88.1 | 60% | 0.597 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.4 | -40.5 | 170.7 | -81.1 | 166.2 | 0 | 0 | 0 | 110.9 | E1374 A1381 F1382 | E1374-L1378 VanDerWaalsContact O-CB 3.23Å; E1374-L1378 WeakPolarHBondContact O-CB 3.37Å; E1374-L1378 WeakPolarHBondContact O-CG 3.47Å; E1374-L1378 PolarHBondContact O-N 2.7Å; L1378-A1381 PolarHBondContact O-N 3.24Å; L1378-F1382 WeakPolarHBondContact O-CB 3.4Å; L1378-F1382 PolarHBondContact O-N 2.87Å |
| 1379 | A | 74.6 | Confident | 70.1 | Confident | 51 Ų | 51 | 86.9 Ų | 86.9 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1375 A1376 F1382 I1383 | G1375-A1379 WeakPolarHBondContact O-CB 3.4Å; G1375-A1379 PolarHBondContact O-N 2.7Å; A1376-A1379 PolarHBondContact O-N 3.47Å; A1379-F1382 PolarHBondContact O-N 3.17Å; A1379-I1383 VanDerWaalsContact O-CG1 3.29Å; A1379-I1383 WeakPolarHBondContact O-CG1 3.41Å; A1379-I1383 PolarHBondContact O-N 3.07Å |
| 1380 | L | 80.7 | Confident | 71.6 | Confident | 95 Ų | 95 | 87 Ų | 87 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 175.3 | -164.9 | 88 | 0 | 0 | 0 | 111.3 | A1376 I1383 I1384 | A1376-L1380 VanDerWaalsContact O-CB 3.29Å; A1376-L1380 WeakPolarHBondContact O-CB 3.18Å; A1376-L1380 PolarHBondContact O-N 3.19Å; L1380-I1383 PolarHBondContact O-N 2.82Å; L1380-I1384 HydrophobicContact CD2-CD1 4.04Å; L1380-I1384 HydrophobicContact CG-CD1 4.01Å; L1380-I1384 WeakPolarHBondContact O-CB 3.48Å; L1380-I1384 VanDerWaalsContact O-CG1 3.24Å; L1380-I1384 WeakPolarHBondContact O-CG1 3.32Å; L1380-I1384 PolarHBondContact O-N 2.91Å |
| 1381 | A | 77.3 | Confident | 73 | Confident | 38 Ų | 38 | 86.4 Ų | 86.4 | 31% | 0.314 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1377 L1378 I1384 I1385 | L1377-A1381 WeakPolarHBondContact O-CB 3.34Å; L1377-A1381 PolarHBondContact O-N 3.24Å; L1378-A1381 PolarHBondContact O-N 3.24Å; A1381-I1384 PolarHBondContact O-N 2.81Å; A1381-I1385 VanDerWaalsContact O-CB 3.31Å; A1381-I1385 WeakPolarHBondContact O-CB 3.45Å; A1381-I1385 WeakPolarHBondContact O-CD1 3.36Å; A1381-I1385 WeakPolarHBondContact O-CG1 3.39Å; A1381-I1385 PolarHBondContact O-N 3.36Å |
| 1382 | F | 79.9 | Confident | 74.3 | Confident | 137 Ų | 137 | 89 Ų | 89 | 60% | 0.601 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 172.5 | -111.2 | -86 | 0 | 0 | 0 | 112 | L1378 A1379 I1385 L1386 | L1378-F1382 WeakPolarHBondContact O-CB 3.4Å; L1378-F1382 PolarHBondContact O-N 2.87Å; A1379-F1382 PolarHBondContact O-N 3.17Å; F1382-I1385 PolarHBondContact O-N 3.02Å; F1382-L1386 VanDerWaalsContact O-CB 3.3Å; F1382-L1386 WeakPolarHBondContact O-CB 3.42Å; F1382-L1386 VanDerWaalsContact O-CG 3.31Å; F1382-L1386 WeakPolarHBondContact O-CG 3.27Å; F1382-L1386 PolarHBondContact O-N 2.89Å |
| 1383 | I | 79.8 | Confident | 75.4 | Confident | 102 Ų | 102 | 84 Ų | 84 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 174.5 | -69.2 | 163.3 | 0 | 0 | 0 | 110.5 | A1379 L1380 L1386 C1387 | A1379-I1383 VanDerWaalsContact O-CG1 3.29Å; A1379-I1383 WeakPolarHBondContact O-CG1 3.41Å; A1379-I1383 PolarHBondContact O-N 3.07Å; L1380-I1383 PolarHBondContact O-N 2.82Å; I1383-L1386 PolarHBondContact O-N 2.84Å; I1383-C1387 WeakPolarHBondContact O-CB 3.49Å; I1383-C1387 PolarHBondContact O-N 2.85Å; I1383-C1387 PolarHBondContact O-SG 2.87Å; I1383-C1387 VanDerWaalsContact O-SG 3.37Å |
| 1384 | I | 79.3 | Confident | 76.5 | Confident | 89 Ų | 89 | 85.2 Ų | 85.2 | 46% | 0.456 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 175.8 | -71.1 | 164.2 | 0 | 0 | 0 | 110.3 | L1380 A1381 L1386 C1387 C1388 | L1380-I1384 HydrophobicContact CD2-CD1 4.04Å; L1380-I1384 HydrophobicContact CG-CD1 4.01Å; L1380-I1384 WeakPolarHBondContact O-CB 3.48Å; L1380-I1384 VanDerWaalsContact O-CG1 3.24Å; L1380-I1384 WeakPolarHBondContact O-CG1 3.32Å; L1380-I1384 PolarHBondContact O-N 2.91Å; A1381-I1384 PolarHBondContact O-N 2.81Å; I1384-L1386 PolarHBondContact O-N 3.02Å; I1384-C1387 CarbonylContact O-C 3.46Å; I1384-C1387 PolarHBondContact O-N 2.77Å; I1384-C1388 WeakPolarHBondContact O-CB 3.42Å; I1384-C1388 PolarHBondContact O-N 3.23Å; I1384-C1388 PolarHBondContact O-SG 2.61Å |
| 1385 | I | 80.3 | Confident | 77.3 | Confident | 91 Ų | 91 | 84.8 Ų | 84.8 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 177.6 | -71.9 | 163.9 | 0 | 0 | 0 | 110.9 | A1381 F1382 C1387 C1388 I1389 | A1381-I1385 VanDerWaalsContact O-CB 3.31Å; A1381-I1385 WeakPolarHBondContact O-CB 3.45Å; A1381-I1385 WeakPolarHBondContact O-CD1 3.36Å; A1381-I1385 WeakPolarHBondContact O-CG1 3.39Å; A1381-I1385 PolarHBondContact O-N 3.36Å; F1382-I1385 PolarHBondContact O-N 3.02Å; I1385-C1387 VanDerWaalsContact C-N 3.34Å; I1385-C1387 PolarHBondContact O-N 3.4Å; I1385-C1388 PolarHBondContact O-N 2.79Å; I1385-I1389 HydrophobicContact CG2-CD1 3.83Å; I1385-I1389 HydrophobicContact CG2-CG1 4.36Å; I1385-I1389 VanDerWaalsContact O-CG1 3.28Å; I1385-I1389 WeakPolarHBondContact O-CG1 3.36Å; I1385-I1389 PolarHBondContact O-N 2.79Å |
| 1386 | L | 81 | Confident | 77.8 | Confident | 111 Ų | 111 | 87.2 Ų | 87.2 | 58% | 0.581 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.4 | -35.9 | 176.5 | -78.9 | 166.1 | 0 | 0 | 0 | 112.8 | F1382 I1383 I1384 P1390 | F1382-L1386 VanDerWaalsContact O-CB 3.3Å; F1382-L1386 WeakPolarHBondContact O-CB 3.42Å; F1382-L1386 VanDerWaalsContact O-CG 3.31Å; F1382-L1386 WeakPolarHBondContact O-CG 3.27Å; F1382-L1386 PolarHBondContact O-N 2.89Å; I1383-L1386 PolarHBondContact O-N 2.84Å; I1384-L1386 PolarHBondContact O-N 3.02Å; L1386-P1390 WeakPolarHBondContact O-CD 3.48Å |
| 1387 | C | 80.1 | Confident | 78.2 | Confident | 90 Ų | 90 | 88.5 Ų | 88.5 | 61% | 0.608 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75.9 | -31.6 | 172.9 | -72 | 0 | 0 | 0 | 0 | 112.9 | I1383 I1384 I1385 | I1383-C1387 WeakPolarHBondContact O-CB 3.49Å; I1383-C1387 PolarHBondContact O-N 2.85Å; I1383-C1387 PolarHBondContact O-SG 2.87Å; I1383-C1387 VanDerWaalsContact O-SG 3.37Å; I1384-C1387 CarbonylContact O-C 3.46Å; I1384-C1387 PolarHBondContact O-N 2.77Å; I1385-C1387 VanDerWaalsContact C-N 3.34Å; I1385-C1387 PolarHBondContact O-N 3.4Å |
| 1388 | C | 80 | Confident | 78.4 | Confident | 53 Ų | 53 | 86 Ų | 86 | 36% | 0.358 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -77.9 | -29.1 | 178.6 | -76.4 | 0 | 0 | 0 | 0 | 112.9 | I1384 I1385 A1391 I1392 | I1384-C1388 WeakPolarHBondContact O-CB 3.42Å; I1384-C1388 PolarHBondContact O-N 3.23Å; I1384-C1388 PolarHBondContact O-SG 2.61Å; I1385-C1388 PolarHBondContact O-N 2.79Å; C1388-A1391 PolarHBondContact O-N 3.5Å; C1388-A1391 VanDerWaalsContact O-N 3.16Å; C1388-I1392 HydrophobicContact CB-CD1 4.11Å; C1388-I1392 VanDerWaalsContact O-CB 3.31Å; C1388-I1392 WeakPolarHBondContact O-CB 3.34Å; C1388-I1392 VanDerWaalsContact O-CG1 3.23Å; C1388-I1392 WeakPolarHBondContact O-CG1 3.27Å; C1388-I1392 PolarHBondContact O-N 3.27Å |
| 1389 | I | 80.7 | Confident | 78.2 | Confident | 86 Ų | 86 | 86 Ų | 86 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.8 | -48.6 | 177.9 | -76.4 | 161 | 0 | 0 | 0 | 112 | I1385 A1391 I1392 L1393 | I1385-I1389 HydrophobicContact CG2-CD1 3.83Å; I1385-I1389 HydrophobicContact CG2-CG1 4.36Å; I1385-I1389 VanDerWaalsContact O-CG1 3.28Å; I1385-I1389 WeakPolarHBondContact O-CG1 3.36Å; I1385-I1389 PolarHBondContact O-N 2.79Å; I1389-A1391 PolarHBondContact O-N 3.27Å; I1389-I1392 PolarHBondContact O-N 2.81Å; I1389-L1393 HydrophobicContact CG2-CD1 4.08Å; I1389-L1393 WeakPolarHBondContact O-CB 3.43Å; I1389-L1393 WeakPolarHBondContact O-CG 3.38Å; I1389-L1393 PolarHBondContact O-N 3.16Å |
| 1390 | P | 79.9 | Confident | 78.1 | Confident | 74 Ų | 74 | 93.1 Ų | 93.1 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58 | -44 | 171 | -26.9 | 34.8 | 0 | 0 | 0 | 113.5 | L1386 L1393 V1394 | L1386-P1390 WeakPolarHBondContact O-CD 3.48Å; P1390-L1393 PolarHBondContact O-N 2.91Å; P1390-V1394 WeakPolarHBondContact O-CG2 3.41Å; P1390-V1394 PolarHBondContact O-N 2.87Å |
| 1391 | A | 77.2 | Confident | 77.5 | Confident | 54 Ų | 54 | 94.7 Ų | 94.7 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | C1388 I1389 L1393 V1394 V1395 | C1388-A1391 PolarHBondContact O-N 3.5Å; C1388-A1391 VanDerWaalsContact O-N 3.16Å; I1389-A1391 PolarHBondContact O-N 3.27Å; A1391-L1393 VanDerWaalsContact C-N 3.34Å; A1391-V1394 PolarHBondContact O-N 3.07Å; A1391-V1395 WeakPolarHBondContact O-CG2 3.33Å; A1391-V1395 PolarHBondContact O-N 3.14Å |
