| 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 | V | 41.4 | Very low | 35.8 | Very low | 199 Ų | 199 | 176.5 Ų | 176.5 | 100% | 1.206 | 84% | 0.836 | S | S | * | * | 0 | 129.8 | 0 | 173 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 2 | N | 28.7 | Very low | 35.8 | Very low | 143 Ų | 143 | 168.4 Ų | 168.4 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | trans | -40.8 | 161 | 166 | -68.9 | -26.8 | 0 | 0 | 0 | 113.3 | ||||
| 3 | L | 31.1 | Very low | 35.8 | Very low | 143 Ų | 143 | 167.5 Ų | 167.5 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | cis | -166 | 163.4 | -3.2 | -136.6 | 70.5 | 0 | 0 | 0 | 103.8 | ||||
| 4 | R | 36.3 | Very low | 36 | Very low | 206 Ų | 206 | 165 Ų | 165 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | -173.3 | 139.5 | 71.4 | -81 | -169.6 | 173.5 | 179.7 | -1.6 | 110.4 | |||||
| 5 | R | 39.5 | Very low | 35.7 | Very low | 236 Ų | 236 | 169.5 Ų | 169.5 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | trans | -69.1 | 160.1 | 154.6 | -60.7 | 167.2 | 174.1 | 171.1 | -3.2 | 109.8 | ||||
| 6 | R | 36 | Very low | 35.8 | Very low | 232 Ų | 232 | 169.1 Ų | 169.1 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | trans | -149.4 | 117.3 | 132.4 | -107.8 | 166.7 | -162.9 | -153.7 | 1 | 111.1 | ||||
| 7 | K | 34.2 | Very low | 36 | Very low | 187 Ų | 187 | 168.4 Ų | 168.4 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -88.4 | 178.2 | 160.2 | -86.9 | -174 | 170.6 | -174.8 | 0 | 108.5 | ||||
| 8 | M | 31.8 | Very low | 36 | Very low | 154 Ų | 154 | 167.2 Ų | 167.2 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | 78.6 | 146.2 | 161.4 | -68 | 141.1 | 65.6 | 0 | 0 | 115.3 | ||||
| 9 | Q | 31.3 | Very low | 36 | Very low | 164 Ų | 164 | 167.7 Ų | 167.7 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | cis | -157.3 | 160 | 3.9 | -127.8 | 151.7 | -29.8 | 0 | 0 | 112 | ||||
| 10 | I | 39.1 | Very low | 35.9 | Very low | 157 Ų | 157 | 166.8 Ų | 166.8 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | trans | -91.1 | 138.8 | 162.1 | -65.9 | 168.4 | 0 | 0 | 0 | 106 | ||||
| 11 | P | 44.8 | Very low | 35.7 | Very low | 121 Ų | 121 | 164.8 Ų | 164.8 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | -145.3 | -160.9 | 65.8 | 41.7 | -18.7 | 0 | 0 | 0 | 113.4 | |||||
| 12 | A | 35.6 | Very low | 35.2 | Very low | 79 Ų | 79 | 160.3 Ų | 160.3 | 65% | 0.653 | 80% | 0.799 | S | S | * | * | cis | -156.9 | 149.3 | 8.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 13 | L | 35.6 | Very low | 35.3 | Very low | 157 Ų | 157 | 158.6 Ų | 158.6 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | 50.5 | 141.3 | 128.2 | -72.4 | 173.2 | 0 | 0 | 0 | 125 | |||||
| 14 | I | 38.2 | Very low | 35.3 | Very low | 132 Ų | 132 | 164.2 Ų | 164.2 | 68% | 0.677 | 82% | 0.816 | S | S | * | * | trans | 74.3 | 117 | 153.9 | -60.9 | 149.6 | 0 | 0 | 0 | 117.3 | ||||
| 15 | W | 32.5 | Very low | 35.3 | Very low | 233 Ų | 233 | 157.6 Ų | 157.6 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | -153.3 | 114.3 | 108.2 | -102 | 90.6 | 0 | 0 | 0 | 109.3 | |||||
| 16 | M | 37.6 | Very low | 35.2 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -82.1 | 135.4 | 167.5 | -78 | -91.7 | -76.4 | 0 | 0 | 108.3 | ||||
| 17 | L | 38.6 | Very low | 35.1 | Very low | 157 Ų | 157 | 148 Ų | 148 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -148.5 | 128.6 | 155.9 | -108 | 167.5 | 0 | 0 | 0 | 110 | ||||
| 18 | Q | 35.3 | Very low | 35.7 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | -83.3 | 148.6 | -178.8 | -57.3 | 166.3 | -89.4 | 0 | 0 | 110.1 | ||||
| 19 | L | 37.5 | Very low | 35.8 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 93% | 0.927 | 81% | 0.807 | S | S | * | * | trans | -129.2 | 116.1 | 145.5 | -87.1 | 175.7 | 0 | 0 | 0 | 109.8 | ||||
| 20 | L | 32.4 | Very low | 35.9 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | -77.2 | 140.5 | 169.5 | -74.9 | 148.5 | 0 | 0 | 0 | 108.9 | ||||
| 21 | S | 32.5 | Very low | 35.7 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | -131.5 | 98.4 | 161.7 | -65.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 22 | A | 30.1 | Very low | 35.5 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | -89.2 | 132.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 23 | A | 31.2 | Very low | 35.5 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | trans | -121.7 | 125.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 24 | R | 31.6 | Very low | 35.5 | Very low | 260 Ų | 260 | 148.2 Ų | 148.2 | 98% | 0.981 | 82% | 0.818 | S | S | * | * | trans | -101.9 | 130.1 | -179 | -130.5 | 176.2 | -169.2 | 164.4 | 2.5 | 108.4 | ||||
| 25 | G | 36.2 | Very low | 35.2 | Very low | 68 Ų | 68 | 151 Ų | 151 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | trans | -125.7 | 145.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 26 | P | 37.8 | Very low | 35.5 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | -90.7 | 179.8 | -167.8 | 37.5 | -36.7 | 0 | 0 | 0 | 114.2 | ||||
| 27 | D | 33.1 | Very low | 35.6 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | 72.2 | 93.4 | 167.4 | -55.1 | -25.7 | 0 | 0 | 0 | 117.8 | T29 | D27-T29 PolarHBondContact O-N 3.26Š| ||
| 28 | G | 47.9 | Very low | 35.8 | Very low | 86 Ų | 86 | 147.1 Ų | 147.1 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -80.3 | 107.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 29 | T | 33.9 | Very low | 36.4 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -130.6 | 121.9 | 150.2 | 40.3 | 0 | 0 | 0 | 0 | 109.2 | D27 V31 | D27-T29 PolarHBondContact O-N 3.26Å; T29-V31 PolarHBondContact O-N 3.39Å | ||
| 30 | S | 32.3 | Very low | 36.8 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -82 | 77 | -174.4 | 56 | 0 | 0 | 0 | 0 | 111.6 | L32 | S30-L32 PolarHBondContact O-N 3.14Š| ||
| 31 | V | 35.6 | Very low | 37.6 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -70 | 117.2 | 160.8 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | T29 R33 | T29-V31 PolarHBondContact O-N 3.39Å; V31-R33 PolarHBondContact O-N 3.38Å | ||
| 32 | L | 40.8 | Very low | 39 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | -67.6 | 68.7 | 171.5 | -78.2 | 167.8 | 0 | 0 | 0 | 110.7 | S30 F34 | S30-L32 PolarHBondContact O-N 3.14Å; L32-F34 VanDerWaalsContact C-N 3.32Å; L32-F34 PolarHBondContact O-N 3.24Å | ||
| 33 | R | 34.4 | Very low | 41.1 | Very low | 217 Ų | 217 | 135.3 Ų | 135.3 | 82% | 0.819 | 80% | 0.799 | S | S | * | * | trans | -67.5 | 99.4 | 162.3 | -174.6 | 175.6 | -79.3 | 168.2 | -5.1 | 105.7 | V31 K35 | V31-R33 PolarHBondContact O-N 3.38Å; R33-K35 VanDerWaalsContact C-N 3.27Å; R33-K35 PolarHBondContact O-N 3.14Å | ||
| 34 | F | 35.5 | Very low | 43.6 | Very low | 187 Ų | 187 | 132.4 Ų | 132.4 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | trans | -49.6 | 98.7 | 165 | -106 | -95 | 0 | 0 | 0 | 107.2 | L32 R36 | L32-F34 VanDerWaalsContact C-N 3.32Å; L32-F34 PolarHBondContact O-N 3.24Å; F34-R36 PolarHBondContact O-N 3.03Å | ||
| 35 | K | 33.3 | Very low | 46.3 | Very low | 192 Ų | 192 | 124.5 Ų | 124.5 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | trans | -62.1 | 95.9 | 154.8 | -82.2 | -175.9 | 174.6 | 179.6 | 0 | 103.8 | R33 S37 | R33-K35 VanDerWaalsContact C-N 3.27Å; R33-K35 PolarHBondContact O-N 3.14Å; K35-S37 PolarHBondContact O-N 3.44Å | ||
| 36 | R | 38 | Very low | 48.7 | Very low | 218 Ų | 218 | 127.5 Ų | 127.5 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | trans | -54 | 104.1 | 149.8 | -80.1 | -176.9 | 174.4 | 165.8 | -1.2 | 104 | F34 D38 | F34-R36 PolarHBondContact O-N 3.03Å; R36-D38 PolarHBondContact O-N 3.31Å | ||
| 37 | S | 39.3 | Very low | 51.2 | Low | 104 Ų | 104 | 122.2 Ų | 122.2 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | -53.9 | 101.3 | 153.6 | 47.6 | 0 | 0 | 0 | 0 | 104.9 | K35 P39 | K35-S37 PolarHBondContact O-N 3.44Å; S37-P39 VanDerWaalsContact O-CD 3.24Å; S37-P39 WeakPolarHBondContact O-CD 2.92Å | ||
| 38 | D | 42.6 | Very low | 54.1 | Low | 147 Ų | 147 | 115.3 Ų | 115.3 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | trans | -54.8 | 114.6 | 164.9 | -81.6 | -49 | 0 | 0 | 0 | 105.4 | R36 A40 | R36-D38 PolarHBondContact O-N 3.31Å; D38-A40 PolarHBondContact O-N 3.03Å | ||
| 39 | P | 48.1 | Very low | 56.3 | Low | 99 Ų | 99 | 113.6 Ų | 113.6 | 64% | 0.643 | 66% | 0.657 | S | S | * | * | trans | -61.5 | 140.6 | 179 | 27.4 | -33 | 0 | 0 | 0 | 107.1 | S37 G41 | S37-P39 VanDerWaalsContact O-CD 3.24Å; S37-P39 WeakPolarHBondContact O-CD 2.92Å; P39-G41 VanDerWaalsContact O-CA 3.31Å; P39-G41 WeakPolarHBondContact O-CA 3.38Å; P39-G41 PolarHBondContact O-N 2.64Å | ||
| 40 | A | 46.2 | Very low | 59.1 | Low | 104 Ų | 104 | 111 Ų | 111 | 86% | 0.86 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -46.2 | 112.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | D38 S42 | D38-A40 PolarHBondContact O-N 3.03Å; A40-S42 PolarHBondContact O-N 2.76Å |
| 41 | G | 50.2 | Low | 62 | Low | 73 Ų | 73 | 108 Ų | 108 | 75% | 0.753 | 62% | 0.619 | S | S | * | * | trans | -60.5 | 112.8 | -151.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P39 G43 | P39-G41 VanDerWaalsContact O-CA 3.31Å; P39-G41 WeakPolarHBondContact O-CA 3.38Å; P39-G41 PolarHBondContact O-N 2.64Å; G41-G43 PolarHBondContact O-N 2.88Å | ||
| 42 | S | 60.4 | Low | 64.7 | Low | 116 Ų | 116 | 103.7 Ų | 103.7 | 81% | 0.811 | 60% | 0.595 | S | S | * | * | trans | -69.1 | 58.5 | 162.5 | 45.6 | 0 | 0 | 0 | 0 | 110.2 | A40 | A40-S42 PolarHBondContact O-N 2.76Š| ||
| 43 | G | 74.3 | Confident | 66.9 | Low | 65 Ų | 65 | 101.7 Ų | 101.7 | 67% | 0.67 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 139.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G41 | G41-G43 PolarHBondContact O-N 2.88Š|
| 44 | C | 84.9 | Confident | 69.4 | Low | 46 Ų | 46 | 97.2 Ų | 97.2 | 31% | 0.311 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 158.1 | 170.1 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | C48 C51 | C44-C48 HydrophobicContact CB-CB 3.74Å; C44-C51 WeakPolarHBondContact CA-SG 3.32Å; C44-C51 HydrophobicContact CB-CB 3.77Å; C44-C51 WeakPolarHBondContact CB-SG 3.45Å; C44-C51 WeakPolarHBondContact SG-CB 2.97Å; C44-C51 PolarHBondContact SG-N 2.85Å; C44-C51 CovalentContact SG-SG 2.04Å; C44-C51 PolarHBondContact SG-SG 3.31Å |
| 45 | Q | 86.7 | Confident | 72 | Confident | 94 Ų | 94 | 92.5 Ų | 92.5 | 44% | 0.439 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -51.7 | 157.4 | 177.7 | -63.4 | 176.3 | -20.9 | 0 | 0 | 112.4 | G47 C48 | Q45-G47 PolarHBondContact O-N 2.93Å; Q45-C48 HydrophobicContact CB-CB 4.44Å; Q45-C48 WeakPolarHBondContact O-CB 3.45Å; Q45-C48 PolarHBondContact O-N 3.37Å |
| 46 | V | 88.2 | Confident | 74.8 | Confident | 131 Ų | 131 | 83.4 Ų | 83.4 | 79% | 0.794 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 134.5 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | C48 | V46-C48 PolarHBondContact O-N 2.89Š|
| 47 | G | 90.4 | Very high | 77.4 | Confident | 4 Ų | 4 | 73.2 Ų | 73.2 | 4% | 0.041 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -11.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q45 K61 | Q45-G47 PolarHBondContact O-N 2.93Å; G47-K61 WeakPolarHBondContact O-CB 3.08Å; G47-K61 PolarHBondContact O-N 2.8Å |
| 48 | C | 94.3 | Very high | 80 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 3% | 0.034 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 137.7 | 177.6 | -171.3 | 0 | 0 | 0 | 0 | 112.2 | C44 Q45 V46 T50 C57 K61 | C44-C48 HydrophobicContact CB-CB 3.74Å; Q45-C48 HydrophobicContact CB-CB 4.44Å; Q45-C48 WeakPolarHBondContact O-CB 3.45Å; Q45-C48 PolarHBondContact O-N 3.37Å; V46-C48 PolarHBondContact O-N 2.89Å; C48-T50 PolarHBondContact SG-O 3.12Å; C48-C57 VanDerWaalsContact CA-SG 3.54Å; C48-C57 HydrophobicContact CB-CB 3.94Å; C48-C57 WeakPolarHBondContact CB-SG 3.39Å; C48-C57 WeakPolarHBondContact SG-CA 3.49Å; C48-C57 WeakPolarHBondContact SG-CB 3.41Å; C48-C57 CovalentContact SG-SG 2.03Å; C48-C57 PolarHBondContact SG-SG 2.92Å; C48-K61 WeakPolarHBondContact O-CE 3Å |
| 49 | A | 93 | Very high | 82.3 | Confident | 51 Ų | 51 | 67.3 Ų | 67.3 | 42% | 0.421 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -42.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S59 K61 | A49-S59 PolarHBondContact N-O 2.85Å; A49-K61 HydrophobicContact CB-CG 3.99Å |
| 50 | T | 92.4 | Very high | 84.5 | Confident | 73 Ų | 73 | 63.8 Ų | 63.8 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 143.6 | 172.6 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | C48 C57 L58 S59 | C48-T50 PolarHBondContact SG-O 3.12Å; T50-C57 PolarHBondContact O-SG 2.02Å; T50-L58 PolarHBondContact O-N 2.96Å; T50-S59 PolarHBondContact N-O 2.84Å; T50-S59 PolarHBondContact N-OG 2.66Å; T50-S59 PolarHBondContact O-N 2.83Å; T50-S59 PolarHBondContact OG1-OG 2.77Å |
| 51 | C | 93.5 | Very high | 86.7 | Confident | 55 Ų | 55 | 64 Ų | 64 | 37% | 0.372 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 161.2 | -176.2 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | C44 G56 | C44-C51 WeakPolarHBondContact CA-SG 3.32Å; C44-C51 HydrophobicContact CB-CB 3.77Å; C44-C51 WeakPolarHBondContact CB-SG 3.45Å; C44-C51 WeakPolarHBondContact SG-CB 2.97Å; C44-C51 PolarHBondContact SG-N 2.85Å; C44-C51 CovalentContact SG-SG 2.04Å; C44-C51 PolarHBondContact SG-SG 3.31Å; C51-G56 CarbonylContact C-O 3.46Å; C51-G56 WeakPolarHBondContact CA-O 3.06Å; C51-G56 VanDerWaalsContact CB-O 3.23Å; C51-G56 WeakPolarHBondContact CB-O 3.43Å |
| 52 | S | 92.3 | Very high | 88.6 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 24% | 0.238 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 158 | 167.5 | 77.3 | 0 | 0 | 0 | 0 | 111.2 | L54 N55 G56 | S52-L54 VanDerWaalsContact C-N 3.32Å; S52-L54 PolarHBondContact O-N 3.12Å; S52-N55 PolarHBondContact OG-N 2.93Å; S52-G56 PolarHBondContact N-O 2.88Å; S52-G56 WeakPolarHBondContact O-CA 3.44Å; S52-G56 PolarHBondContact O-N 2.03Å; S52-G56 VanDerWaalsContact O-N 3.09Å |
| 53 | P | 87.1 | Confident | 90 | Very high | 121 Ų | 121 | 71.3 Ų | 71.3 | 79% | 0.786 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -43.6 | 178.4 | -26.3 | 35.6 | 0 | 0 | 0 | 112.9 | R76 | P53-R76 PolarHBondContact O-NH1 3.35Š|
| 54 | L | 86.6 | Confident | 91 | Very high | 122 Ų | 122 | 70.9 Ų | 70.9 | 64% | 0.639 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -50.5 | -174.1 | -63.3 | 171.6 | 0 | 0 | 0 | 112.7 | S52 Q74 | S52-L54 VanDerWaalsContact C-N 3.32Å; S52-L54 PolarHBondContact O-N 3.12Å; L54-Q74 PolarHBondContact O-NE2 2.74Å |
