| 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 | 46 | Very low | 46.4 | Very low | 252 Ų | 252 | 132.1 Ų | 132.1 | 100% | 1.241 | 80% | 0.798 | S | S | * | * | 0 | 116 | 0 | -63.2 | 157.5 | 164.1 | 0 | 0 | 107 | |||||
| 2 | G | 43.3 | Very low | 45.4 | Very low | 74 Ų | 74 | 127.3 Ų | 127.3 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | cis | -165.9 | 128.8 | -12.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 3 | S | 48.9 | Very low | 44.5 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -95.5 | 132.3 | -171.4 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 4 | V | 51.2 | Low | 44 | Very low | 140 Ų | 140 | 125.5 Ų | 125.5 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -160.6 | 113.6 | 157.2 | -102.4 | 0 | 0 | 0 | 0 | 105 | ||||
| 5 | S | 47.4 | Very low | 43.5 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 66% | 0.657 | 81% | 0.813 | S | S | * | * | cis | 76.1 | 136.3 | 29.4 | -147.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 6 | N | 48.8 | Very low | 42.8 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 65% | 0.652 | 81% | 0.809 | S | S | * | * | trans | 73.4 | 146.4 | 167.1 | -63.8 | 29.5 | 0 | 0 | 0 | 115.9 | ||||
| 7 | Q | 57 | Low | 42.4 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 65% | 0.65 | 81% | 0.808 | S | S | * | * | cis | -164.7 | 172.6 | -3.3 | -109.8 | 167.9 | 157.5 | 0 | 0 | 107.6 | ||||
| 8 | Q | 50.7 | Low | 42 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 65% | 0.654 | 81% | 0.808 | S | S | * | * | cis | -148.7 | 161.6 | 6.9 | -155.7 | 100 | 31.6 | 0 | 0 | 111.9 | ||||
| 9 | F | 34.9 | Very low | 41.7 | Very low | 195 Ų | 195 | 132.2 Ų | 132.2 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -56.6 | 168.9 | 152.3 | -55 | -93.7 | 0 | 0 | 0 | 112.7 | ||||
| 10 | A | 44.5 | Very low | 42 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | cis | -138.2 | 172.1 | 14 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 11 | G | 38 | Very low | 42.1 | Very low | 80 Ų | 80 | 130 Ų | 130 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | cis | 77.6 | 126 | 39.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 12 | G | 33.8 | Very low | 42.4 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | cis | 171.4 | 146.6 | -4.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 13 | C | 34.4 | Very low | 42.4 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | trans | 29.3 | 112 | 157.4 | -57.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 14 | A | 37.5 | Very low | 42.5 | Very low | 99 Ų | 99 | 130 Ų | 130 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | 43.4 | 128 | 124.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 15 | K | 36 | Very low | 42.5 | Very low | 218 Ų | 218 | 129 Ų | 129 | 95% | 0.948 | 78% | 0.781 | S | S | * | * | -157.6 | 180 | 114.4 | -118.9 | -168.3 | 175 | -166.5 | 0 | 113.4 | |||||
| 16 | A | 31.8 | Very low | 42.9 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -124.5 | 175.2 | -153.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 17 | A | 37.3 | Very low | 42.9 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | 70.7 | 147.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 18 | E | 35.2 | Very low | 42.5 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | cis | -149.2 | -174.5 | 7.6 | -160.5 | 165.3 | 95.7 | 0 | 0 | 110.5 | ||||
| 19 | E | 36.4 | Very low | 42.3 | Very low | 177 Ų | 177 | 131 Ų | 131 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | 84.6 | 115.2 | 163.9 | -52.9 | -153.7 | 107.5 | 0 | 0 | 119 | ||||
| 20 | A | 46.1 | Very low | 43 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -83.4 | 157 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 21 | P | 45.3 | Very low | 43.3 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | -119 | 171.1 | 108.6 | -6.6 | 25.9 | 0 | 0 | 0 | 113.6 | |||||
| 22 | E | 52.2 | Low | 44.1 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | trans | -51.8 | 137.5 | 169.9 | -57.2 | 172.7 | 88.5 | 0 | 0 | 112.4 | ||||
| 23 | E | 43.3 | Very low | 45.1 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -133 | 118.7 | 131.2 | -71.6 | -154.8 | 155.5 | 0 | 0 | 109.6 | ||||
| 24 | A | 51.3 | Low | 46.2 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 65% | 0.653 | 81% | 0.814 | S | S | * | * | trans | -78.6 | 158 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | E26 | A24-E26 PolarHBondContact O-N 3.24Š| ||
| 25 | P | 49.9 | Very low | 47.3 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -68.3 | 119.3 | -161.8 | 25.9 | -35.4 | 0 | 0 | 0 | 114.3 | D27 | P25-D27 VanDerWaalsContact C-N 3.25Å; P25-D27 PolarHBondContact O-N 3.07Å; P25-D27 VanDerWaalsContact O-N 3.07Å | ||
| 26 | E | 56 | Low | 49.1 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -80.2 | 36.9 | -179.3 | 60.7 | 172.9 | 151.8 | 0 | 0 | 115.3 | A24 | A24-E26 PolarHBondContact O-N 3.24Š|
| 27 | D | 49.1 | Very low | 51.6 | Low | 160 Ų | 160 | 136.4 Ų | 136.4 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -136 | 44.3 | 168.8 | -153.6 | -106 | 0 | 0 | 0 | 112.9 | P25 | P25-D27 VanDerWaalsContact C-N 3.25Å; P25-D27 PolarHBondContact O-N 3.07Å; P25-D27 VanDerWaalsContact O-N 3.07Å | ||
| 28 | A | 47.9 | Very low | 54.1 | Low | 88 Ų | 88 | 133.8 Ų | 133.8 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -109 | 4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 29 | A | 48.2 | Very low | 56.9 | Low | 101 Ų | 101 | 130 Ų | 130 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -100.1 | 13.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 30 | R | 49.2 | Very low | 59.7 | Low | 247 Ų | 247 | 121.6 Ų | 121.6 | 93% | 0.932 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -130.4 | 39.6 | -178.3 | -160.1 | 169.2 | 156.5 | -168.7 | -8.9 | 114.6 | ||
| 31 | A | 51.3 | Low | 62 | Low | 96 Ų | 96 | 118.8 Ų | 118.8 | 79% | 0.793 | 67% | 0.671 | S | S | * | * | trans | -123.3 | 29.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 32 | A | 53.8 | Low | 64.4 | Low | 95 Ų | 95 | 113.1 Ų | 113.1 | 79% | 0.785 | 64% | 0.635 | S | S | * | * | trans | -128 | 40.3 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 33 | D | 55.6 | Low | 66.5 | Low | 154 Ų | 154 | 108 Ų | 108 | 82% | 0.824 | 61% | 0.613 | S | S | * | * | trans | -152.3 | 37.5 | 154.8 | -160.2 | -133.1 | 0 | 0 | 0 | 112.5 | P35 | D33-P35 WeakPolarHBondContact O-CD 3.33Š| ||
| 34 | E | 57.3 | Low | 69.1 | Low | 169 Ų | 169 | 99 Ų | 99 | 79% | 0.79 | 57% | 0.571 | S | S | * | * | trans | -79.2 | 116.6 | 161.1 | -165.7 | -176.8 | 108.7 | 0 | 0 | 107.8 | Q36 | E34-Q36 PolarHBondContact O-N 3.45Š| ||
| 35 | P | 59.9 | Low | 71.2 | Confident | 75 Ų | 75 | 99.5 Ų | 99.5 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | trans | -68.1 | 103.7 | -179.7 | 27.3 | -33.6 | 0 | 0 | 0 | 108.6 | D33 L37 | D33-P35 WeakPolarHBondContact O-CD 3.33Å; P35-L37 WeakPolarHBondContact O-CG 3.33Å; P35-L37 PolarHBondContact O-N 2.75Å | ||
| 36 | Q | 73.4 | Confident | 73.4 | Confident | 150 Ų | 150 | 98.6 Ų | 98.6 | 70% | 0.701 | 54% | 0.539 | S | S | * | . | trans | -52.1 | 96.7 | -177.4 | -68.7 | -175.6 | -15.2 | 0 | 0 | 111.5 | E34 L38 | E34-Q36 PolarHBondContact O-N 3.45Å; Q36-L38 PolarHBondContact O-N 2.92Å | ||
| 37 | L | 83.9 | Confident | 75.4 | Confident | 110 Ų | 110 | 90.8 Ų | 90.8 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | trans | -79.4 | 107.1 | -179.5 | -65.6 | -173.6 | 0 | 0 | 0 | 108.4 | P35 I107 | P35-L37 WeakPolarHBondContact O-CG 3.33Å; P35-L37 PolarHBondContact O-N 2.75Å; L37-I107 HydrophobicContact CD2-CD1 3.26Å | ||
| 38 | L | 91 | Very high | 77.5 | Confident | 41 Ų | 41 | 85.9 Ų | 85.9 | 22% | 0.215 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 137.6 | -178.8 | -66.4 | 156.6 | 0 | 0 | 0 | 108.9 | Q36 R61 T96 F97 | Q36-L38 PolarHBondContact O-N 2.92Å; L38-R61 VanDerWaalsContact CD1-NH2 3.31Å; L38-T96 CarbonylContact O-C 3.54Å; L38-T96 VanDerWaalsContact O-CA 3.3Å; L38-T96 WeakPolarHBondContact O-CA 3.32Å; L38-F97 HydrophobicContact CB-CD1 4.03Å; L38-F97 HydrophobicContact CB-CD2 4.15Å; L38-F97 HydrophobicContact CB-CE1 3.6Å; L38-F97 HydrophobicContact CB-CE2 3.74Å; L38-F97 HydrophobicContact CB-CG 4.3Å; L38-F97 HydrophobicContact CB-CZ 3.45Å; L38-F97 VanDerWaalsContact CB-CZ 3.45Å; L38-F97 HydrophobicContact CD1-CD2 4.37Å; L38-F97 HydrophobicContact CD1-CE2 3.69Å; L38-F97 HydrophobicContact CD1-CZ 4.04Å; L38-F97 HydrophobicContact CG-CE2 4.38Å; L38-F97 HydrophobicContact CG-CZ 4.35Å; L38-F97 PolarHBondContact N-O 3.48Å; L38-F97 VanDerWaalsContact O-CD1 3.25Å; L38-F97 WeakPolarHBondContact O-CD1 3.26Å; L38-F97 PolarHBondContact O-N 2.83Å |
| 39 | H | 93.7 | Very high | 79.6 | Confident | 92 Ų | 92 | 83 Ų | 83 | 43% | 0.426 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139.2 | 173.8 | -161 | 83 | 0 | 0 | 0 | 110.5 | A62 | H39-A62 PolarHBondContact O-N 2.95Å |
| 40 | G | 94.5 | Very high | 81.6 | Confident | 1 Ų | 1 | 88.5 Ų | 88.5 | 1% | 0.01 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 156 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A60 F95 | G40-A60 CarbonylContact C-O 3.59Å; G40-A60 VanDerWaalsContact CA-O 3.24Å; G40-A60 WeakPolarHBondContact CA-O 3.21Å; G40-F95 PolarHBondContact N-O 3.32Å; G40-F95 PolarHBondContact O-N 3Å |
| 41 | A | 95.8 | Very high | 83.7 | Confident | 33 Ų | 33 | 81.9 Ų | 81.9 | 27% | 0.273 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 154.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | T59 A60 V93 E94 | A41-T59 PolarHBondContact O-N 3.39Å; A41-A60 HydrophobicContact CB-CB 4.45Å; A41-A60 PolarHBondContact N-O 3.29Å; A41-A60 PolarHBondContact O-N 3.25Å; A41-V93 WeakPolarHBondContact CA-O 3.36Å; A41-E94 HydrophobicContact CB-CG 4.33Å |
| 42 | G | 95.6 | Very high | 85.8 | Confident | 7 Ų | 7 | 77.5 Ų | 77.5 | 7% | 0.072 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.5 | -157.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S57 V93 | G42-S57 VanDerWaalsContact CA-O 3.22Å; G42-S57 WeakPolarHBondContact CA-O 3.35Å; G42-V93 PolarHBondContact N-O 3.28Å; G42-V93 PolarHBondContact O-N 3.08Å |
| 43 | I | 96.5 | Very high | 87.8 | Confident | 73 Ų | 73 | 75.9 Ų | 75.9 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.2 | 178.4 | 59.5 | 174.5 | 0 | 0 | 0 | 111.1 | K45 L56 S57 E91 | I43-K45 PolarHBondContact O-N 2.98Å; I43-K45 VanDerWaalsContact O-N 3.16Å; I43-L56 CarbonylContact O-C 3.58Å; I43-L56 WeakPolarHBondContact O-CA 3.2Å; I43-S57 PolarHBondContact N-O 3.19Å; I43-S57 PolarHBondContact O-N 3.4Å; I43-E91 CarbonylContact C-O 3.52Å; I43-E91 VanDerWaalsContact CA-O 3.26Å; I43-E91 WeakPolarHBondContact CA-O 3.36Å |
| 44 | C | 97.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 111.1 | 169.2 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | L56 L87 K88 G90 E91 | C44-L56 HydrophobicContact CB-CD2 4.11Å; C44-L87 HydrophobicContact CB-CB 4.05Å; C44-L87 HydrophobicContact CB-CD1 4.11Å; C44-L87 VanDerWaalsContact SG-CB 3.56Å; C44-K88 WeakPolarHBondContact CB-O 3.49Å; C44-G90 PolarHBondContact O-N 2.86Å; C44-E91 HydrophobicContact CB-CB 4.32Å; C44-E91 PolarHBondContact N-O 3.02Å |
