| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.9 | Low | 48.1 | Very low | 221 Ų | 221 | 137.7 Ų | 137.7 | 100% | 1.089 | 72% | 0.719 | S | S | * | * | 0 | 0.4 | 0 | -78.3 | 173 | 80.1 | 0 | 0 | 114.8 | |||||
| 2 | L | 49.7 | Very low | 47.7 | Very low | 136 Ų | 136 | 138 Ų | 138 | 71% | 0.712 | 72% | 0.721 | S | S | * | * | trans | -87.9 | -13.5 | 176.3 | -85.3 | 111.8 | 0 | 0 | 0 | 115.6 | ||||
| 3 | L | 45.1 | Very low | 47.4 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -12.7 | -179.4 | -151.5 | 74.3 | 0 | 0 | 0 | 113.8 | ||
| 4 | R | 47.8 | Very low | 47.3 | Very low | 218 Ų | 218 | 136.6 Ų | 136.6 | 82% | 0.823 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -14.2 | 177.9 | -95.9 | -171.8 | 172.7 | -153.6 | -1 | 114.2 | ||
| 5 | Q | 48.2 | Very low | 47.5 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 67% | 0.673 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -18.2 | 178.6 | -87.1 | 176.3 | -25.2 | 0 | 0 | 113.9 | T9 | Q5-T9 PolarHBondContact O-OG1 3.23Š|
| 6 | F | 46.9 | Very low | 47.3 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 69% | 0.693 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -83.3 | -18.4 | 175.7 | -83.6 | -81.7 | 0 | 0 | 0 | 114.3 | ||
| 7 | L | 48.1 | Very low | 46.9 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -83.5 | -16.9 | 178.4 | -75.4 | 165 | 0 | 0 | 0 | 113.4 | ||
| 8 | L | 47 | Very low | 47 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -94.2 | -22.1 | 177.9 | -92.5 | 142.8 | 0 | 0 | 0 | 113.2 | ||
| 9 | T | 48.2 | Very low | 46.6 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 57% | 0.571 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -86.6 | -18.5 | 174.8 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | Q5 | Q5-T9 PolarHBondContact O-OG1 3.23Å |
| 10 | G | 45 | Very low | 46.1 | Very low | 61 Ų | 61 | 133.7 Ų | 133.7 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -80.2 | -14.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 11 | A | 47.2 | Very low | 45.5 | Very low | 63 Ų | 63 | 133.4 Ų | 133.4 | 52% | 0.521 | 75% | 0.75 | S | S | . | * | S | Bend | trans | -97.8 | -4.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 12 | L | 43.3 | Very low | 44.7 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -106.5 | -2 | 179.3 | -104.4 | 117.3 | 0 | 0 | 0 | 114.5 | ||
| 13 | L | 43.8 | Very low | 44 | Very low | 162 Ų | 162 | 128 Ų | 128 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -101.1 | 17.1 | 173.8 | -110.4 | 93.9 | 0 | 0 | 0 | 113.9 | ||
| 14 | S | 45.6 | Very low | 43.6 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -105.5 | 8.3 | 174 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 15 | L | 50.9 | Low | 43.1 | Very low | 161 Ų | 161 | 125.1 Ų | 125.1 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -124.4 | 21.3 | -175.2 | -87.2 | 163.6 | 0 | 0 | 0 | 114.9 | ||
| 16 | A | 43.8 | Very low | 42.5 | Very low | 101 Ų | 101 | 124 Ų | 124 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | trans | -136.5 | 101.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 17 | G | 40.3 | Very low | 42.4 | Very low | 74 Ų | 74 | 122.4 Ų | 122.4 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | trans | 151.8 | 77.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 18 | P | 50.1 | Low | 41.9 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | trans | -82.3 | 160 | 151.7 | 35.3 | -28.1 | 0 | 0 | 0 | 110.1 | ||||