| 55 | N | 90.4 | Very high | 91.6 | Very high | 89 Ų | 89 | 69.2 Ų | 69.2 | 48% | 0.476 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -4.3 | -170.4 | -57.8 | -15.1 | 0 | 0 | 0 | 112.7 | S52 L58 R76 G77 | S52-N55 PolarHBondContact OG-N 2.93Å; N55-L58 HydrophobicContact CB-CD2 3.93Å; N55-R76 WeakPolarHBondContact O-CA 2.97Å; N55-G77 PolarHBondContact O-N 3.4Å |
| 56 | G | 92.1 | Very high | 92 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.8 | -135.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | C51 S52 R76 | C51-G56 CarbonylContact C-O 3.46Å; C51-G56 WeakPolarHBondContact CA-O 3.06Å; C51-G56 VanDerWaalsContact CB-O 3.23Å; C51-G56 WeakPolarHBondContact CB-O 3.43Å; S52-G56 PolarHBondContact N-O 2.88Å; S52-G56 WeakPolarHBondContact O-CA 3.44Å; S52-G56 PolarHBondContact O-N 2.03Å; S52-G56 VanDerWaalsContact O-N 3.09Å; G56-R76 VanDerWaalsContact CA-CZ 3.46Å |
| 57 | C | 93.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 142 | 176.4 | -161.8 | 0 | 0 | 0 | 0 | 112 | C48 T50 S59 F66 G77 C79 | C48-C57 VanDerWaalsContact CA-SG 3.54Å; C48-C57 HydrophobicContact CB-CB 3.94Å; C48-C57 WeakPolarHBondContact CB-SG 3.39Å; C48-C57 WeakPolarHBondContact SG-CA 3.49Å; C48-C57 WeakPolarHBondContact SG-CB 3.41Å; C48-C57 CovalentContact SG-SG 2.03Å; C48-C57 PolarHBondContact SG-SG 2.92Å; T50-C57 PolarHBondContact O-SG 2.02Å; C57-S59 PolarHBondContact SG-O 2.98Å; C57-F66 WeakPolarHBondContact O-CE2 3.49Å; C57-G77 VanDerWaalsContact CB-O 3.3Å; C57-G77 WeakPolarHBondContact CB-O 3.34Å; C57-G77 PolarHBondContact N-O 3.32Å; C57-C79 PolarHBondContact SG-SG 3.49Å |
| 58 | L | 92 | Very high | 92.5 | Very high | 87 Ų | 87 | 65 Ų | 65 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -29.6 | 177 | -58.3 | 177.5 | 0 | 0 | 0 | 112.1 | T50 N55 | T50-L58 PolarHBondContact O-N 2.96Å; N55-L58 HydrophobicContact CB-CD2 3.93Å |
| 59 | S | 92.4 | Very high | 92.4 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 28% | 0.28 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 142.7 | 173.9 | 69 | 0 | 0 | 0 | 0 | 111.7 | A49 T50 C57 | A49-S59 PolarHBondContact N-O 2.85Å; T50-S59 PolarHBondContact N-O 2.84Å; T50-S59 PolarHBondContact N-OG 2.66Å; T50-S59 PolarHBondContact O-N 2.83Å; T50-S59 PolarHBondContact OG1-OG 2.77Å; C57-S59 PolarHBondContact SG-O 2.98Å |
| 60 | C | 93.9 | Very high | 92.3 | Very high | 25 Ų | 25 | 71.9 Ų | 71.9 | 17% | 0.169 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 150.6 | 179.8 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | F64 F66 C79 | C60-F64 HydrophobicContact CB-CB 3.95Å; C60-F66 VanDerWaalsContact SG-CA 3.57Å; C60-C79 WeakPolarHBondContact CA-SG 3.44Å; C60-C79 HydrophobicContact CB-CB 3.95Å; C60-C79 WeakPolarHBondContact CB-SG 3.26Å; C60-C79 WeakPolarHBondContact SG-CB 3.4Å; C60-C79 CovalentContact SG-SG 2.04Å; C60-C79 PolarHBondContact SG-SG 2.96Å |
| 61 | K | 92.6 | Very high | 91.8 | Very high | 110 Ų | 110 | 74.8 Ų | 74.8 | 48% | 0.478 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 156 | 166.7 | -65.2 | -177.2 | -179.4 | 179.4 | 0 | 110 | G47 C48 A49 F64 | G47-K61 WeakPolarHBondContact O-CB 3.08Å; G47-K61 PolarHBondContact O-N 2.8Å; C48-K61 WeakPolarHBondContact O-CE 3Å; A49-K61 HydrophobicContact CB-CG 3.99Å; K61-F64 HydrophobicContact CB-CD2 4.24Å; K61-F64 PolarHBondContact O-N 2.86Å |
| 62 | P | 90.3 | Very high | 91.5 | Very high | 119 Ų | 119 | 75.5 Ų | 75.5 | 77% | 0.773 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 144.5 | 176.3 | -28.1 | 35.5 | 0 | 0 | 0 | 112.9 | F64 | P62-F64 VanDerWaalsContact C-N 3.27Å; P62-F64 PolarHBondContact O-N 2.85Å |
| 63 | R | 90.1 | Very high | 91.1 | Very high | 223 Ų | 223 | 82 Ų | 82 | 84% | 0.842 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | -11.2 | -175 | -49.5 | -173.3 | 178.6 | -164.4 | 0 | 117.2 | ||
| 64 | F | 95 | Very high | 91.1 | Very high | 55 Ų | 55 | 81 Ų | 81 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 150.7 | 171.9 | -70.8 | -100.1 | 0 | 0 | 0 | 111.3 | C60 K61 P62 C79 M80 | C60-F64 HydrophobicContact CB-CB 3.95Å; K61-F64 HydrophobicContact CB-CD2 4.24Å; K61-F64 PolarHBondContact O-N 2.86Å; P62-F64 VanDerWaalsContact C-N 3.27Å; P62-F64 PolarHBondContact O-N 2.85Å; F64-C79 HydrophobicContact CB-CB 4.13Å; F64-C79 HydrophobicContact CD1-CB 4.32Å; F64-M80 CarbonylContact C-O 3.57Å; F64-M80 WeakPolarHBondContact CA-O 3.22Å |
| 65 | F | 96.6 | Very high | 91.3 | Very high | 11 Ų | 11 | 79.4 Ų | 79.4 | 5% | 0.048 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 133.8 | 172.1 | -63.1 | -92.3 | 0 | 0 | 0 | 110.3 | C79 M80 R91 S96 C98 | F65-C79 WeakPolarHBondContact O-CA 3.44Å; F65-M80 PolarHBondContact N-O 3.24Å; F65-M80 PolarHBondContact O-N 2.64Å; F65-R91 HydrophobicContact CE1-CG 3.85Å; F65-R91 HydrophobicContact CZ-CG 4.12Å; F65-S96 CarbonylContact C-O 3.59Å; F65-S96 VanDerWaalsContact CA-O 3.31Å; F65-S96 WeakPolarHBondContact CA-O 3.13Å; F65-C98 WeakPolarHBondContact CB-SG 3.46Å |
| 66 | F | 95.8 | Very high | 91.4 | Very high | 32 Ų | 32 | 79 Ų | 79 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 132.7 | 171.5 | -173.6 | -100 | 0 | 0 | 0 | 110.6 | C57 C60 L68 I95 S96 T97 C98 | C57-F66 WeakPolarHBondContact O-CE2 3.49Å; C60-F66 VanDerWaalsContact SG-CA 3.57Å; F66-L68 HydrophobicContact CE1-CD1 4.41Å; F66-L68 HydrophobicContact CE1-CD2 3.66Å; F66-L68 HydrophobicContact CE1-CG 3.75Å; F66-L68 HydrophobicContact CZ-CD2 3.77Å; F66-L68 HydrophobicContact CZ-CG 4.36Å; F66-I95 HydrophobicContact CB-CD1 3.79Å; F66-I95 HydrophobicContact CB-CG1 4.09Å; F66-I95 HydrophobicContact CD1-CD1 4.45Å; F66-I95 HydrophobicContact CD2-CD1 4.32Å; F66-I95 HydrophobicContact CG-CD1 3.96Å; F66-S96 PolarHBondContact N-O 3.13Å; F66-T97 HydrophobicContact CD1-CG2 4.45Å; F66-T97 CarbonylContact O-C 3.48Å; F66-T97 WeakPolarHBondContact O-CA 3.43Å; F66-C98 PolarHBondContact O-N 2.71Å |
| 67 | H | 95.8 | Very high | 91.5 | Very high | 23 Ų | 23 | 79.1 Ų | 79.1 | 11% | 0.106 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.8 | 175.1 | -178.2 | 49.5 | 0 | 0 | 0 | 109.4 | E69 G77 T78 H87 C98 | H67-E69 IonicContact CD2-OE1 3.38Å; H67-G77 CarbonylContact O-C 3.59Å; H67-G77 WeakPolarHBondContact O-CA 3.36Å; H67-T78 PolarHBondContact N-O 2.85Å; H67-T78 PolarHBondContact O-N 2.81Å; H67-H87 AromaticContact CE1-CE1 3.95Å; H67-H87 AromaticContact CE1-NE2 3.69Å; H67-C98 HydrophobicContact CB-CB 4.25Å |
| 68 | L | 93.8 | Very high | 91.5 | Very high | 85 Ų | 85 | 79.5 Ų | 79.5 | 45% | 0.445 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 111.3 | 173 | -71.2 | 171.1 | 0 | 0 | 0 | 108 | F66 | F66-L68 HydrophobicContact CE1-CD1 4.41Å; F66-L68 HydrophobicContact CE1-CD2 3.66Å; F66-L68 HydrophobicContact CE1-CG 3.75Å; F66-L68 HydrophobicContact CZ-CD2 3.77Å; F66-L68 HydrophobicContact CZ-CG 4.36Å |
| 69 | E | 91.8 | Very high | 91.7 | Very high | 74 Ų | 74 | 76.1 Ų | 76.1 | 35% | 0.346 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 135.8 | 173.6 | -70.5 | 170.3 | -155.4 | 0 | 0 | 109.2 | H67 R76 T78 M80 | H67-E69 IonicContact CD2-OE1 3.38Å; E69-R76 PolarHBondContact N-O 3.25Å; E69-R76 PolarHBondContact O-N 3.11Å; E69-T78 VanDerWaalsContact CD-CG2 3.44Å; E69-T78 HydrophobicContact CG-CG2 4.28Å; E69-T78 WeakPolarHBondContact OE1-CB 3.39Å; E69-T78 VanDerWaalsContact OE1-CG2 3.22Å; E69-T78 WeakPolarHBondContact OE1-CG2 3.24Å; E69-T78 PolarHBondContact OE1-OG1 3.28Å; E69-M80 VanDerWaalsContact OE1-CE 3.25Å; E69-M80 WeakPolarHBondContact OE1-CE 3.2Å |
| 70 | L | 89.9 | Confident | 91.8 | Very high | 127 Ų | 127 | 76.8 Ų | 76.8 | 67% | 0.665 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 120.8 | 173.3 | -72.6 | 93.3 | 0 | 0 | 0 | 109.5 | Q75 | L70-Q75 VanDerWaalsContact CD2-NE2 3.29Å |
| 71 | D | 83.6 | Confident | 91.9 | Very high | 134 Ų | 134 | 79.9 Ų | 79.9 | 72% | 0.717 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 96.6 | 168.6 | -169.8 | 11.1 | 0 | 0 | 0 | 108.9 | I73 Q74 | D71-I73 PolarHBondContact O-N 2.9Å; D71-Q74 PolarHBondContact N-O 3.18Å; D71-Q74 PolarHBondContact O-N 3.05Å |
| 72 | G | 86.1 | Confident | 92 | Very high | 70 Ų | 70 | 78.8 Ų | 78.8 | 72% | 0.722 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | -106.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 73 | I | 84.9 | Confident | 92.2 | Very high | 172 Ų | 172 | 74.6 Ų | 74.6 | 88% | 0.882 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -18 | 179 | -52.5 | 175.3 | 0 | 0 | 0 | 111 | D71 | D71-I73 PolarHBondContact O-N 2.9Š|
| 74 | Q | 86.5 | Confident | 92.5 | Very high | 100 Ų | 100 | 65.9 Ų | 65.9 | 47% | 0.467 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 133 | -172.5 | -169.4 | 164.2 | -10 | 0 | 0 | 111.5 | L54 D71 | L54-Q74 PolarHBondContact O-NE2 2.74Å; D71-Q74 PolarHBondContact N-O 3.18Å; D71-Q74 PolarHBondContact O-N 3.05Å |
| 75 | Q | 90.3 | Very high | 92.4 | Very high | 88 Ų | 88 | 74.4 Ų | 74.4 | 41% | 0.411 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 128.1 | 170.3 | -58.2 | -66.5 | -39 | 0 | 0 | 108.8 | L70 | L70-Q75 VanDerWaalsContact CD2-NE2 3.29Å |
| 76 | R | 93.3 | Very high | 92.3 | Very high | 81 Ų | 81 | 74.8 Ų | 74.8 | 31% | 0.306 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 124.8 | 177 | -165.8 | 175.1 | -179.6 | 82.6 | -0.2 | 110.9 | P53 N55 G56 E69 | P53-R76 PolarHBondContact O-NH1 3.35Å; N55-R76 WeakPolarHBondContact O-CA 2.97Å; G56-R76 VanDerWaalsContact CA-CZ 3.46Å; E69-R76 PolarHBondContact N-O 3.25Å; E69-R76 PolarHBondContact O-N 3.11Å |
| 77 | G | 93.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 75.5 Ų | 75.5 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 133.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | N55 C57 H67 | N55-G77 PolarHBondContact O-N 3.4Å; C57-G77 VanDerWaalsContact CB-O 3.3Å; C57-G77 WeakPolarHBondContact CB-O 3.34Å; C57-G77 PolarHBondContact N-O 3.32Å; H67-G77 CarbonylContact O-C 3.59Å; H67-G77 WeakPolarHBondContact O-CA 3.36Å |
| 78 | T | 94.4 | Very high | 92.3 | Very high | 12 Ų | 12 | 75.4 Ų | 75.4 | 7% | 0.074 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 161.4 | 172.3 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | H67 E69 | H67-T78 PolarHBondContact N-O 2.85Å; H67-T78 PolarHBondContact O-N 2.81Å; E69-T78 VanDerWaalsContact CD-CG2 3.44Å; E69-T78 HydrophobicContact CG-CG2 4.28Å; E69-T78 WeakPolarHBondContact OE1-CB 3.39Å; E69-T78 VanDerWaalsContact OE1-CG2 3.22Å; E69-T78 WeakPolarHBondContact OE1-CG2 3.24Å; E69-T78 PolarHBondContact OE1-OG1 3.28Å |
| 79 | C | 95.2 | Very high | 92.5 | Very high | 15 Ų | 15 | 72.9 Ų | 72.9 | 10% | 0.101 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 119.6 | 179.8 | -67 | 0 | 0 | 0 | 0 | 110.1 | C57 C60 F64 F65 | C57-C79 PolarHBondContact SG-SG 3.49Å; C60-C79 WeakPolarHBondContact CA-SG 3.44Å; C60-C79 HydrophobicContact CB-CB 3.95Å; C60-C79 WeakPolarHBondContact CB-SG 3.26Å; C60-C79 WeakPolarHBondContact SG-CB 3.4Å; C60-C79 CovalentContact SG-SG 2.04Å; C60-C79 PolarHBondContact SG-SG 2.96Å; F64-C79 HydrophobicContact CB-CB 4.13Å; F64-C79 HydrophobicContact CD1-CB 4.32Å; F65-C79 WeakPolarHBondContact O-CA 3.44Å |
| 80 | M | 95.4 | Very high | 92.6 | Very high | 55 Ų | 55 | 73.5 Ų | 73.5 | 27% | 0.271 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 148 | -176.5 | -61.9 | -172 | 170.4 | 0 | 0 | 111.6 | F64 F65 E69 S82 P84 | F64-M80 CarbonylContact C-O 3.57Å; F64-M80 WeakPolarHBondContact CA-O 3.22Å; F65-M80 PolarHBondContact N-O 3.24Å; F65-M80 PolarHBondContact O-N 2.64Å; E69-M80 VanDerWaalsContact OE1-CE 3.25Å; E69-M80 WeakPolarHBondContact OE1-CE 3.2Å; M80-S82 VanDerWaalsContact C-N 3.32Å; M80-S82 WeakPolarHBondContact CB-O 3.49Å; M80-P84 HydrophobicContact SD-CG 4.38Å |
| 81 | S | 94.9 | Very high | 92.7 | Very high | 89 Ų | 89 | 76.1 Ų | 76.1 | 62% | 0.622 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -72.8 | -27.6 | 173.7 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 82 | S | 94.4 | Very high | 93 | Very high | 88 Ų | 88 | 72.1 Ų | 72.1 | 62% | 0.615 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -140.9 | 144.9 | 175.6 | -66.1 | 0 | 0 | 0 | 0 | 109.1 | M80 | M80-S82 VanDerWaalsContact C-N 3.32Å; M80-S82 WeakPolarHBondContact CB-O 3.49Å |
| 83 | C | 95.8 | Very high | 93 | Very high | 30 Ų | 30 | 75 Ų | 75 | 20% | 0.203 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -70 | 150.7 | -179.2 | -66.4 | 0 | 0 | 0 | 0 | 113.2 | H87 G89 C98 | C83-H87 HydrophobicContact CB-CB 4.08Å; C83-G89 VanDerWaalsContact SG-CA 3.51Å; C83-C98 WeakPolarHBondContact CA-SG 3.49Å; C83-C98 HydrophobicContact CB-CB 3.77Å; C83-C98 WeakPolarHBondContact CB-SG 3.44Å; C83-C98 WeakPolarHBondContact SG-CA 3.33Å; C83-C98 WeakPolarHBondContact SG-CB 3.36Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 3.33Å |
| 84 | P | 94.8 | Very high | 92.9 | Very high | 41 Ų | 41 | 75.3 Ų | 75.3 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 168.8 | 177.5 | 29 | -33.8 | 0 | 0 | 0 | 111.7 | M80 H87 | M80-P84 HydrophobicContact SD-CG 4.38Å; P84-H87 HydrophobicContact CG-CB 4.36Å; P84-H87 WeakPolarHBondContact O-CB 3.41Å; P84-H87 PolarHBondContact O-N 3.46Å; P84-H87 VanDerWaalsContact O-N 3.15Å |
| 85 | R | 93.3 | Very high | 92.9 | Very high | 234 Ų | 234 | 73.8 Ų | 73.8 | 88% | 0.883 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 147.4 | 176.7 | -69.6 | -177.2 | 176.2 | 174.2 | -0 | 111 | H87 | R85-H87 PolarHBondContact O-N 3.01Å; R85-H87 PolarHBondContact O-ND1 3.17Å |
| 86 | G | 94.6 | Very high | 93.1 | Very high | 19 Ų | 19 | 70.7 Ų | 70.7 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 13.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C101 A106 | G86-C101 PolarHBondContact O-N 3.03Å; G86-C101 PolarHBondContact O-SG 2.97Å; G86-C101 VanDerWaalsContact O-SG 3.39Å; G86-A106 WeakPolarHBondContact CA-O 3.43Å |