| 45 | K | 96.3 | Very high | 91.7 | Very high | 90 Ų | 90 | 63.3 Ų | 63.3 | 39% | 0.391 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | -44 | -179.9 | -168.9 | 179.5 | -174.6 | 169 | 0 | 111.5 | I43 F55 D71 | I43-K45 PolarHBondContact O-N 2.98Å; I43-K45 VanDerWaalsContact O-N 3.16Å; K45-F55 WeakPolarHBondContact CB-O 3.23Å; K45-F55 PolarHBondContact N-O 3.39Å; K45-D71 VanDerWaalsContact CD-OD1 3.27Å; K45-D71 WeakPolarHBondContact CD-OD1 3.42Å; K45-D71 IonicContact NZ-OD1 3.81Å; K45-D71 PolarHBondContact NZ-OD1 2.96Å; K45-D71 IonicContact NZ-OD2 2.7Å; K45-D71 PolarHBondContact NZ-OD2 2.88Å |
| 46 | W | 95.8 | Very high | 93.4 | Very high | 100 Ų | 100 | 59.7 Ų | 59.7 | 38% | 0.379 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 153.3 | 169.5 | 57.8 | -95 | 0 | 0 | 0 | 110.2 | N48 F53 G54 F55 | W46-N48 HydrophobicContact CZ3-CB 4.23Å; W46-F53 HydrophobicContact CH2-CD2 4.16Å; W46-F53 AromaticContact CH2-CE2 3.94Å; W46-F53 HydrophobicContact CH2-CE2 3.94Å; W46-F53 HydrophobicContact CZ3-CD2 4.18Å; W46-F53 HydrophobicContact CZ3-CE2 4.19Å; W46-G54 CarbonylContact O-C 3.52Å; W46-G54 WeakPolarHBondContact O-CA 3.49Å; W46-F55 AromaticContact CE2-CD2 3.71Å; W46-F55 AromaticContact CH2-CD2 3.81Å; W46-F55 HydrophobicContact CH2-CD2 3.81Å; W46-F55 HydrophobicContact CH2-CE2 4.07Å; W46-F55 AromaticContact CZ2-CD2 3.26Å; W46-F55 HydrophobicContact CZ2-CD2 3.26Å; W46-F55 AromaticContact CZ2-CE2 3.69Å; W46-F55 HydrophobicContact CZ2-CE2 3.69Å; W46-F55 HydrophobicContact CZ2-CG 4.33Å; W46-F55 PolarHBondContact N-O 2.97Å; W46-F55 PolarHBondContact O-N 2.84Å |
| 47 | F | 96.5 | Very high | 94.6 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 10% | 0.101 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 119.9 | 175.7 | -167.9 | -89.2 | 0 | 0 | 0 | 111.8 | V49 V74 Q76 L79 S86 L87 | F47-V49 HydrophobicContact CD1-CG2 4.19Å; F47-V49 PolarHBondContact O-N 3.14Å; F47-V49 VanDerWaalsContact O-N 3.14Å; F47-V74 HydrophobicContact CD2-CG1 4.31Å; F47-Q76 HydrophobicContact CZ-CB 4.16Å; F47-L79 HydrophobicContact CE2-CD1 4Å; F47-L79 HydrophobicContact CZ-CD1 4.01Å; F47-S86 VanDerWaalsContact CE1-CA 3.48Å; F47-L87 HydrophobicContact CB-CB 4.09Å; F47-L87 HydrophobicContact CD2-CB 4.17Å; F47-L87 HydrophobicContact CD2-CD1 4.38Å; F47-L87 HydrophobicContact CD2-CG 4.4Å; F47-L87 HydrophobicContact CG-CB 4.13Å |
| 48 | N | 94.8 | Very high | 95.2 | Very high | 57 Ų | 57 | 48.2 Ų | 48.2 | 31% | 0.305 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 94.6 | 174.7 | -168 | -49.7 | 0 | 0 | 0 | 110.2 | W46 R50 M51 G52 F53 | W46-N48 HydrophobicContact CZ3-CB 4.23Å; N48-R50 PolarHBondContact O-N 2.89Å; N48-R50 VanDerWaalsContact O-N 3.12Å; N48-R50 PolarHBondContact OD1-N 2.85Å; N48-R50 VanDerWaalsContact OD1-N 3.1Å; N48-M51 HydrophobicContact CB-CB 4.27Å; N48-M51 HydrophobicContact CB-CE 4.25Å; N48-M51 WeakPolarHBondContact ND2-CE 3.16Å; N48-M51 PolarHBondContact O-N 2.94Å; N48-M51 VanDerWaalsContact O-N 3.11Å; N48-M51 PolarHBondContact OD1-N 3.07Å; N48-G52 PolarHBondContact O-N 3.4Å; N48-F53 PolarHBondContact N-O 2.86Å |
| 49 | V | 92.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 17% | 0.17 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.6 | -178.1 | -163.8 | 0 | 0 | 0 | 0 | 113.5 | F47 F84 S120 P124 | F47-V49 HydrophobicContact CD1-CG2 4.19Å; F47-V49 PolarHBondContact O-N 3.14Å; F47-V49 VanDerWaalsContact O-N 3.14Å; V49-F84 HydrophobicContact CG1-CE1 3.43Å; V49-F84 VanDerWaalsContact CG1-CE1 3.43Å; V49-F84 HydrophobicContact CG1-CZ 3.62Å; V49-S120 WeakPolarHBondContact CG1-OG 3.45Å; V49-S120 VanDerWaalsContact CG2-OG 3.32Å; V49-S120 WeakPolarHBondContact CG2-OG 3.39Å; V49-P124 HydrophobicContact CG1-CG 4.27Å |
| 50 | R | 89.1 | Confident | 95.3 | Very high | 217 Ų | 217 | 46 Ų | 46 | 82% | 0.819 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -34.9 | 178.5 | 177.9 | 177.2 | 170.9 | -171.9 | -6.7 | 112.6 | N48 | N48-R50 PolarHBondContact O-N 2.89Å; N48-R50 VanDerWaalsContact O-N 3.12Å; N48-R50 PolarHBondContact OD1-N 2.85Å; N48-R50 VanDerWaalsContact OD1-N 3.1Å |
| 51 | M | 93.2 | Very high | 95.1 | Very high | 108 Ų | 108 | 51.2 Ų | 51.2 | 53% | 0.532 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -14.2 | 179.4 | -59.4 | -158.9 | -73.6 | 0 | 0 | 113.2 | N48 F53 | N48-M51 HydrophobicContact CB-CB 4.27Å; N48-M51 HydrophobicContact CB-CE 4.25Å; N48-M51 WeakPolarHBondContact ND2-CE 3.16Å; N48-M51 PolarHBondContact O-N 2.94Å; N48-M51 VanDerWaalsContact O-N 3.11Å; N48-M51 PolarHBondContact OD1-N 3.07Å; M51-F53 HydrophobicContact CB-CD1 3.64Å; M51-F53 HydrophobicContact CB-CE1 3.44Å; M51-F53 VanDerWaalsContact CB-CE1 3.44Å; M51-F53 HydrophobicContact CB-CZ 4.23Å; M51-F53 HydrophobicContact CE-CE1 3.74Å; M51-F53 HydrophobicContact CE-CE2 4.1Å; M51-F53 HydrophobicContact CE-CZ 3.33Å; M51-F53 HydrophobicContact CG-CE1 4.22Å; M51-F53 HydrophobicContact SD-CE1 3.83Å; M51-F53 HydrophobicContact SD-CZ 3.98Å |
| 52 | G | 94.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 26.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N48 H75 Q76 | N48-G52 PolarHBondContact O-N 3.4Å; G52-H75 PolarHBondContact O-CD2 3.18Å; G52-H75 VanDerWaalsContact O-CD2 3.25Å; G52-Q76 WeakPolarHBondContact O-CB 3.47Å; G52-Q76 WeakPolarHBondContact O-CG 3.22Å; G52-Q76 PolarHBondContact O-N 3.43Å |
| 53 | F | 96.3 | Very high | 94 | Very high | 60 Ų | 60 | 56.9 Ų | 56.9 | 26% | 0.263 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 162.2 | 175.9 | 69 | -102 | 0 | 0 | 0 | 112.5 | W46 N48 M51 F73 V74 | W46-F53 HydrophobicContact CH2-CD2 4.16Å; W46-F53 AromaticContact CH2-CE2 3.94Å; W46-F53 HydrophobicContact CH2-CE2 3.94Å; W46-F53 HydrophobicContact CZ3-CD2 4.18Å; W46-F53 HydrophobicContact CZ3-CE2 4.19Å; N48-F53 PolarHBondContact N-O 2.86Å; M51-F53 HydrophobicContact CB-CD1 3.64Å; M51-F53 HydrophobicContact CB-CE1 3.44Å; M51-F53 VanDerWaalsContact CB-CE1 3.44Å; M51-F53 HydrophobicContact CB-CZ 4.23Å; M51-F53 HydrophobicContact CE-CE1 3.74Å; M51-F53 HydrophobicContact CE-CE2 4.1Å; M51-F53 HydrophobicContact CE-CZ 3.33Å; M51-F53 HydrophobicContact CG-CE1 4.22Å; M51-F53 HydrophobicContact SD-CE1 3.83Å; M51-F53 HydrophobicContact SD-CZ 3.98Å; F53-F73 HydrophobicContact CB-CE2 3.89Å; F53-F73 HydrophobicContact CB-CZ 3.94Å; F53-F73 AromaticContact CD2-CE2 3.96Å; F53-F73 HydrophobicContact CD2-CE2 3.96Å; F53-F73 HydrophobicContact CG-CE2 4.15Å; F53-F73 HydrophobicContact CG-CZ 4.44Å; F53-V74 CarbonylContact C-O 3.54Å; F53-V74 VanDerWaalsContact CA-O 3.23Å; F53-V74 WeakPolarHBondContact CA-O 3.43Å; F53-V74 WeakPolarHBondContact CB-O 3.31Å |
| 54 | G | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165 | -166.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | W46 V74 | W46-G54 CarbonylContact O-C 3.52Å; W46-G54 WeakPolarHBondContact O-CA 3.49Å; G54-V74 VanDerWaalsContact C-CG1 3.43Å; G54-V74 PolarHBondContact N-O 2.83Å; G54-V74 WeakPolarHBondContact O-CG1 3.24Å; G54-V74 PolarHBondContact O-N 3.03Å |
| 55 | F | 97.6 | Very high | 93.4 | Very high | 59 Ų | 59 | 62.1 Ų | 62.1 | 26% | 0.259 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 145.7 | 172.2 | -77.4 | -101.6 | 0 | 0 | 0 | 111 | K45 W46 D71 V72 F73 | K45-F55 WeakPolarHBondContact CB-O 3.23Å; K45-F55 PolarHBondContact N-O 3.39Å; W46-F55 AromaticContact CE2-CD2 3.71Å; W46-F55 AromaticContact CH2-CD2 3.81Å; W46-F55 HydrophobicContact CH2-CD2 3.81Å; W46-F55 HydrophobicContact CH2-CE2 4.07Å; W46-F55 AromaticContact CZ2-CD2 3.26Å; W46-F55 HydrophobicContact CZ2-CD2 3.26Å; W46-F55 AromaticContact CZ2-CE2 3.69Å; W46-F55 HydrophobicContact CZ2-CE2 3.69Å; W46-F55 HydrophobicContact CZ2-CG 4.33Å; W46-F55 PolarHBondContact N-O 2.97Å; W46-F55 PolarHBondContact O-N 2.84Å; F55-D71 HydrophobicContact CD1-CB 4.02Å; F55-V72 CarbonylContact C-O 3.55Å; F55-V72 WeakPolarHBondContact CA-O 3.5Å; F55-F73 HydrophobicContact CD1-CB 4.42Å; F55-F73 HydrophobicContact CD2-CD2 4.49Å; F55-F73 HydrophobicContact CE1-CB 4.02Å; F55-F73 HydrophobicContact CE1-CD2 4.4Å; F55-F73 AromaticContact CE2-CD2 3.95Å; F55-F73 HydrophobicContact CE2-CD2 3.95Å; F55-F73 HydrophobicContact CZ-CB 4.33Å; F55-F73 AromaticContact CZ-CD2 3.91Å; F55-F73 HydrophobicContact CZ-CD2 3.91Å |
| 56 | L | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 139.7 | 171.4 | -48.4 | 179.4 | 0 | 0 | 0 | 108.2 | I43 C44 D71 V72 V74 L87 V93 F95 V109 | I43-L56 CarbonylContact O-C 3.58Å; I43-L56 WeakPolarHBondContact O-CA 3.2Å; C44-L56 HydrophobicContact CB-CD2 4.11Å; L56-D71 CarbonylContact O-C 3.49Å; L56-D71 WeakPolarHBondContact O-CA 3.15Å; L56-V72 HydrophobicContact CB-CB 4.4Å; L56-V72 PolarHBondContact N-O 2.99Å; L56-V72 PolarHBondContact O-N 3.42Å; L56-V74 HydrophobicContact CD1-CB 4.27Å; L56-V74 HydrophobicContact CD2-CB 4.31Å; L56-V74 HydrophobicContact CD2-CG1 3.74Å; L56-V74 HydrophobicContact CG-CB 4.05Å; L56-V74 HydrophobicContact CG-CG1 3.84Å; L56-L87 HydrophobicContact CD2-CD1 3.57Å; L56-V93 HydrophobicContact CD1-CG2 4.16Å; L56-V93 HydrophobicContact CD2-CG2 4.06Å; L56-F95 HydrophobicContact CB-CE1 4.18Å; L56-F95 HydrophobicContact CB-CZ 4.4Å; L56-F95 HydrophobicContact CD1-CB 4.38Å; L56-F95 HydrophobicContact CD1-CD1 3.5Å; L56-F95 VanDerWaalsContact CD1-CD1 3.5Å; L56-F95 HydrophobicContact CD1-CD2 4.39Å; L56-F95 HydrophobicContact CD1-CE1 3.76Å; L56-F95 HydrophobicContact CD1-CG 3.84Å; L56-F95 HydrophobicContact CD1-CZ 4.32Å; L56-V109 HydrophobicContact CD1-CG1 4.09Å; L56-V109 HydrophobicContact CD1-CG2 4.03Å |
| 57 | S | 96.9 | Very high | 92.8 | Very high | 16 Ų | 16 | 63.2 Ų | 63.2 | 11% | 0.112 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 104.4 | 169.5 | -169.6 | 0 | 0 | 0 | 0 | 107.6 | G42 I43 T59 P69 | G42-S57 VanDerWaalsContact CA-O 3.22Å; G42-S57 WeakPolarHBondContact CA-O 3.35Å; I43-S57 PolarHBondContact N-O 3.19Å; I43-S57 PolarHBondContact O-N 3.4Å; S57-T59 PolarHBondContact O-N 2.94Å; S57-P69 WeakPolarHBondContact OG-CB 3.45Å |
| 58 | M | 96.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.015 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 114 | -179.7 | -173.9 | 171.3 | 51 | 0 | 0 | 109.9 | A60 R61 L66 P69 V70 V72 F95 F97 L104 | M58-A60 VanDerWaalsContact CG-O 3.31Å; M58-A60 WeakPolarHBondContact CG-O 3.37Å; M58-R61 HydrophobicContact SD-CB 4.13Å; M58-L66 HydrophobicContact CE-CD1 3.78Å; M58-L66 HydrophobicContact CG-CD1 4.16Å; M58-L66 HydrophobicContact SD-CD1 4.34Å; M58-P69 VanDerWaalsContact O-CA 3.26Å; M58-P69 WeakPolarHBondContact O-CA 3.44Å; M58-P69 WeakPolarHBondContact O-CB 3.25Å; M58-V70 VanDerWaalsContact CB-O 3.26Å; M58-V70 WeakPolarHBondContact CB-O 3.43Å; M58-V70 HydrophobicContact CE-CB 3.92Å; M58-V70 HydrophobicContact CE-CG1 4.39Å; M58-V70 HydrophobicContact CE-CG2 4.49Å; M58-V70 PolarHBondContact N-O 2.77Å; M58-V70 PolarHBondContact O-N 2.89Å; M58-V70 VanDerWaalsContact O-N 3.08Å; M58-V72 HydrophobicContact CB-CG2 4.02Å; M58-V72 HydrophobicContact CE-CG2 4.14Å; M58-V72 HydrophobicContact SD-CG2 4.34Å; M58-F95 HydrophobicContact CB-CE2 4.46Å; M58-F95 HydrophobicContact CB-CZ 3.83Å; M58-F95 HydrophobicContact CG-CE2 4.26Å; M58-F95 HydrophobicContact CG-CZ 3.82Å; M58-F95 HydrophobicContact SD-CE2 4.03Å; M58-F95 HydrophobicContact SD-CZ 4.22Å; M58-F97 HydrophobicContact CE-CE1 4.27Å; M58-F97 HydrophobicContact CE-CE2 4.4Å; M58-F97 HydrophobicContact CE-CZ 3.86Å; M58-F97 HydrophobicContact SD-CD1 4.19Å; M58-F97 HydrophobicContact SD-CE1 3.42Å; M58-F97 WeakPolarHBondContact SD-CE1 3.22Å; M58-F97 HydrophobicContact SD-CZ 3.63Å; M58-L104 HydrophobicContact CE-CD1 3.91Å |