| 1392 | I | 78 | Confident | 77.1 | Confident | 96 Ų | 96 | 98.3 Ų | 98.3 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 175.7 | -69 | 166 | 0 | 0 | 0 | 110.5 | C1388 I1389 V1395 L1396 | C1388-I1392 HydrophobicContact CB-CD1 4.11Å; C1388-I1392 VanDerWaalsContact O-CB 3.31Å; C1388-I1392 WeakPolarHBondContact O-CB 3.34Å; C1388-I1392 VanDerWaalsContact O-CG1 3.23Å; C1388-I1392 WeakPolarHBondContact O-CG1 3.27Å; C1388-I1392 PolarHBondContact O-N 3.27Å; I1389-I1392 PolarHBondContact O-N 2.81Å; I1392-V1395 PolarHBondContact O-N 2.84Å; I1392-L1396 HydrophobicContact CG2-CD1 3.82Å; I1392-L1396 HydrophobicContact CG2-CG 4.23Å; I1392-L1396 VanDerWaalsContact O-CB 3.27Å; I1392-L1396 WeakPolarHBondContact O-CB 3.39Å; I1392-L1396 WeakPolarHBondContact O-CG 3.07Å; I1392-L1396 PolarHBondContact O-N 3.43Å |
| 1393 | L | 78.2 | Confident | 76.2 | Confident | 100 Ų | 100 | 97.1 Ų | 97.1 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 171.9 | -78.4 | 167.8 | 0 | 0 | 0 | 112 | I1389 P1390 A1391 L1396 V1397 | I1389-L1393 HydrophobicContact CG2-CD1 4.08Å; I1389-L1393 WeakPolarHBondContact O-CB 3.43Å; I1389-L1393 WeakPolarHBondContact O-CG 3.38Å; I1389-L1393 PolarHBondContact O-N 3.16Å; P1390-L1393 PolarHBondContact O-N 2.91Å; A1391-L1393 VanDerWaalsContact C-N 3.34Å; L1393-L1396 PolarHBondContact O-N 3.48Å; L1393-V1397 WeakPolarHBondContact O-CB 3.15Å; L1393-V1397 VanDerWaalsContact O-CG2 3.29Å; L1393-V1397 WeakPolarHBondContact O-CG2 3.42Å; L1393-V1397 PolarHBondContact O-N 2.82Å |
| 1394 | V | 79.1 | Confident | 75.4 | Confident | 102 Ų | 102 | 97.3 Ų | 97.3 | 62% | 0.618 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 174.1 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | P1390 A1391 V1397 S1398 | P1390-V1394 WeakPolarHBondContact O-CG2 3.41Å; P1390-V1394 PolarHBondContact O-N 2.87Å; A1391-V1394 PolarHBondContact O-N 3.07Å; V1394-V1397 PolarHBondContact O-N 2.66Å; V1394-S1398 WeakPolarHBondContact O-CB 3.45Å; V1394-S1398 PolarHBondContact O-N 3.42Å; V1394-S1398 PolarHBondContact O-OG 2.96Å |
| 1395 | V | 77.1 | Confident | 74.5 | Confident | 91 Ų | 91 | 102.2 Ų | 102.2 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.8 | -40.4 | 174.1 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | A1391 I1392 S1398 Y1399 | A1391-V1395 WeakPolarHBondContact O-CG2 3.33Å; A1391-V1395 PolarHBondContact O-N 3.14Å; I1392-V1395 PolarHBondContact O-N 2.84Å; V1395-S1398 WeakPolarHBondContact CA-OG 3.26Å; V1395-S1398 PolarHBondContact O-OG 2.94Å; V1395-S1398 VanDerWaalsContact O-OG 3.12Å; V1395-Y1399 WeakPolarHBondContact O-CA 3.49Å; V1395-Y1399 WeakPolarHBondContact O-CB 3.37Å; V1395-Y1399 PolarHBondContact O-N 3.14Å |
| 1396 | L | 74.6 | Confident | 73.3 | Confident | 91 Ų | 91 | 102.5 Ų | 102.5 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.8 | -33.8 | 177.5 | -76.4 | 170.6 | 0 | 0 | 0 | 113.1 | I1392 L1393 R1400 | I1392-L1396 HydrophobicContact CG2-CD1 3.82Å; I1392-L1396 HydrophobicContact CG2-CG 4.23Å; I1392-L1396 VanDerWaalsContact O-CB 3.27Å; I1392-L1396 WeakPolarHBondContact O-CB 3.39Å; I1392-L1396 WeakPolarHBondContact O-CG 3.07Å; I1392-L1396 PolarHBondContact O-N 3.43Å; L1393-L1396 PolarHBondContact O-N 3.48Å; L1396-R1400 VanDerWaalsContact O-CB 3.3Å; L1396-R1400 WeakPolarHBondContact O-CB 3.16Å; L1396-R1400 WeakPolarHBondContact O-CG 3.48Å; L1396-R1400 PolarHBondContact O-N 2.84Å |
| 1397 | V | 77.6 | Confident | 72.1 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 52% | 0.515 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.4 | -47.7 | 174.8 | 168 | 0 | 0 | 0 | 0 | 110.5 | L1393 V1394 R1400 Q1401 | L1393-V1397 WeakPolarHBondContact O-CB 3.15Å; L1393-V1397 VanDerWaalsContact O-CG2 3.29Å; L1393-V1397 WeakPolarHBondContact O-CG2 3.42Å; L1393-V1397 PolarHBondContact O-N 2.82Å; V1394-V1397 PolarHBondContact O-N 2.66Å; V1397-R1400 PolarHBondContact O-N 3.13Å; V1397-Q1401 PolarHBondContact O-N 2.91Å |
| 1398 | S | 75.5 | Confident | 70.9 | Confident | 57 Ų | 57 | 104 Ų | 104 | 40% | 0.399 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 175.8 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | V1394 V1395 Q1401 F1402 | V1394-S1398 WeakPolarHBondContact O-CB 3.45Å; V1394-S1398 PolarHBondContact O-N 3.42Å; V1394-S1398 PolarHBondContact O-OG 2.96Å; V1395-S1398 WeakPolarHBondContact CA-OG 3.26Å; V1395-S1398 PolarHBondContact O-OG 2.94Å; V1395-S1398 VanDerWaalsContact O-OG 3.12Å; S1398-Q1401 PolarHBondContact O-N 2.93Å; S1398-F1402 WeakPolarHBondContact O-CB 3.48Å; S1398-F1402 PolarHBondContact O-N 2.87Å |
| 1399 | Y | 70.4 | Confident | 69.8 | Low | 113 Ų | 113 | 106.5 Ų | 106.5 | 44% | 0.443 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -33.4 | 172.6 | -175.4 | -107.5 | 0 | 0 | 0 | 112.6 | V1395 F1402 K1403 | V1395-Y1399 WeakPolarHBondContact O-CA 3.49Å; V1395-Y1399 WeakPolarHBondContact O-CB 3.37Å; V1395-Y1399 PolarHBondContact O-N 3.14Å; Y1399-F1402 PolarHBondContact O-N 3.42Å; Y1399-K1403 HydrophobicContact CD1-CD 4.43Å; Y1399-K1403 HydrophobicContact CE1-CD 3.67Å; Y1399-K1403 HydrophobicContact CE1-CG 4.33Å; Y1399-K1403 WeakPolarHBondContact O-CB 3.41Å; Y1399-K1403 PolarHBondContact O-N 3.5Å; Y1399-K1403 WeakPolarHBondContact OH-CE 3.47Å; Y1399-K1403 PolarHBondContact OH-NZ 2.88Å |
| 1400 | R | 73.8 | Confident | 68.5 | Low | 200 Ų | 200 | 107.9 Ų | 107.9 | 76% | 0.755 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.1 | -47.6 | 168.6 | -94.2 | -174.5 | 165.5 | -173.4 | -3.3 | 111.4 | L1396 V1397 F1402 K1403 V1404 | L1396-R1400 VanDerWaalsContact O-CB 3.3Å; L1396-R1400 WeakPolarHBondContact O-CB 3.16Å; L1396-R1400 WeakPolarHBondContact O-CG 3.48Å; L1396-R1400 PolarHBondContact O-N 2.84Å; V1397-R1400 PolarHBondContact O-N 3.13Å; R1400-F1402 VanDerWaalsContact C-N 3.27Å; R1400-F1402 PolarHBondContact O-N 2.04Å; R1400-K1403 PolarHBondContact O-N 3Å; R1400-V1404 VanDerWaalsContact O-CG2 3.31Å; R1400-V1404 WeakPolarHBondContact O-CG2 3.33Å; R1400-V1404 PolarHBondContact O-N 3.32Å |
| 1401 | Q | 67.8 | Low | 67 | Low | 128 Ų | 128 | 113.4 Ų | 113.4 | 60% | 0.598 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.2 | -36.6 | 175.6 | -70.3 | -175.9 | -3 | 0 | 0 | 112.1 | V1397 S1398 R1405 | V1397-Q1401 PolarHBondContact O-N 2.91Å; S1398-Q1401 PolarHBondContact O-N 2.93Å; Q1401-R1405 PolarHBondContact O-N 3.16Å |
| 1402 | F | 69.2 | Low | 65.8 | Low | 115 Ų | 115 | 117 Ų | 117 | 50% | 0.504 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70 | -44.7 | 175.8 | -169.2 | -103.9 | 0 | 0 | 0 | 112.6 | S1398 Y1399 R1400 V1404 R1405 Q1406 | S1398-F1402 WeakPolarHBondContact O-CB 3.48Å; S1398-F1402 PolarHBondContact O-N 2.87Å; Y1399-F1402 PolarHBondContact O-N 3.42Å; R1400-F1402 VanDerWaalsContact C-N 3.27Å; R1400-F1402 PolarHBondContact O-N 2.04Å; F1402-V1404 VanDerWaalsContact C-N 3.35Å; F1402-V1404 PolarHBondContact O-N 3.06Å; F1402-R1405 PolarHBondContact O-N 3.05Å; F1402-R1405 VanDerWaalsContact O-N 3.11Å; F1402-Q1406 HydrophobicContact CD1-CG 4.2Å; F1402-Q1406 HydrophobicContact CE1-CG 3.92Å; F1402-Q1406 HydrophobicContact CZ-CG 4.31Å; F1402-Q1406 PolarHBondContact O-N 2.65Å |
| 1403 | K | 60.2 | Low | 64.1 | Low | 112 Ų | 112 | 117.2 Ų | 117.2 | 49% | 0.487 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.9 | -35.4 | 176.4 | -109.2 | -176.5 | 169.4 | 162.9 | 0 | 113 | Y1399 R1400 R1405 Q1406 A1407 | Y1399-K1403 HydrophobicContact CD1-CD 4.43Å; Y1399-K1403 HydrophobicContact CE1-CD 3.67Å; Y1399-K1403 HydrophobicContact CE1-CG 4.33Å; Y1399-K1403 WeakPolarHBondContact O-CB 3.41Å; Y1399-K1403 PolarHBondContact O-N 3.5Å; Y1399-K1403 WeakPolarHBondContact OH-CE 3.47Å; Y1399-K1403 PolarHBondContact OH-NZ 2.88Å; R1400-K1403 PolarHBondContact O-N 3Å; K1403-R1405 VanDerWaalsContact C-N 3.27Å; K1403-R1405 PolarHBondContact O-N 2.79Å; K1403-Q1406 PolarHBondContact O-N 2.66Å; K1403-A1407 PolarHBondContact O-N 2.78Å |
| 1404 | V | 64 | Low | 62.2 | Low | 106 Ų | 106 | 123.8 Ų | 123.8 | 64% | 0.642 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.6 | -37 | 172.7 | 168.9 | 0 | 0 | 0 | 0 | 111 | R1400 F1402 | R1400-V1404 VanDerWaalsContact O-CG2 3.31Å; R1400-V1404 WeakPolarHBondContact O-CG2 3.33Å; R1400-V1404 PolarHBondContact O-N 3.32Å; F1402-V1404 VanDerWaalsContact C-N 3.35Å; F1402-V1404 PolarHBondContact O-N 3.06Å |
| 1405 | R | 59.2 | Low | 60.4 | Low | 192 Ų | 192 | 126.3 Ų | 126.3 | 73% | 0.725 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.7 | -33.5 | 173.9 | -71.1 | 178.4 | 173.9 | 165.1 | -0.5 | 113.9 | Q1401 F1402 K1403 A1407 | Q1401-R1405 PolarHBondContact O-N 3.16Å; F1402-R1405 PolarHBondContact O-N 3.05Å; F1402-R1405 VanDerWaalsContact O-N 3.11Å; K1403-R1405 VanDerWaalsContact C-N 3.27Å; K1403-R1405 PolarHBondContact O-N 2.79Å; R1405-A1407 VanDerWaalsContact C-N 3.3Å; R1405-A1407 PolarHBondContact O-N 2.86Å |
| 1406 | Q | 56 | Low | 58.5 | Low | 97 Ų | 97 | 130.8 Ų | 130.8 | 45% | 0.453 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -72.4 | -21.9 | 175.5 | -74.2 | -166.7 | -43.4 | 0 | 0 | 113.8 | F1402 K1403 E1408 C1409 T1410 | F1402-Q1406 HydrophobicContact CD1-CG 4.2Å; F1402-Q1406 HydrophobicContact CE1-CG 3.92Å; F1402-Q1406 HydrophobicContact CZ-CG 4.31Å; F1402-Q1406 PolarHBondContact O-N 2.65Å; K1403-Q1406 PolarHBondContact O-N 2.66Å; Q1406-E1408 PolarHBondContact O-N 3.17Å; Q1406-C1409 PolarHBondContact O-N 2.79Å; Q1406-T1410 PolarHBondContact O-OG1 2.96Å |