| 19 | L | 38 | Very low | 41.6 | Very low | 155 Ų | 155 | 120.7 Ų | 120.7 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | 83.2 | 99.6 | 176.3 | -82.8 | 80.5 | 0 | 0 | 0 | 117.7 | ||||
| 20 | L | 36.5 | Very low | 41.2 | Very low | 157 Ų | 157 | 122.1 Ų | 122.1 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | 164.1 | 88.3 | 107 | -93.2 | 145.2 | 0 | 0 | 0 | 109.7 | |||||
| 21 | V | 34.3 | Very low | 41.1 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -121.9 | 92.9 | 152.7 | 179.8 | 0 | 0 | 0 | 0 | 105.8 | M23 | V21-M23 VanDerWaalsContact C-N 3.34Å; V21-M23 PolarHBondContact O-N 3.33Å; V21-M23 VanDerWaalsContact O-N 3.1Å | ||
| 22 | A | 37.9 | Very low | 40.8 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -68.3 | 100.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | E24 | A22-E24 PolarHBondContact O-N 3.21Š| ||
| 23 | M | 36.5 | Very low | 40.8 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -72.8 | 111.6 | 163.1 | 44.7 | -173.8 | 70.7 | 0 | 0 | 107.1 | V21 T25 | V21-M23 VanDerWaalsContact C-N 3.34Å; V21-M23 PolarHBondContact O-N 3.33Å; V21-M23 VanDerWaalsContact O-N 3.1Å; M23-T25 PolarHBondContact O-N 3.47Å | ||
| 24 | E | 36.3 | Very low | 40.7 | Very low | 191 Ų | 191 | 121.7 Ų | 121.7 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -61.8 | 103.4 | 165.5 | -77.2 | -171.4 | 155.9 | 0 | 0 | 107.7 | A22 C26 | A22-E24 PolarHBondContact O-N 3.21Å; E24-C26 PolarHBondContact O-N 3.37Å | ||
| 25 | T | 36.8 | Very low | 40.7 | Very low | 121 Ų | 121 | 125 Ų | 125 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -59.2 | 122.1 | 168.9 | 45.8 | 0 | 0 | 0 | 0 | 108.8 | M23 P27 | M23-T25 PolarHBondContact O-N 3.47Å; T25-P27 VanDerWaalsContact O-CD 3.24Å; T25-P27 WeakPolarHBondContact O-CD 3.38Å | ||
| 26 | C | 36.6 | Very low | 40.4 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -55.9 | 120 | 167 | -58.7 | 0 | 0 | 0 | 0 | 109 | E24 A28 | E24-C26 PolarHBondContact O-N 3.37Å; C26-A28 PolarHBondContact O-N 3.44Å; C26-A28 VanDerWaalsContact O-N 3.11Å | ||
| 27 | P | 43.1 | Very low | 40.5 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | -70.1 | 109.7 | 168.6 | 26 | -28.4 | 0 | 0 | 0 | 108.1 | T25 M29 | T25-P27 VanDerWaalsContact O-CD 3.24Å; T25-P27 WeakPolarHBondContact O-CD 3.38Å; P27-M29 PolarHBondContact O-N 3.4Å | ||
| 28 | A | 38.6 | Very low | 40.7 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 127.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | C26 | C26-A28 PolarHBondContact O-N 3.44Å; C26-A28 VanDerWaalsContact O-N 3.11Å |
| 29 | M | 40.3 | Very low | 40.7 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 133.3 | 171.3 | -65.9 | -176.7 | -166.3 | 0 | 0 | 108.8 | P27 G31 S456 | P27-M29 PolarHBondContact O-N 3.4Å; M29-G31 PolarHBondContact O-N 3.3Å; M29-S456 PolarHBondContact SD-OG 3.07Å |
| 30 | P | 41.2 | Very low | 41.2 | Very low | 124 Ų | 124 | 121.6 Ų | 121.6 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 130.6 | 175 | -22.4 | 31.5 | 0 | 0 | 0 | 110.3 | I32 | P30-I32 PolarHBondContact O-N 3.5Š|
| 31 | G | 41.5 | Very low | 41.7 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 139.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110 | M29 | M29-G31 PolarHBondContact O-N 3.3Š|