| 59 | T | 95.5 | Very high | 92.4 | Very high | 64 Ų | 64 | 67.1 Ų | 67.1 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -16.8 | 179.1 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | A41 S57 A65 L66 P69 | A41-T59 PolarHBondContact O-N 3.39Å; S57-T59 PolarHBondContact O-N 2.94Å; T59-A65 WeakPolarHBondContact O-CA 3.3Å; T59-L66 PolarHBondContact O-N 3.26Å; T59-P69 HydrophobicContact CG2-CB 4.34Å |
| 60 | A | 92.8 | Very high | 92.6 | Very high | 23 Ų | 23 | 68.6 Ų | 68.6 | 19% | 0.19 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 145.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G40 A41 M58 V64 | G40-A60 CarbonylContact C-O 3.59Å; G40-A60 VanDerWaalsContact CA-O 3.24Å; G40-A60 WeakPolarHBondContact CA-O 3.21Å; A41-A60 HydrophobicContact CB-CB 4.45Å; A41-A60 PolarHBondContact N-O 3.29Å; A41-A60 PolarHBondContact O-N 3.25Å; M58-A60 VanDerWaalsContact CG-O 3.31Å; M58-A60 WeakPolarHBondContact CG-O 3.37Å; A60-V64 CarbonylContact C-O 3.5Å; A60-V64 WeakPolarHBondContact CA-O 3.3Å |
| 61 | R | 90.8 | Very high | 92.9 | Very high | 109 Ų | 109 | 61.3 Ų | 61.3 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 124.2 | 176.5 | 178.4 | -178.8 | 179.4 | -163.9 | -3 | 109.1 | L38 M58 G63 V64 L66 F97 | L38-R61 VanDerWaalsContact CD1-NH2 3.31Å; M58-R61 HydrophobicContact SD-CB 4.13Å; R61-G63 PolarHBondContact O-N 2.85Å; R61-G63 VanDerWaalsContact O-N 3.14Å; R61-V64 PolarHBondContact N-O 2.86Å; R61-V64 PolarHBondContact O-N 2.82Å; R61-L66 HydrophobicContact CB-CD1 3.75Å; R61-L66 HydrophobicContact CB-CG 4.26Å; R61-F97 HydrophobicContact CG-CE1 4.42Å; R61-F97 HydrophobicContact CG-CZ 4.13Å |
| 62 | A | 86.1 | Confident | 93.1 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 67% | 0.669 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 36.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | H39 V64 | H39-A62 PolarHBondContact O-N 2.95Å; A62-V64 VanDerWaalsContact C-N 3.32Å; A62-V64 PolarHBondContact O-N 2.82Å |
| 63 | G | 81.2 | Confident | 93.2 | Very high | 78 Ų | 78 | 59.2 Ų | 59.2 | 80% | 0.804 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -9.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R61 | R61-G63 PolarHBondContact O-N 2.85Å; R61-G63 VanDerWaalsContact O-N 3.14Å |
| 64 | V | 90.5 | Very high | 93.2 | Very high | 101 Ų | 101 | 56.3 Ų | 56.3 | 61% | 0.612 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129 | 176.4 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | A60 R61 A62 | A60-V64 CarbonylContact C-O 3.5Å; A60-V64 WeakPolarHBondContact CA-O 3.3Å; R61-V64 PolarHBondContact N-O 2.86Å; R61-V64 PolarHBondContact O-N 2.82Å; A62-V64 VanDerWaalsContact C-N 3.32Å; A62-V64 PolarHBondContact O-N 2.82Å |
| 65 | A | 90.4 | Very high | 93.3 | Very high | 83 Ų | 83 | 59.6 Ų | 59.6 | 69% | 0.686 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 143.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T59 | T59-A65 WeakPolarHBondContact O-CA 3.3Å |
| 66 | L | 90.6 | Very high | 93.1 | Very high | 55 Ų | 55 | 60 Ų | 60 | 29% | 0.288 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.4 | 179.7 | -69.5 | 176.2 | 0 | 0 | 0 | 110.8 | M58 T59 R61 V70 | M58-L66 HydrophobicContact CE-CD1 3.78Å; M58-L66 HydrophobicContact CG-CD1 4.16Å; M58-L66 HydrophobicContact SD-CD1 4.34Å; T59-L66 PolarHBondContact O-N 3.26Å; R61-L66 HydrophobicContact CB-CD1 3.75Å; R61-L66 HydrophobicContact CB-CG 4.26Å; L66-V70 HydrophobicContact CD1-CG2 4.34Å |
| 67 | D | 88.6 | Confident | 93.1 | Very high | 159 Ų | 159 | 63.1 Ų | 63.1 | 85% | 0.85 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 120.1 | 168.3 | -173 | 21.3 | 0 | 0 | 0 | 108.3 | ||
| 68 | P | 91.2 | Very high | 93 | Very high | 100 Ų | 100 | 65.5 Ų | 65.5 | 65% | 0.649 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -71.4 | 156.7 | -3.2 | 31.7 | -36.5 | 0 | 0 | 0 | 113.2 | ||
| 69 | P | 93.2 | Very high | 93 | Very high | 62 Ų | 62 | 65.7 Ų | 65.7 | 40% | 0.403 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 147.2 | 174.9 | 30.2 | -36 | 0 | 0 | 0 | 111.6 | S57 M58 T59 | S57-P69 WeakPolarHBondContact OG-CB 3.45Å; M58-P69 VanDerWaalsContact O-CA 3.26Å; M58-P69 WeakPolarHBondContact O-CA 3.44Å; M58-P69 WeakPolarHBondContact O-CB 3.25Å; T59-P69 HydrophobicContact CG2-CB 4.34Å |
| 70 | V | 94.7 | Very high | 92.9 | Very high | 59 Ų | 59 | 65.5 Ų | 65.5 | 36% | 0.358 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.2 | -170.7 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | M58 L66 L104 | M58-V70 VanDerWaalsContact CB-O 3.26Å; M58-V70 WeakPolarHBondContact CB-O 3.43Å; M58-V70 HydrophobicContact CE-CB 3.92Å; M58-V70 HydrophobicContact CE-CG1 4.39Å; M58-V70 HydrophobicContact CE-CG2 4.49Å; M58-V70 PolarHBondContact N-O 2.77Å; M58-V70 PolarHBondContact O-N 2.89Å; M58-V70 VanDerWaalsContact O-N 3.08Å; L66-V70 HydrophobicContact CD1-CG2 4.34Å; V70-L104 HydrophobicContact CG1-CD1 3.77Å |
| 71 | D | 95.9 | Very high | 92.9 | Very high | 64 Ų | 64 | 65.5 Ų | 65.5 | 34% | 0.342 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 127.4 | 178.2 | -79 | 4.1 | 0 | 0 | 0 | 112 | K45 F55 L56 | K45-D71 VanDerWaalsContact CD-OD1 3.27Å; K45-D71 WeakPolarHBondContact CD-OD1 3.42Å; K45-D71 IonicContact NZ-OD1 3.81Å; K45-D71 PolarHBondContact NZ-OD1 2.96Å; K45-D71 IonicContact NZ-OD2 2.7Å; K45-D71 PolarHBondContact NZ-OD2 2.88Å; F55-D71 HydrophobicContact CD1-CB 4.02Å; L56-D71 CarbonylContact O-C 3.49Å; L56-D71 WeakPolarHBondContact O-CA 3.15Å |
| 72 | V | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 125.6 | 177.5 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | F55 L56 M58 F95 F97 L104 | F55-V72 CarbonylContact C-O 3.55Å; F55-V72 WeakPolarHBondContact CA-O 3.5Å; L56-V72 HydrophobicContact CB-CB 4.4Å; L56-V72 PolarHBondContact N-O 2.99Å; L56-V72 PolarHBondContact O-N 3.42Å; M58-V72 HydrophobicContact CB-CG2 4.02Å; M58-V72 HydrophobicContact CE-CG2 4.14Å; M58-V72 HydrophobicContact SD-CG2 4.34Å; V72-F95 HydrophobicContact CB-CE2 4.26Å; V72-F95 HydrophobicContact CG1-CD2 4.44Å; V72-F95 HydrophobicContact CG1-CE2 4.13Å; V72-F95 HydrophobicContact CG2-CE2 3.99Å; V72-F95 HydrophobicContact CG2-CZ 4.34Å; V72-F97 HydrophobicContact CG1-CB 4.04Å; V72-L104 HydrophobicContact CB-CB 4.35Å; V72-L104 HydrophobicContact CG1-CB 4.18Å; V72-L104 HydrophobicContact CG2-CB 3.97Å; V72-L104 HydrophobicContact CG2-CD1 3.98Å |
| 73 | F | 97.3 | Very high | 92.8 | Very high | 67 Ų | 67 | 67.1 Ų | 67.1 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 138.4 | 179.7 | 177 | -105.8 | 0 | 0 | 0 | 111.7 | F53 F55 H75 L104 E105 S106 | F53-F73 HydrophobicContact CB-CE2 3.89Å; F53-F73 HydrophobicContact CB-CZ 3.94Å; F53-F73 AromaticContact CD2-CE2 3.96Å; F53-F73 HydrophobicContact CD2-CE2 3.96Å; F53-F73 HydrophobicContact CG-CE2 4.15Å; F53-F73 HydrophobicContact CG-CZ 4.44Å; F55-F73 HydrophobicContact CD1-CB 4.42Å; F55-F73 HydrophobicContact CD2-CD2 4.49Å; F55-F73 HydrophobicContact CE1-CB 4.02Å; F55-F73 HydrophobicContact CE1-CD2 4.4Å; F55-F73 AromaticContact CE2-CD2 3.95Å; F55-F73 HydrophobicContact CE2-CD2 3.95Å; F55-F73 HydrophobicContact CZ-CB 4.33Å; F55-F73 AromaticContact CZ-CD2 3.91Å; F55-F73 HydrophobicContact CZ-CD2 3.91Å; F73-H75 HydrophobicContact CE1-CB 4.13Å; F73-H75 HydrophobicContact CZ-CB 4.38Å; F73-L104 WeakPolarHBondContact CB-O 3.26Å; F73-L104 PolarHBondContact N-O 3.13Å; F73-E105 HydrophobicContact CD1-CG 4.31Å; F73-S106 WeakPolarHBondContact O-CB 3.34Å; F73-S106 PolarHBondContact O-N 3.5Å; F73-S106 PolarHBondContact O-OG 2.89Å |
| 74 | V | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136 | 176 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | F47 F53 G54 L56 L79 L87 S106 V109 | F47-V74 HydrophobicContact CD2-CG1 4.31Å; F53-V74 CarbonylContact C-O 3.54Å; F53-V74 VanDerWaalsContact CA-O 3.23Å; F53-V74 WeakPolarHBondContact CA-O 3.43Å; F53-V74 WeakPolarHBondContact CB-O 3.31Å; G54-V74 VanDerWaalsContact C-CG1 3.43Å; G54-V74 PolarHBondContact N-O 2.83Å; G54-V74 WeakPolarHBondContact O-CG1 3.24Å; G54-V74 PolarHBondContact O-N 3.03Å; L56-V74 HydrophobicContact CD1-CB 4.27Å; L56-V74 HydrophobicContact CD2-CB 4.31Å; L56-V74 HydrophobicContact CD2-CG1 3.74Å; L56-V74 HydrophobicContact CG-CB 4.05Å; L56-V74 HydrophobicContact CG-CG1 3.84Å; V74-L79 HydrophobicContact CG2-CD2 3.54Å; V74-L79 HydrophobicContact CG2-CG 4.44Å; V74-L87 HydrophobicContact CG1-CD1 4.35Å; V74-L87 HydrophobicContact CG2-CD1 4.38Å; V74-S106 VanDerWaalsContact CA-OG 3.3Å; V74-S106 WeakPolarHBondContact CA-OG 2.92Å; V74-S106 WeakPolarHBondContact CB-OG 3.21Å; V74-V109 HydrophobicContact CG2-CG2 3.82Å |
| 75 | H | 97.4 | Very high | 93.3 | Very high | 68 Ų | 68 | 65.7 Ų | 65.7 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147 | 175 | -179.9 | -106.8 | 0 | 0 | 0 | 110.8 | G52 F73 S77 K78 | G52-H75 PolarHBondContact O-CD2 3.18Å; G52-H75 VanDerWaalsContact O-CD2 3.25Å; F73-H75 HydrophobicContact CE1-CB 4.13Å; F73-H75 HydrophobicContact CZ-CB 4.38Å; H75-S77 PolarHBondContact ND1-N 3.19Å; H75-S77 PolarHBondContact ND1-OG 3.39Å; H75-S77 PolarHBondContact O-N 2.91Å; H75-K78 HydrophobicContact CB-CG 4.45Å; H75-K78 WeakPolarHBondContact O-CB 3.42Å; H75-K78 PolarHBondContact O-N 2.82Å |
| 76 | Q | 95.2 | Very high | 93.5 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -57.6 | -22 | -175.2 | 62.5 | 149.1 | 14.1 | 0 | 0 | 114.3 | F47 G52 K78 R85 | F47-Q76 HydrophobicContact CZ-CB 4.16Å; G52-Q76 WeakPolarHBondContact O-CB 3.47Å; G52-Q76 WeakPolarHBondContact O-CG 3.22Å; G52-Q76 PolarHBondContact O-N 3.43Å; Q76-K78 PolarHBondContact O-N 2.88Å; Q76-R85 HydrophobicContact CB-CB 4.13Å; Q76-R85 VanDerWaalsContact O-CB 3.26Å; Q76-R85 WeakPolarHBondContact O-CB 3.29Å; Q76-R85 WeakPolarHBondContact O-CD 3.46Å; Q76-R85 PolarHBondContact O-NE 3.02Å |
| 77 | S | 95.8 | Very high | 93.7 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 47% | 0.469 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -75.7 | -10.8 | 176.7 | 65 | 0 | 0 | 0 | 0 | 113.7 | H75 | H75-S77 PolarHBondContact ND1-N 3.19Å; H75-S77 PolarHBondContact ND1-OG 3.39Å; H75-S77 PolarHBondContact O-N 2.91Å |
| 78 | K | 96.4 | Very high | 93.9 | Very high | 65 Ų | 65 | 56.1 Ų | 56.1 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -100.2 | -9.3 | -178.6 | -47.5 | -53.7 | -160.6 | 166.6 | 0 | 112.9 | H75 Q76 I107 R108 V109 | H75-K78 HydrophobicContact CB-CG 4.45Å; H75-K78 WeakPolarHBondContact O-CB 3.42Å; H75-K78 PolarHBondContact O-N 2.82Å; Q76-K78 PolarHBondContact O-N 2.88Å; K78-I107 WeakPolarHBondContact CD-O 3.41Å; K78-R108 CarbonylContact O-C 3.58Å; K78-R108 WeakPolarHBondContact O-CA 3.23Å; K78-V109 PolarHBondContact O-N 2.78Å |
| 79 | L | 96.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 125.5 | -179.5 | -56.9 | -177.9 | 0 | 0 | 0 | 110.9 | F47 V74 M81 R85 L87 V109 | F47-L79 HydrophobicContact CE2-CD1 4Å; F47-L79 HydrophobicContact CZ-CD1 4.01Å; V74-L79 HydrophobicContact CG2-CD2 3.54Å; V74-L79 HydrophobicContact CG2-CG 4.44Å; L79-M81 PolarHBondContact O-N 3.07Å; L79-R85 HydrophobicContact CB-CB 4.18Å; L79-R85 HydrophobicContact CB-CG 4.39Å; L79-R85 HydrophobicContact CD1-CB 4.16Å; L79-R85 VanDerWaalsContact O-CD 3.22Å; L79-R85 WeakPolarHBondContact O-CD 3.25Å; L79-L87 HydrophobicContact CD1-CD2 4.48Å; L79-L87 HydrophobicContact CD1-CG 3.97Å; L79-L87 HydrophobicContact CD2-CD1 3.68Å; L79-L87 HydrophobicContact CD2-CD2 3.99Å; L79-L87 HydrophobicContact CD2-CG 3.73Å; L79-V109 HydrophobicContact CD2-CB 3.86Å; L79-V109 HydrophobicContact CD2-CG1 4.13Å; L79-V109 HydrophobicContact CD2-CG2 4.21Å |