| 1407 | A | 55.1 | Low | 57 | Low | 69 Ų | 69 | 131.9 Ų | 131.9 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -17.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1403 R1405 | K1403-A1407 PolarHBondContact O-N 2.78Å; R1405-A1407 VanDerWaalsContact C-N 3.3Å; R1405-A1407 PolarHBondContact O-N 2.86Å |
| 1408 | E | 56 | Low | 55 | Low | 163 Ų | 163 | 131.7 Ų | 131.7 | 76% | 0.762 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -20.2 | -179.9 | -60.1 | -171.5 | 126.5 | 0 | 0 | 113.1 | Q1406 | Q1406-E1408 PolarHBondContact O-N 3.17Š|
| 1409 | C | 56.3 | Low | 53.2 | Low | 106 Ų | 106 | 137.7 Ų | 137.7 | 72% | 0.716 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -5 | -166.5 | -65.7 | 0 | 0 | 0 | 0 | 116.8 | Q1406 | Q1406-C1409 PolarHBondContact O-N 2.79Š|
| 1410 | T | 53 | Low | 51.7 | Low | 115 Ų | 115 | 138.4 Ų | 138.4 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | -115.5 | 21.5 | -170.3 | 42.3 | 0 | 0 | 0 | 0 | 114.8 | Q1406 T1412 | Q1406-T1410 PolarHBondContact O-OG1 2.96Å; T1410-T1412 VanDerWaalsContact C-N 3.31Å; T1410-T1412 PolarHBondContact O-N 2.92Å | ||
| 1411 | K | 48 | Very low | 49.7 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 6 | -166.2 | -136.2 | 170.8 | -173.6 | 173.1 | 0 | 116.2 | ||
| 1412 | T | 52.1 | Low | 48.1 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 80% | 0.798 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.8 | 7.4 | -156.8 | 41.6 | 0 | 0 | 0 | 0 | 116.8 | T1410 | T1410-T1412 VanDerWaalsContact C-N 3.31Å; T1410-T1412 PolarHBondContact O-N 2.92Å |
| 1413 | A | 42.9 | Very low | 46.2 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | -118.2 | 22.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1414 | R | 38.5 | Very low | 45.3 | Very low | 237 Ų | 237 | 136.1 Ų | 136.1 | 89% | 0.894 | 76% | 0.76 | S | S | * | * | trans | -105.1 | 120.1 | 164.8 | -98.2 | -177.1 | 170.9 | 167 | -3.4 | 108.7 | ||||
| 1415 | I | 40.5 | Very low | 43.7 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 80% | 0.795 | 77% | 0.766 | S | S | * | * | trans | 167.9 | 143.2 | 149.4 | -92.8 | 153.8 | 0 | 0 | 0 | 108.5 | ||||
| 1416 | Q | 38.3 | Very low | 42.7 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 64.1 | 121.5 | -174.6 | -62 | 162 | 16 | 0 | 0 | 114 | ||
| 1417 | S | 42.3 | Very low | 41.7 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | cis | -139 | 137.5 | -3.1 | 47.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1418 | A | 35.7 | Very low | 40.4 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | cis | 71.9 | 94.1 | 30.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1419 | M | 37.8 | Very low | 39.4 | Very low | 184 Ų | 184 | 132.6 Ų | 132.6 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | 87.1 | 159.9 | 90.1 | -90.1 | -174.4 | 164.3 | 0 | 0 | 113 | |||||
| 1420 | P | 39.9 | Very low | 38.2 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | cis | -96.1 | -128.4 | 6.5 | 30.1 | -11.5 | 0 | 0 | 0 | 111.5 | ||||
| 1421 | A | 32 | Very low | 37.3 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | cis | -149.3 | -175.4 | 6.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1422 | A | 32.9 | Very low | 37.3 | Very low | 90 Ų | 90 | 128.8 Ų | 128.8 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | -163.1 | 167.1 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1423 | K | 29.8 | Very low | 36.7 | Very low | 204 Ų | 204 | 127.1 Ų | 127.1 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | 68.8 | 171.3 | 155.4 | -84.9 | -176.9 | 178.5 | -175.6 | 0 | 117.7 | ||||
| 1424 | P | 40.6 | Very low | 37.1 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | cis | -136.6 | -156.9 | -30.4 | 38.3 | -18.2 | 0 | 0 | 0 | 113.7 | ||||
| 1425 | A | 31.3 | Very low | 37.4 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | -49.2 | 173.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1426 | A | 38.2 | Very low | 37.5 | Very low | 92 Ų | 92 | 120.6 Ų | 120.6 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -58.6 | 166.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1427 | P | 34.2 | Very low | 38 | Very low | 113 Ų | 113 | 117.7 Ų | 117.7 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | cis | -143 | -156.2 | 20.9 | 42.7 | -21.2 | 0 | 0 | 0 | 115.4 | ||||
| 1428 | V | 27.1 | Very low | 38.2 | Very low | 135 Ų | 135 | 117.9 Ų | 117.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 78.8 | 150 | 153.3 | 158.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1429 | P | 35.4 | Very low | 38.2 | Very low | 120 Ų | 120 | 120 Ų | 120 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -116.5 | 157.2 | -163.1 | 40.4 | -28.2 | 0 | 0 | 0 | 116.5 | ||||
| 1430 | A | 31.3 | Very low | 38.2 | Very low | 106 Ų | 106 | 116.7 Ų | 116.7 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | -166.6 | 170.6 | 161 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1431 | A | 35.4 | Very low | 38 | Very low | 94 Ų | 94 | 116.1 Ų | 116.1 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -131.5 | -146.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1432 | P | 46.4 | Very low | 38.5 | Very low | 129 Ų | 129 | 117.4 Ų | 117.4 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | -116.7 | 178.2 | -65 | 36.6 | -24.9 | 0 | 0 | 0 | 113.6 | |||||
| 1433 | A | 41.2 | Very low | 38.4 | Very low | 96 Ų | 96 | 119.4 Ų | 119.4 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -147 | 153.1 | 164 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1434 | P | 49.6 | Very low | 38.3 | Very low | 122 Ų | 122 | 113 Ų | 113 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -129.5 | -161.2 | -143 | 42.6 | -23.9 | 0 | 0 | 0 | 114.5 | ||||
| 1435 | P | 46.2 | Very low | 37.7 | Very low | 114 Ų | 114 | 111.6 Ų | 111.6 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | -134.2 | 165.5 | -78.5 | 41.7 | -26.2 | 0 | 0 | 0 | 115.4 | |||||
| 1436 | P | 43 | Very low | 37.8 | Very low | 120 Ų | 120 | 115.4 Ų | 115.4 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -104.2 | 170.5 | 143.6 | 29 | -17 | 0 | 0 | 0 | 112.1 | ||
| 1437 | P | 48.1 | Very low | 37.5 | Very low | 125 Ų | 125 | 116.1 Ų | 116.1 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -85.1 | 159.4 | -148.6 | -15 | 31.6 | 0 | 0 | 0 | 118.6 | ||||
| 1438 | P | 45.7 | Very low | 37.2 | Very low | 116 Ų | 116 | 121.9 Ų | 121.9 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -95.8 | 145.3 | 175.6 | 37.6 | -33.6 | 0 | 0 | 0 | 113.7 | ||||
| 1439 | P | 35.6 | Very low | 37.4 | Very low | 125 Ų | 125 | 121.1 Ų | 121.1 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | -149.1 | -144.8 | 98.6 | 33.6 | -10.8 | 0 | 0 | 0 | 112.3 | |||||
| 1440 | P | 39.1 | Very low | 37.2 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | -106.1 | 179.9 | -77.9 | 36.8 | -23.1 | 0 | 0 | 0 | 114.1 | |||||
| 1441 | P | 33.9 | Very low | 37.2 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -96.8 | -174.4 | -176.8 | 43.3 | -38.4 | 0 | 0 | 0 | 113.3 | ||||
| 1442 | P | 43.2 | Very low | 37 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | -76.9 | 151.6 | -156.5 | 35.5 | -37.8 | 0 | 0 | 0 | 114.3 | ||||
| 1443 | P | 32 | Very low | 36.2 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | -130.3 | -149.3 | 79.9 | 40.7 | -29 | 0 | 0 | 0 | 112.8 | |||||
| 1444 | G | 26.5 | Very low | 35.9 | Very low | 68 Ų | 68 | 129.6 Ų | 129.6 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -111.9 | -161.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1445 | A | 28.9 | Very low | 35.2 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | 79.2 | 128.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1446 | H | 31.9 | Very low | 34.6 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | trans | 60.9 | 150.9 | 136.1 | -81.4 | -95.4 | 0 | 0 | 0 | 124.2 | ||||
| 1447 | L | 32.3 | Very low | 34.3 | Very low | 107 Ų | 107 | 132 Ų | 132 | 56% | 0.56 | 77% | 0.771 | S | S | * | * | trans | 76 | 107 | 149.2 | -69.4 | 155.1 | 0 | 0 | 0 | 121.4 | E1449 | L1447-E1449 HydrophobicContact CB-CB 4.35Å; L1447-E1449 HydrophobicContact CB-CG 4.5Å; L1447-E1449 HydrophobicContact CD2-CB 4.19Å; L1447-E1449 HydrophobicContact CD2-CG 3.85Å | ||
| 1448 | Y | 29.4 | Very low | 33.5 | Very low | 234 Ų | 234 | 132.2 Ų | 132.2 | 92% | 0.918 | 76% | 0.759 | S | S | * | * | -109.8 | 130.6 | 110.7 | -96.7 | -113.8 | 0 | 0 | 0 | 104.7 | |||||