| 32 | I | 41.1 | Very low | 42.4 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 128.6 | 176.6 | -52.4 | 170.5 | 0 | 0 | 0 | 107.7 | P30 G34 | P30-I32 PolarHBondContact O-N 3.5Å; I32-G34 PolarHBondContact O-N 3.32Å |
| 33 | P | 43 | Very low | 42.8 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 132.8 | 176.7 | -26.5 | 34 | 0 | 0 | 0 | 110.5 | I35 | P33-I35 PolarHBondContact O-N 3.22Š|
| 34 | G | 43.2 | Very low | 43.2 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 138.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | I32 | I32-G34 PolarHBondContact O-N 3.32Š|
| 35 | I | 43.9 | Very low | 43.9 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 128.1 | 174.9 | -56.9 | 172.1 | 0 | 0 | 0 | 107.2 | P33 G37 | P33-I35 PolarHBondContact O-N 3.22Å; I35-G37 PolarHBondContact O-N 3.26Å |
| 36 | P | 45.7 | Very low | 44.4 | Very low | 113 Ų | 113 | 126 Ų | 126 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 136.3 | 177.3 | -27.3 | 34.6 | 0 | 0 | 0 | 110.8 | L38 | P36-L38 PolarHBondContact O-N 3.37Š|
| 37 | G | 45.4 | Very low | 44.7 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 141.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | I35 | I35-G37 PolarHBondContact O-N 3.26Š|
| 38 | L | 44.5 | Very low | 45.2 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 138.9 | 173.3 | -69.4 | 168 | 0 | 0 | 0 | 109.2 | P36 G40 | P36-L38 PolarHBondContact O-N 3.37Å; L38-G40 PolarHBondContact O-N 3.29Å |
| 39 | P | 51.1 | Low | 45.8 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 140.8 | 174.4 | -27.1 | 34.6 | 0 | 0 | 0 | 111.2 | ||
| 40 | G | 47.9 | Very low | 46.1 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 142.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L38 D42 | L38-G40 PolarHBondContact O-N 3.29Å; G40-D42 PolarHBondContact O-N 3.44Å |
| 41 | R | 47 | Very low | 46.6 | Very low | 248 Ų | 248 | 138.7 Ų | 138.7 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 136.8 | 173.2 | -70.6 | -176.8 | 171.2 | -171.4 | -3.2 | 108.9 | ||
| 42 | D | 49.5 | Very low | 46.9 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 142 | 175.2 | -59.3 | -35 | 0 | 0 | 0 | 110.5 | G40 | G40-D42 PolarHBondContact O-N 3.44Š|
| 43 | G | 45.2 | Very low | 47.1 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 141.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110 | D45 | G43-D45 PolarHBondContact O-N 3.37Š|
| 44 | R | 45 | Very low | 47.3 | Very low | 245 Ų | 245 | 138.8 Ų | 138.8 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 132.5 | 173.3 | -61.7 | -173.1 | -160.8 | -167.4 | 5.9 | 108.6 | G46 | R44-G46 PolarHBondContact O-N 3.5Š|
| 45 | D | 51.3 | Low | 47.4 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -53 | 134.5 | 172.1 | -63 | -28.2 | 0 | 0 | 0 | 110.1 | G43 Q47 | G43-D45 PolarHBondContact O-N 3.37Å; D45-Q47 PolarHBondContact O-N 3.36Å |
| 46 | G | 48 | Very low | 47.2 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 136.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | R44 K48 | R44-G46 PolarHBondContact O-N 3.5Å; G46-K48 PolarHBondContact O-N 3.48Å; G46-K48 VanDerWaalsContact O-N 3.14Å |
| 47 | Q | 43.1 | Very low | 46.8 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 122.5 | 174.6 | -75.2 | -176.3 | 4.1 | 0 | 0 | 109.3 | D45 G49 | D45-Q47 PolarHBondContact O-N 3.36Å; Q47-G49 PolarHBondContact O-N 3.1Å |