| 80 | H | 93.6 | Very high | 94.1 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | trans | -83.7 | 86.9 | 175.7 | -169.6 | -114.8 | 0 | 0 | 0 | 109.8 | R108 V109 T110 F116 C117 | H80-R108 PolarHBondContact CD2-NH2 2.77Å; H80-R108 PolarHBondContact CE1-NH2 3.16Å; H80-R108 PolarHBondContact NE2-NH2 2.91Å; H80-V109 WeakPolarHBondContact CB-O 3.28Å; H80-V109 PolarHBondContact N-O 2.85Å; H80-T110 HydrophobicContact CB-CG2 3.66Å; H80-F116 AromaticContact CE1-CD1 3.75Å; H80-F116 AromaticContact CE1-CE1 3.57Å; H80-F116 AromaticContact ND1-CD1 3.57Å; H80-F116 AromaticContact ND1-CE1 3.87Å; H80-F116 VanDerWaalsContact O-CA 3.29Å; H80-F116 WeakPolarHBondContact O-CA 3.42Å; H80-F116 WeakPolarHBondContact O-CD1 3.4Å; H80-C117 PolarHBondContact O-N 2.7Å; H80-C117 PolarHBondContact O-SG 2.88Å; H80-C117 VanDerWaalsContact O-SG 3.39Å | ||
| 81 | M | 91.6 | Very high | 94.1 | Very high | 22 Ų | 22 | 55.5 Ų | 55.5 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | trans | -159.7 | 159.6 | 171.3 | 63.1 | 174.6 | 62.9 | 0 | 0 | 111.4 | L79 R85 S86 F116 C117 | L79-M81 PolarHBondContact O-N 3.07Å; M81-R85 HydrophobicContact CG-CB 4.31Å; M81-R85 HydrophobicContact CG-CG 3.7Å; M81-R85 HydrophobicContact SD-CB 4.47Å; M81-R85 HydrophobicContact SD-CG 4.44Å; M81-S86 WeakPolarHBondContact CE-O 3.3Å; M81-F116 HydrophobicContact CB-CB 4.45Å; M81-C117 HydrophobicContact CE-CB 3.38Å; M81-C117 VanDerWaalsContact CE-O 3.28Å; M81-C117 WeakPolarHBondContact CE-O 3.33Å | ||
| 82 | E | 86.8 | Confident | 94.1 | Very high | 160 Ų | 160 | 54.8 Ų | 54.8 | 75% | 0.748 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -82 | 152.5 | 178.2 | -60.1 | -168.7 | 161.4 | 0 | 0 | 112.8 | F84 F116 | E82-F84 PolarHBondContact O-N 2.96Å; E82-F116 HydrophobicContact CG-CZ 4.41Å |
| 83 | G | 88 | Confident | 94.1 | Very high | 65 Ų | 65 | 55 Ų | 55 | 67% | 0.67 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 70.8 | -115.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 84 | F | 89 | Confident | 94 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -99.4 | 111.6 | -171.2 | 175.6 | -95.6 | 0 | 0 | 0 | 111.1 | V49 E82 S86 R123 P124 | V49-F84 HydrophobicContact CG1-CE1 3.43Å; V49-F84 VanDerWaalsContact CG1-CE1 3.43Å; V49-F84 HydrophobicContact CG1-CZ 3.62Å; E82-F84 PolarHBondContact O-N 2.96Å; F84-S86 PolarHBondContact O-N 3.02Å; F84-R123 HydrophobicContact CD1-CG 3.92Å; F84-R123 HydrophobicContact CE1-CG 4.32Å; F84-R123 HydrophobicContact CG-CG 4.24Å; F84-P124 HydrophobicContact CE1-CG 4.37Å; F84-P124 HydrophobicContact CE2-CG 4.25Å; F84-P124 HydrophobicContact CZ-CG 3.75Å |
| 85 | R | 93.2 | Very high | 94 | Very high | 92 Ų | 92 | 54.3 Ų | 54.3 | 35% | 0.347 | 30% | 0.295 | S | S | . | . | trans | -83.8 | 113.9 | -168.4 | -70.8 | -175.7 | -66.8 | -91.2 | -1.3 | 112.4 | Q76 L79 M81 | Q76-R85 HydrophobicContact CB-CB 4.13Å; Q76-R85 VanDerWaalsContact O-CB 3.26Å; Q76-R85 WeakPolarHBondContact O-CB 3.29Å; Q76-R85 WeakPolarHBondContact O-CD 3.46Å; Q76-R85 PolarHBondContact O-NE 3.02Å; L79-R85 HydrophobicContact CB-CB 4.18Å; L79-R85 HydrophobicContact CB-CG 4.39Å; L79-R85 HydrophobicContact CD1-CB 4.16Å; L79-R85 VanDerWaalsContact O-CD 3.22Å; L79-R85 WeakPolarHBondContact O-CD 3.25Å; M81-R85 HydrophobicContact CG-CB 4.31Å; M81-R85 HydrophobicContact CG-CG 3.7Å; M81-R85 HydrophobicContact SD-CB 4.47Å; M81-R85 HydrophobicContact SD-CG 4.44Å | ||
| 86 | S | 94.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | trans | -151.4 | 172.3 | 174.1 | 60.8 | 0 | 0 | 0 | 0 | 110.9 | F47 M81 F84 G119 S120 | F47-S86 VanDerWaalsContact CE1-CA 3.48Å; M81-S86 WeakPolarHBondContact CE-O 3.3Å; F84-S86 PolarHBondContact O-N 3.02Å; S86-G119 WeakPolarHBondContact O-CA 3.44Å; S86-S120 WeakPolarHBondContact CB-OG 3.42Å; S86-S120 PolarHBondContact OG-N 2.82Å; S86-S120 PolarHBondContact OG-OG 2.71Å | ||
| 87 | L | 94.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | trans | -123.1 | 153.4 | 171.2 | -69.1 | 173.8 | 0 | 0 | 0 | 110.3 | C44 F47 L56 V74 L79 V93 C117 | C44-L87 HydrophobicContact CB-CB 4.05Å; C44-L87 HydrophobicContact CB-CD1 4.11Å; C44-L87 VanDerWaalsContact SG-CB 3.56Å; F47-L87 HydrophobicContact CB-CB 4.09Å; F47-L87 HydrophobicContact CD2-CB 4.17Å; F47-L87 HydrophobicContact CD2-CD1 4.38Å; F47-L87 HydrophobicContact CD2-CG 4.4Å; F47-L87 HydrophobicContact CG-CB 4.13Å; L56-L87 HydrophobicContact CD2-CD1 3.57Å; V74-L87 HydrophobicContact CG1-CD1 4.35Å; V74-L87 HydrophobicContact CG2-CD1 4.38Å; L79-L87 HydrophobicContact CD1-CD2 4.48Å; L79-L87 HydrophobicContact CD1-CG 3.97Å; L79-L87 HydrophobicContact CD2-CD1 3.68Å; L79-L87 HydrophobicContact CD2-CD2 3.99Å; L79-L87 HydrophobicContact CD2-CG 3.73Å; L87-V93 HydrophobicContact CD2-CG1 4.13Å; L87-C117 HydrophobicContact CD2-CB 3.64Å | ||
| 88 | K | 93.4 | Very high | 93.8 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 40% | 0.4 | 27% | 0.269 | S | S | . | . | trans | -89.5 | 142.6 | 167.8 | 173.5 | 169.1 | 177 | 168.2 | 0 | 109.9 | C44 G90 E91 E121 | C44-K88 WeakPolarHBondContact CB-O 3.49Å; K88-G90 PolarHBondContact O-N 2.89Å; K88-E91 HydrophobicContact CB-CB 4.18Å; K88-E91 PolarHBondContact N-OE2 2.85Å; K88-E91 WeakPolarHBondContact O-CB 3.49Å; K88-E91 PolarHBondContact O-N 3.43Å; K88-E91 VanDerWaalsContact O-N 3.13Å; K88-E121 IonicContact NZ-OE1 3.47Å; K88-E121 PolarHBondContact NZ-OE1 2.99Å | ||
| 89 | E | 94.5 | Very high | 93.6 | Very high | 147 Ų | 147 | 55.4 Ų | 55.4 | 69% | 0.687 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 134.1 | 173.5 | -172.5 | 174.8 | 159.2 | 0 | 0 | 110.8 | E91 | E89-E91 PolarHBondContact O-N 2.86Š|
| 90 | G | 94.3 | Very high | 93.3 | Very high | 51 Ų | 51 | 57 Ų | 57 | 53% | 0.526 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 2.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | C44 K88 A92 | C44-G90 PolarHBondContact O-N 2.86Å; K88-G90 PolarHBondContact O-N 2.89Å; G90-A92 PolarHBondContact O-N 3.42Å |
| 91 | E | 93.7 | Very high | 93.2 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | trans | -66.3 | 126.3 | 175.8 | -174.3 | -179.4 | 155.6 | 0 | 0 | 111.2 | I43 C44 K88 E89 V93 C117 I118 G119 | I43-E91 CarbonylContact C-O 3.52Å; I43-E91 VanDerWaalsContact CA-O 3.26Å; I43-E91 WeakPolarHBondContact CA-O 3.36Å; C44-E91 HydrophobicContact CB-CB 4.32Å; C44-E91 PolarHBondContact N-O 3.02Å; K88-E91 HydrophobicContact CB-CB 4.18Å; K88-E91 PolarHBondContact N-OE2 2.85Å; K88-E91 WeakPolarHBondContact O-CB 3.49Å; K88-E91 PolarHBondContact O-N 3.43Å; K88-E91 VanDerWaalsContact O-N 3.13Å; E89-E91 PolarHBondContact O-N 2.86Å; E91-V93 HydrophobicContact CG-CG1 4.49Å; E91-C117 VanDerWaalsContact OE1-CA 3.32Å; E91-C117 WeakPolarHBondContact OE1-CA 3.32Å; E91-C117 WeakPolarHBondContact OE1-CB 3.17Å; E91-I118 HydrophobicContact CG-CB 4.36Å; E91-I118 HydrophobicContact CG-CD1 4.2Å; E91-I118 HydrophobicContact CG-CG1 4.26Å; E91-I118 PolarHBondContact OE1-N 3.13Å; E91-G119 PolarHBondContact OE2-N 3.1Å | ||
| 92 | A | 95.3 | Very high | 93 | Very high | 50 Ų | 50 | 68.5 Ų | 68.5 | 41% | 0.413 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 133 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | G90 P112 | G90-A92 PolarHBondContact O-N 3.42Å; A92-P112 HydrophobicContact CB-CG 3.95Å; A92-P112 WeakPolarHBondContact O-CD 3.38Å |
| 93 | V | 96.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.024 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 147.3 | -174.3 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | A41 G42 L56 L87 E91 F95 V109 T110 | A41-V93 WeakPolarHBondContact CA-O 3.36Å; G42-V93 PolarHBondContact N-O 3.28Å; G42-V93 PolarHBondContact O-N 3.08Å; L56-V93 HydrophobicContact CD1-CG2 4.16Å; L56-V93 HydrophobicContact CD2-CG2 4.06Å; L87-V93 HydrophobicContact CD2-CG1 4.13Å; E91-V93 HydrophobicContact CG-CG1 4.49Å; V93-F95 HydrophobicContact CB-CD1 4.48Å; V93-F95 HydrophobicContact CG2-CD1 3.99Å; V93-F95 HydrophobicContact CG2-CE1 4.11Å; V93-V109 HydrophobicContact CB-CG1 3.9Å; V93-V109 HydrophobicContact CG1-CG1 3.91Å; V93-V109 HydrophobicContact CG2-CG1 4.48Å; V93-T110 VanDerWaalsContact CA-O 3.3Å; V93-T110 WeakPolarHBondContact CA-O 3.22Å; V93-T110 WeakPolarHBondContact CB-O 3.33Å |
| 94 | E | 96.1 | Very high | 93.7 | Very high | 52 Ų | 52 | 61.5 Ų | 61.5 | 24% | 0.243 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 143 | 167 | -74.6 | 167.4 | -167.2 | 0 | 0 | 108.5 | A41 V109 T110 P112 G113 G114 | A41-E94 HydrophobicContact CB-CG 4.33Å; E94-V109 WeakPolarHBondContact O-CA 3.04Å; E94-T110 PolarHBondContact N-O 2.67Å; E94-T110 PolarHBondContact O-N 2.69Å; E94-T110 PolarHBondContact O-OG1 3.25Å; E94-P112 WeakPolarHBondContact OE1-CA 3.41Å; E94-G113 PolarHBondContact OE1-N 2.82Å; E94-G113 PolarHBondContact OE2-N 2.95Å; E94-G114 PolarHBondContact OE2-N 2.8Å |
| 95 | F | 96.4 | Very high | 94 | Very high | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 148.9 | -175.8 | 51.2 | -90.4 | 0 | 0 | 0 | 113.7 | G40 L56 M58 V72 V93 F97 R108 V109 | G40-F95 PolarHBondContact N-O 3.32Å; G40-F95 PolarHBondContact O-N 3Å; L56-F95 HydrophobicContact CB-CE1 4.18Å; L56-F95 HydrophobicContact CB-CZ 4.4Å; L56-F95 HydrophobicContact CD1-CB 4.38Å; L56-F95 HydrophobicContact CD1-CD1 3.5Å; L56-F95 VanDerWaalsContact CD1-CD1 3.5Å; L56-F95 HydrophobicContact CD1-CD2 4.39Å; L56-F95 HydrophobicContact CD1-CE1 3.76Å; L56-F95 HydrophobicContact CD1-CG 3.84Å; L56-F95 HydrophobicContact CD1-CZ 4.32Å; M58-F95 HydrophobicContact CB-CE2 4.46Å; M58-F95 HydrophobicContact CB-CZ 3.83Å; M58-F95 HydrophobicContact CG-CE2 4.26Å; M58-F95 HydrophobicContact CG-CZ 3.82Å; M58-F95 HydrophobicContact SD-CE2 4.03Å; M58-F95 HydrophobicContact SD-CZ 4.22Å; V72-F95 HydrophobicContact CB-CE2 4.26Å; V72-F95 HydrophobicContact CG1-CD2 4.44Å; V72-F95 HydrophobicContact CG1-CE2 4.13Å; V72-F95 HydrophobicContact CG2-CE2 3.99Å; V72-F95 HydrophobicContact CG2-CZ 4.34Å; V93-F95 HydrophobicContact CB-CD1 4.48Å; V93-F95 HydrophobicContact CG2-CD1 3.99Å; V93-F95 HydrophobicContact CG2-CE1 4.11Å; F95-F97 HydrophobicContact CD2-CB 4.26Å; F95-F97 AromaticContact CD2-CD1 3.91Å; F95-F97 HydrophobicContact CD2-CD1 3.91Å; F95-F97 HydrophobicContact CD2-CG 4.48Å; F95-F97 AromaticContact CE2-CD1 3.83Å; F95-F97 HydrophobicContact CE2-CD1 3.83Å; F95-F97 HydrophobicContact CE2-CE1 4.42Å; F95-F97 HydrophobicContact CE2-CG 4.47Å; F95-R108 CarbonylContact C-O 3.56Å; F95-R108 WeakPolarHBondContact CA-O 3.38Å; F95-R108 VanDerWaalsContact CB-O 3.23Å; F95-R108 WeakPolarHBondContact CB-O 3.35Å; F95-V109 HydrophobicContact CB-CB 4.3Å; F95-V109 HydrophobicContact CB-CG1 4.33Å; F95-V109 HydrophobicContact CB-CG2 3.94Å |
| 96 | T | 95.6 | Very high | 94.1 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 25% | 0.252 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 137.9 | 162.2 | 55 | 0 | 0 | 0 | 0 | 109.4 | L38 S106 I107 R108 | L38-T96 CarbonylContact O-C 3.54Å; L38-T96 VanDerWaalsContact O-CA 3.3Å; L38-T96 WeakPolarHBondContact O-CA 3.32Å; T96-S106 CarbonylContact O-C 3.59Å; T96-S106 WeakPolarHBondContact O-CA 2.97Å; T96-I107 PolarHBondContact O-N 2.77Å; T96-R108 PolarHBondContact N-O 3.28Å; T96-R108 PolarHBondContact OG1-N 2.89Å |