| 1449 | E | 30.1 | Very low | 33.1 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 56% | 0.556 | 76% | 0.755 | S | S | * | * | cis | 63.8 | 132.7 | 14.8 | -101.5 | 161 | -155.1 | 0 | 0 | 113.8 | L1447 | L1447-E1449 HydrophobicContact CB-CB 4.35Å; L1447-E1449 HydrophobicContact CB-CG 4.5Å; L1447-E1449 HydrophobicContact CD2-CB 4.19Å; L1447-E1449 HydrophobicContact CD2-CG 3.85Å | ||
| 1450 | E | 30.5 | Very low | 32.9 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | cis | -156.1 | 126 | -1 | -160.1 | 178.5 | -168.4 | 0 | 0 | 110.4 | ||||
| 1451 | L | 31.5 | Very low | 32.5 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 96% | 0.963 | 75% | 0.752 | S | S | * | * | trans | 174.7 | 116.9 | 166 | -102.7 | 174.5 | 0 | 0 | 0 | 107.9 | ||||
| 1452 | G | 31.1 | Very low | 32.7 | Very low | 62 Ų | 62 | 137.1 Ų | 137.1 | 64% | 0.639 | 75% | 0.745 | S | S | * | * | cis | 177.5 | 146.5 | -10.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1453 | E | 30.4 | Very low | 32.2 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | 54.8 | 101.1 | 157.9 | -56.2 | -170.9 | 142.2 | 0 | 0 | 120.8 | ||||
| 1454 | S | 35 | Very low | 32.4 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | 134.9 | 119.9 | 116 | -64.5 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 1455 | A | 35.6 | Very low | 32.6 | Very low | 100 Ų | 100 | 145 Ų | 145 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | trans | 69 | 140.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1456 | M | 32.4 | Very low | 32.9 | Very low | 154 Ų | 154 | 146 Ų | 146 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | cis | -158.8 | 124.6 | 3.9 | -159.6 | 168.8 | -180 | 0 | 0 | 113.4 | ||||
| 1457 | H | 36.2 | Very low | 33 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 70% | 0.704 | 75% | 0.748 | S | S | * | * | trans | 63.2 | 149.7 | 152.6 | -72 | -11.8 | 0 | 0 | 0 | 120.6 | ||||
| 1458 | K | 31.5 | Very low | 33.1 | Very low | 130 Ų | 130 | 152 Ų | 152 | 57% | 0.565 | 76% | 0.758 | S | S | * | * | cis | -178.2 | 128 | -18.3 | -141.3 | 175.9 | 171.4 | -158.5 | 0 | 105.7 | ||||
| 1459 | Y | 37.5 | Very low | 33.2 | Very low | 172 Ų | 172 | 151.1 Ų | 151.1 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | -171.2 | 143.6 | 61.1 | -76 | -84.8 | 0 | 0 | 0 | 106.5 | |||||
| 1460 | E | 32 | Very low | 33.2 | Very low | 151 Ų | 151 | 151.8 Ų | 151.8 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | 64.4 | 136.2 | 72.9 | -71.3 | -175.3 | 122.1 | 0 | 0 | 116.2 | |||||
| 1461 | M | 31.1 | Very low | 33.1 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | cis | -171.6 | -163.4 | -10.8 | -157 | 145.1 | 83.2 | 0 | 0 | 110.5 | ||||
| 1462 | P | 37.5 | Very low | 33.5 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 60% | 0.604 | 75% | 0.75 | S | S | * | * | -121.1 | 165.2 | -84.2 | 40.4 | -26.3 | 0 | 0 | 0 | 120.8 | |||||
| 1463 | Q | 32.5 | Very low | 33.7 | Very low | 185 Ų | 185 | 150.3 Ų | 150.3 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | 34.4 | 140 | 131.7 | -54.4 | 172.8 | -15.8 | 0 | 0 | 125.1 | ||||
| 1464 | Y | 36.6 | Very low | 33.7 | Very low | 244 Ų | 244 | 146.1 Ų | 146.1 | 96% | 0.957 | 75% | 0.754 | S | S | * | * | trans | -160.6 | 165.6 | 132.6 | -131.6 | -91.3 | 0 | 0 | 0 | 113.1 | ||||
| 1465 | G | 31.6 | Very low | 33.4 | Very low | 59 Ų | 59 | 144.3 Ų | 144.3 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | trans | 167.5 | 151.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1466 | S | 34.9 | Very low | 33.1 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | -175.1 | 144.5 | 171.1 | -101.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1467 | R | 34.2 | Very low | 33 | Very low | 203 Ų | 203 | 146.9 Ų | 146.9 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | trans | 68 | 123.7 | 135.3 | -71.9 | -179.5 | 170.5 | -160.7 | 1.8 | 124.9 | ||||
| 1468 | R | 34.2 | Very low | 32.8 | Very low | 204 Ų | 204 | 145.9 Ų | 145.9 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | 58.1 | 118 | 122.5 | -65.7 | -178 | 170.9 | -168.1 | -1.3 | 122.7 | |||||
| 1469 | R | 30.4 | Very low | 33.2 | Very low | 215 Ų | 215 | 149.1 Ų | 149.1 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | 57 | 128 | 108.5 | -147.6 | -157.2 | -153.3 | -159.2 | 8.5 | 120.3 | |||||
| 1470 | L | 30.6 | Very low | 33.1 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | trans | 104.7 | 119.1 | 154.5 | -57.2 | 170.7 | 0 | 0 | 0 | 118.2 | ||||
| 1471 | L | 28.2 | Very low | 33.2 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | trans | 46.3 | 142.8 | 135.8 | -60.4 | 167.4 | 0 | 0 | 0 | 122.5 | ||||
| 1472 | P | 39.3 | Very low | 33.3 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | trans | -87.5 | -177.9 | 167.7 | 41.5 | -38.8 | 0 | 0 | 0 | 111.9 | ||||
| 1473 | P | 36.8 | Very low | 33.1 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | cis | -132.6 | -174.6 | -4.5 | 42.3 | -25.8 | 0 | 0 | 0 | 115.8 | ||||
| 1474 | A | 29.1 | Very low | 33.2 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | trans | 75.3 | 129.5 | 146.2 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 1475 | G | 29 | Very low | 33 | Very low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | 74.5 | 160.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1476 | Q | 29.8 | Very low | 33.2 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | cis | -171.1 | 165.2 | -19.4 | -159.7 | 164.2 | -49.3 | 0 | 0 | 108.9 | ||||
| 1477 | E | 30.4 | Very low | 33.1 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | 67.4 | 156.8 | 160.2 | -101.9 | 120 | -116.2 | 0 | 0 | 119.1 | ||||
| 1478 | E | 32.6 | Very low | 32.9 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 61% | 0.612 | 78% | 0.775 | S | S | * | * | cis | -163.8 | 174.9 | -2 | -149.2 | 178.6 | 162.4 | 0 | 0 | 112.8 | ||||
| 1479 | Y | 39.2 | Very low | 32.6 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 68.6 | 132.2 | 169.7 | -64.6 | -74.1 | 0 | 0 | 0 | 120.1 | ||||
| 1480 | G | 35.2 | Very low | 32.8 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | cis | -171.2 | -172.9 | -1.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1481 | E | 34.5 | Very low | 32.8 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | cis | -166.6 | 105.8 | 1.1 | 176.1 | -172.1 | -176.2 | 0 | 0 | 110.6 | ||||
| 1482 | V | 33.6 | Very low | 32.9 | Very low | 142 Ų | 142 | 141 Ų | 141 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -154.6 | 84.9 | 151.6 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1483 | I | 32.6 | Very low | 32.4 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | 28.2 | 126.9 | 142.4 | -51.9 | 175.9 | 0 | 0 | 0 | 121.1 | ||||
| 1484 | G | 34.3 | Very low | 32.1 | Very low | 65 Ų | 65 | 145.9 Ų | 145.9 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | trans | 134.1 | 94 | 158.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1485 | E | 32.6 | Very low | 32.3 | Very low | 188 Ų | 188 | 152 Ų | 152 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | 58 | 123.9 | 68.6 | -62.1 | -174.1 | -175.6 | 0 | 0 | 113.9 | |||||
| 1486 | A | 35.9 | Very low | 32.6 | Very low | 83 Ų | 83 | 153 Ų | 153 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | cis | -165.2 | 169.7 | -4.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1487 | E | 32.7 | Very low | 33 | Very low | 196 Ų | 196 | 156.4 Ų | 156.4 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | 70.3 | 173.2 | 148.9 | -77.7 | 172.6 | -177.3 | 0 | 0 | 122.5 | ||||
| 1488 | E | 30.2 | Very low | 33.2 | Very low | 186 Ų | 186 | 158.9 Ų | 158.9 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -123.9 | 177.1 | -156.2 | -56.3 | 178.2 | 108.2 | 0 | 0 | 113.8 | ||||
| 1489 | E | 27.4 | Very low | 33.3 | Very low | 148 Ų | 148 | 163.7 Ų | 163.7 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | 82.8 | 152.9 | 150.4 | -139.2 | 169.9 | -135.2 | 0 | 0 | 119.7 | ||||
| 1490 | Y | 35.7 | Very low | 32.8 | Very low | 172 Ų | 172 | 162.2 Ų | 162.2 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | trans | 67 | 133.6 | 179.3 | -50.3 | -73.7 | 0 | 0 | 0 | 116.4 | ||||
| 1491 | E | 29.6 | Very low | 32.6 | Very low | 166 Ų | 166 | 165.7 Ų | 165.7 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | cis | 88.6 | 122.2 | 45.4 | -74.9 | -167.4 | 146.5 | 0 | 0 | 115.2 | ||||
| 1492 | E | 29.8 | Very low | 32.4 | Very low | 171 Ų | 171 | 166.4 Ų | 166.4 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | 58.6 | 133 | 160.1 | -57.2 | -164.3 | 131.5 | 0 | 0 | 122.7 | ||||
| 1493 | E | 30 | Very low | 32.2 | Very low | 180 Ų | 180 | 165.9 Ų | 165.9 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | 64.1 | 153.6 | 158.7 | -62.8 | -177.2 | 157.4 | 0 | 0 | 118.5 | ||||