| 87 | H | 96.3 | Very high | 93.3 | Very high | 47 Ų | 47 | 68.4 Ų | 68.4 | 22% | 0.218 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 150.5 | 173.6 | -61.8 | 71.8 | 0 | 0 | 0 | 111.1 | H67 C83 P84 R85 C98 I99 K100 | H67-H87 AromaticContact CE1-CE1 3.95Å; H67-H87 AromaticContact CE1-NE2 3.69Å; C83-H87 HydrophobicContact CB-CB 4.08Å; P84-H87 HydrophobicContact CG-CB 4.36Å; P84-H87 WeakPolarHBondContact O-CB 3.41Å; P84-H87 PolarHBondContact O-N 3.46Å; P84-H87 VanDerWaalsContact O-N 3.15Å; R85-H87 PolarHBondContact O-N 3.01Å; R85-H87 PolarHBondContact O-ND1 3.17Å; H87-C98 HydrophobicContact CB-CB 4.26Å; H87-I99 CarbonylContact C-O 3.59Å; H87-I99 WeakPolarHBondContact CA-O 3.39Å; H87-I99 WeakPolarHBondContact CB-O 3.48Å; H87-K100 VanDerWaalsContact CD2-CA 3.46Å; H87-K100 WeakPolarHBondContact CD2-CA 3.16Å; H87-K100 PolarHBondContact CD2-N 2.93Å |
| 88 | Y | 96.8 | Very high | 93.4 | Very high | 20 Ų | 20 | 68.8 Ų | 68.8 | 8% | 0.078 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 152.2 | 170.6 | 73.1 | -80.3 | 0 | 0 | 0 | 110.7 | M90 C98 I99 C108 E111 | Y88-M90 HydrophobicContact CE2-CB 4.33Å; Y88-M90 HydrophobicContact CE2-CE 4.12Å; Y88-M90 WeakPolarHBondContact OH-CE 3.35Å; Y88-C98 WeakPolarHBondContact O-CA 3.27Å; Y88-I99 HydrophobicContact CD1-CB 4.13Å; Y88-I99 VanDerWaalsContact CD1-O 3.27Å; Y88-I99 WeakPolarHBondContact CD1-O 3.47Å; Y88-I99 HydrophobicContact CE1-CB 3.58Å; Y88-I99 HydrophobicContact CE1-CG2 3.6Å; Y88-I99 HydrophobicContact CE2-CB 4.34Å; Y88-I99 PolarHBondContact N-O 2.82Å; Y88-I99 PolarHBondContact O-N 3.23Å; Y88-C108 WeakPolarHBondContact CD1-SG 3.48Å; Y88-E111 HydrophobicContact CE1-CB 4.41Å |
| 89 | G | 95.9 | Very high | 93.5 | Very high | 33 Ų | 33 | 71 Ų | 71 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 109 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C83 | C83-G89 VanDerWaalsContact SG-CA 3.51Å |
| 90 | M | 95.2 | Very high | 93.5 | Very high | 86 Ų | 86 | 78 Ų | 78 | 42% | 0.424 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 127.5 | 170.1 | -174.1 | 176.4 | -73.9 | 0 | 0 | 109.6 | Y88 S96 T97 I99 | Y88-M90 HydrophobicContact CE2-CB 4.33Å; Y88-M90 HydrophobicContact CE2-CE 4.12Å; Y88-M90 WeakPolarHBondContact OH-CE 3.35Å; M90-S96 CarbonylContact O-C 3.49Å; M90-S96 VanDerWaalsContact O-CA 3.24Å; M90-S96 WeakPolarHBondContact O-CA 3.41Å; M90-T97 PolarHBondContact N-O 2.7Å; M90-T97 PolarHBondContact O-N 3.2Å; M90-I99 HydrophobicContact CB-CG1 3.8Å; M90-I99 HydrophobicContact CE-CG1 4.29Å; M90-I99 HydrophobicContact SD-CG1 4.39Å |
| 91 | R | 92.7 | Very high | 93.5 | Very high | 182 Ų | 182 | 75.9 Ų | 75.9 | 69% | 0.687 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125 | 173.7 | -67.1 | -169.3 | 170.7 | 97.3 | 1.2 | 110 | F65 | F65-R91 HydrophobicContact CE1-CG 3.85Å; F65-R91 HydrophobicContact CZ-CG 4.12Å |
| 92 | S | 88.8 | Confident | 93.5 | Very high | 51 Ų | 51 | 76 Ų | 76 | 36% | 0.357 | 39% | 0.39 | S | S | . | . | trans | -124.2 | 154.8 | 170.8 | 146 | 0 | 0 | 0 | 0 | 109.7 | H94 I95 | S92-H94 PolarHBondContact O-N 3.4Å; S92-H94 VanDerWaalsContact O-N 3.12Å; S92-H94 PolarHBondContact OG-N 3.38Å; S92-I95 VanDerWaalsContact CB-O 3.27Å; S92-I95 WeakPolarHBondContact CB-O 3.36Å; S92-I95 PolarHBondContact N-O 3.02Å | ||
| 93 | P | 86.3 | Confident | 93.5 | Very high | 129 Ų | 129 | 78.6 Ų | 78.6 | 84% | 0.838 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -55.7 | -24.6 | 177 | -26.5 | 35.7 | 0 | 0 | 0 | 114.7 | ||
| 94 | H | 83 | Confident | 93.4 | Very high | 180 Ų | 180 | 79 Ų | 79 | 83% | 0.833 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -97.1 | -44.5 | -176.4 | -54.3 | -62.7 | 0 | 0 | 0 | 112.8 | S92 | S92-H94 PolarHBondContact O-N 3.4Å; S92-H94 VanDerWaalsContact O-N 3.12Å; S92-H94 PolarHBondContact OG-N 3.38Å |
| 95 | I | 87.1 | Confident | 93.5 | Very high | 67 Ų | 67 | 77.3 Ų | 77.3 | 34% | 0.344 | 39% | 0.391 | S | S | . | . | trans | -153 | 136.8 | 179.9 | -167.8 | 166.4 | 0 | 0 | 0 | 109.2 | F66 S92 | F66-I95 HydrophobicContact CB-CD1 3.79Å; F66-I95 HydrophobicContact CB-CG1 4.09Å; F66-I95 HydrophobicContact CD1-CD1 4.45Å; F66-I95 HydrophobicContact CD2-CD1 4.32Å; F66-I95 HydrophobicContact CG-CD1 3.96Å; S92-I95 VanDerWaalsContact CB-O 3.27Å; S92-I95 WeakPolarHBondContact CB-O 3.36Å; S92-I95 PolarHBondContact N-O 3.02Å | ||
| 96 | S | 94.6 | Very high | 93.6 | Very high | 23 Ų | 23 | 67.4 Ų | 67.4 | 16% | 0.161 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 133.8 | 167.5 | -61.3 | 0 | 0 | 0 | 0 | 108 | F65 F66 M90 | F65-S96 CarbonylContact C-O 3.59Å; F65-S96 VanDerWaalsContact CA-O 3.31Å; F65-S96 WeakPolarHBondContact CA-O 3.13Å; F66-S96 PolarHBondContact N-O 3.13Å; M90-S96 CarbonylContact O-C 3.49Å; M90-S96 VanDerWaalsContact O-CA 3.24Å; M90-S96 WeakPolarHBondContact O-CA 3.41Å |
| 97 | T | 95.6 | Very high | 93.6 | Very high | 34 Ų | 34 | 68 Ų | 68 | 21% | 0.209 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 143.5 | -169.1 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | F66 M90 I99 | F66-T97 HydrophobicContact CD1-CG2 4.45Å; F66-T97 CarbonylContact O-C 3.48Å; F66-T97 WeakPolarHBondContact O-CA 3.43Å; M90-T97 PolarHBondContact N-O 2.7Å; M90-T97 PolarHBondContact O-N 3.2Å; T97-I99 HydrophobicContact CG2-CD1 3.86Å |
| 98 | C | 96.6 | Very high | 93.6 | Very high | 10 Ų | 10 | 66.6 Ų | 66.6 | 7% | 0.068 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 111 | 170.8 | -65.5 | 0 | 0 | 0 | 0 | 110.4 | F65 F66 H67 C83 H87 Y88 | F65-C98 WeakPolarHBondContact CB-SG 3.46Å; F66-C98 PolarHBondContact O-N 2.71Å; H67-C98 HydrophobicContact CB-CB 4.25Å; C83-C98 WeakPolarHBondContact CA-SG 3.49Å; C83-C98 HydrophobicContact CB-CB 3.77Å; C83-C98 WeakPolarHBondContact CB-SG 3.44Å; C83-C98 WeakPolarHBondContact SG-CA 3.33Å; C83-C98 WeakPolarHBondContact SG-CB 3.36Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 3.33Å; H87-C98 HydrophobicContact CB-CB 4.26Å; Y88-C98 WeakPolarHBondContact O-CA 3.27Å |
| 99 | I | 95.8 | Very high | 93.6 | Very high | 59 Ų | 59 | 73.3 Ų | 73.3 | 30% | 0.303 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133.5 | 179.9 | -52.8 | -59 | 0 | 0 | 0 | 108.8 | H87 Y88 M90 T97 | H87-I99 CarbonylContact C-O 3.59Å; H87-I99 WeakPolarHBondContact CA-O 3.39Å; H87-I99 WeakPolarHBondContact CB-O 3.48Å; Y88-I99 HydrophobicContact CD1-CB 4.13Å; Y88-I99 VanDerWaalsContact CD1-O 3.27Å; Y88-I99 WeakPolarHBondContact CD1-O 3.47Å; Y88-I99 HydrophobicContact CE1-CB 3.58Å; Y88-I99 HydrophobicContact CE1-CG2 3.6Å; Y88-I99 HydrophobicContact CE2-CB 4.34Å; Y88-I99 PolarHBondContact N-O 2.82Å; Y88-I99 PolarHBondContact O-N 3.23Å; M90-I99 HydrophobicContact CB-CG1 3.8Å; M90-I99 HydrophobicContact CE-CG1 4.29Å; M90-I99 HydrophobicContact SD-CG1 4.39Å; T97-I99 HydrophobicContact CG2-CD1 3.86Å |
| 100 | K | 95.4 | Very high | 93.5 | Very high | 160 Ų | 160 | 73.7 Ų | 73.7 | 70% | 0.696 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 143.4 | 179.9 | -165.1 | 179.1 | 176.7 | -179.8 | 0 | 110.9 | H87 | H87-K100 VanDerWaalsContact CD2-CA 3.46Å; H87-K100 WeakPolarHBondContact CD2-CA 3.16Å; H87-K100 PolarHBondContact CD2-N 2.93Å |
| 101 | C | 96.6 | Very high | 93.3 | Very high | 12 Ų | 12 | 74.8 Ų | 74.8 | 8% | 0.081 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 163.1 | 170.5 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | G86 C105 C108 | G86-C101 PolarHBondContact O-N 3.03Å; G86-C101 PolarHBondContact O-SG 2.97Å; G86-C101 VanDerWaalsContact O-SG 3.39Å; C101-C105 HydrophobicContact CB-CB 4.27Å; C101-C105 VanDerWaalsContact CB-O 3.28Å; C101-C105 WeakPolarHBondContact CB-O 3.45Å; C101-C108 WeakPolarHBondContact CA-SG 2.99Å; C101-C108 HydrophobicContact CB-CB 3.95Å; C101-C108 WeakPolarHBondContact CB-SG 3.39Å; C101-C108 WeakPolarHBondContact SG-CB 3.47Å; C101-C108 PolarHBondContact SG-N 2.72Å; C101-C108 CovalentContact SG-SG 2.04Å; C101-C108 PolarHBondContact SG-SG 3.24Å |
| 102 | K | 94.9 | Very high | 93.2 | Very high | 92 Ų | 92 | 71 Ų | 71 | 40% | 0.4 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 157.8 | 172.7 | -67.1 | 174.4 | 172.5 | 156 | 0 | 111.2 | D104 C105 E111 N112 | K102-D104 VanDerWaalsContact C-N 3.26Å; K102-D104 WeakPolarHBondContact CB-OD1 3.46Å; K102-D104 PolarHBondContact O-N 3.47Å; K102-C105 PolarHBondContact O-N 2.82Å; K102-E111 WeakPolarHBondContact CD-O 2.99Å; K102-E111 WeakPolarHBondContact CE-O 3.45Å; K102-E111 PolarHBondContact NZ-O 3.04Å; K102-N112 PolarHBondContact NZ-OD1 2.82Å |
| 103 | V | 93.1 | Very high | 93.6 | Very high | 141 Ų | 141 | 73.4 Ų | 73.4 | 86% | 0.855 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -28.2 | -168.9 | 65.8 | 0 | 0 | 0 | 0 | 114.6 | H118 | V103-H118 PolarHBondContact O-CD2 2.84Š|
| 104 | D | 94.3 | Very high | 94.1 | Very high | 38 Ų | 38 | 67.6 Ų | 67.6 | 20% | 0.203 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16 | 175.1 | 57.2 | -40.8 | 0 | 0 | 0 | 113.3 | K102 H118 C128 | K102-D104 VanDerWaalsContact C-N 3.26Å; K102-D104 WeakPolarHBondContact CB-OD1 3.46Å; K102-D104 PolarHBondContact O-N 3.47Å; D104-H118 PolarHBondContact O-N 3.16Å; D104-C128 HydrophobicContact CB-CB 3.93Å; D104-C128 WeakPolarHBondContact OD2-CB 3.35Å |
| 105 | C | 96.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 62.4 Ų | 62.4 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 110.1 | -168 | -178.1 | 0 | 0 | 0 | 0 | 113.5 | C101 K102 S107 C114 | C101-C105 HydrophobicContact CB-CB 4.27Å; C101-C105 VanDerWaalsContact CB-O 3.28Å; C101-C105 WeakPolarHBondContact CB-O 3.45Å; K102-C105 PolarHBondContact O-N 2.82Å; C105-S107 PolarHBondContact SG-O 2.89Å; C105-C114 VanDerWaalsContact CA-SG 3.53Å; C105-C114 HydrophobicContact CB-CB 3.93Å; C105-C114 WeakPolarHBondContact CB-SG 3.37Å; C105-C114 WeakPolarHBondContact SG-CA 3.03Å; C105-C114 WeakPolarHBondContact SG-CB 3.48Å; C105-C114 CovalentContact SG-SG 2.03Å; C105-C114 PolarHBondContact SG-SG 2.04Å |
| 106 | A | 95.3 | Very high | 95.1 | Very high | 25 Ų | 25 | 66.9 Ų | 66.9 | 21% | 0.207 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -27.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | G86 R116 H118 | G86-A106 WeakPolarHBondContact CA-O 3.43Å; A106-R116 WeakPolarHBondContact CA-O 3.23Å; A106-R116 WeakPolarHBondContact CB-O 3.41Å; A106-R116 PolarHBondContact N-O 3.12Å; A106-H118 WeakPolarHBondContact CA-NE2 3.04Å; A106-H118 PolarHBondContact N-CD2 3.45Å |
| 107 | S | 95.8 | Very high | 95.1 | Very high | 32 Ų | 32 | 65.9 Ų | 65.9 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 134.3 | 172.2 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | C105 C114 T115 R116 | C105-S107 PolarHBondContact SG-O 2.89Å; S107-C114 PolarHBondContact O-SG 2.85Å; S107-T115 PolarHBondContact O-N 2.84Å; S107-T115 PolarHBondContact O-OG1 3.16Å; S107-T115 VanDerWaalsContact O-OG1 3.1Å; S107-R116 PolarHBondContact N-O 3.18Å; S107-R116 VanDerWaalsContact N-O 3.1Å; S107-R116 PolarHBondContact O-N 3.41Å |
| 108 | C | 96.5 | Very high | 95.1 | Very high | 17 Ų | 17 | 68 Ų | 68 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 154 | -178.5 | 59.5 | 0 | 0 | 0 | 0 | 112 | Y88 C101 F113 | Y88-C108 WeakPolarHBondContact CD1-SG 3.48Å; C101-C108 WeakPolarHBondContact CA-SG 2.99Å; C101-C108 HydrophobicContact CB-CB 3.95Å; C101-C108 WeakPolarHBondContact CB-SG 3.39Å; C101-C108 WeakPolarHBondContact SG-CB 3.47Å; C101-C108 PolarHBondContact SG-N 2.72Å; C101-C108 CovalentContact SG-SG 2.04Å; C101-C108 PolarHBondContact SG-SG 3.24Å; C108-F113 WeakPolarHBondContact CA-O 3.45Å |
| 109 | F | 95.3 | Very high | 95 | Very high | 162 Ų | 162 | 71.9 Ų | 71.9 | 71% | 0.711 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | -33.9 | 168.7 | 178.3 | -101.8 | 0 | 0 | 0 | 111.5 | F113 T115 | F109-F113 HydrophobicContact CB-CD1 3.99Å; F109-F113 PolarHBondContact N-O 3.46Å; F109-T115 HydrophobicContact CB-CG2 4.2Å |
| 110 | S | 94.8 | Very high | 94.8 | Very high | 40 Ų | 40 | 71.9 Ų | 71.9 | 28% | 0.28 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 174.3 | 174.1 | 73.8 | 0 | 0 | 0 | 0 | 110.4 | N112 F113 | S110-N112 PolarHBondContact O-N 3.21Å; S110-N112 PolarHBondContact OG-N 2.83Å; S110-F113 PolarHBondContact N-O 2.83Å; S110-F113 PolarHBondContact O-N 2.03Å; S110-F113 VanDerWaalsContact O-N 3.15Å; S110-F113 WeakPolarHBondContact OG-CB 3.49Å; S110-F113 PolarHBondContact OG-N 3.48Å |
| 111 | E | 91.1 | Very high | 94.8 | Very high | 109 Ų | 109 | 67 Ų | 67 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -32.6 | 175.1 | -168.4 | -178.8 | 177.7 | 0 | 0 | 114.1 | Y88 K102 | Y88-E111 HydrophobicContact CE1-CB 4.41Å; K102-E111 WeakPolarHBondContact CD-O 2.99Å; K102-E111 WeakPolarHBondContact CE-O 3.45Å; K102-E111 PolarHBondContact NZ-O 3.04Å |
| 112 | N | 91.5 | Very high | 94.7 | Very high | 102 Ų | 102 | 68.1 Ų | 68.1 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 6.7 | -174.9 | -64.6 | -45.8 | 0 | 0 | 0 | 113.3 | K102 S110 | K102-N112 PolarHBondContact NZ-OD1 2.82Å; S110-N112 PolarHBondContact O-N 3.21Å; S110-N112 PolarHBondContact OG-N 2.83Å |
| 113 | F | 96.4 | Very high | 94.8 | Very high | 103 Ų | 103 | 65.1 Ų | 65.1 | 45% | 0.452 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 91.9 | 178.4 | -159.6 | -84.1 | 0 | 0 | 0 | 110.8 | C108 F109 S110 T115 G126 | C108-F113 WeakPolarHBondContact CA-O 3.45Å; F109-F113 HydrophobicContact CB-CD1 3.99Å; F109-F113 PolarHBondContact N-O 3.46Å; S110-F113 PolarHBondContact N-O 2.83Å; S110-F113 PolarHBondContact O-N 2.03Å; S110-F113 VanDerWaalsContact O-N 3.15Å; S110-F113 WeakPolarHBondContact OG-CB 3.49Å; S110-F113 PolarHBondContact OG-N 3.48Å; F113-T115 HydrophobicContact CD1-CG2 4.07Å; F113-T115 HydrophobicContact CE1-CG2 4.05Å; F113-G126 CarbonylContact C-O 3.46Å; F113-G126 WeakPolarHBondContact CA-O 3.07Å |
| 114 | C | 96.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 146.2 | 167.2 | -160.6 | 0 | 0 | 0 | 0 | 111.2 | C105 S107 R116 L123 G126 C128 | C105-C114 VanDerWaalsContact CA-SG 3.53Å; C105-C114 HydrophobicContact CB-CB 3.93Å; C105-C114 WeakPolarHBondContact CB-SG 3.37Å; C105-C114 WeakPolarHBondContact SG-CA 3.03Å; C105-C114 WeakPolarHBondContact SG-CB 3.48Å; C105-C114 CovalentContact SG-SG 2.03Å; C105-C114 PolarHBondContact SG-SG 2.04Å; S107-C114 PolarHBondContact O-SG 2.85Å; C114-R116 VanDerWaalsContact SG-C 3.58Å; C114-R116 PolarHBondContact SG-O 3.02Å; C114-L123 HydrophobicContact CB-CD1 4.14Å; C114-G126 WeakPolarHBondContact CB-O 3.03Å; C114-G126 PolarHBondContact N-O 2.03Å; C114-C128 PolarHBondContact SG-SG 3.46Å |
| 115 | T | 95.2 | Very high | 94.9 | Very high | 70 Ų | 70 | 69.4 Ų | 69.4 | 43% | 0.429 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | -11 | 173.8 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | S107 F109 F113 | S107-T115 PolarHBondContact O-N 2.84Å; S107-T115 PolarHBondContact O-OG1 3.16Å; S107-T115 VanDerWaalsContact O-OG1 3.1Å; F109-T115 HydrophobicContact CB-CG2 4.2Å; F113-T115 HydrophobicContact CD1-CG2 4.07Å; F113-T115 HydrophobicContact CE1-CG2 4.05Å |