| 97 | F | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 160.6 | -180 | 70.4 | -85.3 | 0 | 0 | 0 | 111.7 | L38 M58 R61 V72 F95 L104 E105 | L38-F97 HydrophobicContact CB-CD1 4.03Å; L38-F97 HydrophobicContact CB-CD2 4.15Å; L38-F97 HydrophobicContact CB-CE1 3.6Å; L38-F97 HydrophobicContact CB-CE2 3.74Å; L38-F97 HydrophobicContact CB-CG 4.3Å; L38-F97 HydrophobicContact CB-CZ 3.45Å; L38-F97 VanDerWaalsContact CB-CZ 3.45Å; L38-F97 HydrophobicContact CD1-CD2 4.37Å; L38-F97 HydrophobicContact CD1-CE2 3.69Å; L38-F97 HydrophobicContact CD1-CZ 4.04Å; L38-F97 HydrophobicContact CG-CE2 4.38Å; L38-F97 HydrophobicContact CG-CZ 4.35Å; L38-F97 PolarHBondContact N-O 3.48Å; L38-F97 VanDerWaalsContact O-CD1 3.25Å; L38-F97 WeakPolarHBondContact O-CD1 3.26Å; L38-F97 PolarHBondContact O-N 2.83Å; M58-F97 HydrophobicContact CE-CE1 4.27Å; M58-F97 HydrophobicContact CE-CE2 4.4Å; M58-F97 HydrophobicContact CE-CZ 3.86Å; M58-F97 HydrophobicContact SD-CD1 4.19Å; M58-F97 HydrophobicContact SD-CE1 3.42Å; M58-F97 WeakPolarHBondContact SD-CE1 3.22Å; M58-F97 HydrophobicContact SD-CZ 3.63Å; R61-F97 HydrophobicContact CG-CE1 4.42Å; R61-F97 HydrophobicContact CG-CZ 4.13Å; V72-F97 HydrophobicContact CG1-CB 4.04Å; F95-F97 HydrophobicContact CD2-CB 4.26Å; F95-F97 AromaticContact CD2-CD1 3.91Å; F95-F97 HydrophobicContact CD2-CD1 3.91Å; F95-F97 HydrophobicContact CD2-CG 4.48Å; F95-F97 AromaticContact CE2-CD1 3.83Å; F95-F97 HydrophobicContact CE2-CD1 3.83Å; F95-F97 HydrophobicContact CE2-CE1 4.42Å; F95-F97 HydrophobicContact CE2-CG 4.47Å; F97-L104 HydrophobicContact CD2-CB 4.22Å; F97-L104 HydrophobicContact CD2-CD1 4.21Å; F97-L104 HydrophobicContact CD2-CD2 4.02Å; F97-L104 HydrophobicContact CD2-CG 4.38Å; F97-L104 HydrophobicContact CE2-CD1 3.86Å; F97-L104 HydrophobicContact CE2-CD2 3.92Å; F97-L104 HydrophobicContact CE2-CG 4.37Å; F97-E105 CarbonylContact C-O 3.6Å; F97-E105 WeakPolarHBondContact CA-O 3.44Å; F97-E105 WeakPolarHBondContact CB-O 3.1Å |
| 98 | K | 94 | Very high | 94.2 | Very high | 68 Ų | 68 | 65 Ų | 65 | 30% | 0.296 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 161.7 | 172.2 | 60.1 | 171.6 | 178.1 | 170.5 | 0 | 110.7 | E105 I107 | K98-E105 VanDerWaalsContact CE-OE2 3.25Å; K98-E105 WeakPolarHBondContact CE-OE2 3.26Å; K98-E105 HydrophobicContact CG-CB 4.43Å; K98-E105 PolarHBondContact N-O 2.85Å; K98-E105 IonicContact NZ-OE2 3.76Å; K98-E105 PolarHBondContact O-N 3.06Å; K98-I107 HydrophobicContact CB-CD1 3.83Å; K98-I107 HydrophobicContact CD-CD1 3.99Å; K98-I107 HydrophobicContact CD-CG1 4.41Å; K98-I107 HydrophobicContact CG-CD1 3.76Å; K98-I107 HydrophobicContact CG-CG1 4.11Å |
| 99 | K | 92.3 | Very high | 94.4 | Very high | 181 Ų | 181 | 60.6 Ų | 60.6 | 79% | 0.787 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 129.7 | 162.9 | -164.6 | 175.8 | -178.5 | -177.1 | 0 | 108.7 | ||
| 100 | S | 90.5 | Very high | 94.5 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 165.1 | -179.5 | -167.4 | 0 | 0 | 0 | 0 | 108.8 | K102 G103 E105 | S100-K102 PolarHBondContact O-N 2.95Å; S100-G103 CarbonylContact C-O 3.56Å; S100-G103 WeakPolarHBondContact CA-O 3.38Å; S100-G103 WeakPolarHBondContact CB-O 3.46Å; S100-G103 PolarHBondContact N-O 2.84Å; S100-G103 PolarHBondContact O-N 2.82Å; S100-G103 VanDerWaalsContact O-O 3.12Å; S100-E105 WeakPolarHBondContact CB-OE2 3.26Å; S100-E105 PolarHBondContact OG-OE2 3.41Å; S100-E105 VanDerWaalsContact OG-OE2 3.07Å |
| 101 | A | 90.5 | Very high | 94.5 | Very high | 111 Ų | 111 | 51.8 Ų | 51.8 | 92% | 0.917 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -19.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 102 | K | 89.1 | Confident | 94.3 | Very high | 211 Ų | 211 | 54.6 Ų | 54.6 | 92% | 0.917 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 9.4 | 178.8 | -59.7 | -175.2 | 178.8 | -179.9 | 0 | 114.1 | S100 | S100-K102 PolarHBondContact O-N 2.95Š|
| 103 | G | 92.4 | Very high | 94 | Very high | 36 Ų | 36 | 55.5 Ų | 55.5 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 111.5 | -154.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S100 | S100-G103 CarbonylContact C-O 3.56Å; S100-G103 WeakPolarHBondContact CA-O 3.38Å; S100-G103 WeakPolarHBondContact CB-O 3.46Å; S100-G103 PolarHBondContact N-O 2.84Å; S100-G103 PolarHBondContact O-N 2.82Å; S100-G103 VanDerWaalsContact O-O 3.12Å |
| 104 | L | 95.3 | Very high | 93.7 | Very high | 42 Ų | 42 | 56.9 Ų | 56.9 | 22% | 0.22 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 130.1 | -179.8 | -58.5 | -176.3 | 0 | 0 | 0 | 111 | M58 V70 V72 F73 F97 | M58-L104 HydrophobicContact CE-CD1 3.91Å; V70-L104 HydrophobicContact CG1-CD1 3.77Å; V72-L104 HydrophobicContact CB-CB 4.35Å; V72-L104 HydrophobicContact CG1-CB 4.18Å; V72-L104 HydrophobicContact CG2-CB 3.97Å; V72-L104 HydrophobicContact CG2-CD1 3.98Å; F73-L104 WeakPolarHBondContact CB-O 3.26Å; F73-L104 PolarHBondContact N-O 3.13Å; F97-L104 HydrophobicContact CD2-CB 4.22Å; F97-L104 HydrophobicContact CD2-CD1 4.21Å; F97-L104 HydrophobicContact CD2-CD2 4.02Å; F97-L104 HydrophobicContact CD2-CG 4.38Å; F97-L104 HydrophobicContact CE2-CD1 3.86Å; F97-L104 HydrophobicContact CE2-CD2 3.92Å; F97-L104 HydrophobicContact CE2-CG 4.37Å |
| 105 | E | 95.9 | Very high | 93.5 | Very high | 46 Ų | 46 | 58.2 Ų | 58.2 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.2 | -177.8 | 176.5 | -176.2 | 177.6 | 0 | 0 | 110.4 | F73 F97 K98 S100 | F73-E105 HydrophobicContact CD1-CG 4.31Å; F97-E105 CarbonylContact C-O 3.6Å; F97-E105 WeakPolarHBondContact CA-O 3.44Å; F97-E105 WeakPolarHBondContact CB-O 3.1Å; K98-E105 VanDerWaalsContact CE-OE2 3.25Å; K98-E105 WeakPolarHBondContact CE-OE2 3.26Å; K98-E105 HydrophobicContact CG-CB 4.43Å; K98-E105 PolarHBondContact N-O 2.85Å; K98-E105 IonicContact NZ-OE2 3.76Å; K98-E105 PolarHBondContact O-N 3.06Å; S100-E105 WeakPolarHBondContact CB-OE2 3.26Å; S100-E105 PolarHBondContact OG-OE2 3.41Å; S100-E105 VanDerWaalsContact OG-OE2 3.07Å |
| 106 | S | 96.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.007 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 143.1 | 173.9 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | F73 V74 T96 | F73-S106 WeakPolarHBondContact O-CB 3.34Å; F73-S106 PolarHBondContact O-N 3.5Å; F73-S106 PolarHBondContact O-OG 2.89Å; V74-S106 VanDerWaalsContact CA-OG 3.3Å; V74-S106 WeakPolarHBondContact CA-OG 2.92Å; V74-S106 WeakPolarHBondContact CB-OG 3.21Å; T96-S106 CarbonylContact O-C 3.59Å; T96-S106 WeakPolarHBondContact O-CA 2.97Å |
| 107 | I | 96 | Very high | 93.3 | Very high | 54 Ų | 54 | 62 Ų | 62 | 28% | 0.277 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -39 | -178.4 | -67.6 | 170.2 | 0 | 0 | 0 | 110.7 | L37 K78 T96 K98 | L37-I107 HydrophobicContact CD2-CD1 3.26Å; K78-I107 WeakPolarHBondContact CD-O 3.41Å; T96-I107 PolarHBondContact O-N 2.77Å; K98-I107 HydrophobicContact CB-CD1 3.83Å; K98-I107 HydrophobicContact CD-CD1 3.99Å; K98-I107 HydrophobicContact CD-CG1 4.41Å; K98-I107 HydrophobicContact CG-CD1 3.76Å; K98-I107 HydrophobicContact CG-CG1 4.11Å |
| 108 | R | 95.6 | Very high | 93.1 | Very high | 126 Ų | 126 | 68.6 Ų | 68.6 | 48% | 0.475 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 137.3 | 171.1 | -173.7 | -179.5 | -179.2 | -147.5 | 1.4 | 108.2 | K78 H80 F95 T96 | K78-R108 CarbonylContact O-C 3.58Å; K78-R108 WeakPolarHBondContact O-CA 3.23Å; H80-R108 PolarHBondContact CD2-NH2 2.77Å; H80-R108 PolarHBondContact CE1-NH2 3.16Å; H80-R108 PolarHBondContact NE2-NH2 2.91Å; F95-R108 CarbonylContact C-O 3.56Å; F95-R108 WeakPolarHBondContact CA-O 3.38Å; F95-R108 VanDerWaalsContact CB-O 3.23Å; F95-R108 WeakPolarHBondContact CB-O 3.35Å; T96-R108 PolarHBondContact N-O 3.28Å; T96-R108 PolarHBondContact OG1-N 2.89Å |
| 109 | V | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128.4 | 177.2 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | L56 V74 K78 L79 H80 V93 E94 F95 | L56-V109 HydrophobicContact CD1-CG1 4.09Å; L56-V109 HydrophobicContact CD1-CG2 4.03Å; V74-V109 HydrophobicContact CG2-CG2 3.82Å; K78-V109 PolarHBondContact O-N 2.78Å; L79-V109 HydrophobicContact CD2-CB 3.86Å; L79-V109 HydrophobicContact CD2-CG1 4.13Å; L79-V109 HydrophobicContact CD2-CG2 4.21Å; H80-V109 WeakPolarHBondContact CB-O 3.28Å; H80-V109 PolarHBondContact N-O 2.85Å; V93-V109 HydrophobicContact CB-CG1 3.9Å; V93-V109 HydrophobicContact CG1-CG1 3.91Å; V93-V109 HydrophobicContact CG2-CG1 4.48Å; E94-V109 WeakPolarHBondContact O-CA 3.04Å; F95-V109 HydrophobicContact CB-CB 4.3Å; F95-V109 HydrophobicContact CB-CG1 4.33Å; F95-V109 HydrophobicContact CB-CG2 3.94Å |
| 110 | T | 96.3 | Very high | 92.5 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 167.2 | 177.6 | 49.1 | 0 | 0 | 0 | 0 | 109.6 | H80 V93 E94 V115 | H80-T110 HydrophobicContact CB-CG2 3.66Å; V93-T110 VanDerWaalsContact CA-O 3.3Å; V93-T110 WeakPolarHBondContact CA-O 3.22Å; V93-T110 WeakPolarHBondContact CB-O 3.33Å; E94-T110 PolarHBondContact N-O 2.67Å; E94-T110 PolarHBondContact O-N 2.69Å; E94-T110 PolarHBondContact O-OG1 3.25Å; T110-V115 WeakPolarHBondContact CB-O 3.42Å |
| 111 | G | 93.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 63.6 Ų | 63.6 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -70.8 | 179.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G114 V115 | G111-G114 PolarHBondContact O-N 2.82Å; G111-V115 PolarHBondContact N-O 2.96Å |
| 112 | P | 91.1 | Very high | 91 | Very high | 69 Ų | 69 | 68.3 Ų | 68.3 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -60.3 | 139.4 | 179.5 | -22.1 | 34.7 | 0 | 0 | 0 | 112.3 | A92 E94 G114 V115 | A92-P112 HydrophobicContact CB-CG 3.95Å; A92-P112 WeakPolarHBondContact O-CD 3.38Å; E94-P112 WeakPolarHBondContact OE1-CA 3.41Å; P112-G114 PolarHBondContact O-N 3.15Å; P112-V115 WeakPolarHBondContact O-CG2 3.27Å |
| 113 | G | 88.4 | Confident | 90.1 | Very high | 69 Ų | 69 | 65.9 Ų | 65.9 | 71% | 0.711 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | 64.9 | 25.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | E94 V115 | E94-G113 PolarHBondContact OE1-N 2.82Å; E94-G113 PolarHBondContact OE2-N 2.95Å; G113-V115 VanDerWaalsContact C-N 3.33Å; G113-V115 PolarHBondContact O-N 3Å |
| 114 | G | 89.3 | Confident | 88.7 | Confident | 32 Ų | 32 | 67 Ų | 67 | 33% | 0.33 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | 76.4 | 7.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | E94 G111 P112 | E94-G114 PolarHBondContact OE2-N 2.8Å; G111-G114 PolarHBondContact O-N 2.82Å; P112-G114 PolarHBondContact O-N 3.15Å |
| 115 | V | 93.6 | Very high | 87 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 169.4 | 179.8 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | T110 G111 P112 G113 | T110-V115 WeakPolarHBondContact CB-O 3.42Å; G111-V115 PolarHBondContact N-O 2.96Å; P112-V115 WeakPolarHBondContact O-CG2 3.27Å; G113-V115 VanDerWaalsContact C-N 3.33Å; G113-V115 PolarHBondContact O-N 3Å |