| 1494 | E | 30.6 | Very low | 32.2 | Very low | 157 Ų | 157 | 164.6 Ų | 164.6 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | cis | -144.3 | -162.2 | 0.4 | -141.3 | -164.9 | 162.6 | 0 | 0 | 113.2 | ||||
| 1495 | W | 32.5 | Very low | 32.1 | Very low | 229 Ų | 229 | 167.1 Ų | 167.1 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -80.1 | 151.6 | -155.2 | -69.7 | -15.5 | 0 | 0 | 0 | 121.5 | ||||
| 1496 | A | 35.2 | Very low | 32.1 | Very low | 95 Ų | 95 | 165 Ų | 165 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 69.1 | 143.9 | 143.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1497 | R | 38 | Very low | 32.1 | Very low | 234 Ų | 234 | 170.9 Ų | 170.9 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | S | Bend | cis | -137.9 | 150.8 | 23 | -58.4 | 166.8 | -179.1 | -176.4 | -0.6 | 109.7 | ||
| 1498 | K | 35 | Very low | 32.2 | Very low | 199 Ų | 199 | 167.3 Ų | 167.3 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | cis | -152.3 | 132.5 | 0.3 | -126 | -179.2 | -177.7 | -172.8 | 0 | 108 | ||||
| 1499 | R | 34.9 | Very low | 32.5 | Very low | 232 Ų | 232 | 167.6 Ų | 167.6 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | trans | -91.6 | 179.8 | 166.6 | -73.3 | -176.8 | 178.7 | 176 | 0.8 | 110.6 | ||||
| 1500 | M | 29.3 | Very low | 33 | Very low | 166 Ų | 166 | 168 Ų | 168 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 113.7 | 140.6 | 145.2 | -62.4 | -170.2 | -71.8 | 0 | 0 | 115.6 | ||||
| 1501 | I | 30 | Very low | 33.1 | Very low | 147 Ų | 147 | 165.2 Ų | 165.2 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | cis | -145.8 | 159 | 1.1 | -127.1 | 159.7 | 0 | 0 | 0 | 112.1 | ||||
| 1502 | K | 29.9 | Very low | 33.5 | Very low | 186 Ų | 186 | 162 Ų | 162 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | trans | -123 | 154.6 | 160.9 | -164.7 | -170.2 | 178.6 | 176.7 | 0 | 106.6 | ||||
| 1503 | L | 29.8 | Very low | 33.8 | Very low | 132 Ų | 132 | 159.2 Ų | 159.2 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | 86.7 | 112.1 | 179.2 | -81.7 | 85.8 | 0 | 0 | 0 | 118.7 | ||||
| 1504 | V | 32.1 | Very low | 34.4 | Very low | 125 Ų | 125 | 156.3 Ų | 156.3 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | 63.4 | 128.6 | 104.7 | 174.9 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1505 | V | 33.3 | Very low | 34.8 | Very low | 118 Ų | 118 | 152.3 Ų | 152.3 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | trans | 85.5 | 114.8 | 157.6 | 162.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1506 | D | 32.2 | Very low | 35.1 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | 29.9 | 128.1 | 143.8 | -45.1 | -20.1 | 0 | 0 | 0 | 123.9 | ||||
| 1507 | R | 36 | Very low | 35.1 | Very low | 207 Ų | 207 | 153 Ų | 153 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | 117.1 | 115.9 | 117.3 | -142.3 | 171 | 173.1 | 145.2 | 13.9 | 120.7 | |||||
| 1508 | E | 34.1 | Very low | 35.2 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 56% | 0.561 | 77% | 0.768 | S | S | * | * | trans | 24.4 | 122 | 142.9 | -48.5 | 168.5 | 150.1 | 0 | 0 | 121 | ||||
| 1509 | Y | 38 | Very low | 35.3 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | -176.6 | -174 | 97.9 | -109.7 | -81.6 | 0 | 0 | 0 | 113.2 | |||||
| 1510 | E | 36.5 | Very low | 35.5 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | trans | -111.3 | 177.8 | -149.4 | -57.1 | 167.4 | 108.9 | 0 | 0 | 117.1 | ||||
| 1511 | S | 38 | Very low | 35.8 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 81.2 | 149 | 151.9 | 77 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1512 | S | 37.4 | Very low | 35.9 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -173 | 129.8 | -24.7 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1513 | S | 37.2 | Very low | 36.1 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | 47.4 | -178.8 | 144.5 | 75.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1514 | P | 42.2 | Very low | 36.3 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | cis | -127.9 | 169.1 | -26.5 | 27.1 | -6.8 | 0 | 0 | 0 | 115.5 | ||||
| 1515 | G | 38.6 | Very low | 36.4 | Very low | 73 Ų | 73 | 136.6 Ų | 136.6 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | 81.3 | 158.7 | 147 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1516 | E | 38.6 | Very low | 36.4 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | cis | -163 | 139.9 | -18.1 | -136 | 171.4 | -163.1 | 0 | 0 | 112.4 | ||||
| 1517 | D | 36.8 | Very low | 36.5 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | 61.8 | 159 | 147 | -132.7 | -3.7 | 0 | 0 | 0 | 126.4 | ||||
| 1518 | S | 38.4 | Very low | 36.5 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 84.5 | 140.1 | 158 | -70.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1519 | A | 37.4 | Very low | 36.4 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -115.4 | -159.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1520 | P | 39.7 | Very low | 36.4 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | cis | -141.9 | 179.4 | 3.4 | 44.5 | -24.5 | 0 | 0 | 0 | 118.6 | ||||
| 1521 | E | 34.7 | Very low | 36.2 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | 53.8 | 125.2 | 146.1 | -77 | -171.1 | 117.9 | 0 | 0 | 126.4 | ||||
| 1522 | S | 32.5 | Very low | 36 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | 63.1 | 141.5 | 146.3 | 104.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1523 | Q | 34.8 | Very low | 35.8 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | cis | -160.8 | 147.1 | 32.2 | -147.7 | 177.2 | 92.2 | 0 | 0 | 114.2 | ||||
| 1524 | R | 34.1 | Very low | 35.6 | Very low | 217 Ų | 217 | 140.5 Ų | 140.5 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | trans | 64.9 | 120.5 | 152.2 | -94.7 | 177.6 | 170.5 | 170.7 | -2.2 | 123.7 | ||||
| 1525 | S | 33.3 | Very low | 35.3 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 78.6 | 138.1 | 140.5 | 74.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1526 | R | 34.1 | Very low | 35.5 | Very low | 223 Ų | 223 | 142.7 Ų | 142.7 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | cis | -156.8 | 150.1 | -0 | -135.3 | -176.2 | 176.4 | 171.9 | -3.1 | 111.9 | ||||
| 1527 | T | 34.2 | Very low | 35.4 | Very low | 110 Ų | 110 | 140 Ų | 140 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | trans | 52.8 | 135.6 | 151.2 | 57.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1528 | H | 35.6 | Very low | 35.4 | Very low | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | cis | -159.4 | 169.2 | -18.4 | -125.9 | -74.5 | 0 | 0 | 0 | 111.3 | ||||
| 1529 | K | 31.2 | Very low | 35.5 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -168 | -177.4 | -176 | -110.6 | -165.8 | 174.6 | -173.2 | 0 | 107.7 | ||||
| 1530 | P | 39.3 | Very low | 35.5 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 69% | 0.688 | 73% | 0.732 | S | S | * | * | cis | -138.7 | -164.9 | -38.7 | 41.5 | -23 | 0 | 0 | 0 | 113.8 | ||||
| 1531 | S | 31.8 | Very low | 35.3 | Very low | 118 Ų | 118 | 141 Ų | 141 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -42.6 | 154.9 | 165.2 | 56.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1532 | G | 33.7 | Very low | 35.5 | Very low | 83 Ų | 83 | 140.4 Ų | 140.4 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | trans | -162.3 | 136.1 | 161 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1533 | R | 32.7 | Very low | 35.8 | Very low | 249 Ų | 249 | 139.9 Ų | 139.9 | 94% | 0.94 | 74% | 0.74 | S | S | * | * | trans | -94.3 | 163.8 | 168.3 | -81.7 | 177.2 | 174.6 | 170.3 | -4.9 | 109.5 | ||||
| 1534 | S | 33.8 | Very low | 36 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | cis | -178.9 | 144.8 | -15.9 | 53.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1535 | N | 36.1 | Very low | 36.3 | Very low | 145 Ų | 145 | 138 Ų | 138 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | trans | 44.2 | 147.8 | 145.5 | -71.4 | 21.7 | 0 | 0 | 0 | 124 | ||||
| 1536 | V | 41.7 | Very low | 36.4 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 57% | 0.57 | 74% | 0.743 | S | S | * | * | cis | -172.3 | 137.2 | -27.9 | 112.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1537 | N | 37.4 | Very low | 36.4 | Very low | 133 Ų | 133 | 131 Ų | 131 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | 40.3 | 151.8 | 148.3 | -49.7 | -7.4 | 0 | 0 | 0 | 124.3 | K932 | K932-N1537 PolarHBondContact NZ-O 2.93Š| ||
| 1538 | G | 37.3 | Very low | 36.2 | Very low | 43 Ų | 43 | 132.2 Ų | 132.2 | 44% | 0.443 | 75% | 0.749 | S | S | . | * | trans | -173.4 | 28.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | R1023 | R1023-G1538 PolarHBondContact NH1-O 3.38Š| ||
| 1539 | N | 40.7 | Very low | 36.1 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | trans | -51.9 | 168.1 | -173 | -57.9 | -0.8 | 0 | 0 | 0 | 117.4 | R1023 | R1023-N1539 PolarHBondContact NH2-O 2.64Š| ||