| 116 | R | 95.2 | Very high | 94.8 | Very high | 161 Ų | 161 | 69.3 Ų | 69.3 | 61% | 0.608 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 125.2 | 172.7 | -173.8 | 175.5 | -65.9 | 164.2 | 0.4 | 111.4 | A106 S107 C114 | A106-R116 WeakPolarHBondContact CA-O 3.23Å; A106-R116 WeakPolarHBondContact CB-O 3.41Å; A106-R116 PolarHBondContact N-O 3.12Å; S107-R116 PolarHBondContact N-O 3.18Å; S107-R116 VanDerWaalsContact N-O 3.1Å; S107-R116 PolarHBondContact O-N 3.41Å; C114-R116 VanDerWaalsContact SG-C 3.58Å; C114-R116 PolarHBondContact SG-O 3.02Å |
| 117 | C | 95.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.014 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 156 | 178.6 | -56.1 | 0 | 0 | 0 | 0 | 113.5 | H121 L123 C128 | C117-H121 HydrophobicContact CB-CB 3.87Å; C117-L123 VanDerWaalsContact SG-CA 3.54Å; C117-L123 PolarHBondContact SG-N 3.17Å; C117-L123 VanDerWaalsContact SG-N 3.43Å; C117-C128 WeakPolarHBondContact CA-SG 3.19Å; C117-C128 HydrophobicContact CB-CB 3.72Å; C117-C128 WeakPolarHBondContact CB-SG 3.46Å; C117-C128 WeakPolarHBondContact SG-CA 3.48Å; C117-C128 WeakPolarHBondContact SG-CB 3.09Å; C117-C128 CovalentContact SG-SG 2.03Å; C117-C128 PolarHBondContact SG-SG 2.79Å |
| 118 | H | 94.8 | Very high | 94.8 | Very high | 80 Ų | 80 | 72.5 Ų | 72.5 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 159.1 | 166.1 | -83.2 | -71 | 0 | 0 | 0 | 111.2 | V103 D104 A106 G120 H121 | V103-H118 PolarHBondContact O-CD2 2.84Å; D104-H118 PolarHBondContact O-N 3.16Å; A106-H118 WeakPolarHBondContact CA-NE2 3.04Å; A106-H118 PolarHBondContact N-CD2 3.45Å; H118-G120 PolarHBondContact O-N 2.96Å; H118-H121 PolarHBondContact O-N 3.44Å |
| 119 | P | 93.9 | Very high | 94.7 | Very high | 91 Ų | 91 | 75.4 Ų | 75.4 | 59% | 0.591 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 139.7 | 174.5 | -22.6 | 33.5 | 0 | 0 | 0 | 111.6 | ||
| 120 | G | 91.9 | Very high | 94.6 | Very high | 58 Ų | 58 | 71.8 Ų | 71.8 | 60% | 0.598 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | -4.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | H118 | H118-G120 PolarHBondContact O-N 2.96Š|
| 121 | H | 95.1 | Very high | 94.4 | Very high | 57 Ų | 57 | 73.9 Ų | 73.9 | 26% | 0.264 | 38% | 0.378 | S | S | . | . | trans | -121.7 | 154.5 | 174.8 | -65.1 | -108.3 | 0 | 0 | 0 | 111.7 | C117 H118 C128 E129 | C117-H121 HydrophobicContact CB-CB 3.87Å; H118-H121 PolarHBondContact O-N 3.44Å; H121-C128 HydrophobicContact CB-CB 3.99Å; H121-C128 PolarHBondContact ND1-O 3.39Å; H121-C128 VanDerWaalsContact ND1-O 3.1Å; H121-E129 CarbonylContact C-O 3.47Å; H121-E129 WeakPolarHBondContact CA-O 3.31Å | ||
| 122 | F | 95.4 | Very high | 94.5 | Very high | 36 Ų | 36 | 69.9 Ų | 69.9 | 16% | 0.158 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.2 | -178.7 | -57.5 | -82.5 | 0 | 0 | 0 | 110.8 | Y124 E129 A138 R143 C145 | F122-Y124 PolarHBondContact O-N 3.36Å; F122-E129 PolarHBondContact N-O 3.13Å; F122-E129 PolarHBondContact O-N 2.95Å; F122-A138 HydrophobicContact CD1-CB 3.88Å; F122-A138 HydrophobicContact CD2-CB 4.17Å; F122-A138 HydrophobicContact CE1-CB 3.58Å; F122-A138 HydrophobicContact CE2-CB 3.88Å; F122-A138 HydrophobicContact CG-CB 4.18Å; F122-A138 HydrophobicContact CZ-CB 3.58Å; F122-R143 WeakPolarHBondContact CA-O 3.42Å; F122-C145 VanDerWaalsContact CB-SG 3.58Å |
| 123 | L | 96.1 | Very high | 94.4 | Very high | 30 Ų | 30 | 67.4 Ų | 67.4 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 124.6 | 178.1 | -169.8 | 66.9 | 0 | 0 | 0 | 110.6 | C114 C117 K127 R143 E144 C145 | C114-L123 HydrophobicContact CB-CD1 4.14Å; C117-L123 VanDerWaalsContact SG-CA 3.54Å; C117-L123 PolarHBondContact SG-N 3.17Å; C117-L123 VanDerWaalsContact SG-N 3.43Å; L123-K127 CarbonylContact C-O 3.59Å; L123-K127 WeakPolarHBondContact CA-O 3.01Å; L123-R143 PolarHBondContact N-O 3.45Å; L123-E144 HydrophobicContact CB-CB 4.38Å; L123-E144 HydrophobicContact CB-CG 4.04Å; L123-C145 PolarHBondContact O-N 2.99Å |
| 124 | Y | 95.6 | Very high | 93.9 | Very high | 59 Ų | 59 | 69.9 Ų | 69.9 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 120 | 173 | 178 | -112.1 | 0 | 0 | 0 | 110.2 | F122 G126 K127 P133 L136 C145 | F122-Y124 PolarHBondContact O-N 3.36Å; Y124-G126 PolarHBondContact O-N 3.25Å; Y124-K127 PolarHBondContact N-O 3.32Å; Y124-K127 PolarHBondContact O-N 2.04Å; Y124-P133 HydrophobicContact CD1-CG 3.91Å; Y124-P133 HydrophobicContact CD2-CG 4.44Å; Y124-P133 HydrophobicContact CE1-CG 3.7Å; Y124-P133 HydrophobicContact CE2-CG 4.26Å; Y124-P133 HydrophobicContact CG-CG 4.27Å; Y124-L136 HydrophobicContact CD2-CD1 3.81Å; Y124-L136 HydrophobicContact CE2-CD1 3.35Å; Y124-C145 HydrophobicContact CD2-CB 4.19Å |
| 125 | R | 94.1 | Very high | 93.3 | Very high | 209 Ų | 209 | 70.5 Ų | 70.5 | 79% | 0.789 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 37.4 | 178.8 | -65.3 | -178 | 169.8 | 171.3 | -2.3 | 114.4 | ||
| 126 | G | 94.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 68.6 Ų | 68.6 | 6% | 0.062 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 13.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F113 C114 Y124 | F113-G126 CarbonylContact C-O 3.46Å; F113-G126 WeakPolarHBondContact CA-O 3.07Å; C114-G126 WeakPolarHBondContact CB-O 3.03Å; C114-G126 PolarHBondContact N-O 2.03Å; Y124-G126 PolarHBondContact O-N 3.25Å |
| 127 | K | 95.8 | Very high | 92.9 | Very high | 118 Ų | 118 | 61.4 Ų | 61.4 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 161.5 | 173.4 | -62.4 | -175.4 | -179.2 | -178.2 | 0 | 111.1 | L123 Y124 | L123-K127 CarbonylContact C-O 3.59Å; L123-K127 WeakPolarHBondContact CA-O 3.01Å; Y124-K127 PolarHBondContact N-O 3.32Å; Y124-K127 PolarHBondContact O-N 2.04Å |
| 128 | C | 95.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 63.4 Ų | 63.4 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 93.3 | -177.3 | -68.7 | 0 | 0 | 0 | 0 | 111.5 | D104 C114 C117 H121 | D104-C128 HydrophobicContact CB-CB 3.93Å; D104-C128 WeakPolarHBondContact OD2-CB 3.35Å; C114-C128 PolarHBondContact SG-SG 3.46Å; C117-C128 WeakPolarHBondContact CA-SG 3.19Å; C117-C128 HydrophobicContact CB-CB 3.72Å; C117-C128 WeakPolarHBondContact CB-SG 3.46Å; C117-C128 WeakPolarHBondContact SG-CA 3.48Å; C117-C128 WeakPolarHBondContact SG-CB 3.09Å; C117-C128 CovalentContact SG-SG 2.03Å; C117-C128 PolarHBondContact SG-SG 2.79Å; H121-C128 HydrophobicContact CB-CB 3.99Å; H121-C128 PolarHBondContact ND1-O 3.39Å; H121-C128 VanDerWaalsContact ND1-O 3.1Å |
| 129 | E | 94.8 | Very high | 92.4 | Very high | 77 Ų | 77 | 61.4 Ų | 61.4 | 36% | 0.36 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 146 | -177.8 | -53.3 | -60.2 | 163.4 | 0 | 0 | 110.6 | H121 F122 S131 | H121-E129 CarbonylContact C-O 3.47Å; H121-E129 WeakPolarHBondContact CA-O 3.31Å; F122-E129 PolarHBondContact N-O 3.13Å; F122-E129 PolarHBondContact O-N 2.95Å; E129-S131 VanDerWaalsContact C-N 3.3Å; E129-S131 VanDerWaalsContact CB-O 3.26Å; E129-S131 WeakPolarHBondContact CB-O 3.27Å |
| 130 | S | 92.9 | Very high | 92 | Very high | 87 Ų | 87 | 61 Ų | 61 | 61% | 0.608 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -73.9 | -23.2 | 175.6 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 131 | S | 90.9 | Very high | 91.8 | Very high | 84 Ų | 84 | 62.7 Ų | 62.7 | 59% | 0.587 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -137.7 | 150.2 | 172 | 56.4 | 0 | 0 | 0 | 0 | 110.2 | E129 | E129-S131 VanDerWaalsContact C-N 3.3Å; E129-S131 VanDerWaalsContact CB-O 3.26Å; E129-S131 WeakPolarHBondContact CB-O 3.27Å |
| 132 | C | 91.9 | Very high | 91.4 | Very high | 25 Ų | 25 | 65 Ų | 65 | 17% | 0.169 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 142.3 | 176.7 | -65.7 | 0 | 0 | 0 | 0 | 111.1 | L136 A138 C145 | C132-L136 HydrophobicContact CB-CB 4.07Å; C132-A138 VanDerWaalsContact SG-CA 3.59Å; C132-C145 WeakPolarHBondContact CA-SG 3.41Å; C132-C145 HydrophobicContact CB-CB 3.84Å; C132-C145 WeakPolarHBondContact CB-SG 3.48Å; C132-C145 WeakPolarHBondContact SG-CA 3.48Å; C132-C145 WeakPolarHBondContact SG-CB 3.26Å; C132-C145 CovalentContact SG-SG 2.04Å; C132-C145 PolarHBondContact SG-SG 3.27Å |
| 133 | P | 90.8 | Very high | 91.2 | Very high | 50 Ų | 50 | 68.7 Ų | 68.7 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 162.6 | 175.6 | 23.1 | -24.5 | 0 | 0 | 0 | 111.9 | Y124 G135 L136 | Y124-P133 HydrophobicContact CD1-CG 3.91Å; Y124-P133 HydrophobicContact CD2-CG 4.44Å; Y124-P133 HydrophobicContact CE1-CG 3.7Å; Y124-P133 HydrophobicContact CE2-CG 4.26Å; Y124-P133 HydrophobicContact CG-CG 4.27Å; P133-G135 PolarHBondContact O-N 3.47Å; P133-L136 HydrophobicContact CG-CD1 3.86Å; P133-L136 WeakPolarHBondContact O-CB 3.01Å; P133-L136 PolarHBondContact O-N 2.9Å |
| 134 | N | 84.1 | Confident | 91.1 | Very high | 154 Ų | 154 | 70.9 Ų | 70.9 | 82% | 0.824 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | 135.7 | -176.4 | -64.8 | -14.8 | 0 | 0 | 0 | 112.9 | L154 | N134-L154 HydrophobicContact CB-CD2 4.18Š|
| 135 | G | 84.7 | Confident | 91 | Very high | 21 Ų | 21 | 68.9 Ų | 68.9 | 22% | 0.216 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 1.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P133 C148 E153 | P133-G135 PolarHBondContact O-N 3.47Å; G135-C148 PolarHBondContact O-N 2.91Å; G135-C148 PolarHBondContact O-SG 2.88Å; G135-C148 VanDerWaalsContact O-SG 3.36Å; G135-E153 WeakPolarHBondContact CA-O 3.48Å |
| 136 | L | 91.2 | Very high | 90.9 | Very high | 30 Ų | 30 | 61.1 Ų | 61.1 | 16% | 0.157 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.5 | 176.4 | -62.9 | 146.5 | 0 | 0 | 0 | 110.6 | Y124 C132 P133 C145 T146 E147 | Y124-L136 HydrophobicContact CD2-CD1 3.81Å; Y124-L136 HydrophobicContact CE2-CD1 3.35Å; C132-L136 HydrophobicContact CB-CB 4.07Å; P133-L136 HydrophobicContact CG-CD1 3.86Å; P133-L136 WeakPolarHBondContact O-CB 3.01Å; P133-L136 PolarHBondContact O-N 2.9Å; L136-C145 HydrophobicContact CB-CB 4.2Å; L136-C145 HydrophobicContact CD1-CB 4.49Å; L136-T146 CarbonylContact C-O 3.53Å; L136-T146 VanDerWaalsContact CA-O 3.27Å; L136-T146 WeakPolarHBondContact CA-O 3.45Å; L136-E147 HydrophobicContact CD2-CG 4.3Å |
| 137 | T | 91.8 | Very high | 90.8 | Very high | 9 Ų | 9 | 68 Ų | 68 | 6% | 0.055 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 145.1 | 169.9 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | N139 T146 E147 G157 R158 | T137-N139 PolarHBondContact O-N 3.1Å; T137-T146 PolarHBondContact N-O 3.06Å; T137-T146 PolarHBondContact O-N 3.45Å; T137-T146 PolarHBondContact O-OG1 3.42Å; T137-E147 WeakPolarHBondContact CG2-O 3.38Å; T137-G157 WeakPolarHBondContact OG1-CA 3.47Å; T137-R158 PolarHBondContact OG1-N 2.96Å; T137-R158 VanDerWaalsContact OG1-N 3.14Å |
| 138 | A | 91.1 | Very high | 90.5 | Very high | 45 Ų | 45 | 63 Ų | 63 | 37% | 0.372 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 125.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F122 C132 | F122-A138 HydrophobicContact CD1-CB 3.88Å; F122-A138 HydrophobicContact CD2-CB 4.17Å; F122-A138 HydrophobicContact CE1-CB 3.58Å; F122-A138 HydrophobicContact CE2-CB 3.88Å; F122-A138 HydrophobicContact CG-CB 4.18Å; F122-A138 HydrophobicContact CZ-CB 3.58Å; C132-A138 VanDerWaalsContact SG-CA 3.59Å |
| 139 | N | 87.4 | Confident | 90.1 | Very high | 37 Ų | 37 | 65.1 Ų | 65.1 | 20% | 0.198 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 101.3 | 168.6 | -175.8 | -27 | 0 | 0 | 0 | 109.5 | T137 A141 L142 R143 E144 T146 | T137-N139 PolarHBondContact O-N 3.1Å; N139-A141 VanDerWaalsContact C-N 3.27Å; N139-A141 PolarHBondContact O-N 2.78Å; N139-A141 WeakPolarHBondContact OD1-CB 3.03Å; N139-A141 PolarHBondContact OD1-N 2.86Å; N139-L142 WeakPolarHBondContact ND2-CD1 3.43Å; N139-L142 PolarHBondContact O-N 2.86Å; N139-L142 PolarHBondContact OD1-N 2.04Å; N139-R143 VanDerWaalsContact O-CA 3.25Å; N139-R143 WeakPolarHBondContact O-CA 3.03Å; N139-R143 PolarHBondContact O-N 3.39Å; N139-E144 WeakPolarHBondContact CB-O 3.46Å; N139-E144 PolarHBondContact N-O 2.99Å; N139-E144 PolarHBondContact O-N 3.14Å; N139-T146 HydrophobicContact CB-CG2 3.83Å |
| 140 | A | 86.8 | Confident | 89.8 | Confident | 82 Ų | 82 | 69.1 Ų | 69.1 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -25.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 141 | A | 86.3 | Confident | 89.6 | Confident | 94 Ų | 94 | 65.2 Ų | 65.2 | 78% | 0.777 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -42.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N139 | N139-A141 VanDerWaalsContact C-N 3.27Å; N139-A141 PolarHBondContact O-N 2.78Å; N139-A141 WeakPolarHBondContact OD1-CB 3.03Å; N139-A141 PolarHBondContact OD1-N 2.86Å |
| 142 | L | 87.7 | Confident | 89.7 | Confident | 107 Ų | 107 | 61.5 Ų | 61.5 | 56% | 0.56 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -25.5 | 176.3 | -58.1 | 179.5 | 0 | 0 | 0 | 112.6 | N139 E144 | N139-L142 WeakPolarHBondContact ND2-CD1 3.43Å; N139-L142 PolarHBondContact O-N 2.86Å; N139-L142 PolarHBondContact OD1-N 2.04Å; L142-E144 HydrophobicContact CB-CB 4.25Å; L142-E144 HydrophobicContact CB-CG 3.88Å |
| 143 | R | 91.3 | Very high | 89.7 | Confident | 112 Ų | 112 | 64.4 Ų | 64.4 | 42% | 0.423 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 44.7 | -166.7 | -53.1 | -178.3 | -174.8 | 170.5 | 1.5 | 112.7 | F122 L123 N139 | F122-R143 WeakPolarHBondContact CA-O 3.42Å; L123-R143 PolarHBondContact N-O 3.45Å; N139-R143 VanDerWaalsContact O-CA 3.25Å; N139-R143 WeakPolarHBondContact O-CA 3.03Å; N139-R143 PolarHBondContact O-N 3.39Å |
| 144 | E | 94 | Very high | 89.6 | Confident | 77 Ų | 77 | 64 Ų | 64 | 36% | 0.36 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 156.6 | -177.1 | -51.5 | -169.7 | 150.1 | 0 | 0 | 109.8 | L123 N139 L142 | L123-E144 HydrophobicContact CB-CB 4.38Å; L123-E144 HydrophobicContact CB-CG 4.04Å; N139-E144 WeakPolarHBondContact CB-O 3.46Å; N139-E144 PolarHBondContact N-O 2.99Å; N139-E144 PolarHBondContact O-N 3.14Å; L142-E144 HydrophobicContact CB-CB 4.25Å; L142-E144 HydrophobicContact CB-CG 3.88Å |