| 116 | F | 93.4 | Very high | 85.2 | Confident | 112 Ų | 112 | 72.3 Ų | 72.3 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 139.6 | 170.4 | -61.6 | -58 | 0 | 0 | 0 | 110.8 | H80 M81 E82 | H80-F116 AromaticContact CE1-CD1 3.75Å; H80-F116 AromaticContact CE1-CE1 3.57Å; H80-F116 AromaticContact ND1-CD1 3.57Å; H80-F116 AromaticContact ND1-CE1 3.87Å; H80-F116 VanDerWaalsContact O-CA 3.29Å; H80-F116 WeakPolarHBondContact O-CA 3.42Å; H80-F116 WeakPolarHBondContact O-CD1 3.4Å; M81-F116 HydrophobicContact CB-CB 4.45Å; E82-F116 HydrophobicContact CG-CZ 4.41Å |
| 117 | C | 93.7 | Very high | 83.3 | Confident | 9 Ų | 9 | 80.9 Ų | 80.9 | 6% | 0.061 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 152.7 | 174.2 | 3.3 | 0 | 0 | 0 | 0 | 111.3 | H80 M81 L87 E91 | H80-C117 PolarHBondContact O-N 2.7Å; H80-C117 PolarHBondContact O-SG 2.88Å; H80-C117 VanDerWaalsContact O-SG 3.39Å; M81-C117 HydrophobicContact CE-CB 3.38Å; M81-C117 VanDerWaalsContact CE-O 3.28Å; M81-C117 WeakPolarHBondContact CE-O 3.33Å; L87-C117 HydrophobicContact CD2-CB 3.64Å; E91-C117 VanDerWaalsContact OE1-CA 3.32Å; E91-C117 WeakPolarHBondContact OE1-CA 3.32Å; E91-C117 WeakPolarHBondContact OE1-CB 3.17Å |
| 118 | I | 90.4 | Very high | 81.4 | Confident | 139 Ų | 139 | 85.3 Ų | 85.3 | 71% | 0.713 | 44% | 0.441 | S | S | * | . | trans | -71.9 | -48.5 | -173.9 | -53.1 | 178.6 | 0 | 0 | 0 | 110.3 | E91 | E91-I118 HydrophobicContact CG-CB 4.36Å; E91-I118 HydrophobicContact CG-CD1 4.2Å; E91-I118 HydrophobicContact CG-CG1 4.26Å; E91-I118 PolarHBondContact OE1-N 3.13Å | ||
| 119 | G | 89 | Confident | 79.4 | Confident | 7 Ų | 7 | 83.6 Ų | 83.6 | 7% | 0.072 | 44% | 0.439 | C | S | . | . | trans | 78.5 | 171 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S86 E91 | S86-G119 WeakPolarHBondContact O-CA 3.44Å; E91-G119 PolarHBondContact OE2-N 3.1Å | ||
| 120 | S | 85.4 | Confident | 77.4 | Confident | 21 Ų | 21 | 91.3 Ų | 91.3 | 15% | 0.147 | 48% | 0.476 | C | S | . | . | trans | -77.1 | 129.8 | -172.9 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | V49 S86 R122 | V49-S120 WeakPolarHBondContact CG1-OG 3.45Å; V49-S120 VanDerWaalsContact CG2-OG 3.32Å; V49-S120 WeakPolarHBondContact CG2-OG 3.39Å; S86-S120 WeakPolarHBondContact CB-OG 3.42Å; S86-S120 PolarHBondContact OG-N 2.82Å; S86-S120 PolarHBondContact OG-OG 2.71Å; S120-R122 PolarHBondContact O-N 3.12Å; S120-R122 VanDerWaalsContact O-N 3.15Å | ||
| 121 | E | 78.6 | Confident | 75.3 | Confident | 157 Ų | 157 | 99.6 Ų | 99.6 | 73% | 0.734 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -56.3 | -29 | 169.2 | -65.2 | 161.5 | -145.9 | 0 | 0 | 111.9 | K88 R123 | K88-E121 IonicContact NZ-OE1 3.47Å; K88-E121 PolarHBondContact NZ-OE1 2.99Å; E121-R123 VanDerWaalsContact C-N 3.32Å; E121-R123 PolarHBondContact O-N 3.11Å; E121-R123 VanDerWaalsContact O-N 3.13Å |
| 122 | R | 71.2 | Confident | 73.4 | Confident | 211 Ų | 211 | 108.8 Ų | 108.8 | 80% | 0.796 | 55% | 0.545 | S | S | * | . | trans | -87.1 | 62 | 178.5 | -59.3 | -161.3 | -170.9 | -71.1 | 0.6 | 112.3 | S120 P124 | S120-R122 PolarHBondContact O-N 3.12Å; S120-R122 VanDerWaalsContact O-N 3.15Å; R122-P124 WeakPolarHBondContact O-CD 3.43Å; R122-P124 VanDerWaalsContact O-N 3.15Å | ||
| 123 | R | 68.9 | Low | 71.7 | Confident | 159 Ų | 159 | 112.2 Ų | 112.2 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | trans | -56.6 | 120.1 | 163.7 | -173 | 170.4 | -175 | 147.7 | -3.6 | 108.7 | F84 E121 K125 | F84-R123 HydrophobicContact CD1-CG 3.92Å; F84-R123 HydrophobicContact CE1-CG 4.32Å; F84-R123 HydrophobicContact CG-CG 4.24Å; E121-R123 VanDerWaalsContact C-N 3.32Å; E121-R123 PolarHBondContact O-N 3.11Å; E121-R123 VanDerWaalsContact O-N 3.13Å; R123-K125 PolarHBondContact O-N 2.91Å | ||
| 124 | P | 63.9 | Low | 70.2 | Confident | 61 Ų | 61 | 113.8 Ų | 113.8 | 40% | 0.396 | 55% | 0.549 | S | S | . | . | trans | -61.6 | 111.6 | 177.1 | 23.3 | -32.1 | 0 | 0 | 0 | 107.4 | V49 F84 R122 G126 | V49-P124 HydrophobicContact CG1-CG 4.27Å; F84-P124 HydrophobicContact CE1-CG 4.37Å; F84-P124 HydrophobicContact CE2-CG 4.25Å; F84-P124 HydrophobicContact CZ-CG 3.75Å; R122-P124 WeakPolarHBondContact O-CD 3.43Å; R122-P124 VanDerWaalsContact O-N 3.15Å; P124-G126 PolarHBondContact O-N 3.14Å | ||
| 125 | K | 60.3 | Low | 68.6 | Low | 151 Ų | 151 | 121.4 Ų | 121.4 | 66% | 0.657 | 57% | 0.573 | S | S | * | * | trans | -56.5 | 107.8 | 169.4 | -70.5 | 177.6 | 179.9 | 173.1 | 0 | 105.5 | R123 K127 M129 | R123-K125 PolarHBondContact O-N 2.91Å; K125-K127 PolarHBondContact O-N 2.8Å; K125-M129 HydrophobicContact CG-CE 4.3Å | ||
| 126 | G | 57.9 | Low | 66.9 | Low | 47 Ų | 47 | 119.1 Ų | 119.1 | 49% | 0.485 | 57% | 0.566 | S | S | . | * | trans | -51.7 | 142.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | P124 N128 M129 | P124-G126 PolarHBondContact O-N 3.14Å; G126-N128 PolarHBondContact O-N 2.81Å; G126-M129 PolarHBondContact O-N 3.44Å | ||
| 127 | K | 55.3 | Low | 65.9 | Low | 182 Ų | 182 | 117.1 Ų | 117.1 | 79% | 0.791 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -13.1 | -171 | -64.7 | -175.6 | 178.7 | -177.7 | 0 | 114.2 | K125 | K125-K127 PolarHBondContact O-N 2.8Š|
| 128 | N | 56 | Low | 65.4 | Low | 147 Ų | 147 | 121 Ų | 121 | 79% | 0.786 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -3.3 | 172.4 | -78.5 | -20.4 | 0 | 0 | 0 | 116.4 | G126 | G126-N128 PolarHBondContact O-N 2.81Š|
| 129 | M | 53.6 | Low | 65.2 | Low | 89 Ų | 89 | 114.6 Ų | 114.6 | 44% | 0.438 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -87.9 | -3 | 173.9 | -157.3 | 157.8 | 83.9 | 0 | 0 | 113.9 | K125 G126 R132 | K125-M129 HydrophobicContact CG-CE 4.3Å; G126-M129 PolarHBondContact O-N 3.44Å; M129-R132 HydrophobicContact CG-CG 3.89Å |
| 130 | Q | 55.3 | Low | 65.1 | Low | 163 Ų | 163 | 120.9 Ų | 120.9 | 76% | 0.762 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -91.3 | -3.9 | 169.4 | -73.4 | 168.5 | -49.4 | 0 | 0 | 113.1 | R132 | Q130-R132 VanDerWaalsContact C-N 3.32Š|
| 131 | K | 51.9 | Low | 65.2 | Low | 183 Ų | 183 | 121 Ų | 121 | 80% | 0.796 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -94.9 | 23.1 | 164.6 | -124.7 | 179.3 | -174 | -179.3 | 0 | 112.2 | R133 | K131-R133 VanDerWaalsContact C-N 3.33Å; K131-R133 PolarHBondContact O-N 2.93Å |
| 132 | R | 53.2 | Low | 65.6 | Low | 196 Ų | 196 | 115.6 Ų | 115.6 | 74% | 0.74 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -69.3 | 89.3 | 175.7 | -93.6 | -166.4 | 168.1 | -155.1 | -3.3 | 110.7 | M129 Q130 | M129-R132 HydrophobicContact CG-CG 3.89Å; Q130-R132 VanDerWaalsContact C-N 3.32Å |
| 133 | R | 55.8 | Low | 66.2 | Low | 140 Ų | 140 | 107 Ų | 107 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | trans | 54.1 | 107.7 | 173.2 | -59.7 | -168.8 | -176.6 | -142.6 | 6.5 | 114.2 | K131 K135 L145 | K131-R133 VanDerWaalsContact C-N 3.33Å; K131-R133 PolarHBondContact O-N 2.93Å; R133-K135 PolarHBondContact O-N 3.33Å; R133-L145 PolarHBondContact NH1-O 3.32Å | ||
| 134 | S | 57.6 | Low | 66.8 | Low | 102 Ų | 102 | 100.5 Ų | 100.5 | 71% | 0.713 | 50% | 0.501 | S | S | * | . | trans | -43.9 | 132.7 | 164.3 | -53 | 0 | 0 | 0 | 0 | 110.1 | G136 D137 | S134-G136 PolarHBondContact O-N 3.26Å; S134-D137 PolarHBondContact O-N 3.31Å; S134-D137 VanDerWaalsContact O-N 3.12Å | ||
| 135 | K | 55.4 | Low | 67.7 | Low | 192 Ų | 192 | 101.8 Ų | 101.8 | 84% | 0.835 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 76.4 | 179.3 | -177.5 | 177 | 177.9 | 175.6 | 0 | 110.4 | R133 | R133-K135 PolarHBondContact O-N 3.33Š|
| 136 | G | 58.3 | Low | 68.7 | Low | 34 Ų | 34 | 101.5 Ų | 101.5 | 35% | 0.351 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 166.9 | -17.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S134 R138 | S134-G136 PolarHBondContact O-N 3.26Å; G136-R138 PolarHBondContact O-N 3.03Å |
| 137 | D | 72.3 | Confident | 70 | Confident | 69 Ų | 69 | 101.9 Ų | 101.9 | 37% | 0.369 | 50% | 0.499 | S | S | . | . | trans | -79.6 | 54.5 | -177.3 | -155.5 | 26.4 | 0 | 0 | 0 | 112.9 | S134 H148 | S134-D137 PolarHBondContact O-N 3.31Å; S134-D137 VanDerWaalsContact O-N 3.12Å; D137-H148 IonicContact OD1-CE1 2.67Å; D137-H148 PolarHBondContact OD1-CE1 2.88Å; D137-H148 IonicContact OD1-NE2 2.69Å | ||
| 138 | R | 83.9 | Confident | 71.5 | Confident | 92 Ų | 92 | 97.1 Ų | 97.1 | 35% | 0.347 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -129.4 | 139.6 | 174.7 | -65 | -165.7 | -73.8 | 176.4 | -3.1 | 109 | G136 Y140 L145 H162 Q165 | G136-R138 PolarHBondContact O-N 3.03Å; R138-Y140 PolarHBondContact O-N 3.43Å; R138-Y140 VanDerWaalsContact O-N 3.11Å; R138-L145 HydrophobicContact CG-CD2 3.85Å; R138-H162 PolarHBondContact NH2-O 3.44Å; R138-Q165 VanDerWaalsContact NH1-OE1 3.16Å |
| 139 | C | 85.8 | Confident | 73.1 | Confident | 4 Ų | 4 | 92.1 Ų | 92.1 | 3% | 0.027 | 46% | 0.459 | C | S | . | . | trans | -53.4 | 117.7 | 173.6 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | N141 C142 G143 G144 H147 C152 | C139-N141 PolarHBondContact O-N 3.26Å; C139-N141 VanDerWaalsContact O-N 3.1Å; C139-C142 PolarHBondContact O-N 3.5Å; C139-C142 PolarHBondContact SG-SG 3.36Å; C139-G143 VanDerWaalsContact O-CA 3.28Å; C139-G143 WeakPolarHBondContact O-CA 3.39Å; C139-G143 PolarHBondContact O-N 2.88Å; C139-G144 PolarHBondContact N-O 2.8Å; C139-H147 WeakPolarHBondContact CB-O 3.38Å; C139-H147 PolarHBondContact SG-NE2 2.86Å; C139-H147 VanDerWaalsContact SG-NE2 3.43Å; C139-C152 VanDerWaalsContact SG-SG 3.66Å | ||
| 140 | Y | 86.3 | Confident | 74.8 | Confident | 138 Ų | 138 | 96.4 Ų | 96.4 | 54% | 0.541 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -13.9 | -179.6 | -58.9 | -60.6 | 0 | 0 | 0 | 114.7 | R138 A149 H162 | R138-Y140 PolarHBondContact O-N 3.43Å; R138-Y140 VanDerWaalsContact O-N 3.11Å; Y140-A149 HydrophobicContact CD2-CB 4.41Å; Y140-H162 AromaticContact CD1-CE1 3.38Å; Y140-H162 WeakPolarHBondContact CD1-CE1 3.35Å; Y140-H162 AromaticContact CD1-ND1 3.41Å; Y140-H162 WeakPolarHBondContact CD1-ND1 3.28Å; Y140-H162 AromaticContact CE1-CE1 3.7Å; Y140-H162 AromaticContact CE1-ND1 3.54Å |
| 141 | N | 87.9 | Confident | 76.4 | Confident | 24 Ų | 24 | 93.4 Ų | 93.4 | 13% | 0.128 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -54.1 | 177.2 | -163.1 | 40 | 0 | 0 | 0 | 111.9 | C139 A149 C152 L154 P155 Q157 | C139-N141 PolarHBondContact O-N 3.26Å; C139-N141 VanDerWaalsContact O-N 3.1Å; N141-A149 HydrophobicContact CB-CB 4.4Å; N141-C152 HydrophobicContact CB-CB 4.03Å; N141-C152 PolarHBondContact ND2-SG 3.47Å; N141-C152 VanDerWaalsContact ND2-SG 3.44Å; N141-L154 PolarHBondContact ND2-O 3.11Å; N141-P155 PolarHBondContact ND2-O 2.85Å; N141-P155 VanDerWaalsContact ND2-O 3.15Å; N141-Q157 WeakPolarHBondContact O-CB 3.49Å; N141-Q157 WeakPolarHBondContact OD1-CB 3.32Å; N141-Q157 PolarHBondContact OD1-N 3.12Å |
| 142 | C | 87.6 | Confident | 78.2 | Confident | 44 Ų | 44 | 85.7 Ų | 85.7 | 30% | 0.297 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -13 | -171.4 | 73.4 | 0 | 0 | 0 | 0 | 115.5 | C139 G144 H147 C152 L154 | C139-C142 PolarHBondContact O-N 3.5Å; C139-C142 PolarHBondContact SG-SG 3.36Å; C142-G144 VanDerWaalsContact C-N 3.34Å; C142-G144 PolarHBondContact SG-N 3.32Å; C142-H147 PolarHBondContact SG-CE1 3.36Å; C142-H147 PolarHBondContact SG-NE2 3.38Å; C142-C152 VanDerWaalsContact SG-SG 3.69Å; C142-L154 HydrophobicContact CB-CD1 3.71Å |