| 1540 | I | 35.8 | Very low | 36.2 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 55% | 0.549 | 75% | 0.754 | S | S | . | * | trans | -144.5 | 141.2 | 161.6 | -63.9 | -173.8 | 0 | 0 | 0 | 110 | ||||
| 1541 | Y | 36.6 | Very low | 36.2 | Very low | 208 Ų | 208 | 133.4 Ų | 133.4 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | trans | -107.9 | 163.4 | 177 | -62.7 | -106.6 | 0 | 0 | 0 | 112.7 | ||||
| 1542 | I | 39.5 | Very low | 36.6 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -142 | 148.7 | 153.3 | -61.4 | -173.3 | 0 | 0 | 0 | 109.2 | ||||
| 1543 | A | 37.7 | Very low | 36.7 | Very low | 87 Ų | 87 | 146.3 Ų | 146.3 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | trans | -130.4 | 173.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1544 | Q | 40.2 | Very low | 36.9 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -166 | 125.4 | 159.5 | -115.2 | 165.5 | 66.9 | 0 | 0 | 117 | ||||
| 1545 | N | 39 | Very low | 37 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | 34.3 | 136.4 | 142.9 | -57.1 | -23.5 | 0 | 0 | 0 | 123.5 | ||||
| 1546 | G | 36.8 | Very low | 36.9 | Very low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | -163.1 | -11.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1547 | S | 33 | Very low | 36.7 | Very low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 55.2 | 118.3 | 164.9 | 62.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1548 | V | 30.7 | Very low | 36.6 | Very low | 136 Ų | 136 | 140 Ų | 140 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | 65.5 | 123.7 | 133.5 | -176.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1549 | V | 33 | Very low | 36.6 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | -169.4 | 159.5 | 122.4 | 143.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1550 | R | 34.4 | Very low | 36.4 | Very low | 223 Ų | 223 | 146.6 Ų | 146.6 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -111.4 | 149.2 | -151.2 | -163.6 | -173 | -156.5 | 160 | 5.9 | 114.9 | ||||
| 1551 | T | 38.8 | Very low | 36.2 | Very low | 123 Ų | 123 | 150 Ų | 150 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | 176.4 | 173.2 | 132.5 | 26 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1552 | R | 39.1 | Very low | 36.2 | Very low | 231 Ų | 231 | 147 Ų | 147 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | cis | -129.5 | -108.9 | -4 | -142.9 | 151.9 | -150.5 | -157.5 | 3.7 | 114.8 | ||||
| 1553 | R | 37 | Very low | 36 | Very low | 240 Ų | 240 | 144.1 Ų | 144.1 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -175.9 | 165.2 | -162.9 | -89.7 | -167.6 | 177.6 | 169.4 | -3.3 | 109.3 | ||||
| 1554 | A | 36.2 | Very low | 36.1 | Very low | 82 Ų | 82 | 145.7 Ų | 145.7 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | cis | 177.3 | 164.8 | -21 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1555 | C | 36.3 | Very low | 36.1 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 91% | 0.905 | 81% | 0.812 | S | S | * | * | trans | -165.6 | 161.5 | 137.9 | -115.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1556 | V | 34.2 | Very low | 36 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | -151.8 | 142.5 | -165.8 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1557 | A | 37 | Very low | 35.9 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -172.8 | 161.3 | 151.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1558 | D | 36 | Very low | 36.1 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | cis | -157.8 | 154.8 | -48.6 | -160.8 | 33.6 | 0 | 0 | 0 | 111.9 | ||||
| 1559 | N | 36.1 | Very low | 36.4 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | trans | 10.6 | 128.8 | 165.1 | -70.8 | -61.9 | 0 | 0 | 0 | 123.3 | ||||
| 1560 | L | 36.8 | Very low | 36.7 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | -167.6 | 175.3 | 114.1 | -108.8 | 147.7 | 0 | 0 | 0 | 113.8 | |||||
| 1561 | K | 31.2 | Very low | 36.6 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -158.8 | 124.5 | -145.9 | 172.4 | -171.7 | 178.6 | -178.6 | 0 | 115.4 | ||||
| 1562 | V | 37.2 | Very low | 36.3 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -147.1 | 131.1 | 163.5 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1563 | P | 36.2 | Very low | 36.2 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | -127.1 | 163 | 172.1 | 40.8 | -29.6 | 0 | 0 | 0 | 114.6 | ||||
| 1564 | S | 38 | Very low | 35.9 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | 175 | 161.3 | 142.3 | 37.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1565 | P | 40.9 | Very low | 35.7 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | -139.8 | 177.5 | -150.3 | 43.9 | -26.4 | 0 | 0 | 0 | 118.6 | ||||
| 1566 | G | 37.5 | Very low | 35.4 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | 166.9 | 154.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1567 | L | 34.7 | Very low | 35.3 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | cis | -165.4 | 139 | -9.5 | -163.6 | 75.2 | 0 | 0 | 0 | 111.9 | ||||
| 1568 | L | 37.3 | Very low | 34.9 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | 60.9 | 141 | 163.9 | -79.9 | 159 | 0 | 0 | 0 | 119.5 | R1570 | L1568-R1570 HydrophobicContact CD2-CG 4.19Š| ||
| 1569 | G | 37.2 | Very low | 34.6 | Very low | 62 Ų | 62 | 139.7 Ų | 139.7 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | cis | -160 | 148.2 | -5.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1570 | R | 37.8 | Very low | 34.5 | Very low | 221 Ų | 221 | 137.4 Ų | 137.4 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | 92.1 | 144.4 | 83.1 | -81.1 | -174.1 | 176.3 | -174.1 | 2.2 | 114 | L1568 | L1568-R1570 HydrophobicContact CD2-CG 4.19Š| |||
| 1571 | H | 33.6 | Very low | 34.2 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | cis | -176.5 | 118.8 | -27.7 | -130.1 | -116.1 | 0 | 0 | 0 | 107.3 | ||||
| 1572 | L | 32.3 | Very low | 34.1 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 64% | 0.644 | 78% | 0.777 | S | S | * | * | 64.5 | 107 | 96.7 | -155.4 | -179.3 | 0 | 0 | 0 | 117.5 | |||||
| 1573 | K | 36.3 | Very low | 33.8 | Very low | 199 Ų | 199 | 137.8 Ų | 137.8 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | trans | 173 | 143.2 | 148.6 | -94.5 | 154.5 | -175.9 | -176.8 | 0 | 109.4 | ||||
| 1574 | K | 31.1 | Very low | 33.8 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | cis | 98.6 | 119.2 | 6.2 | -160.7 | 178.8 | -176.1 | -176.5 | 0 | 117.5 | ||||
| 1575 | L | 31.9 | Very low | 33.5 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | trans | 84 | 141.2 | 159.8 | -79.2 | 159.1 | 0 | 0 | 0 | 121.8 | ||||
| 1576 | D | 29.4 | Very low | 33.4 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | trans | 53.8 | 129.1 | 151.6 | -51.9 | -33 | 0 | 0 | 0 | 122.9 | ||||
| 1577 | T | 33.2 | Very low | 33.6 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | 167.7 | 136.7 | 102.1 | -63.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1578 | L | 28.9 | Very low | 33.4 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -35 | 149.6 | 172.3 | -72.8 | 135.5 | 0 | 0 | 0 | 121.3 | ||||
| 1579 | A | 28.7 | Very low | 33.2 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | trans | 72.2 | 129.2 | 138.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1580 | G | 34.3 | Very low | 33 | Very low | 81 Ų | 81 | 144.6 Ų | 144.6 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | trans | -176.2 | 76.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1581 | T | 29.7 | Very low | 32.7 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | trans | -88.8 | 135 | -175.8 | 48.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 1582 | R | 30.3 | Very low | 32.8 | Very low | 217 Ų | 217 | 140.5 Ų | 140.5 | 82% | 0.819 | 75% | 0.753 | S | S | * | * | trans | -173.7 | 129.4 | 144.5 | -102.4 | 176.3 | 161.6 | 177.5 | -8.3 | 108 | ||||
| 1583 | E | 31.5 | Very low | 32.8 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | 56.5 | 127.8 | 71.6 | -54 | 177.7 | 131.3 | 0 | 0 | 111.3 | |||||
| 1584 | E | 34.8 | Very low | 32.6 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | cis | -134.4 | 145.4 | 40 | -72.9 | 178.1 | 122.4 | 0 | 0 | 112.3 | ||||
| 1585 | N | 33.2 | Very low | 33 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 66% | 0.658 | 76% | 0.757 | S | S | * | * | 57.3 | 139.5 | 86.5 | -49.9 | -52.2 | 0 | 0 | 0 | 114.2 | |||||
| 1586 | V | 38.3 | Very low | 33.2 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | cis | -147.4 | 143.7 | 37.6 | 171.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1587 | P | 40.8 | Very low | 33.5 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | trans | -106.1 | -177.7 | 170 | 40.5 | -33.5 | 0 | 0 | 0 | 113.5 | ||||