| 145 | C | 93.9 | Very high | 89.9 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 114.3 | 169.6 | -66.9 | 0 | 0 | 0 | 0 | 109.6 | F122 L123 Y124 C132 L136 | F122-C145 VanDerWaalsContact CB-SG 3.58Å; L123-C145 PolarHBondContact O-N 2.99Å; Y124-C145 HydrophobicContact CD2-CB 4.19Å; C132-C145 WeakPolarHBondContact CA-SG 3.41Å; C132-C145 HydrophobicContact CB-CB 3.84Å; C132-C145 WeakPolarHBondContact CB-SG 3.48Å; C132-C145 WeakPolarHBondContact SG-CA 3.48Å; C132-C145 WeakPolarHBondContact SG-CB 3.26Å; C132-C145 CovalentContact SG-SG 2.04Å; C132-C145 PolarHBondContact SG-SG 3.27Å; L136-C145 HydrophobicContact CB-CB 4.2Å; L136-C145 HydrophobicContact CD1-CB 4.49Å |
| 146 | T | 92.2 | Very high | 90 | Very high | 45 Ų | 45 | 61.8 Ų | 61.8 | 28% | 0.276 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 158.9 | 178.4 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | L136 T137 N139 | L136-T146 CarbonylContact C-O 3.53Å; L136-T146 VanDerWaalsContact CA-O 3.27Å; L136-T146 WeakPolarHBondContact CA-O 3.45Å; T137-T146 PolarHBondContact N-O 3.06Å; T137-T146 PolarHBondContact O-N 3.45Å; T137-T146 PolarHBondContact O-OG1 3.42Å; N139-T146 HydrophobicContact CB-CG2 3.83Å |
| 147 | E | 90.9 | Very high | 89.5 | Confident | 151 Ų | 151 | 61.2 Ų | 61.2 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 154.8 | 177.8 | -62.6 | -177.5 | -177.9 | 0 | 0 | 112.5 | L136 T137 | L136-E147 HydrophobicContact CD2-CG 4.3Å; T137-E147 WeakPolarHBondContact CG2-O 3.38Å |
| 148 | C | 90.5 | Very high | 89 | Confident | 13 Ų | 13 | 69.8 Ų | 69.8 | 9% | 0.088 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 160.9 | 171.8 | -68.5 | 0 | 0 | 0 | 0 | 111.9 | G135 C152 C155 | G135-C148 PolarHBondContact O-N 2.91Å; G135-C148 PolarHBondContact O-SG 2.88Å; G135-C148 VanDerWaalsContact O-SG 3.36Å; C148-C152 HydrophobicContact CB-CB 4.01Å; C148-C155 VanDerWaalsContact CA-SG 3.52Å; C148-C155 HydrophobicContact CB-CB 3.91Å; C148-C155 WeakPolarHBondContact CB-SG 3.4Å; C148-C155 WeakPolarHBondContact SG-CB 3.16Å; C148-C155 PolarHBondContact SG-N 2.97Å; C148-C155 CovalentContact SG-SG 2.04Å; C148-C155 PolarHBondContact SG-SG 3.15Å |
| 149 | P | 87.8 | Confident | 88.7 | Confident | 50 Ų | 50 | 73.7 Ų | 73.7 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 162.5 | 178.2 | -23.7 | 33.4 | 0 | 0 | 0 | 113.5 | G151 C152 R158 | P149-G151 PolarHBondContact O-N 2.75Å; P149-C152 VanDerWaalsContact O-CB 3.23Å; P149-C152 WeakPolarHBondContact O-CB 3.44Å; P149-C152 PolarHBondContact O-N 2.85Å; P149-R158 WeakPolarHBondContact CG-O 3.39Å |
| 150 | E | 87.4 | Confident | 88.8 | Confident | 161 Ų | 161 | 75.9 Ų | 75.9 | 75% | 0.752 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 138.9 | 175 | -78.6 | -64.2 | 178.6 | 0 | 0 | 112.7 | C152 R165 | E150-C152 PolarHBondContact O-N 3.43Å; E150-C152 VanDerWaalsContact O-N 3.16Å; E150-R165 IonicContact OE2-CZ 2.96Å; E150-R165 IonicContact OE2-NH1 3.99Å; E150-R165 PolarHBondContact OE2-NH1 3.07Å |
| 151 | G | 89 | Confident | 89 | Confident | 6 Ų | 6 | 72.3 Ų | 72.3 | 6% | 0.062 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | -9.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | P149 R165 M168 | P149-G151 PolarHBondContact O-N 2.75Å; G151-R165 PolarHBondContact O-N 3.29Å; G151-M168 WeakPolarHBondContact CA-SD 2.99Å |
| 152 | C | 92.8 | Very high | 89.3 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 3% | 0.034 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 137.7 | 177.5 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | C148 P149 E150 L154 C161 | C148-C152 HydrophobicContact CB-CB 4.01Å; P149-C152 VanDerWaalsContact O-CB 3.23Å; P149-C152 WeakPolarHBondContact O-CB 3.44Å; P149-C152 PolarHBondContact O-N 2.85Å; E150-C152 PolarHBondContact O-N 3.43Å; E150-C152 VanDerWaalsContact O-N 3.16Å; C152-L154 VanDerWaalsContact SG-C 3.58Å; C152-L154 PolarHBondContact SG-O 2.95Å; C152-C161 VanDerWaalsContact CA-SG 3.56Å; C152-C161 HydrophobicContact CB-CB 3.98Å; C152-C161 WeakPolarHBondContact CB-SG 3.46Å; C152-C161 VanDerWaalsContact SG-CA 3.57Å; C152-C161 WeakPolarHBondContact SG-CB 3.27Å; C152-C161 CovalentContact SG-SG 2.03Å; C152-C161 PolarHBondContact SG-SG 3.1Å |
| 153 | E | 91.4 | Very high | 89.5 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 40% | 0.402 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -44.7 | 175.4 | -163.2 | -155.8 | 157.4 | 0 | 0 | 111.4 | G135 R163 R165 | G135-E153 WeakPolarHBondContact CA-O 3.48Å; E153-R163 WeakPolarHBondContact CA-O 3.05Å; E153-R163 WeakPolarHBondContact CB-O 2.99Å; E153-R163 PolarHBondContact N-O 2.81Å; E153-R163 IonicContact OE1-CZ 2.76Å; E153-R163 IonicContact OE1-NE 3.13Å; E153-R163 IonicContact OE1-NH2 3.73Å; E153-R163 PolarHBondContact OE1-NH2 3.21Å; E153-R163 IonicContact OE2-CZ 2.64Å; E153-R163 IonicContact OE2-NE 3.66Å; E153-R163 PolarHBondContact OE2-NE 2.8Å; E153-R163 IonicContact OE2-NH2 2.74Å; E153-R163 PolarHBondContact OE2-NH2 2.03Å; E153-R165 HydrophobicContact CB-CG 4.27Å |
| 154 | L | 90.5 | Very high | 89.6 | Confident | 43 Ų | 43 | 67.5 Ų | 67.5 | 23% | 0.225 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.9 | 175.4 | -62 | 178.8 | 0 | 0 | 0 | 110.3 | N134 C152 C161 T162 R163 | N134-L154 HydrophobicContact CB-CD2 4.18Å; C152-L154 VanDerWaalsContact SG-C 3.58Å; C152-L154 PolarHBondContact SG-O 2.95Å; L154-C161 PolarHBondContact O-SG 2.81Å; L154-T162 PolarHBondContact O-N 3.34Å; L154-T162 PolarHBondContact O-OG1 3.34Å; L154-R163 HydrophobicContact CB-CB 3.92Å; L154-R163 HydrophobicContact CD1-CB 4.15Å; L154-R163 VanDerWaalsContact CD1-CZ 3.49Å; L154-R163 HydrophobicContact CG-CB 4.16Å; L154-R163 PolarHBondContact N-O 2.87Å; L154-R163 PolarHBondContact O-N 3.36Å; L154-R163 VanDerWaalsContact O-N 3.12Å |
| 155 | C | 90.4 | Very high | 89.5 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 9% | 0.088 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 149.7 | 178.3 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | C148 N160 | C148-C155 VanDerWaalsContact CA-SG 3.52Å; C148-C155 HydrophobicContact CB-CB 3.91Å; C148-C155 WeakPolarHBondContact CB-SG 3.4Å; C148-C155 WeakPolarHBondContact SG-CB 3.16Å; C148-C155 PolarHBondContact SG-N 2.97Å; C148-C155 CovalentContact SG-SG 2.04Å; C148-C155 PolarHBondContact SG-SG 3.15Å; C155-N160 CarbonylContact C-O 3.52Å; C155-N160 VanDerWaalsContact CA-O 3.31Å; C155-N160 WeakPolarHBondContact CA-O 3.32Å; C155-N160 WeakPolarHBondContact CB-O 3.32Å |
| 156 | V | 85.9 | Confident | 89.3 | Confident | 114 Ų | 114 | 71.7 Ų | 71.7 | 69% | 0.691 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -17.3 | 170.1 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | N160 T162 | V156-N160 PolarHBondContact N-O 3.43Å; V156-T162 HydrophobicContact CG2-CG2 3.79Å |
| 157 | G | 81.5 | Confident | 89.2 | Confident | 19 Ų | 19 | 75.6 Ų | 75.6 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.5 | 177.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T137 N159 N160 | T137-G157 WeakPolarHBondContact OG1-CA 3.47Å; G157-N159 PolarHBondContact O-N 3.01Å; G157-N160 PolarHBondContact O-N 2.91Å |
| 158 | R | 81.4 | Confident | 89.3 | Confident | 188 Ų | 188 | 69 Ų | 69 | 71% | 0.709 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -29.3 | -171.9 | -162.1 | 177.6 | -148.9 | -107 | 1 | 115.9 | T137 P149 | T137-R158 PolarHBondContact OG1-N 2.96Å; T137-R158 VanDerWaalsContact OG1-N 3.14Å; P149-R158 WeakPolarHBondContact CG-O 3.39Å |
| 159 | N | 83.3 | Confident | 89.6 | Confident | 127 Ų | 127 | 70.3 Ų | 70.3 | 68% | 0.679 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | 15.4 | -179 | -60.8 | -0.6 | 0 | 0 | 0 | 112.4 | G157 | G157-N159 PolarHBondContact O-N 3.01Š|
| 160 | N | 89.3 | Confident | 89.9 | Confident | 84 Ų | 84 | 69.4 Ų | 69.4 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 80.5 | -176.9 | -170.3 | -3.8 | 0 | 0 | 0 | 109.6 | C155 V156 G157 | C155-N160 CarbonylContact C-O 3.52Å; C155-N160 VanDerWaalsContact CA-O 3.31Å; C155-N160 WeakPolarHBondContact CA-O 3.32Å; C155-N160 WeakPolarHBondContact CB-O 3.32Å; V156-N160 PolarHBondContact N-O 3.43Å; G157-N160 PolarHBondContact O-N 2.91Å |
| 161 | C | 91.9 | Very high | 90.2 | Very high | 7 Ų | 7 | 62.5 Ų | 62.5 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 137.5 | 170 | -163 | 0 | 0 | 0 | 0 | 110.4 | C152 L154 R163 L170 G173 C175 | C152-C161 VanDerWaalsContact CA-SG 3.56Å; C152-C161 HydrophobicContact CB-CB 3.98Å; C152-C161 WeakPolarHBondContact CB-SG 3.46Å; C152-C161 VanDerWaalsContact SG-CA 3.57Å; C152-C161 WeakPolarHBondContact SG-CB 3.27Å; C152-C161 CovalentContact SG-SG 2.03Å; C152-C161 PolarHBondContact SG-SG 3.1Å; L154-C161 PolarHBondContact O-SG 2.81Å; C161-R163 PolarHBondContact SG-O 2.04Å; C161-L170 HydrophobicContact CB-CD1 4.12Å; C161-L170 WeakPolarHBondContact O-CD1 3.45Å; C161-G173 WeakPolarHBondContact CB-O 3.33Å; C161-G173 PolarHBondContact N-O 2.8Å; C161-C175 PolarHBondContact SG-SG 3.21Å |
| 162 | T | 91.7 | Very high | 90.4 | Very high | 73 Ų | 73 | 69.7 Ų | 69.7 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -19.7 | 175.6 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | L154 V156 | L154-T162 PolarHBondContact O-N 3.34Å; L154-T162 PolarHBondContact O-OG1 3.34Å; V156-T162 HydrophobicContact CG2-CG2 3.79Å |
| 163 | R | 91.6 | Very high | 90.3 | Very high | 123 Ų | 123 | 70.1 Ų | 70.1 | 46% | 0.464 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 123.7 | 170.3 | -167.1 | 165.3 | 75.1 | -159.4 | 6.8 | 110.8 | E153 L154 C161 | E153-R163 WeakPolarHBondContact CA-O 3.05Å; E153-R163 WeakPolarHBondContact CB-O 2.99Å; E153-R163 PolarHBondContact N-O 2.81Å; E153-R163 IonicContact OE1-CZ 2.76Å; E153-R163 IonicContact OE1-NE 3.13Å; E153-R163 IonicContact OE1-NH2 3.73Å; E153-R163 PolarHBondContact OE1-NH2 3.21Å; E153-R163 IonicContact OE2-CZ 2.64Å; E153-R163 IonicContact OE2-NE 3.66Å; E153-R163 PolarHBondContact OE2-NE 2.8Å; E153-R163 IonicContact OE2-NH2 2.74Å; E153-R163 PolarHBondContact OE2-NH2 2.03Å; L154-R163 HydrophobicContact CB-CB 3.92Å; L154-R163 HydrophobicContact CD1-CB 4.15Å; L154-R163 VanDerWaalsContact CD1-CZ 3.49Å; L154-R163 HydrophobicContact CG-CB 4.16Å; L154-R163 PolarHBondContact N-O 2.87Å; L154-R163 PolarHBondContact O-N 3.36Å; L154-R163 VanDerWaalsContact O-N 3.12Å; C161-R163 PolarHBondContact SG-O 2.04Å |
| 164 | C | 93.5 | Very high | 90.3 | Very high | 15 Ų | 15 | 71.8 Ų | 71.8 | 10% | 0.101 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 159.5 | 173.6 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | M168 C175 | C164-M168 HydrophobicContact CB-CB 3.87Å; C164-C175 WeakPolarHBondContact CA-SG 3.49Å; C164-C175 HydrophobicContact CB-CB 3.76Å; C164-C175 WeakPolarHBondContact CB-SG 3.07Å; C164-C175 WeakPolarHBondContact SG-CA 3.27Å; C164-C175 WeakPolarHBondContact SG-CB 3.03Å; C164-C175 CovalentContact SG-SG 2.03Å; C164-C175 PolarHBondContact SG-SG 3.23Å |
| 165 | R | 92.6 | Very high | 90.5 | Very high | 103 Ų | 103 | 70.8 Ų | 70.8 | 39% | 0.389 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -64 | 167.5 | 166.9 | -65.4 | 178.8 | -174.8 | 155.6 | 1 | 109.7 | E150 G151 E153 M168 | E150-R165 IonicContact OE2-CZ 2.96Å; E150-R165 IonicContact OE2-NH1 3.99Å; E150-R165 PolarHBondContact OE2-NH1 3.07Å; G151-R165 PolarHBondContact O-N 3.29Å; E153-R165 HydrophobicContact CB-CG 4.27Å; R165-M168 PolarHBondContact O-N 3.2Å |
| 166 | A | 90.6 | Very high | 90.7 | Very high | 79 Ų | 79 | 72.6 Ų | 72.6 | 65% | 0.653 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 148.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M168 | A166-M168 PolarHBondContact O-N 3.1Š|
| 167 | D | 88.8 | Confident | 91 | Very high | 128 Ų | 128 | 73.6 Ų | 73.6 | 68% | 0.684 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 28.7 | 178.6 | -46.1 | -40.4 | 0 | 0 | 0 | 114.8 | ||
| 168 | M | 94.4 | Very high | 91.6 | Very high | 13 Ų | 13 | 78.3 Ų | 78.3 | 6% | 0.064 | 40% | 0.395 | C | S | . | . | trans | -133.2 | 140.5 | 173.5 | -61.2 | -172.7 | 80.7 | 0 | 0 | 111.3 | G151 C164 R165 A166 C175 H177 | G151-M168 WeakPolarHBondContact CA-SD 2.99Å; C164-M168 HydrophobicContact CB-CB 3.87Å; R165-M168 PolarHBondContact O-N 3.2Å; A166-M168 PolarHBondContact O-N 3.1Å; M168-C175 HydrophobicContact CB-CB 4.33Å; M168-C175 HydrophobicContact CE-CB 3.75Å; M168-C175 WeakPolarHBondContact CE-O 3.11Å; M168-C175 HydrophobicContact SD-CB 4.3Å; M168-H177 WeakPolarHBondContact CG-ND1 3Å | ||
| 169 | Y | 95 | Very high | 92.1 | Very high | 40 Ų | 40 | 70.2 Ų | 70.2 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 131.9 | -177.7 | -58.9 | -88 | 0 | 0 | 0 | 110.6 | N176 P185 V187 M190 C192 | Y169-N176 PolarHBondContact N-O 3.1Å; Y169-N176 PolarHBondContact O-N 2.8Å; Y169-P185 HydrophobicContact CD1-CB 3.77Å; Y169-P185 HydrophobicContact CD2-CB 4.27Å; Y169-P185 HydrophobicContact CE1-CB 3.4Å; Y169-P185 VanDerWaalsContact CE1-CB 3.4Å; Y169-P185 HydrophobicContact CE2-CB 3.95Å; Y169-P185 HydrophobicContact CG-CB 4.2Å; Y169-V187 HydrophobicContact CE1-CG1 4.38Å; Y169-M190 WeakPolarHBondContact CA-O 3.31Å; Y169-M190 HydrophobicContact CE1-SD 4.44Å; Y169-C192 WeakPolarHBondContact CB-SG 3.17Å |
| 170 | L | 95 | Very high | 92.6 | Very high | 31 Ų | 31 | 67 Ų | 67 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 130.2 | 176.3 | -177.9 | 68.4 | 0 | 0 | 0 | 110.9 | C161 Q174 M190 Q191 C192 | C161-L170 HydrophobicContact CB-CD1 4.12Å; C161-L170 WeakPolarHBondContact O-CD1 3.45Å; L170-Q174 WeakPolarHBondContact CA-O 3.49Å; L170-M190 PolarHBondContact N-O 3.42Å; L170-Q191 HydrophobicContact CB-CG 3.94Å; L170-Q191 WeakPolarHBondContact O-CA 3.24Å; L170-C192 PolarHBondContact O-N 3.19Å |
| 171 | L | 94.8 | Very high | 92.7 | Very high | 16 Ų | 16 | 72.9 Ų | 72.9 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 122.7 | 171.7 | -176.7 | 55.6 | 0 | 0 | 0 | 109.8 | G173 Q174 P180 F183 C192 | L171-G173 PolarHBondContact O-N 2.03Å; L171-G173 VanDerWaalsContact O-N 3.1Å; L171-Q174 PolarHBondContact N-O 3.06Å; L171-Q174 PolarHBondContact O-N 3.38Å; L171-P180 HydrophobicContact CD2-CG 3.4Å; L171-P180 VanDerWaalsContact CD2-CG 3.4Å; L171-F183 HydrophobicContact CD1-CD1 3.78Å; L171-F183 HydrophobicContact CD1-CE1 3.56Å; L171-F183 HydrophobicContact CD1-CG 4.46Å; L171-F183 HydrophobicContact CD1-CZ 4.08Å; L171-F183 HydrophobicContact CD2-CD1 4.27Å; L171-F183 HydrophobicContact CD2-CD2 4.13Å; L171-F183 HydrophobicContact CD2-CE1 4.44Å; L171-F183 HydrophobicContact CD2-CE2 4.31Å; L171-F183 HydrophobicContact CD2-CG 4.13Å; L171-F183 HydrophobicContact CD2-CZ 4.47Å; L171-C192 HydrophobicContact CB-CB 3.92Å; L171-C192 HydrophobicContact CD1-CB 4.04Å; L171-C192 HydrophobicContact CD2-CB 4.02Å; L171-C192 HydrophobicContact CG-CB 4.2Å |