| 143 | G | 82.2 | Confident | 80.1 | Confident | 30 Ų | 30 | 86.3 Ų | 86.3 | 31% | 0.309 | 44% | 0.438 | S | S | . | . | trans | 84.1 | -2.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | C139 | C139-G143 VanDerWaalsContact O-CA 3.28Å; C139-G143 WeakPolarHBondContact O-CA 3.39Å; C139-G143 PolarHBondContact O-N 2.88Å | ||
| 144 | G | 83.1 | Confident | 81.6 | Confident | 22 Ų | 22 | 84.2 Ų | 84.2 | 23% | 0.227 | 44% | 0.436 | C | S | . | . | trans | -58.6 | 154.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | C139 C142 | C139-G144 PolarHBondContact N-O 2.8Å; C142-G144 VanDerWaalsContact C-N 3.34Å; C142-G144 PolarHBondContact SG-N 3.32Å | ||
| 145 | L | 81.6 | Confident | 83.2 | Confident | 89 Ų | 89 | 83.6 Ų | 83.6 | 47% | 0.466 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -99.3 | -6.3 | -169.3 | -63.1 | -172.8 | 0 | 0 | 0 | 115 | R133 R138 | R133-L145 PolarHBondContact NH1-O 3.32Å; R138-L145 HydrophobicContact CG-CD2 3.85Å |
| 146 | D | 81.5 | Confident | 84.9 | Confident | 144 Ų | 144 | 80.5 Ų | 80.5 | 77% | 0.77 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -124.2 | 9.7 | -164.3 | -46 | -65.8 | 0 | 0 | 0 | 113.1 | ||
| 147 | H | 86.1 | Confident | 86.4 | Confident | 55 Ų | 55 | 82.5 Ų | 82.5 | 26% | 0.255 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -158.7 | 158 | 175.9 | 63.2 | -84.9 | 0 | 0 | 0 | 111.3 | C139 C142 E151 C152 | C139-H147 WeakPolarHBondContact CB-O 3.38Å; C139-H147 PolarHBondContact SG-NE2 2.86Å; C139-H147 VanDerWaalsContact SG-NE2 3.43Å; C142-H147 PolarHBondContact SG-CE1 3.36Å; C142-H147 PolarHBondContact SG-NE2 3.38Å; H147-E151 HydrophobicContact CB-CB 4.01Å; H147-C152 PolarHBondContact NE2-SG 3.49Å; H147-C152 VanDerWaalsContact NE2-SG 3.36Å |
| 148 | H | 87.1 | Confident | 87.1 | Confident | 83 Ų | 83 | 83 Ų | 83 | 38% | 0.384 | 44% | 0.437 | S | S | . | . | trans | -90.4 | 165.3 | 171.5 | -81.4 | 72.2 | 0 | 0 | 0 | 111.9 | D137 K150 E151 C152 | D137-H148 IonicContact OD1-CE1 2.67Å; D137-H148 PolarHBondContact OD1-CE1 2.88Å; D137-H148 IonicContact OD1-NE2 2.69Å; H148-K150 HydrophobicContact CB-CG 4.12Å; H148-K150 PolarHBondContact O-N 3.08Å; H148-K150 VanDerWaalsContact O-N 3.08Å; H148-E151 PolarHBondContact N-OE2 2.76Å; H148-E151 CarbonylContact O-C 3.6Å; H148-E151 PolarHBondContact O-N 2.91Å; H148-C152 PolarHBondContact O-N 3.15Å | ||
| 149 | A | 88.2 | Confident | 87.3 | Confident | 42 Ų | 42 | 87 Ų | 87 | 35% | 0.347 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -56.3 | -30.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | Y140 N141 E151 C152 | Y140-A149 HydrophobicContact CD2-CB 4.41Å; N141-A149 HydrophobicContact CB-CB 4.4Å; A149-E151 VanDerWaalsContact C-N 3.25Å; A149-E151 PolarHBondContact O-N 3.14Å; A149-C152 VanDerWaalsContact O-CB 3.32Å; A149-C152 WeakPolarHBondContact O-CB 3.48Å; A149-C152 PolarHBondContact O-N 3.04Å |
| 150 | K | 89.9 | Confident | 87.5 | Confident | 179 Ų | 179 | 90.5 Ų | 90.5 | 78% | 0.778 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -66.4 | -20.1 | 174.5 | 69.9 | -171.9 | -170.2 | -177.5 | 0 | 114.6 | H148 | H148-K150 HydrophobicContact CB-CG 4.12Å; H148-K150 PolarHBondContact O-N 3.08Å; H148-K150 VanDerWaalsContact O-N 3.08Å |
| 151 | E | 88.4 | Confident | 87.5 | Confident | 99 Ų | 99 | 83.9 Ų | 83.9 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -108.8 | 7.1 | 178.7 | -69.5 | 138.4 | -153.6 | 0 | 0 | 111.4 | H147 H148 A149 K153 | H147-E151 HydrophobicContact CB-CB 4.01Å; H148-E151 PolarHBondContact N-OE2 2.76Å; H148-E151 CarbonylContact O-C 3.6Å; H148-E151 PolarHBondContact O-N 2.91Å; A149-E151 VanDerWaalsContact C-N 3.25Å; A149-E151 PolarHBondContact O-N 3.14Å; E151-K153 PolarHBondContact O-N 3.1Å |
| 152 | C | 90.3 | Very high | 87.4 | Confident | 22 Ų | 22 | 88 Ų | 88 | 15% | 0.149 | 46% | 0.463 | C | S | . | . | trans | -74.6 | 120.5 | -174.9 | -164.7 | 0 | 0 | 0 | 0 | 111.2 | C139 N141 C142 H147 H148 A149 L154 | C139-C152 VanDerWaalsContact SG-SG 3.66Å; N141-C152 HydrophobicContact CB-CB 4.03Å; N141-C152 PolarHBondContact ND2-SG 3.47Å; N141-C152 VanDerWaalsContact ND2-SG 3.44Å; C142-C152 VanDerWaalsContact SG-SG 3.69Å; H147-C152 PolarHBondContact NE2-SG 3.49Å; H147-C152 VanDerWaalsContact NE2-SG 3.36Å; H148-C152 PolarHBondContact O-N 3.15Å; A149-C152 VanDerWaalsContact O-CB 3.32Å; A149-C152 WeakPolarHBondContact O-CB 3.48Å; A149-C152 PolarHBondContact O-N 3.04Å; C152-L154 PolarHBondContact O-N 3.5Å | ||
| 153 | K | 92.1 | Very high | 87.2 | Confident | 209 Ų | 209 | 88.2 Ų | 88.2 | 91% | 0.909 | 46% | 0.459 | S | S | * | . | trans | -73.6 | -9.3 | 178.8 | -56.3 | -178.5 | -176.5 | -178.8 | 0 | 114 | E151 | E151-K153 PolarHBondContact O-N 3.1Š| ||
| 154 | L | 88.5 | Confident | 87.3 | Confident | 95 Ų | 95 | 88.4 Ų | 88.4 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -86.3 | 146.4 | 175.5 | -61.7 | -172.1 | 0 | 0 | 0 | 110.4 | N141 C142 C152 | N141-L154 PolarHBondContact ND2-O 3.11Å; C142-L154 HydrophobicContact CB-CD1 3.71Å; C152-L154 PolarHBondContact O-N 3.5Å |
| 155 | P | 90.3 | Very high | 87.4 | Confident | 89 Ų | 89 | 92.6 Ų | 92.6 | 58% | 0.578 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 157.7 | 172.3 | 26.2 | -34.7 | 0 | 0 | 0 | 111.1 | N141 Q157 | N141-P155 PolarHBondContact ND2-O 2.85Å; N141-P155 VanDerWaalsContact ND2-O 3.15Å; P155-Q157 PolarHBondContact O-N 3.5Å; P155-Q157 VanDerWaalsContact O-N 3.14Å; P155-Q157 PolarHBondContact O-NE2 2.7Å |
| 156 | P | 91 | Very high | 87.7 | Confident | 127 Ų | 127 | 90 Ų | 90 | 83% | 0.825 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 119.7 | 179 | -27.7 | 36 | 0 | 0 | 0 | 112.5 | ||
| 157 | Q | 89.4 | Confident | 88.1 | Confident | 77 Ų | 77 | 88.3 Ų | 88.3 | 36% | 0.36 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -93 | 155.5 | 179.6 | -62.2 | -57.6 | -66 | 0 | 0 | 110.4 | N141 P155 K159 | N141-Q157 WeakPolarHBondContact O-CB 3.49Å; N141-Q157 WeakPolarHBondContact OD1-CB 3.32Å; N141-Q157 PolarHBondContact OD1-N 3.12Å; P155-Q157 PolarHBondContact O-N 3.5Å; P155-Q157 VanDerWaalsContact O-N 3.14Å; P155-Q157 PolarHBondContact O-NE2 2.7Å; Q157-K159 PolarHBondContact O-N 3.21Å |
| 158 | P | 88.8 | Confident | 88.3 | Confident | 79 Ų | 79 | 90.8 Ų | 90.8 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 135.6 | 171.9 | 23.4 | -34.2 | 0 | 0 | 0 | 110.6 | K160 I167 | P158-K160 PolarHBondContact O-N 2.81Å; P158-I167 HydrophobicContact CB-CG2 4.25Å; P158-I167 HydrophobicContact CG-CG2 4.04Å |
| 159 | K | 87 | Confident | 88.5 | Confident | 176 Ų | 176 | 88.9 Ų | 88.9 | 77% | 0.765 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 133.3 | -178.3 | -68.7 | -179.2 | -179.6 | 175.4 | 0 | 110.2 | Q157 | Q157-K159 PolarHBondContact O-N 3.21Š|
| 160 | K | 89.6 | Confident | 88.6 | Confident | 77 Ų | 77 | 92.9 Ų | 92.9 | 34% | 0.335 | 48% | 0.476 | S | S | . | . | trans | -111.5 | 146.2 | -177.8 | -69.2 | 165.8 | -168.7 | 172.1 | 0 | 110.8 | P158 H162 Q165 S166 I167 | P158-K160 PolarHBondContact O-N 2.81Å; K160-H162 PolarHBondContact O-N 3.39Å; K160-H162 VanDerWaalsContact O-N 3.13Å; K160-Q165 WeakPolarHBondContact CG-O 3.38Å; K160-S166 CarbonylContact C-O 3.53Å; K160-S166 WeakPolarHBondContact CA-O 3.21Å; K160-I167 HydrophobicContact CD-CG2 4.45Å; K160-I167 HydrophobicContact CG-CG2 3.69Å | ||
| 161 | C | 87.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 86.5 Ų | 86.5 | 0% | 0 | 45% | 0.453 | C | S | . | . | trans | -54.7 | 117 | 168.1 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | F163 Q165 S166 H169 | C161-F163 PolarHBondContact O-N 2.8Å; C161-Q165 WeakPolarHBondContact O-CA 3.46Å; C161-Q165 PolarHBondContact O-N 3.18Å; C161-S166 PolarHBondContact N-O 3.43Å; C161-H169 WeakPolarHBondContact CB-O 3.41Å | ||
| 162 | H | 85.8 | Confident | 88.6 | Confident | 109 Ų | 109 | 86.2 Ų | 86.2 | 51% | 0.505 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -16.3 | 179.3 | -57 | -81.5 | 0 | 0 | 0 | 114.1 | R138 Y140 K160 V171 | R138-H162 PolarHBondContact NH2-O 3.44Å; Y140-H162 AromaticContact CD1-CE1 3.38Å; Y140-H162 WeakPolarHBondContact CD1-CE1 3.35Å; Y140-H162 AromaticContact CD1-ND1 3.41Å; Y140-H162 WeakPolarHBondContact CD1-ND1 3.28Å; Y140-H162 AromaticContact CE1-CE1 3.7Å; Y140-H162 AromaticContact CE1-ND1 3.54Å; K160-H162 PolarHBondContact O-N 3.39Å; K160-H162 VanDerWaalsContact O-N 3.13Å; H162-V171 HydrophobicContact CB-CB 4.45Å |
| 163 | F | 83 | Confident | 88.6 | Confident | 49 Ų | 49 | 89.6 Ų | 89.6 | 22% | 0.215 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -65 | 178 | -172.9 | -96.1 | 0 | 0 | 0 | 112.4 | C161 V171 L176 K177 Q180 | C161-F163 PolarHBondContact O-N 2.8Å; F163-V171 HydrophobicContact CB-CG2 3.95Å; F163-L176 HydrophobicContact CD1-CB 4.27Å; F163-L176 HydrophobicContact CE1-CB 3.88Å; F163-K177 HydrophobicContact CD1-CB 3.95Å; F163-K177 HydrophobicContact CD2-CB 4.45Å; F163-K177 HydrophobicContact CD2-CG 4.36Å; F163-K177 HydrophobicContact CE1-CB 4.23Å; F163-K177 HydrophobicContact CG-CB 4.08Å; F163-K177 HydrophobicContact CG-CG 4.43Å; F163-Q180 VanDerWaalsContact CZ-OE1 3.3Å |
| 164 | C | 85.3 | Confident | 88.5 | Confident | 35 Ų | 35 | 79.8 Ų | 79.8 | 24% | 0.236 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -2.2 | -174.2 | 69.8 | 0 | 0 | 0 | 0 | 115.5 | S166 H169 C174 L176 | C164-S166 PolarHBondContact O-N 3.13Å; C164-H169 PolarHBondContact SG-NE2 3.49Å; C164-C174 PolarHBondContact SG-SG 3.2Å; C164-L176 HydrophobicContact CB-CD1 3.78Å |
| 165 | Q | 84.6 | Confident | 88.5 | Confident | 109 Ų | 109 | 78.5 Ų | 78.5 | 51% | 0.509 | 45% | 0.446 | S | S | . | . | trans | 67.4 | 6.2 | -179.9 | -58.3 | 154.6 | 103.4 | 0 | 0 | 116.1 | R138 K160 C161 | R138-Q165 VanDerWaalsContact NH1-OE1 3.16Å; K160-Q165 WeakPolarHBondContact CG-O 3.38Å; C161-Q165 WeakPolarHBondContact O-CA 3.46Å; C161-Q165 PolarHBondContact O-N 3.18Å | ||
| 166 | S | 87.9 | Confident | 88.3 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 25% | 0.245 | 44% | 0.44 | C | S | . | . | trans | -60.2 | 141.5 | 170.6 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | K160 C161 C164 S168 H169 | K160-S166 CarbonylContact C-O 3.53Å; K160-S166 WeakPolarHBondContact CA-O 3.21Å; C161-S166 PolarHBondContact N-O 3.43Å; C164-S166 PolarHBondContact O-N 3.13Å; S166-S168 PolarHBondContact OG-N 3.34Å; S166-H169 VanDerWaalsContact CB-CE1 3.46Å; S166-H169 WeakPolarHBondContact CB-CE1 3.35Å | ||
| 167 | I | 88.9 | Confident | 88 | Confident | 108 Ų | 108 | 77.2 Ų | 77.2 | 55% | 0.554 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -83.9 | -14.9 | 172.5 | 56 | 170.9 | 0 | 0 | 0 | 113.4 | P158 K160 | P158-I167 HydrophobicContact CB-CG2 4.25Å; P158-I167 HydrophobicContact CG-CG2 4.04Å; K160-I167 HydrophobicContact CD-CG2 4.45Å; K160-I167 HydrophobicContact CG-CG2 3.69Å |
| 168 | S | 91.3 | Very high | 87.7 | Confident | 107 Ų | 107 | 77.7 Ų | 77.7 | 75% | 0.748 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -83.4 | -14.7 | -170.3 | -46.8 | 0 | 0 | 0 | 0 | 113.8 | S166 | S166-S168 PolarHBondContact OG-N 3.34Š|
| 169 | H | 90.3 | Very high | 87.4 | Confident | 44 Ų | 44 | 81 Ų | 81 | 20% | 0.204 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -152.4 | 158.1 | -179 | 60.1 | -98 | 0 | 0 | 0 | 111.3 | C161 C164 S166 C174 | C161-H169 WeakPolarHBondContact CB-O 3.41Å; C164-H169 PolarHBondContact SG-NE2 3.49Å; S166-H169 VanDerWaalsContact CB-CE1 3.46Å; S166-H169 WeakPolarHBondContact CB-CE1 3.35Å; H169-C174 VanDerWaalsContact CD2-CA 3.48Å; H169-C174 WeakPolarHBondContact CD2-CA 3.49Å; H169-C174 PolarHBondContact NE2-SG 2.96Å |