| 1588 | L | 32 | Very low | 33.5 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | 162.8 | 143 | 134.3 | -87.8 | 158.7 | 0 | 0 | 0 | 116.1 | ||||
| 1589 | N | 32.4 | Very low | 33.7 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 68.3 | 149.5 | 145.8 | -66.5 | -12.4 | 0 | 0 | 0 | 121.3 | ||||
| 1590 | T | 33 | Very low | 33.9 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | cis | -162.4 | 154.4 | -8.5 | 18.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1591 | L | 30.9 | Very low | 33.8 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | trans | 1.3 | 147.8 | 154.1 | -77.1 | 66.6 | 0 | 0 | 0 | 120.2 | ||||
| 1592 | F | 36.2 | Very low | 33.9 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | -165.1 | 130 | 72.6 | -110 | -92 | 0 | 0 | 0 | 117.6 | |||||
| 1593 | K | 32.6 | Very low | 33.9 | Very low | 184 Ų | 184 | 147.9 Ų | 147.9 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | 22.3 | 133.4 | 147.5 | -55.3 | -178.7 | -175 | -179.4 | 0 | 123.4 | ||||
| 1594 | G | 32.1 | Very low | 33.8 | Very low | 77 Ų | 77 | 147.1 Ų | 147.1 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 166.2 | 108.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1595 | P | 39.1 | Very low | 33.8 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -123.4 | 157.5 | -178.3 | 40.1 | -29.4 | 0 | 0 | 0 | 115.9 | ||||
| 1596 | F | 35.8 | Very low | 33.6 | Very low | 201 Ų | 201 | 144.4 Ų | 144.4 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | -173.9 | 151.9 | 134.1 | -106 | -68.3 | 0 | 0 | 0 | 113.7 | ||||
| 1597 | S | 35.1 | Very low | 33.4 | Very low | 92 Ų | 92 | 146 Ų | 146 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | trans | 12.9 | 117.8 | 163.4 | -66.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1598 | T | 32.9 | Very low | 33 | Very low | 128 Ų | 128 | 147.1 Ų | 147.1 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | 69.6 | 109.8 | 67.4 | 65.5 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1599 | E | 33.5 | Very low | 33 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | -163.2 | -165.1 | 94.7 | -128.1 | -173.4 | 155.7 | 0 | 0 | 113.7 | |||||
| 1600 | K | 32.4 | Very low | 33.1 | Very low | 195 Ų | 195 | 148 Ų | 148 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -119.7 | 141.8 | -161.1 | -52.3 | 166 | -174.8 | 164.6 | 0 | 114.2 | ||||
| 1601 | A | 34.3 | Very low | 33 | Very low | 103 Ų | 103 | 146.8 Ų | 146.8 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -178 | 144.5 | 130.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1602 | K | 30.5 | Very low | 33.3 | Very low | 209 Ų | 209 | 146 Ų | 146 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -126 | 114.3 | 168.9 | -81.5 | -168.7 | 174.2 | -171.8 | 0 | 110.4 | ||||
| 1603 | R | 29.9 | Very low | 33 | Very low | 243 Ų | 243 | 143.7 Ų | 143.7 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -155.6 | 120.3 | 163.6 | -86.7 | -169.2 | 172.2 | -176.4 | -3.8 | 109.2 | ||||
| 1604 | T | 30.4 | Very low | 33.2 | Very low | 139 Ų | 139 | 140 Ų | 140 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -167.9 | 156.2 | 171.6 | 0.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1605 | P | 35.1 | Very low | 33.1 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | -131.1 | -174.5 | -96.1 | 41.2 | -26.5 | 0 | 0 | 0 | 115 | |||||
| 1606 | T | 28.9 | Very low | 32.7 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -55.2 | 145.7 | 165.4 | 41.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1607 | L | 34.1 | Very low | 32.5 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -152.2 | 143.3 | 131.6 | -148.5 | 74.4 | 0 | 0 | 0 | 111.9 | ||||
| 1608 | V | 30.9 | Very low | 32.3 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | trans | -131.5 | 136.8 | 170.5 | 172.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1609 | T | 32.8 | Very low | 32.3 | Very low | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | trans | -170.2 | 128.4 | 156.5 | -87 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1610 | F | 34 | Very low | 32.3 | Very low | 175 Ų | 175 | 138 Ų | 138 | 77% | 0.768 | 78% | 0.781 | S | S | * | * | trans | -2.4 | 134.8 | 149 | -49.4 | -83.4 | 0 | 0 | 0 | 118.6 | ||||
| 1611 | A | 32.2 | Very low | 32.3 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | 82.2 | 166.1 | 61.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1612 | P | 36.4 | Very low | 32.2 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | -136.2 | -174.4 | -98.9 | 38.9 | -19.8 | 0 | 0 | 0 | 117.1 | |||||
| 1613 | C | 29.5 | Very low | 32.3 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 75.5 | 172 | 152.4 | -86.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1614 | P | 36.6 | Very low | 32.7 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | cis | -151.2 | 179.2 | -31.1 | 39.9 | -19.5 | 0 | 0 | 0 | 119.1 | ||||
| 1615 | V | 31 | Very low | 32.8 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | 62.8 | 157.1 | 155.3 | -136.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 1616 | V | 30.4 | Very low | 32.6 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | 84.9 | 109.6 | 161.7 | -161.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1617 | A | 32 | Very low | 32.8 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | 76.7 | 152.3 | 55.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1618 | E | 29.8 | Very low | 32.5 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -162.4 | 170.5 | 13.1 | -150.1 | 169 | -172.6 | 0 | 0 | 111.9 | ||||
| 1619 | H | 33.6 | Very low | 32.6 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | 65.6 | 155.3 | 159.3 | -65.3 | -34.4 | 0 | 0 | 0 | 120.5 | ||||
| 1620 | S | 33.4 | Very low | 32.4 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | cis | -165.5 | 132.4 | -19.9 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1621 | A | 33 | Very low | 32.3 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 28.4 | 140.3 | 143.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1622 | V | 32.7 | Very low | 32.2 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | -162.6 | 146 | 121.8 | 138.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1623 | K | 32.7 | Very low | 32.2 | Very low | 194 Ų | 194 | 135 Ų | 135 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -138.6 | 165.5 | 172.8 | -116 | 175.9 | -174.5 | 172.6 | 0 | 106.6 | ||||
| 1624 | P | 37 | Very low | 32.4 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | -159.9 | -176.3 | 57.8 | 43.5 | -21.6 | 0 | 0 | 0 | 118.4 | |||||
| 1625 | S | 32.9 | Very low | 32.1 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 67.9 | 148.7 | 154.7 | -148.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1626 | G | 31.4 | Very low | 32.3 | Very low | 60 Ų | 60 | 141.8 Ų | 141.8 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | cis | 158.2 | 179.6 | -6.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1627 | T | 33.2 | Very low | 32.2 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | trans | 93.3 | 147.8 | 172.4 | -32.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1628 | R | 27.3 | Very low | 32.3 | Very low | 233 Ų | 233 | 143.8 Ų | 143.8 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -128.1 | 138.1 | -169.2 | 162.5 | -150.1 | -85.9 | 178.8 | -8.6 | 109.5 | ||||
| 1629 | L | 33.1 | Very low | 32.3 | Very low | 171 Ų | 171 | 142 Ų | 142 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | -161.3 | 178 | 161.1 | -111.3 | 165.5 | 0 | 0 | 0 | 113.8 | ||||
| 1630 | K | 28.7 | Very low | 32 | Very low | 178 Ų | 178 | 141 Ų | 141 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | trans | -119.4 | 154.9 | -162.7 | -53.7 | 175 | 178.4 | -179.3 | 0 | 114.7 | ||||
| 1631 | H | 30.7 | Very low | 31.6 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | trans | 163 | 137.7 | 134.6 | -102.3 | -89.1 | 0 | 0 | 0 | 108.3 | ||||
| 1632 | T | 31.5 | Very low | 31.4 | Very low | 126 Ų | 126 | 147 Ų | 147 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | cis | 92.6 | 100.9 | 13 | -40.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1633 | A | 35.1 | Very low | 31.1 | Very low | 82 Ų | 82 | 148.4 Ų | 148.4 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -165.3 | 118.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1634 | E | 33.7 | Very low | 30.8 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | 79.3 | 144.5 | 85.6 | -73.9 | 172.2 | 179.6 | 0 | 0 | 113.4 | |||||
| 1635 | Q | 32.1 | Very low | 30.3 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | cis | -151.9 | 168.5 | 14.5 | -122 | 176.5 | -50 | 0 | 0 | 107.8 | ||||