| 172 | H | 92.2 | Very high | 92.6 | Very high | 156 Ų | 156 | 74 Ų | 74 | 72% | 0.722 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 38.1 | 176.7 | -55.5 | 127.3 | 0 | 0 | 0 | 115 | Q174 F183 | H172-Q174 VanDerWaalsContact C-N 3.35Å; H172-F183 AromaticContact CE1-CZ 3.98Å |
| 173 | G | 90.3 | Very high | 92.7 | Very high | 14 Ų | 14 | 73 Ų | 73 | 14% | 0.144 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | C161 L171 | C161-G173 WeakPolarHBondContact CB-O 3.33Å; C161-G173 PolarHBondContact N-O 2.8Å; L171-G173 PolarHBondContact O-N 2.03Å; L171-G173 VanDerWaalsContact O-N 3.1Å |
| 174 | Q | 92.8 | Very high | 92.7 | Very high | 121 Ų | 121 | 68.8 Ų | 68.8 | 57% | 0.565 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.2 | 179.3 | -63.1 | 175.6 | -15 | 0 | 0 | 110.9 | L170 L171 H172 | L170-Q174 WeakPolarHBondContact CA-O 3.49Å; L171-Q174 PolarHBondContact N-O 3.06Å; L171-Q174 PolarHBondContact O-N 3.38Å; H172-Q174 VanDerWaalsContact C-N 3.35Å |
| 175 | C | 94.1 | Very high | 92.6 | Very high | 23 Ų | 23 | 71.4 Ų | 71.4 | 16% | 0.155 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 125.9 | -179 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | C161 C164 M168 | C161-C175 PolarHBondContact SG-SG 3.21Å; C164-C175 WeakPolarHBondContact CA-SG 3.49Å; C164-C175 HydrophobicContact CB-CB 3.76Å; C164-C175 WeakPolarHBondContact CB-SG 3.07Å; C164-C175 WeakPolarHBondContact SG-CA 3.27Å; C164-C175 WeakPolarHBondContact SG-CB 3.03Å; C164-C175 CovalentContact SG-SG 2.03Å; C164-C175 PolarHBondContact SG-SG 3.23Å; M168-C175 HydrophobicContact CB-CB 4.33Å; M168-C175 HydrophobicContact CE-CB 3.75Å; M168-C175 WeakPolarHBondContact CE-O 3.11Å; M168-C175 HydrophobicContact SD-CB 4.3Å |
| 176 | N | 94 | Very high | 92.6 | Very high | 51 Ų | 51 | 68.5 Ų | 68.5 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.2 | 179.6 | -62.8 | -65 | 0 | 0 | 0 | 110.7 | Y169 T178 | Y169-N176 PolarHBondContact N-O 3.1Å; Y169-N176 PolarHBondContact O-N 2.8Å; N176-T178 VanDerWaalsContact C-N 3.28Å; N176-T178 WeakPolarHBondContact CB-O 3.45Å; N176-T178 PolarHBondContact O-N 3.49Å |
| 177 | H | 92.5 | Very high | 92.5 | Very high | 134 Ų | 134 | 69.6 Ų | 69.6 | 62% | 0.62 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -66.8 | -31.1 | 172.1 | -69.8 | -68.6 | 0 | 0 | 0 | 112.6 | M168 | M168-H177 WeakPolarHBondContact CG-ND1 3Š|
| 178 | T | 93.4 | Very high | 92.5 | Very high | 118 Ų | 118 | 71.9 Ų | 71.9 | 72% | 0.724 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -132 | 133.4 | 176.1 | -47.5 | 0 | 0 | 0 | 0 | 108.4 | N176 | N176-T178 VanDerWaalsContact C-N 3.28Å; N176-T178 WeakPolarHBondContact CB-O 3.45Å; N176-T178 PolarHBondContact O-N 3.49Å |
| 179 | C | 93.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 75.8 Ų | 75.8 | 12% | 0.122 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 138.3 | 175.4 | -65.6 | 0 | 0 | 0 | 0 | 111.4 | F183 C192 | C179-F183 HydrophobicContact CB-CB 4.03Å; C179-C192 WeakPolarHBondContact CA-SG 3.42Å; C179-C192 HydrophobicContact CB-CB 3.84Å; C179-C192 WeakPolarHBondContact CB-SG 3.25Å; C179-C192 WeakPolarHBondContact SG-CA 3.49Å; C179-C192 WeakPolarHBondContact SG-CB 3.43Å; C179-C192 CovalentContact SG-SG 2.04Å; C179-C192 PolarHBondContact SG-SG 3.12Å |
| 180 | P | 93.6 | Very high | 92.1 | Very high | 59 Ų | 59 | 77.3 Ų | 77.3 | 38% | 0.383 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 167.6 | 178.3 | 29.5 | -34.6 | 0 | 0 | 0 | 111.7 | L171 G182 F183 | L171-P180 HydrophobicContact CD2-CG 3.4Å; L171-P180 VanDerWaalsContact CD2-CG 3.4Å; P180-G182 PolarHBondContact O-N 3.18Å; P180-F183 HydrophobicContact CG-CD2 4.02Å; P180-F183 WeakPolarHBondContact O-CB 3.48Å; P180-F183 PolarHBondContact O-N 3.31Å |
| 181 | K | 90.8 | Very high | 92.1 | Very high | 209 Ų | 209 | 79.5 Ų | 79.5 | 91% | 0.909 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 137.8 | 179.1 | -65.2 | -174.2 | 177.2 | -174.7 | 0 | 111.7 | F183 | K181-F183 VanDerWaalsContact C-N 3.3Š|
| 182 | G | 89.3 | Confident | 92.1 | Very high | 31 Ų | 31 | 79.1 Ų | 79.1 | 32% | 0.32 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 4.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P180 Q195 | P180-G182 PolarHBondContact O-N 3.18Å; G182-Q195 VanDerWaalsContact CA-OE1 3.32Å; G182-Q195 PolarHBondContact O-N 3.06Å |
| 183 | F | 93.5 | Very high | 92.2 | Very high | 50 Ų | 50 | 75.4 Ų | 75.4 | 22% | 0.219 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.5 | 173.9 | -63.5 | -96.7 | 0 | 0 | 0 | 111.6 | L171 H172 C179 P180 K181 C192 M193 P194 Q195 | L171-F183 HydrophobicContact CD1-CD1 3.78Å; L171-F183 HydrophobicContact CD1-CE1 3.56Å; L171-F183 HydrophobicContact CD1-CG 4.46Å; L171-F183 HydrophobicContact CD1-CZ 4.08Å; L171-F183 HydrophobicContact CD2-CD1 4.27Å; L171-F183 HydrophobicContact CD2-CD2 4.13Å; L171-F183 HydrophobicContact CD2-CE1 4.44Å; L171-F183 HydrophobicContact CD2-CE2 4.31Å; L171-F183 HydrophobicContact CD2-CG 4.13Å; L171-F183 HydrophobicContact CD2-CZ 4.47Å; H172-F183 AromaticContact CE1-CZ 3.98Å; C179-F183 HydrophobicContact CB-CB 4.03Å; P180-F183 HydrophobicContact CG-CD2 4.02Å; P180-F183 WeakPolarHBondContact O-CB 3.48Å; P180-F183 PolarHBondContact O-N 3.31Å; K181-F183 VanDerWaalsContact C-N 3.3Å; F183-C192 HydrophobicContact CB-CB 3.99Å; F183-C192 HydrophobicContact CD1-CB 4.27Å; F183-C192 HydrophobicContact CG-CB 4.4Å; F183-M193 CarbonylContact C-O 3.5Å; F183-M193 WeakPolarHBondContact CA-O 3.46Å; F183-M193 WeakPolarHBondContact CB-O 3.47Å; F183-P194 HydrophobicContact CD1-CG 4.41Å; F183-P194 HydrophobicContact CE1-CB 4.44Å; F183-P194 HydrophobicContact CE1-CG 4.06Å; F183-Q195 PolarHBondContact O-NE2 2.88Å; F183-Q195 VanDerWaalsContact O-NE2 3.16Å |
| 184 | E | 91.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 78.4 Ų | 78.4 | 17% | 0.168 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 149.5 | 175.2 | 61 | -177.7 | -167.8 | 0 | 0 | 111.2 | D186 M193 Q195 S234 S236 | E184-D186 PolarHBondContact O-N 3.39Å; E184-M193 PolarHBondContact N-O 2.86Å; E184-M193 PolarHBondContact O-N 2.89Å; E184-Q195 HydrophobicContact CB-CG 3.99Å; E184-Q195 HydrophobicContact CG-CG 4.2Å; E184-S234 WeakPolarHBondContact OE1-CB 3.16Å; E184-S234 PolarHBondContact OE1-OG 2.03Å; E184-S234 PolarHBondContact OE2-OG 2.63Å; E184-S234 VanDerWaalsContact OE2-OG 3.11Å; E184-S236 WeakPolarHBondContact OE2-CB 3.23Å; E184-S236 PolarHBondContact OE2-N 2.81Å; E184-S236 PolarHBondContact OE2-OG 2.85Å |
| 185 | P | 92.9 | Very high | 92.2 | Very high | 70 Ų | 70 | 75.1 Ų | 75.1 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 120.7 | -178.5 | 28.9 | -33 | 0 | 0 | 0 | 112 | Y169 | Y169-P185 HydrophobicContact CD1-CB 3.77Å; Y169-P185 HydrophobicContact CD2-CB 4.27Å; Y169-P185 HydrophobicContact CE1-CB 3.4Å; Y169-P185 VanDerWaalsContact CE1-CB 3.4Å; Y169-P185 HydrophobicContact CE2-CB 3.95Å; Y169-P185 HydrophobicContact CG-CB 4.2Å |
| 186 | D | 91.4 | Very high | 92 | Very high | 41 Ų | 41 | 77 Ų | 77 | 22% | 0.219 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 109.3 | 164.4 | -171.7 | -43.4 | 0 | 0 | 0 | 109.2 | E184 Q188 L189 M190 Q191 M193 | E184-D186 PolarHBondContact O-N 3.39Å; D186-Q188 VanDerWaalsContact C-N 3.32Å; D186-Q188 WeakPolarHBondContact OD1-CA 3.45Å; D186-Q188 WeakPolarHBondContact OD1-CB 3.45Å; D186-Q188 PolarHBondContact OD1-N 2.94Å; D186-L189 HydrophobicContact CB-CB 4.29Å; D186-L189 PolarHBondContact OD1-N 2.82Å; D186-M190 VanDerWaalsContact O-CA 3.24Å; D186-M190 WeakPolarHBondContact O-CA 3.28Å; D186-M190 PolarHBondContact O-N 2.83Å; D186-Q191 PolarHBondContact N-O 3.23Å; D186-Q191 PolarHBondContact O-N 2.93Å; D186-M193 HydrophobicContact CB-CG 3.78Å |
| 187 | V | 89.2 | Confident | 91.9 | Very high | 102 Ų | 102 | 78.6 Ų | 78.6 | 62% | 0.618 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -13.3 | -179.9 | -65.3 | 0 | 0 | 0 | 0 | 114.2 | Y169 | Y169-V187 HydrophobicContact CE1-CG1 4.38Š|
| 188 | Q | 88.1 | Confident | 91.9 | Very high | 177 Ų | 177 | 73.1 Ų | 73.1 | 83% | 0.827 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -37.8 | 176.7 | -60.2 | -177.6 | -5.5 | 0 | 0 | 110.7 | D186 | D186-Q188 VanDerWaalsContact C-N 3.32Å; D186-Q188 WeakPolarHBondContact OD1-CA 3.45Å; D186-Q188 WeakPolarHBondContact OD1-CB 3.45Å; D186-Q188 PolarHBondContact OD1-N 2.94Å |
| 189 | L | 89.3 | Confident | 92 | Very high | 95 Ų | 95 | 72.9 Ų | 72.9 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -9.2 | -180 | -62 | 179 | 0 | 0 | 0 | 113.8 | D186 Q191 | D186-L189 HydrophobicContact CB-CB 4.29Å; D186-L189 PolarHBondContact OD1-N 2.82Å; L189-Q191 HydrophobicContact CB-CB 4.17Å; L189-Q191 WeakPolarHBondContact O-CG 3.41Å; L189-Q191 PolarHBondContact O-N 3.49Å; L189-Q191 PolarHBondContact O-NE2 3.1Å |
| 190 | M | 92.4 | Very high | 92.1 | Very high | 71 Ų | 71 | 73.7 Ų | 73.7 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 45.2 | -172.9 | -61.7 | -66.2 | -87 | 0 | 0 | 111.8 | Y169 L170 D186 | Y169-M190 WeakPolarHBondContact CA-O 3.31Å; Y169-M190 HydrophobicContact CE1-SD 4.44Å; L170-M190 PolarHBondContact N-O 3.42Å; D186-M190 VanDerWaalsContact O-CA 3.24Å; D186-M190 WeakPolarHBondContact O-CA 3.28Å; D186-M190 PolarHBondContact O-N 2.83Å |
| 191 | Q | 94.7 | Very high | 92.2 | Very high | 78 Ų | 78 | 71.6 Ų | 71.6 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 154.5 | -173 | -85 | 164.4 | 67.3 | 0 | 0 | 111 | L170 D186 L189 | L170-Q191 HydrophobicContact CB-CG 3.94Å; L170-Q191 WeakPolarHBondContact O-CA 3.24Å; D186-Q191 PolarHBondContact N-O 3.23Å; D186-Q191 PolarHBondContact O-N 2.93Å; L189-Q191 HydrophobicContact CB-CB 4.17Å; L189-Q191 WeakPolarHBondContact O-CG 3.41Å; L189-Q191 PolarHBondContact O-N 3.49Å; L189-Q191 PolarHBondContact O-NE2 3.1Å |
| 192 | C | 94.8 | Very high | 92.4 | Very high | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.054 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 112.5 | 170.1 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | Y169 L170 L171 C179 F183 | Y169-C192 WeakPolarHBondContact CB-SG 3.17Å; L170-C192 PolarHBondContact O-N 3.19Å; L171-C192 HydrophobicContact CB-CB 3.92Å; L171-C192 HydrophobicContact CD1-CB 4.04Å; L171-C192 HydrophobicContact CD2-CB 4.02Å; L171-C192 HydrophobicContact CG-CB 4.2Å; C179-C192 WeakPolarHBondContact CA-SG 3.42Å; C179-C192 HydrophobicContact CB-CB 3.84Å; C179-C192 WeakPolarHBondContact CB-SG 3.25Å; C179-C192 WeakPolarHBondContact SG-CA 3.49Å; C179-C192 WeakPolarHBondContact SG-CB 3.43Å; C179-C192 CovalentContact SG-SG 2.04Å; C179-C192 PolarHBondContact SG-SG 3.12Å; F183-C192 HydrophobicContact CB-CB 3.99Å; F183-C192 HydrophobicContact CD1-CB 4.27Å; F183-C192 HydrophobicContact CG-CB 4.4Å |
| 193 | M | 93.1 | Very high | 92.8 | Very high | 77 Ų | 77 | 71.3 Ų | 71.3 | 38% | 0.379 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 146.3 | 178 | -67.7 | -62 | -72.3 | 0 | 0 | 110.6 | F183 E184 D186 Q195 | F183-M193 CarbonylContact C-O 3.5Å; F183-M193 WeakPolarHBondContact CA-O 3.46Å; F183-M193 WeakPolarHBondContact CB-O 3.47Å; E184-M193 PolarHBondContact N-O 2.86Å; E184-M193 PolarHBondContact O-N 2.89Å; D186-M193 HydrophobicContact CB-CG 3.78Å; M193-Q195 PolarHBondContact O-N 2.79Å |
| 194 | P | 92 | Very high | 92.9 | Very high | 77 Ų | 77 | 72 Ų | 72 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 134.5 | 177.6 | -22.2 | 33.3 | 0 | 0 | 0 | 112.1 | F183 | F183-P194 HydrophobicContact CD1-CG 4.41Å; F183-P194 HydrophobicContact CE1-CB 4.44Å; F183-P194 HydrophobicContact CE1-CG 4.06Å |
| 195 | Q | 91 | Very high | 93.1 | Very high | 53 Ų | 53 | 75.3 Ų | 75.3 | 25% | 0.248 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 132.3 | 169.1 | -74.4 | 171.1 | -13.7 | 0 | 0 | 109.4 | G182 F183 E184 M193 | G182-Q195 VanDerWaalsContact CA-OE1 3.32Å; G182-Q195 PolarHBondContact O-N 3.06Å; F183-Q195 PolarHBondContact O-NE2 2.88Å; F183-Q195 VanDerWaalsContact O-NE2 3.16Å; E184-Q195 HydrophobicContact CB-CG 3.99Å; E184-Q195 HydrophobicContact CG-CG 4.2Å; M193-Q195 PolarHBondContact O-N 2.79Å |
| 196 | V | 91.8 | Very high | 93.1 | Very high | 62 Ų | 62 | 75.1 Ų | 75.1 | 38% | 0.376 | 39% | 0.394 | S | S | . | . | trans | -109.5 | 121.8 | 176.5 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | H231 F232 P233 S234 G237 | V196-H231 HydrophobicContact CG1-CB 4.36Å; V196-F232 WeakPolarHBondContact CG1-O 3.47Å; V196-P233 CarbonylContact O-C 3.58Å; V196-P233 VanDerWaalsContact O-CA 3.27Å; V196-P233 WeakPolarHBondContact O-CA 3.36Å; V196-S234 PolarHBondContact N-OG 2.82Å; V196-S234 PolarHBondContact O-N 3.12Å; V196-S234 PolarHBondContact O-OG 2.79Å; V196-G237 WeakPolarHBondContact O-CA 3.44Å | ||
| 197 | H | 90.6 | Very high | 93.1 | Very high | 84 Ų | 84 | 75 Ų | 75 | 39% | 0.389 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 156.1 | 174.7 | -57.5 | -99.8 | 0 | 0 | 0 | 109.1 | E199 D238 | H197-E199 PolarHBondContact O-N 2.85Å; H197-D238 HydrophobicContact CB-CB 4.45Å; H197-D238 IonicContact CE1-OD2 2.66Å; H197-D238 PolarHBondContact CE1-OD2 3.44Å; H197-D238 IonicContact CG-OD2 3.97Å; H197-D238 IonicContact ND1-OD2 2.77Å; H197-D238 PolarHBondContact ND1-OD2 2.83Å |
| 198 | C | 93.6 | Very high | 93.2 | Very high | 19 Ų | 19 | 78.7 Ų | 78.7 | 13% | 0.128 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 119.4 | 179 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | H231 P233 D238 C240 | C198-H231 WeakPolarHBondContact CA-O 3.01Å; C198-H231 PolarHBondContact SG-O 3.07Å; C198-H231 VanDerWaalsContact SG-O 3.4Å; C198-P233 HydrophobicContact CB-CB 4.02Å; C198-P233 HydrophobicContact CB-CG 3.95Å; C198-D238 WeakPolarHBondContact CB-O 3.48Å; C198-D238 PolarHBondContact N-O 2.95Å; C198-C240 VanDerWaalsContact CB-CA 3.48Å; C198-C240 HydrophobicContact CB-CB 3.83Å; C198-C240 WeakPolarHBondContact CB-SG 3.14Å; C198-C240 WeakPolarHBondContact SG-CA 3.22Å; C198-C240 WeakPolarHBondContact SG-CB 3.18Å; C198-C240 CovalentContact SG-SG 2.03Å; C198-C240 PolarHBondContact SG-SG 2.94Å |