| 170 | M | 90.3 | Very high | 86.5 | Confident | 125 Ų | 125 | 78.7 Ų | 78.7 | 62% | 0.616 | 44% | 0.439 | S | S | * | . | trans | -92.1 | 169.2 | 170.8 | -65.5 | -165.6 | -66.9 | 0 | 0 | 111.6 | A172 S173 C174 | M170-A172 PolarHBondContact O-N 3.32Å; M170-S173 PolarHBondContact O-N 3Å; M170-C174 PolarHBondContact O-N 3.3Å | ||
| 171 | V | 88.9 | Confident | 85 | Confident | 46 Ų | 46 | 77.4 Ų | 77.4 | 28% | 0.279 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -58.7 | -20.8 | -176.7 | 67.4 | 0 | 0 | 0 | 0 | 114.8 | H162 F163 K177 | H162-V171 HydrophobicContact CB-CB 4.45Å; F163-V171 HydrophobicContact CB-CG2 3.95Å; V171-K177 HydrophobicContact CG2-CD 3.78Å; V171-K177 WeakPolarHBondContact O-CD 3.48Å |
| 172 | A | 89.2 | Confident | 83.3 | Confident | 93 Ų | 93 | 84 Ų | 84 | 77% | 0.769 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -69.2 | -32.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | M170 | M170-A172 PolarHBondContact O-N 3.32Š|
| 173 | S | 90.8 | Very high | 81.4 | Confident | 92 Ų | 92 | 84.1 Ų | 84.1 | 64% | 0.643 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -113.5 | 26 | -175.9 | -45.9 | 0 | 0 | 0 | 0 | 111.8 | M170 P175 | M170-S173 PolarHBondContact O-N 3Å; S173-P175 WeakPolarHBondContact O-CD 3.37Å |
| 174 | C | 90.3 | Very high | 79.7 | Confident | 3 Ų | 3 | 86.7 Ų | 86.7 | 2% | 0.02 | 53% | 0.534 | C | S | . | . | trans | -83.5 | 114.3 | -175.3 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | C164 H169 M170 L176 K177 A178 | C164-C174 PolarHBondContact SG-SG 3.2Å; H169-C174 VanDerWaalsContact CD2-CA 3.48Å; H169-C174 WeakPolarHBondContact CD2-CA 3.49Å; H169-C174 PolarHBondContact NE2-SG 2.96Å; M170-C174 PolarHBondContact O-N 3.3Å; C174-L176 VanDerWaalsContact C-N 3.3Å; C174-L176 PolarHBondContact O-N 3.44Å; C174-K177 HydrophobicContact CB-CB 3.86Å; C174-K177 WeakPolarHBondContact O-CB 3.48Å; C174-K177 PolarHBondContact O-N 3.31Å; C174-A178 PolarHBondContact O-N 3Å | ||
| 175 | P | 88.8 | Confident | 78 | Confident | 68 Ų | 68 | 94 Ų | 94 | 44% | 0.442 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.8 | -38 | -176.6 | 24.7 | -33.4 | 0 | 0 | 0 | 111.8 | S173 K177 A178 Q179 | S173-P175 WeakPolarHBondContact O-CD 3.37Å; P175-K177 PolarHBondContact O-N 3.04Å; P175-A178 PolarHBondContact O-N 3.21Å; P175-Q179 VanDerWaalsContact O-CG 3.31Å; P175-Q179 WeakPolarHBondContact O-CG 3.31Å; P175-Q179 PolarHBondContact O-N 3.18Å |
| 176 | L | 86.4 | Confident | 75.8 | Confident | 87 Ų | 87 | 92.4 Ų | 92.4 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.3 | -22.3 | 176.4 | -60.8 | 178.4 | 0 | 0 | 0 | 113.5 | F163 C164 C174 Q180 | F163-L176 HydrophobicContact CD1-CB 4.27Å; F163-L176 HydrophobicContact CE1-CB 3.88Å; C164-L176 HydrophobicContact CB-CD1 3.78Å; C174-L176 VanDerWaalsContact C-N 3.3Å; C174-L176 PolarHBondContact O-N 3.44Å; L176-Q180 WeakPolarHBondContact O-CG 3.49Å |
| 177 | K | 84.7 | Confident | 73.5 | Confident | 103 Ų | 103 | 99.4 Ų | 99.4 | 45% | 0.448 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -84 | -38.3 | 172.4 | -170.9 | -171.5 | 168.9 | -160.3 | 0 | 111 | F163 V171 C174 P175 Q179 Q180 | F163-K177 HydrophobicContact CD1-CB 3.95Å; F163-K177 HydrophobicContact CD2-CB 4.45Å; F163-K177 HydrophobicContact CD2-CG 4.36Å; F163-K177 HydrophobicContact CE1-CB 4.23Å; F163-K177 HydrophobicContact CG-CB 4.08Å; F163-K177 HydrophobicContact CG-CG 4.43Å; V171-K177 HydrophobicContact CG2-CD 3.78Å; V171-K177 WeakPolarHBondContact O-CD 3.48Å; C174-K177 HydrophobicContact CB-CB 3.86Å; C174-K177 WeakPolarHBondContact O-CB 3.48Å; C174-K177 PolarHBondContact O-N 3.31Å; P175-K177 PolarHBondContact O-N 3.04Å; K177-Q179 VanDerWaalsContact C-N 3.31Å; K177-Q179 PolarHBondContact O-N 2.96Å; K177-Q180 PolarHBondContact O-N 3.4Å |
| 178 | A | 83.5 | Confident | 71.2 | Confident | 86 Ų | 86 | 100.6 Ų | 100.6 | 71% | 0.711 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.6 | -34.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | C174 P175 Q180 | C174-A178 PolarHBondContact O-N 3Å; P175-A178 PolarHBondContact O-N 3.21Å; A178-Q180 VanDerWaalsContact C-N 3.27Å; A178-Q180 PolarHBondContact O-N 3.31Å |
| 179 | Q | 80.7 | Confident | 69 | Low | 150 Ų | 150 | 102 Ų | 102 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -18.4 | 174.7 | -69.8 | 167.4 | 3.6 | 0 | 0 | 113.6 | P175 K177 G181 | P175-Q179 VanDerWaalsContact O-CG 3.31Å; P175-Q179 WeakPolarHBondContact O-CG 3.31Å; P175-Q179 PolarHBondContact O-N 3.18Å; K177-Q179 VanDerWaalsContact C-N 3.31Å; K177-Q179 PolarHBondContact O-N 2.96Å; Q179-G181 PolarHBondContact O-N 3.47Å |
| 180 | Q | 69.7 | Low | 66.6 | Low | 127 Ų | 127 | 109.5 Ų | 109.5 | 59% | 0.593 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -91.3 | 85.9 | 173.5 | -68.9 | -175.2 | 12.8 | 0 | 0 | 109.3 | F163 L176 K177 A178 | F163-Q180 VanDerWaalsContact CZ-OE1 3.3Å; L176-Q180 WeakPolarHBondContact O-CG 3.49Å; K177-Q180 PolarHBondContact O-N 3.4Å; A178-Q180 VanDerWaalsContact C-N 3.27Å; A178-Q180 PolarHBondContact O-N 3.31Å |
| 181 | G | 57 | Low | 64.2 | Low | 49 Ų | 49 | 111 Ų | 111 | 51% | 0.505 | 65% | 0.654 | S | S | . | * | trans | -52.5 | 158.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q179 S183 | Q179-G181 PolarHBondContact O-N 3.47Å; G181-S183 PolarHBondContact O-N 3.18Å | ||
| 182 | P | 52.7 | Low | 61.8 | Low | 138 Ų | 138 | 118.9 Ų | 118.9 | 90% | 0.896 | 68% | 0.678 | S | S | * | * | trans | -63.3 | 102.6 | -172.8 | 26.8 | -34.5 | 0 | 0 | 0 | 110.8 | A184 | P182-A184 PolarHBondContact O-N 2.99Š| ||
| 183 | S | 44.4 | Very low | 59.8 | Low | 113 Ų | 113 | 120.8 Ų | 120.8 | 79% | 0.79 | 67% | 0.671 | S | S | * | * | trans | -62.8 | 123.6 | 171.7 | -67.3 | 0 | 0 | 0 | 0 | 109.2 | G181 Q185 | G181-S183 PolarHBondContact O-N 3.18Å; S183-Q185 PolarHBondContact O-N 2.88Å | ||
| 184 | A | 48.5 | Very low | 57.6 | Low | 102 Ų | 102 | 124.4 Ų | 124.4 | 84% | 0.843 | 68% | 0.678 | S | S | * | * | trans | -43.2 | 115.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P182 | P182-A184 PolarHBondContact O-N 2.99Š| ||
| 185 | Q | 48.3 | Very low | 55.7 | Low | 189 Ų | 189 | 132.3 Ų | 132.3 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | trans | -109.1 | 79.6 | 158.6 | -71.9 | -166.7 | -19.9 | 0 | 0 | 108.5 | S183 K187 | S183-Q185 PolarHBondContact O-N 2.88Å; Q185-K187 PolarHBondContact O-N 3.27Å | ||
| 186 | G | 38.5 | Very low | 53.8 | Low | 75 Ų | 75 | 138.9 Ų | 138.9 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | -62.9 | 122.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 187 | K | 40.9 | Very low | 51.8 | Low | 183 Ų | 183 | 142.4 Ų | 142.4 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | -128 | 117.4 | 157.4 | -79.8 | -175 | 174.8 | -177.1 | 0 | 106.8 | Q185 T189 | Q185-K187 PolarHBondContact O-N 3.27Å; K187-T189 PolarHBondContact O-N 3.23Å | ||
| 188 | P | 40.9 | Very low | 50 | Low | 132 Ų | 132 | 142.7 Ų | 142.7 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | -73.9 | 109.7 | 168 | 30 | -30 | 0 | 0 | 0 | 108 | ||||
| 189 | T | 45.1 | Very low | 47.9 | Very low | 136 Ų | 136 | 147 Ų | 147 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -82.2 | 112 | 165.4 | 45.6 | 0 | 0 | 0 | 0 | 108.2 | K187 | K187-T189 PolarHBondContact O-N 3.23Š| ||
| 190 | Y | 38.7 | Very low | 46.2 | Very low | 202 Ų | 202 | 145.2 Ų | 145.2 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | trans | -74.4 | 126.6 | 177 | -169 | -94 | 0 | 0 | 0 | 109.7 | ||||
| 191 | F | 40.8 | Very low | 45.3 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | trans | 44.6 | 125.2 | 163.2 | -80.9 | -100.8 | 0 | 0 | 0 | 120.5 | ||||
| 192 | R | 37.8 | Very low | 44.7 | Very low | 210 Ų | 210 | 147.2 Ų | 147.2 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | -156.8 | 156.2 | 111.4 | -147 | 165.8 | 68.8 | 160.7 | 7.4 | 110.8 | |||||
| 193 | E | 47.5 | Very low | 44.6 | Very low | 134 Ų | 134 | 149 Ų | 149 | 63% | 0.626 | 79% | 0.791 | S | S | * | * | trans | -58.7 | 161.3 | 176.5 | -56 | 95.7 | 142.9 | 0 | 0 | 111.8 | ||||
| 194 | E | 44.7 | Very low | 45.2 | Very low | 168 Ų | 168 | 151 Ų | 151 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | -147.1 | 139.7 | 80.9 | -80.8 | 135.3 | 174.3 | 0 | 0 | 114.5 | |||||
| 195 | E | 49.8 | Very low | 45.6 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -41.8 | 142.5 | 156 | 57 | -146.6 | 40.6 | 0 | 0 | 116.8 | ||||
| 196 | E | 49 | Very low | 46.1 | Very low | 205 Ų | 205 | 152 Ų | 152 | 96% | 0.958 | 79% | 0.79 | S | S | * | * | trans | -154.6 | 157 | 139.4 | -83.1 | -140.8 | 108.1 | 0 | 0 | 109.7 | ||||
| 197 | E | 45.3 | Very low | 46.9 | Very low | 161 Ų | 161 | 154.4 Ų | 154.4 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -133.2 | 167.8 | -149.4 | -131.2 | -82.2 | 84.8 | 0 | 0 | 111.9 | ||||
| 198 | I | 45.2 | Very low | 47.7 | Very low | 110 Ų | 110 | 154.5 Ų | 154.5 | 56% | 0.564 | 79% | 0.793 | S | S | * | * | trans | 68.9 | 111.2 | 165.5 | -31 | 119.9 | 0 | 0 | 0 | 117.8 | ||||
| 199 | H | 41.3 | Very low | 48.1 | Very low | 177 Ų | 177 | 159.2 Ų | 159.2 | 82% | 0.819 | 81% | 0.811 | S | S | * | * | -179.8 | 107.3 | 103.7 | -92.1 | 91.3 | 0 | 0 | 0 | 113.1 | |||||
| 200 | S | 43.4 | Very low | 48.3 | Very low | 111 Ų | 111 | 160.4 Ų | 160.4 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -66.4 | 163 | 159.8 | -53.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 201 | P | 51 | Low | 48.8 | Very low | 130 Ų | 130 | 158.2 Ų | 158.2 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | -138.2 | 163.4 | 90.3 | 32.8 | -17.3 | 0 | 0 | 0 | 114.9 | |||||
| 202 | A | 45.7 | Very low | 49.2 | Very low | 88 Ų | 88 | 158.2 Ų | 158.2 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -79.8 | 155.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 203 | L | 48.8 | Very low | 49.9 | Very low | 176 Ų | 176 | 155.2 Ų | 155.2 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -112.1 | 126.2 | 157.7 | -76.7 | 169.6 | 0 | 0 | 0 | 108.9 | ||||
| 204 | L | 58.1 | Low | 50 | Low | 154 Ų | 154 | 156.5 Ų | 156.5 | 81% | 0.806 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -83 | 152.4 | 178.5 | -67.3 | 167.4 | 0 | 0 | 0 | 110.7 | ||
| 205 | P | 56.2 | Low | 50.4 | Low | 116 Ų | 116 | 155.7 Ų | 155.7 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 119.8 | 167 | 31.7 | -30.3 | 0 | 0 | 0 | 110.1 | ||
| 206 | E | 60.3 | Low | 50.4 | Low | 198 Ų | 198 | 154.8 Ų | 154.8 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 126 | 171.2 | -67.8 | -171 | 104.9 | 0 | 0 | 110.8 | ||
| 207 | T | 53.9 | Low | 50.5 | Low | 124 Ų | 124 | 150.9 Ų | 150.9 | 76% | 0.761 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 143.4 | 170.9 | 51.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 208 | Q | 57.8 | Low | 51 | Low | 186 Ų | 186 | 150.1 Ų | 150.1 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | trans | 87.4 | 106.1 | 145.6 | -158.3 | 168.4 | 11.7 | 0 | 0 | 119.1 | ||||
| 209 | N | 50 | Low | 51.5 | Low | 231 Ų | 231 | 153.7 Ų | 153.7 | 100% | 1.235 | 86% | 0.858 | S | S | * | * | -142.4 | 0 | 114.2 | -160.1 | -20.9 | 0 | 0 | 0 | 108.5 |
Retrieved 209 of 209 residues in 67.7 ms
(Link to these results)