| 1636 | E | 34.1 | Very low | 30.1 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | cis | -148 | -102.7 | -4.8 | -164.2 | 173.5 | -98.1 | 0 | 0 | 113.1 | ||||
| 1637 | S | 29.3 | Very low | 29.9 | Very low | 91 Ų | 91 | 155.2 Ų | 155.2 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -164.4 | -167.5 | -168.8 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1638 | M | 32.8 | Very low | 29.7 | Very low | 162 Ų | 162 | 156.1 Ų | 156.1 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | cis | -163.4 | 152.3 | 14 | -140.8 | -160.5 | -176.3 | 0 | 0 | 114.2 | ||||
| 1639 | V | 31.2 | Very low | 29.8 | Very low | 114 Ų | 114 | 153 Ų | 153 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | 65 | 130.6 | 140.2 | 154.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1640 | D | 25.5 | Very low | 29.4 | Very low | 138 Ų | 138 | 154.4 Ų | 154.4 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 80.8 | 133.4 | 150.2 | -112.7 | -49.2 | 0 | 0 | 0 | 126.8 | ||||
| 1641 | S | 25.8 | Very low | 29.7 | Very low | 93 Ų | 93 | 155.2 Ų | 155.2 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | 74.2 | 132.5 | 134.5 | -89 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 1642 | R | 29.6 | Very low | 29.4 | Very low | 232 Ų | 232 | 149.9 Ų | 149.9 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | 93.3 | 106.4 | 149.5 | -67.9 | 171.3 | -173.8 | -168.3 | 1.8 | 122.3 | ||||
| 1643 | L | 25.4 | Very low | 29.4 | Very low | 177 Ų | 177 | 152.1 Ų | 152.1 | 93% | 0.927 | 79% | 0.789 | S | S | * | * | -1.8 | 110.2 | 125.3 | -77.1 | 154.1 | 0 | 0 | 0 | 119.2 | |||||
| 1644 | S | 26 | Very low | 29 | Very low | 111 Ų | 111 | 154 Ų | 154 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 175.1 | 115.9 | 133.8 | 51.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1645 | R | 26.9 | Very low | 28.7 | Very low | 237 Ų | 237 | 149.8 Ų | 149.8 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | 76.7 | 94.5 | 61.6 | -173.2 | -169.6 | 173.8 | 169.8 | 1.7 | 113.3 | |||||
| 1646 | E | 29.5 | Very low | 28.5 | Very low | 191 Ų | 191 | 147.3 Ų | 147.3 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -153.5 | 164.1 | 152.2 | -118.4 | 169.8 | -151.4 | 0 | 0 | 109.8 | ||||
| 1647 | S | 25.7 | Very low | 28.3 | Very low | 95 Ų | 95 | 145.7 Ų | 145.7 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | -158.6 | 128.2 | -116.8 | 48.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1648 | M | 29.1 | Very low | 28.3 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 84% | 0.837 | 80% | 0.801 | S | S | * | * | trans | -160.9 | 140.7 | 167.7 | -101.9 | 175.5 | 152.9 | 0 | 0 | 108.1 | ||||
| 1649 | E | 30 | Very low | 28.3 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | cis | -150.5 | 150.2 | -18.7 | -150.1 | 161.5 | -152.4 | 0 | 0 | 108.7 | ||||
| 1650 | F | 25.1 | Very low | 28.2 | Very low | 202 Ų | 202 | 152.3 Ų | 152.3 | 89% | 0.886 | 81% | 0.813 | S | S | * | * | trans | -95.2 | 119.3 | -173.7 | -119 | -98.1 | 0 | 0 | 0 | 111 | ||||
| 1651 | H | 34.1 | Very low | 28.3 | Very low | 195 Ų | 195 | 153 Ų | 153 | 90% | 0.903 | 81% | 0.812 | S | S | * | * | trans | -139.3 | 119.4 | 151.9 | -96.3 | -75.6 | 0 | 0 | 0 | 108.2 | ||||
| 1652 | G | 25.8 | Very low | 28.4 | Very low | 65 Ų | 65 | 157.2 Ų | 157.2 | 67% | 0.67 | 83% | 0.826 | S | S | * | * | trans | -120.2 | 162 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1653 | D | 29.9 | Very low | 28.3 | Very low | 173 Ų | 173 | 155.2 Ų | 155.2 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -125.3 | 126.5 | 160.5 | -103.5 | -44.5 | 0 | 0 | 0 | 108.4 | ||||
| 1654 | S | 26.5 | Very low | 28.6 | Very low | 121 Ų | 121 | 155.7 Ų | 155.7 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -102.4 | 115 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1655 | A | 28.5 | Very low | 28.8 | Very low | 95 Ų | 95 | 152.6 Ų | 152.6 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -130.5 | 140 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1656 | P | 27.9 | Very low | 29.2 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | trans | -84.3 | 153.5 | -170.6 | 34.2 | -35.7 | 0 | 0 | 0 | 112.6 | ||||
| 1657 | S | 30.4 | Very low | 29.3 | Very low | 124 Ų | 124 | 150.7 Ų | 150.7 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -106.6 | 70.5 | 155.7 | 62.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 1658 | D | 28.1 | Very low | 29.6 | Very low | 135 Ų | 135 | 153.4 Ų | 153.4 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -69.9 | 122.5 | 156.3 | -62.9 | -58.3 | 0 | 0 | 0 | 107.3 | ||||
| 1659 | E | 32.5 | Very low | 29.7 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -158.5 | 89.5 | 148.9 | -119.2 | 170.4 | -142 | 0 | 0 | 111.5 | ||||
| 1660 | E | 29.9 | Very low | 29.8 | Very low | 182 Ų | 182 | 150.4 Ų | 150.4 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | 40.1 | 93.6 | 142.2 | -56.1 | -167.1 | 148 | 0 | 0 | 119.8 | ||||
| 1661 | E | 26.9 | Very low | 30.1 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | 19 | 110.3 | 111.6 | -68.1 | -164.1 | 148.5 | 0 | 0 | 118.5 | W1663 | E1661-W1663 PolarHBondContact OE1-NE1 3.45Š| |||
| 1662 | L | 28.8 | Very low | 30.2 | Very low | 181 Ų | 181 | 146.7 Ų | 146.7 | 95% | 0.948 | 80% | 0.802 | S | S | * | * | trans | -119.7 | 87.5 | 147.5 | -109 | 171.6 | 0 | 0 | 0 | 109.8 | M1664 | L1662-M1664 PolarHBondContact O-N 3.48Š| ||
| 1663 | W | 27.9 | Very low | 30.6 | Very low | 189 Ų | 189 | 148.9 Ų | 148.9 | 72% | 0.716 | 80% | 0.804 | S | S | * | * | trans | -70.6 | 123.5 | 180 | -83.8 | 73.8 | 0 | 0 | 0 | 112.6 | E1661 | E1661-W1663 PolarHBondContact OE1-NE1 3.45Š| ||
| 1664 | M | 31.6 | Very low | 30.5 | Very low | 187 Ų | 187 | 149.5 Ų | 149.5 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -141.8 | 91.9 | 142.5 | -78.1 | -56.8 | -68.3 | 0 | 0 | 108.3 | L1662 | L1662-M1664 PolarHBondContact O-N 3.48Š| ||
| 1665 | G | 30.2 | Very low | 30.9 | Very low | 47 Ų | 47 | 149.4 Ų | 149.4 | 49% | 0.485 | 80% | 0.798 | S | S | . | * | P | Polyproline II helix | trans | -83.2 | 160.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | W1667 | G1665-W1667 PolarHBondContact O-N 3.42Š|
| 1666 | P | 34.8 | Very low | 31 | Very low | 130 Ų | 130 | 153.6 Ų | 153.6 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 118.9 | -178.5 | 31.1 | -33.9 | 0 | 0 | 0 | 112.5 | ||
| 1667 | W | 31.8 | Very low | 30.9 | Very low | 257 Ų | 257 | 158.7 Ų | 158.7 | 97% | 0.973 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -81 | 118.3 | 166.3 | -98.9 | 58 | 0 | 0 | 0 | 110.5 | G1665 | G1665-W1667 PolarHBondContact O-N 3.42Š|
| 1668 | N | 32.5 | Very low | 30.9 | Very low | 152 Ų | 152 | 160.5 Ų | 160.5 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | -134.1 | 102.8 | 179.7 | -147.8 | -2.5 | 0 | 0 | 0 | 109.7 | ||||
| 1669 | S | 31.2 | Very low | 31.1 | Very low | 111 Ų | 111 | 161.8 Ų | 161.8 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | 155 | 104.1 | 155.2 | -76.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1670 | L | 32.7 | Very low | 31 | Very low | 164 Ų | 164 | 160.3 Ų | 160.3 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -167.2 | 104 | 143.4 | -109.5 | 148.9 | 0 | 0 | 0 | 112.2 | ||||
| 1671 | H | 31.4 | Very low | 31 | Very low | 168 Ų | 168 | 159 Ų | 159 | 78% | 0.778 | 82% | 0.817 | S | S | * | * | 18.5 | 122.5 | 127.7 | -100.4 | -98.4 | 0 | 0 | 0 | 116.4 | |||||
| 1672 | I | 34.8 | Very low | 31.3 | Very low | 150 Ų | 150 | 159.4 Ų | 159.4 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | -163.2 | 152.1 | 56.1 | -97.6 | 152.2 | 0 | 0 | 0 | 111.1 | |||||
| 1673 | P | 34.7 | Very low | 31.5 | Very low | 111 Ų | 111 | 157.9 Ų | 157.9 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | trans | -95.2 | 161.7 | -169.2 | 37.4 | -37.9 | 0 | 0 | 0 | 115.7 | ||||
| 1674 | M | 27 | Very low | 31.7 | Very low | 186 Ų | 186 | 155.7 Ų | 155.7 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -105.7 | 99.5 | 168.9 | -162.5 | -176.5 | 84.7 | 0 | 0 | 112.7 | ||||
| 1675 | T | 35.2 | Very low | 31.7 | Very low | 119 Ų | 119 | 153.3 Ų | 153.3 | 73% | 0.73 | 81% | 0.814 | S | S | * | * | trans | -129.1 | 121.1 | 154.2 | 63.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1676 | K | 30.5 | Very low | 31.9 | Very low | 183 Ų | 183 | 162.2 Ų | 162.2 | 80% | 0.796 | 84% | 0.842 | S | S | * | * | 167.3 | 169.3 | 92.4 | -102.6 | -171.9 | 146.9 | -127.6 | 0 | 108.8 | |||||
| 1677 | L | 25.9 | Very low | 31.6 | Very low | 215 Ų | 215 | 165.1 Ų | 165.1 | 100% | 1.126 | 84% | 0.842 | S | S | * | * | cis | 71.1 | 0 | 9.6 | -128 | -177.4 | 0 | 0 | 0 | 118.5 |
Retrieved 1,677 of 1,677 residues in 1295.2 ms
(Link to these results)