| 199 | E | 94 | Very high | 93.2 | Very high | 114 Ų | 114 | 72.1 Ų | 72.1 | 53% | 0.533 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 134.7 | 171.5 | -58.6 | -172.1 | 176.2 | 0 | 0 | 110.2 | H197 L230 H231 | H197-E199 PolarHBondContact O-N 2.85Å; E199-L230 PolarHBondContact O-N 2.78Å; E199-H231 HydrophobicContact CB-CB 4.03Å; E199-H231 HydrophobicContact CG-CB 4.3Å; E199-H231 PolarHBondContact N-O 3.41Å; E199-H231 PolarHBondContact O-N 3.47Å; E199-H231 VanDerWaalsContact O-N 3.13Å; E199-H231 IonicContact OE2-CD2 3.68Å; E199-H231 PolarHBondContact OE2-CD2 3.27Å |
| 200 | V | 96.1 | Very high | 93.2 | Very high | 34 Ų | 34 | 72.5 Ų | 72.5 | 21% | 0.206 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.4 | -178 | -68.8 | 0 | 0 | 0 | 0 | 110 | R227 Q228 I229 P241 V243 | V200-R227 VanDerWaalsContact CG2-NH1 3.32Å; V200-Q228 WeakPolarHBondContact CA-O 3Å; V200-I229 HydrophobicContact CG1-CG1 4.11Å; V200-P241 HydrophobicContact CG1-CG 4.15Å; V200-P241 HydrophobicContact CG2-CG 3.74Å; V200-V243 HydrophobicContact CG1-CG1 4.48Å |
| 201 | G | 94.9 | Very high | 92.7 | Very high | 16 Ų | 16 | 77.5 Ų | 77.5 | 17% | 0.165 | 41% | 0.407 | C | S | . | . | trans | -79 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R227 Q228 | G201-R227 WeakPolarHBondContact O-CB 3.36Å; G201-R227 WeakPolarHBondContact O-CD 3.44Å; G201-Q228 PolarHBondContact N-O 3.3Å | ||
| 202 | E | 96.5 | Very high | 91.9 | Very high | 174 Ų | 174 | 78.8 Ų | 78.8 | 81% | 0.813 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 151.2 | 173.2 | -71.4 | -58 | 150.2 | 0 | 0 | 112.6 | R227 | E202-R227 WeakPolarHBondContact O-CB 3.44Š|
| 203 | W | 96.7 | Very high | 90.6 | Very high | 59 Ų | 59 | 87.2 Ų | 87.2 | 22% | 0.223 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 138.3 | 175.7 | -73.8 | 102.8 | 0 | 0 | 0 | 111.5 | R225 T226 R227 H242 E245 | W203-R225 HydrophobicContact CD2-CG 4.37Å; W203-R225 HydrophobicContact CE3-CB 4.39Å; W203-R225 HydrophobicContact CE3-CG 3.7Å; W203-R225 HydrophobicContact CZ3-CG 4.09Å; W203-T226 VanDerWaalsContact CE3-C 3.5Å; W203-R227 HydrophobicContact CD2-CB 4.21Å; W203-R227 HydrophobicContact CD2-CG 4.18Å; W203-R227 HydrophobicContact CE3-CB 3.96Å; W203-R227 HydrophobicContact CE3-CG 3.95Å; W203-R227 HydrophobicContact CH2-CG 4.01Å; W203-R227 HydrophobicContact CZ2-CG 4.24Å; W203-R227 VanDerWaalsContact CZ2-NE 3.28Å; W203-R227 HydrophobicContact CZ3-CB 4.31Å; W203-R227 HydrophobicContact CZ3-CG 3.86Å; W203-H242 AromaticContact CH2-CD2 3.69Å; W203-H242 AromaticContact CH2-NE2 3.9Å; W203-H242 AromaticContact CZ2-CD2 3.92Å; W203-H242 AromaticContact CZ2-NE2 3.66Å; W203-E245 HydrophobicContact CH2-CB 4.07Å; W203-E245 HydrophobicContact CZ3-CB 4.21Å |
| 204 | T | 96.1 | Very high | 89.2 | Confident | 65 Ų | 65 | 91.2 Ų | 91.2 | 40% | 0.399 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 159.1 | 164.2 | 67 | 0 | 0 | 0 | 0 | 110.5 | T226 | T204-T226 WeakPolarHBondContact CG2-O 3.44Å; T204-T226 PolarHBondContact N-O 2.91Å; T204-T226 PolarHBondContact OG1-N 2.79Å; T204-T226 VanDerWaalsContact OG1-N 3.12Å; T204-T226 PolarHBondContact OG1-O 3.27Å |
| 205 | S | 95.2 | Very high | 87.5 | Confident | 106 Ų | 106 | 90.6 Ų | 90.6 | 74% | 0.741 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 154.5 | 159.7 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | G207 | S205-G207 PolarHBondContact O-N 3.18Š|
| 206 | W | 93.9 | Very high | 85.8 | Confident | 66 Ų | 66 | 95 Ų | 95 | 25% | 0.25 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 129.9 | 175.1 | -72.1 | 96.7 | 0 | 0 | 0 | 110.2 | E223 R225 E245 R247 | W206-E223 HydrophobicContact CB-CB 4.43Å; W206-E223 HydrophobicContact CD2-CB 4.48Å; W206-E223 HydrophobicContact CE3-CB 3.75Å; W206-E223 HydrophobicContact CZ3-CB 4.47Å; W206-E223 WeakPolarHBondContact CZ3-O 3.36Å; W206-R225 HydrophobicContact CD2-CB 4.16Å; W206-R225 HydrophobicContact CD2-CG 4.13Å; W206-R225 HydrophobicContact CE3-CB 3.95Å; W206-R225 HydrophobicContact CE3-CG 3.92Å; W206-R225 HydrophobicContact CH2-CG 3.77Å; W206-R225 HydrophobicContact CZ2-CG 3.98Å; W206-R225 HydrophobicContact CZ3-CB 4.22Å; W206-R225 HydrophobicContact CZ3-CG 3.74Å; W206-E245 HydrophobicContact CH2-CB 4.3Å; W206-E245 HydrophobicContact CH2-CG 4.07Å; W206-R247 HydrophobicContact CE3-CB 4.31Å; W206-R247 HydrophobicContact CH2-CB 3.47Å; W206-R247 VanDerWaalsContact CH2-CB 3.47Å; W206-R247 HydrophobicContact CH2-CG 4.48Å; W206-R247 HydrophobicContact CZ2-CB 4.15Å; W206-R247 HydrophobicContact CZ3-CB 3.56Å |
| 207 | G | 90.6 | Very high | 84.1 | Confident | 38 Ų | 38 | 98 Ų | 98 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | trans | -65.4 | 176.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S205 E223 T224 | S205-G207 PolarHBondContact O-N 3.18Å; G207-E223 WeakPolarHBondContact O-CG 3.32Å; G207-T224 PolarHBondContact N-O 2.79Å | ||
| 208 | Q | 90.9 | Very high | 82.6 | Confident | 180 Ų | 180 | 99 Ų | 99 | 84% | 0.841 | 52% | 0.521 | S | S | * | . | trans | -67.2 | 144.6 | 178.8 | -63.3 | -173.8 | 1 | 0 | 0 | 112 | V210 | Q208-V210 WeakPolarHBondContact O-CG2 3.35Å; Q208-V210 PolarHBondContact O-N 3.15Å; Q208-V210 VanDerWaalsContact O-N 3.12Å | ||
| 209 | C | 89.1 | Confident | 81.3 | Confident | 39 Ų | 39 | 106.3 Ų | 106.3 | 26% | 0.264 | 55% | 0.546 | S | S | . | . | trans | -67.1 | 103.8 | 179.9 | -179 | 0 | 0 | 0 | 0 | 112.5 | E223 C249 | C209-E223 HydrophobicContact CB-CG 3.98Å; C209-C249 WeakPolarHBondContact CA-SG 3.44Å; C209-C249 HydrophobicContact CB-CB 3.81Å; C209-C249 WeakPolarHBondContact CB-SG 3.08Å; C209-C249 WeakPolarHBondContact SG-CB 3.04Å; C209-C249 CovalentContact SG-SG 2.02Å; C209-C249 PolarHBondContact SG-SG 3.34Å | ||
| 210 | V | 88.6 | Confident | 80.5 | Confident | 102 Ų | 102 | 107.7 Ų | 107.7 | 62% | 0.618 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.2 | -178.3 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | Q208 G221 E222 | Q208-V210 WeakPolarHBondContact O-CG2 3.35Å; Q208-V210 PolarHBondContact O-N 3.15Å; Q208-V210 VanDerWaalsContact O-N 3.12Å; V210-G221 CarbonylContact O-C 3.54Å; V210-G221 WeakPolarHBondContact O-CA 3.44Å; V210-E222 PolarHBondContact N-O 2.9Å; V210-E222 PolarHBondContact O-N 3.44Å |
| 211 | R | 82.2 | Confident | 80 | Confident | 176 Ų | 176 | 106.2 Ų | 106.2 | 66% | 0.664 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 126.8 | -178.1 | -168.7 | -175.4 | 73.8 | 153.7 | 2.6 | 112 | T251 | R211-T251 HydrophobicContact CB-CG2 4.06Å; R211-T251 HydrophobicContact CG-CG2 4.3Å |
| 212 | K | 78.4 | Confident | 79.9 | Confident | 105 Ų | 105 | 107.8 Ų | 107.8 | 46% | 0.457 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 135.2 | 167.9 | -75.4 | -168.3 | 163.2 | 170.2 | 0 | 111 | N214 E222 | K212-N214 PolarHBondContact O-N 3.37Å; K212-E222 WeakPolarHBondContact CE-OE1 3.02Å; K212-E222 WeakPolarHBondContact CE-OE2 3.39Å; K212-E222 IonicContact NZ-OE1 3.2Å; K212-E222 PolarHBondContact NZ-OE1 2.85Å; K212-E222 IonicContact NZ-OE2 3.62Å; K212-E222 PolarHBondContact NZ-OE2 3.22Å |
| 213 | Q | 68 | Low | 79.7 | Confident | 185 Ų | 185 | 101.4 Ų | 101.4 | 86% | 0.864 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -17.2 | -171.7 | -66.3 | -177.6 | -5.8 | 0 | 0 | 114.1 | ||
| 214 | N | 63 | Low | 79.5 | Confident | 162 Ų | 162 | 101.7 Ų | 101.7 | 87% | 0.866 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 18.9 | -163.5 | -131.8 | 1.1 | 0 | 0 | 0 | 115.5 | K212 | K212-N214 PolarHBondContact O-N 3.37Š|
| 215 | T | 55.8 | Low | 79.5 | Confident | 63 Ų | 63 | 101.4 Ų | 101.4 | 39% | 0.387 | 51% | 0.511 | S | S | . | . | trans | -130 | 96.3 | 176.5 | 58.2 | 0 | 0 | 0 | 0 | 112 | H218 | T215-H218 PolarHBondContact OG1-O 2.04Š| ||
| 216 | T | 56.2 | Low | 79.6 | Confident | 145 Ų | 145 | 99 Ų | 99 | 89% | 0.89 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -78.8 | -23.2 | 179.2 | 45.9 | 0 | 0 | 0 | 0 | 114 | ||
| 217 | V | 55.8 | Low | 79.7 | Confident | 126 Ų | 126 | 97.9 Ų | 97.9 | 76% | 0.764 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -98.5 | -27.1 | -174.4 | -176.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 218 | H | 59.9 | Low | 79.9 | Confident | 104 Ų | 104 | 102.6 Ų | 102.6 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -114.9 | 126 | -176.5 | -73 | 85.4 | 0 | 0 | 0 | 111.4 | T215 R220 | T215-H218 PolarHBondContact OG1-O 2.04Å; H218-R220 HydrophobicContact CB-CG 4.24Å; H218-R220 PolarHBondContact O-N 2.88Å |
| 219 | R | 65.2 | Low | 80.2 | Confident | 173 Ų | 173 | 96.3 Ų | 96.3 | 65% | 0.653 | 47% | 0.472 | S | S | * | . | trans | -74.4 | 65.4 | 176 | -61.4 | -171.7 | -166.8 | 170.5 | 7.3 | 112.1 | A250 | R219-A250 WeakPolarHBondContact O-CA 3.44Š| ||
| 220 | R | 76.6 | Confident | 80.4 | Confident | 144 Ų | 144 | 99.5 Ų | 99.5 | 54% | 0.543 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.7 | 178.2 | -65.5 | 178.8 | -171.9 | 173.8 | 5.2 | 110.5 | H218 | H218-R220 HydrophobicContact CB-CG 4.24Å; H218-R220 PolarHBondContact O-N 2.88Å |
| 221 | G | 86.6 | Confident | 80.6 | Confident | 2 Ų | 2 | 99.5 Ų | 99.5 | 2% | 0.021 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | -175.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V210 K248 C249 | V210-G221 CarbonylContact O-C 3.54Å; V210-G221 WeakPolarHBondContact O-CA 3.44Å; G221-K248 WeakPolarHBondContact O-CA 3Å; G221-C249 PolarHBondContact N-O 2.79Å; G221-C249 PolarHBondContact O-N 2.04Å; G221-C249 PolarHBondContact O-SG 2.72Å; G221-C249 VanDerWaalsContact O-SG 3.37Å |
| 222 | E | 91.6 | Very high | 81 | Confident | 49 Ų | 49 | 98.2 Ų | 98.2 | 23% | 0.229 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.4 | 171.2 | -82.5 | 167.9 | -173.4 | 0 | 0 | 111.3 | V210 K212 I246 R247 C249 | V210-E222 PolarHBondContact N-O 2.9Å; V210-E222 PolarHBondContact O-N 3.44Å; K212-E222 WeakPolarHBondContact CE-OE1 3.02Å; K212-E222 WeakPolarHBondContact CE-OE2 3.39Å; K212-E222 IonicContact NZ-OE1 3.2Å; K212-E222 PolarHBondContact NZ-OE1 2.85Å; K212-E222 IonicContact NZ-OE2 3.62Å; K212-E222 PolarHBondContact NZ-OE2 3.22Å; E222-I246 HydrophobicContact CB-CG2 3.68Å; E222-I246 HydrophobicContact CG-CG2 3.72Å; E222-R247 CarbonylContact C-O 3.41Å; E222-R247 WeakPolarHBondContact CA-O 3.35Å; E222-C249 VanDerWaalsContact C-SG 3.52Å; E222-C249 PolarHBondContact N-SG 3.29Å |
| 223 | E | 92.4 | Very high | 81.7 | Confident | 40 Ų | 40 | 95.2 Ų | 95.2 | 19% | 0.187 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 138.2 | 167.3 | -69.5 | 162.8 | -178.2 | 0 | 0 | 107.3 | W206 G207 C209 I246 R247 C249 | W206-E223 HydrophobicContact CB-CB 4.43Å; W206-E223 HydrophobicContact CD2-CB 4.48Å; W206-E223 HydrophobicContact CE3-CB 3.75Å; W206-E223 HydrophobicContact CZ3-CB 4.47Å; W206-E223 WeakPolarHBondContact CZ3-O 3.36Å; G207-E223 WeakPolarHBondContact O-CG 3.32Å; C209-E223 HydrophobicContact CB-CG 3.98Å; E223-I246 WeakPolarHBondContact O-CA 3.24Å; E223-R247 PolarHBondContact N-O 2.95Å; E223-R247 PolarHBondContact O-N 2.87Å; E223-R247 IonicContact OE2-CZ 3.77Å; E223-R247 IonicContact OE2-NE 2.71Å; E223-R247 IonicContact OE2-NH2 2.7Å; E223-R247 PolarHBondContact OE2-NH2 2.87Å; E223-C249 VanDerWaalsContact CD-CB 3.47Å; E223-C249 HydrophobicContact CG-CB 3.67Å; E223-C249 VanDerWaalsContact OE1-CB 3.26Å; E223-C249 WeakPolarHBondContact OE1-CB 3.31Å |
| 224 | T | 94.1 | Very high | 82.7 | Confident | 65 Ų | 65 | 87.6 Ų | 87.6 | 40% | 0.399 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 139.4 | 173.6 | -53.7 | 0 | 0 | 0 | 0 | 108.9 | G207 T226 E245 I246 | G207-T224 PolarHBondContact N-O 2.79Å; T224-T226 HydrophobicContact CG2-CG2 4.45Å; T224-E245 WeakPolarHBondContact CA-O 3.43Å; T224-I246 HydrophobicContact CG2-CG1 4.21Å |
| 225 | R | 96.1 | Very high | 83.7 | Confident | 59 Ų | 59 | 85 Ų | 85 | 22% | 0.223 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 154.9 | 162.7 | 65.5 | 175.3 | -178.8 | 164.5 | -1.3 | 109.9 | W203 W206 S244 E245 | W203-R225 HydrophobicContact CD2-CG 4.37Å; W203-R225 HydrophobicContact CE3-CB 4.39Å; W203-R225 HydrophobicContact CE3-CG 3.7Å; W203-R225 HydrophobicContact CZ3-CG 4.09Å; W206-R225 HydrophobicContact CD2-CB 4.16Å; W206-R225 HydrophobicContact CD2-CG 4.13Å; W206-R225 HydrophobicContact CE3-CB 3.95Å; W206-R225 HydrophobicContact CE3-CG 3.92Å; W206-R225 HydrophobicContact CH2-CG 3.77Å; W206-R225 HydrophobicContact CZ2-CG 3.98Å; W206-R225 HydrophobicContact CZ3-CB 4.22Å; W206-R225 HydrophobicContact CZ3-CG 3.74Å; R225-S244 WeakPolarHBondContact O-CA 3.03Å; R225-E245 HydrophobicContact CG-CB 4.06Å; R225-E245 IonicContact CZ-OE2 3.41Å; R225-E245 PolarHBondContact N-O 2.78Å; R225-E245 IonicContact NE-OE2 3.85Å; R225-E245 PolarHBondContact NE-OE2 2.96Å; R225-E245 IonicContact NH2-OE2 2.72Å; R225-E245 PolarHBondContact NH2-OE2 2.86Å; R225-E245 PolarHBondContact O-N 2.83Å |
| 226 | T | 96.2 | Very high | 85.1 | Confident | 57 Ų | 57 | 85.3 Ų | 85.3 | 35% | 0.35 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 165 | 179.2 | 55.3 | 0 | 0 | 0 | 0 | 110.7 | W203 T204 T224 V243 | W203-T226 VanDerWaalsContact CE3-C 3.5Å; T204-T226 WeakPolarHBondContact CG2-O 3.44Å; T204-T226 PolarHBondContact N-O 2.91Å; T204-T226 PolarHBondContact OG1-N 2.79Å; T204-T226 VanDerWaalsContact OG1-N 3.12Å; T204-T226 PolarHBondContact OG1-O 3.27Å; T224-T226 HydrophobicContact CG2-CG2 4.45Å; T226-V243 CarbonylContact C-O 3.57Å; T226-V243 WeakPolarHBondContact CA-O 3.06Å |
| 227 | R | 96.6 | Very high | 86.6 | Confident | 42 Ų | 42 | 79.1 Ų | 79.1 | 16% | 0.158 | 41% | 0.407 | C | S | . | . | trans | -138.6 | 151.9 | 167.4 | 57.9 | -179.5 | 170.5 | 178.5 | -4 | 109.5 | V200 G201 E202 W203 H242 V243 | V200-R227 VanDerWaalsContact CG2-NH1 3.32Å; G201-R227 WeakPolarHBondContact O-CB 3.36Å; G201-R227 WeakPolarHBondContact O-CD 3.44Å; E202-R227 WeakPolarHBondContact O-CB 3.44Å; W203-R227 HydrophobicContact CD2-CB 4.21Å; W203-R227 HydrophobicContact CD2-CG 4.18Å; W203-R227 HydrophobicContact CE3-CB 3.96Å; W203-R227 HydrophobicContact CE3-CG 3.95Å; W203-R227 HydrophobicContact CH2-CG 4.01Å; W203-R227 HydrophobicContact CZ2-CG 4.24Å; W203-R227 VanDerWaalsContact CZ2-NE 3.28Å; W203-R227 HydrophobicContact CZ3-CB 4.31Å; W203-R227 HydrophobicContact CZ3-CG 3.86Å; R227-H242 PolarHBondContact NE-O 3.34Å; R227-H242 PolarHBondContact NH2-O 2.04Å; R227-V243 PolarHBondContact N-O 3.38Å | ||
| 228 | Q | 95.5 | Very high | 88.2 | Confident | 137 Ų | 137 | 78 Ų | 78 | 64% | 0.64 | 40% | 0.397 | S | S | * | . | trans | -84.4 | 151.9 | 177.6 | -59.8 | -60.1 | -42.3 | 0 | 0 | 110.4 | V200 G201 | V200-Q228 WeakPolarHBondContact CA-O 3Å; G201-Q228 PolarHBondContact N-O 3.3Å | ||
| 229 | I | 96.3 | Very high | 89.8 | Confident | 48 Ų | 48 | 78.1 Ų | 78.1 | 25% | 0.246 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 127.6 | 164.3 | -63.8 | 162.5 | 0 | 0 | 0 | 106.6 | V200 H231 F232 C240 V243 | V200-I229 HydrophobicContact CG1-CG1 4.11Å; I229-H231 WeakPolarHBondContact CG2-O 3.3Å; I229-F232 HydrophobicContact CB-CE1 4.22Å; I229-F232 HydrophobicContact CB-CZ 4.23Å; I229-F232 HydrophobicContact CD1-CD1 4.29Å; I229-F232 HydrophobicContact CD1-CE1 3.69Å; I229-F232 HydrophobicContact CD1-CZ 4.33Å; I229-F232 HydrophobicContact CG2-CD1 3.89Å; I229-F232 HydrophobicContact CG2-CD2 4.24Å; I229-F232 HydrophobicContact CG2-CE1 3.94Å; I229-F232 HydrophobicContact CG2-CE2 4.28Å; I229-F232 HydrophobicContact CG2-CG 4.05Å; I229-F232 HydrophobicContact CG2-CZ 4.14Å; I229-C240 HydrophobicContact CD1-CB 4.23Å; I229-C240 HydrophobicContact CG1-CB 4.45Å; I229-V243 HydrophobicContact CD1-CG1 4.14Å; I229-V243 HydrophobicContact CG1-CG1 3.84Å |
| 230 | L | 94.1 | Very high | 91.1 | Very high | 105 Ų | 105 | 71.9 Ų | 71.9 | 55% | 0.55 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -47.2 | 178 | -61.4 | 179.2 | 0 | 0 | 0 | 110.5 | E199 | E199-L230 PolarHBondContact O-N 2.78Å |
| 231 | H | 91.9 | Very high | 91.9 | Very high | 103 Ų | 103 | 67.7 Ų | 67.7 | 48% | 0.477 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 124.6 | 174 | -67.6 | -81 | 0 | 0 | 0 | 109.2 | V196 C198 E199 I229 | V196-H231 HydrophobicContact CG1-CB 4.36Å; C198-H231 WeakPolarHBondContact CA-O 3.01Å; C198-H231 PolarHBondContact SG-O 3.07Å; C198-H231 VanDerWaalsContact SG-O 3.4Å; E199-H231 HydrophobicContact CB-CB 4.03Å; E199-H231 HydrophobicContact CG-CB 4.3Å; E199-H231 PolarHBondContact N-O 3.41Å; E199-H231 PolarHBondContact O-N 3.47Å; E199-H231 VanDerWaalsContact O-N 3.13Å; E199-H231 IonicContact OE2-CD2 3.68Å; E199-H231 PolarHBondContact OE2-CD2 3.27Å; I229-H231 WeakPolarHBondContact CG2-O 3.3Å |
| 232 | F | 90.9 | Very high | 92.2 | Very high | 148 Ų | 148 | 73 Ų | 73 | 65% | 0.649 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 144.8 | 171.6 | -72.2 | -83.4 | 0 | 0 | 0 | 109.9 | V196 I229 | V196-F232 WeakPolarHBondContact CG1-O 3.47Å; I229-F232 HydrophobicContact CB-CE1 4.22Å; I229-F232 HydrophobicContact CB-CZ 4.23Å; I229-F232 HydrophobicContact CD1-CD1 4.29Å; I229-F232 HydrophobicContact CD1-CE1 3.69Å; I229-F232 HydrophobicContact CD1-CZ 4.33Å; I229-F232 HydrophobicContact CG2-CD1 3.89Å; I229-F232 HydrophobicContact CG2-CD2 4.24Å; I229-F232 HydrophobicContact CG2-CE1 3.94Å; I229-F232 HydrophobicContact CG2-CE2 4.28Å; I229-F232 HydrophobicContact CG2-CG 4.05Å; I229-F232 HydrophobicContact CG2-CZ 4.14Å |
| 233 | P | 92.7 | Very high | 92.4 | Very high | 43 Ų | 43 | 73.3 Ų | 73.3 | 28% | 0.279 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -71 | 149.9 | 179.2 | 30 | -31.5 | 0 | 0 | 0 | 110.9 | V196 C198 D238 | V196-P233 CarbonylContact O-C 3.58Å; V196-P233 VanDerWaalsContact O-CA 3.27Å; V196-P233 WeakPolarHBondContact O-CA 3.36Å; C198-P233 HydrophobicContact CB-CB 4.02Å; C198-P233 HydrophobicContact CB-CG 3.95Å; P233-D238 WeakPolarHBondContact CB-O 3.25Å |
| 234 | S | 88.9 | Confident | 92.5 | Very high | 25 Ų | 25 | 74.5 Ų | 74.5 | 18% | 0.175 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 173.7 | 167.1 | 77.3 | 0 | 0 | 0 | 0 | 111 | E184 V196 S236 G237 | E184-S234 WeakPolarHBondContact OE1-CB 3.16Å; E184-S234 PolarHBondContact OE1-OG 2.03Å; E184-S234 PolarHBondContact OE2-OG 2.63Å; E184-S234 VanDerWaalsContact OE2-OG 3.11Å; V196-S234 PolarHBondContact N-OG 2.82Å; V196-S234 PolarHBondContact O-N 3.12Å; V196-S234 PolarHBondContact O-OG 2.79Å; S234-S236 PolarHBondContact O-N 3.19Å; S234-G237 PolarHBondContact O-N 2.88Å; S234-G237 PolarHBondContact OG-N 3.09Å |
| 235 | A | 85.3 | Confident | 92.6 | Very high | 106 Ų | 106 | 74.5 Ų | 74.5 | 88% | 0.876 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -31.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 236 | S | 84.7 | Confident | 92.5 | Very high | 70 Ų | 70 | 76.4 Ų | 76.4 | 49% | 0.49 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 1.9 | 177 | -37.2 | 0 | 0 | 0 | 0 | 114 | E184 S234 | E184-S236 WeakPolarHBondContact OE2-CB 3.23Å; E184-S236 PolarHBondContact OE2-N 2.81Å; E184-S236 PolarHBondContact OE2-OG 2.85Å; S234-S236 PolarHBondContact O-N 3.19Å |
| 237 | G | 87.3 | Confident | 92.3 | Very high | 16 Ų | 16 | 79.1 Ų | 79.1 | 17% | 0.165 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -84.1 | 161 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V196 S234 | V196-G237 WeakPolarHBondContact O-CA 3.44Å; S234-G237 PolarHBondContact O-N 2.88Å; S234-G237 PolarHBondContact OG-N 3.09Å |
| 238 | D | 89.4 | Confident | 92 | Very high | 102 Ų | 102 | 84.8 Ų | 84.8 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 131.8 | 178.1 | -71.3 | -57.9 | 0 | 0 | 0 | 111.6 | H197 C198 P233 | H197-D238 HydrophobicContact CB-CB 4.45Å; H197-D238 IonicContact CE1-OD2 2.66Å; H197-D238 PolarHBondContact CE1-OD2 3.44Å; H197-D238 IonicContact CG-OD2 3.97Å; H197-D238 IonicContact ND1-OD2 2.77Å; H197-D238 PolarHBondContact ND1-OD2 2.83Å; C198-D238 WeakPolarHBondContact CB-O 3.48Å; C198-D238 PolarHBondContact N-O 2.95Å; P233-D238 WeakPolarHBondContact CB-O 3.25Å |
| 239 | P | 92.6 | Very high | 91.6 | Very high | 107 Ų | 107 | 79.2 Ų | 79.2 | 70% | 0.695 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 151.1 | -177.7 | 28.7 | -35.8 | 0 | 0 | 0 | 111.6 | ||
| 240 | C | 93.8 | Very high | 91 | Very high | 42 Ų | 42 | 80.8 Ų | 80.8 | 28% | 0.284 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 130 | -178.6 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | C198 I229 | C198-C240 VanDerWaalsContact CB-CA 3.48Å; C198-C240 HydrophobicContact CB-CB 3.83Å; C198-C240 WeakPolarHBondContact CB-SG 3.14Å; C198-C240 WeakPolarHBondContact SG-CA 3.22Å; C198-C240 WeakPolarHBondContact SG-CB 3.18Å; C198-C240 CovalentContact SG-SG 2.03Å; C198-C240 PolarHBondContact SG-SG 2.94Å; I229-C240 HydrophobicContact CD1-CB 4.23Å; I229-C240 HydrophobicContact CG1-CB 4.45Å |
| 241 | P | 93.5 | Very high | 90.1 | Very high | 56 Ų | 56 | 77.1 Ų | 77.1 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 160.2 | 169.2 | 32.1 | -37.2 | 0 | 0 | 0 | 109.7 | V200 V243 | V200-P241 HydrophobicContact CG1-CG 4.15Å; V200-P241 HydrophobicContact CG2-CG 3.74Å; P241-V243 PolarHBondContact O-N 3.03Å |
| 242 | H | 92.4 | Very high | 88.9 | Confident | 113 Ų | 113 | 82 Ų | 82 | 52% | 0.523 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -48.9 | 131.8 | -175.1 | 65.8 | -84.1 | 0 | 0 | 0 | 113.1 | W203 R227 | W203-H242 AromaticContact CH2-CD2 3.69Å; W203-H242 AromaticContact CH2-NE2 3.9Å; W203-H242 AromaticContact CZ2-CD2 3.92Å; W203-H242 AromaticContact CZ2-NE2 3.66Å; R227-H242 PolarHBondContact NE-O 3.34Å; R227-H242 PolarHBondContact NH2-O 2.04Å |
| 243 | V | 95.9 | Very high | 87.4 | Confident | 55 Ų | 55 | 83.1 Ų | 83.1 | 33% | 0.333 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -100 | -5.5 | -174.8 | -65.2 | 0 | 0 | 0 | 0 | 113.6 | V200 T226 R227 I229 P241 | V200-V243 HydrophobicContact CG1-CG1 4.48Å; T226-V243 CarbonylContact C-O 3.57Å; T226-V243 WeakPolarHBondContact CA-O 3.06Å; R227-V243 PolarHBondContact N-O 3.38Å; I229-V243 HydrophobicContact CD1-CG1 4.14Å; I229-V243 HydrophobicContact CG1-CG1 3.84Å; P241-V243 PolarHBondContact O-N 3.03Å |
| 244 | S | 94.6 | Very high | 85.5 | Confident | 66 Ų | 66 | 91 Ų | 91 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 141.1 | 176.5 | 58.3 | 0 | 0 | 0 | 0 | 110.4 | R225 | R225-S244 WeakPolarHBondContact O-CA 3.03Å |
| 245 | E | 96.1 | Very high | 83.8 | Confident | 65 Ų | 65 | 98.2 Ų | 98.2 | 30% | 0.304 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139.4 | 175.7 | -167.6 | -169.5 | 172.6 | 0 | 0 | 109.5 | W203 W206 T224 R225 | W203-E245 HydrophobicContact CH2-CB 4.07Å; W203-E245 HydrophobicContact CZ3-CB 4.21Å; W206-E245 HydrophobicContact CH2-CB 4.3Å; W206-E245 HydrophobicContact CH2-CG 4.07Å; T224-E245 WeakPolarHBondContact CA-O 3.43Å; R225-E245 HydrophobicContact CG-CB 4.06Å; R225-E245 IonicContact CZ-OE2 3.41Å; R225-E245 PolarHBondContact N-O 2.78Å; R225-E245 IonicContact NE-OE2 3.85Å; R225-E245 PolarHBondContact NE-OE2 2.96Å; R225-E245 IonicContact NH2-OE2 2.72Å; R225-E245 PolarHBondContact NH2-OE2 2.86Å; R225-E245 PolarHBondContact O-N 2.83Å |
| 246 | I | 93.2 | Very high | 82 | Confident | 99 Ų | 99 | 103.1 Ų | 103.1 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.5 | -177 | -55 | 177.4 | 0 | 0 | 0 | 109.1 | E222 E223 T224 | E222-I246 HydrophobicContact CB-CG2 3.68Å; E222-I246 HydrophobicContact CG-CG2 3.72Å; E223-I246 WeakPolarHBondContact O-CA 3.24Å; T224-I246 HydrophobicContact CG2-CG1 4.21Å |
| 247 | R | 92.3 | Very high | 80.2 | Confident | 113 Ų | 113 | 105.1 Ų | 105.1 | 43% | 0.426 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 145 | -180 | -172.8 | -175.1 | 66 | -172.2 | -4.6 | 111.3 | W206 E222 E223 | W206-R247 HydrophobicContact CE3-CB 4.31Å; W206-R247 HydrophobicContact CH2-CB 3.47Å; W206-R247 VanDerWaalsContact CH2-CB 3.47Å; W206-R247 HydrophobicContact CH2-CG 4.48Å; W206-R247 HydrophobicContact CZ2-CB 4.15Å; W206-R247 HydrophobicContact CZ3-CB 3.56Å; E222-R247 CarbonylContact C-O 3.41Å; E222-R247 WeakPolarHBondContact CA-O 3.35Å; E223-R247 PolarHBondContact N-O 2.95Å; E223-R247 PolarHBondContact O-N 2.87Å; E223-R247 IonicContact OE2-CZ 3.77Å; E223-R247 IonicContact OE2-NE 2.71Å; E223-R247 IonicContact OE2-NH2 2.7Å; E223-R247 PolarHBondContact OE2-NH2 2.87Å |
| 248 | K | 90.8 | Very high | 78.3 | Confident | 162 Ų | 162 | 114.2 Ų | 114.2 | 70% | 0.704 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.9 | 138.1 | 176.3 | -64.9 | 168.9 | -174.8 | 163.9 | 0 | 111.1 | G221 | G221-K248 WeakPolarHBondContact O-CA 3Å |
| 249 | C | 86.7 | Confident | 76.3 | Confident | 19 Ų | 19 | 115 Ų | 115 | 13% | 0.128 | 58% | 0.583 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -136.3 | 166.9 | -179.9 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | C209 G221 E222 E223 | C209-C249 WeakPolarHBondContact CA-SG 3.44Å; C209-C249 HydrophobicContact CB-CB 3.81Å; C209-C249 WeakPolarHBondContact CB-SG 3.08Å; C209-C249 WeakPolarHBondContact SG-CB 3.04Å; C209-C249 CovalentContact SG-SG 2.02Å; C209-C249 PolarHBondContact SG-SG 3.34Å; G221-C249 PolarHBondContact N-O 2.79Å; G221-C249 PolarHBondContact O-N 2.04Å; G221-C249 PolarHBondContact O-SG 2.72Å; G221-C249 VanDerWaalsContact O-SG 3.37Å; E222-C249 VanDerWaalsContact C-SG 3.52Å; E222-C249 PolarHBondContact N-SG 3.29Å; E223-C249 VanDerWaalsContact CD-CB 3.47Å; E223-C249 HydrophobicContact CG-CB 3.67Å; E223-C249 VanDerWaalsContact OE1-CB 3.26Å; E223-C249 WeakPolarHBondContact OE1-CB 3.31Å |
| 250 | A | 83.4 | Confident | 73.9 | Confident | 82 Ų | 82 | 120.5 Ų | 120.5 | 68% | 0.678 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R219 | R219-A250 WeakPolarHBondContact O-CA 3.44Å |
| 251 | T | 76.2 | Confident | 72.9 | Confident | 27 Ų | 27 | 124.4 Ų | 124.4 | 17% | 0.166 | 62% | 0.616 | C | S | . | * | P | Polyproline II helix | trans | -79.2 | 129.7 | -176.9 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | R211 | R211-T251 HydrophobicContact CB-CG2 4.06Å; R211-T251 HydrophobicContact CG-CG2 4.3Å |
| 252 | K | 66.8 | Low | 71.9 | Confident | 205 Ų | 205 | 128 Ų | 128 | 89% | 0.891 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -75 | 145.2 | 174.4 | -69.1 | -176.7 | -179.4 | 179.1 | 0 | 110.9 | K254 | K252-K254 PolarHBondContact O-N 2.9Š|
| 253 | K | 58.4 | Low | 70.7 | Confident | 173 Ų | 173 | 128.8 Ų | 128.8 | 75% | 0.752 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 120.2 | 176.9 | -168.1 | 180 | -175.1 | -176.6 | 0 | 108.5 | Q255 | K253-Q255 PolarHBondContact O-N 3.43Š|
| 254 | K | 54.4 | Low | 69.2 | Low | 207 Ų | 207 | 133.2 Ų | 133.2 | 90% | 0.9 | 65% | 0.652 | S | S | * | * | trans | -64.2 | 106.9 | 170.6 | -164 | 175.9 | -172.5 | 179.6 | 0 | 107.5 | K252 K256 | K252-K254 PolarHBondContact O-N 2.9Å; K254-K256 PolarHBondContact O-N 3.05Å | ||
| 255 | Q | 51.9 | Low | 67.6 | Low | 178 Ų | 178 | 137.4 Ų | 137.4 | 83% | 0.832 | 66% | 0.664 | S | S | * | * | trans | -62.6 | 130.5 | 170.5 | -85 | 175.6 | -44.1 | 0 | 0 | 107.6 | K253 S257 | K253-Q255 PolarHBondContact O-N 3.43Å; Q255-S257 PolarHBondContact O-N 3.31Å; Q255-S257 VanDerWaalsContact O-N 3.14Å | ||
| 256 | K | 48 | Very low | 65.8 | Low | 208 Ų | 208 | 142.2 Ų | 142.2 | 90% | 0.904 | 69% | 0.688 | S | S | * | * | trans | -64.9 | 112.1 | 167.2 | -122.9 | -176.8 | 177.5 | -173.2 | 0 | 105.4 | K254 R258 | K254-K256 PolarHBondContact O-N 3.05Å; K256-R258 PolarHBondContact O-N 2.99Å | ||
| 257 | S | 47.1 | Very low | 63.8 | Low | 113 Ų | 113 | 145.3 Ų | 145.3 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | trans | -59.7 | 109.1 | 165.2 | 47.4 | 0 | 0 | 0 | 0 | 106.8 | Q255 S259 | Q255-S257 PolarHBondContact O-N 3.31Å; Q255-S257 VanDerWaalsContact O-N 3.14Å; S257-S259 PolarHBondContact O-N 3.41Å | ||
| 258 | R | 47.3 | Very low | 61.6 | Low | 206 Ų | 206 | 147.8 Ų | 147.8 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | trans | -76 | 107.9 | 173 | -166.3 | 177.3 | 177.5 | 161.3 | 1.4 | 105.4 | K256 E260 | K256-R258 PolarHBondContact O-N 2.99Å; R258-E260 HydrophobicContact CG-CG 4.5Å; R258-E260 IonicContact CZ-OE1 3.35Å; R258-E260 IonicContact NE-OE1 3.14Å; R258-E260 PolarHBondContact NE-OE1 2.76Å; R258-E260 VanDerWaalsContact NE-OE1 3.14Å; R258-E260 IonicContact NH2-OE1 3.64Å; R258-E260 PolarHBondContact O-N 2.74Å | ||
| 259 | S | 47.9 | Very low | 59.2 | Low | 119 Ų | 119 | 146.6 Ų | 146.6 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | -72.8 | 112.7 | 171 | 49.2 | 0 | 0 | 0 | 0 | 108.1 | S257 | S257-S259 PolarHBondContact O-N 3.41Š| ||
| 260 | E | 41.9 | Very low | 56.7 | Low | 222 Ų | 222 | 158.2 Ų | 158.2 | 100% | 1.037 | 78% | 0.778 | S | S | * | * | trans | -123.3 | 0 | 164.2 | -75 | 172.8 | 166.2 | 0 | 0 | 106.6 | R258 | R258-E260 HydrophobicContact CG-CG 4.5Å; R258-E260 IonicContact CZ-OE1 3.35Å; R258-E260 IonicContact NE-OE1 3.14Å; R258-E260 PolarHBondContact NE-OE1 2.76Å; R258-E260 VanDerWaalsContact NE-OE1 3.14Å; R258-E260 IonicContact NH2-OE1 3.64Å; R258-E260 PolarHBondContact O-N 2.74Å |
Retrieved 260 of 260 residues in 346.9 ms
(Link to these results)