| 48 | K | 53 | Low | 46.7 | Very low | 202 Ų | 202 | 148.5 Ų | 148.5 | 88% | 0.878 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 123.2 | 173.3 | -175.1 | 177 | -177.1 | 176.6 | 0 | 108.4 | G46 | G46-K48 PolarHBondContact O-N 3.48Å; G46-K48 VanDerWaalsContact O-N 3.14Å |
| 49 | G | 50.1 | Low | 46.4 | Very low | 67 Ų | 67 | 147.7 Ų | 147.7 | 69% | 0.691 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 142.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q47 | Q47-G49 PolarHBondContact O-N 3.1Š|
| 50 | E | 47.1 | Very low | 45.8 | Very low | 196 Ų | 196 | 145.6 Ų | 145.6 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -62 | 136.6 | -178.8 | -66.8 | -175.7 | 146.7 | 0 | 0 | 111.2 | ||
| 51 | K | 52.3 | Low | 45.3 | Very low | 201 Ų | 201 | 148.5 Ų | 148.5 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 124.5 | 178.9 | -167.8 | -175.9 | -159.6 | -178.4 | 0 | 108.2 | ||
| 52 | G | 46.6 | Very low | 45 | Very low | 68 Ų | 68 | 145.6 Ų | 145.6 | 70% | 0.701 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 143.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 53 | D | 45.2 | Very low | 44.3 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 142 | -173.3 | -63.7 | -50.3 | 0 | 0 | 0 | 113.3 | ||
| 54 | P | 48.4 | Very low | 44.4 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 80% | 0.799 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 139.9 | 174.1 | -14.2 | 28.9 | 0 | 0 | 0 | 112.6 | ||
| 55 | G | 44 | Very low | 44.4 | Very low | 78 Ų | 78 | 143.2 Ų | 143.2 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -69 | 134.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 56 | A | 41.1 | Very low | 43.8 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 87% | 0.868 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 135.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 57 | E | 37 | Very low | 43.5 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 90% | 0.902 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 157.2 | 173.8 | -72.7 | -172.2 | 151 | 0 | 0 | 113.4 | ||
| 58 | R | 43.1 | Very low | 43.4 | Very low | 243 Ų | 243 | 148.1 Ų | 148.1 | 92% | 0.917 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 145.7 | -179 | -69.8 | 178.2 | 169.8 | 127.3 | -2.9 | 112 | ||
| 59 | T | 38.4 | Very low | 42.9 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 92% | 0.92 | 85% | 0.845 | S | S | * | * | trans | -140.2 | 129.4 | 152.4 | 19.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 60 | G | 38.8 | Very low | 42.9 | Very low | 72 Ų | 72 | 147.4 Ų | 147.4 | 74% | 0.742 | 84% | 0.843 | S | S | * | * | trans | -104.1 | 179.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 61 | S | 36.7 | Very low | 42.9 | Very low | 129 Ų | 129 | 146 Ų | 146 | 90% | 0.902 | 84% | 0.837 | S | S | * | * | trans | -162.8 | 116.3 | 147.1 | -77.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 62 | L | 40.6 | Very low | 43 | Very low | 187 Ų | 187 | 142 Ų | 142 | 98% | 0.979 | 83% | 0.831 | S | S | * | * | trans | -21.6 | 146.1 | 169.4 | -66.5 | 151.7 | 0 | 0 | 0 | 122.4 | ||||
| 63 | G | 35.3 | Very low | 43.2 | Very low | 69 Ų | 69 | 142.5 Ų | 142.5 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | trans | -169 | 147 | 149.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 64 | P | 46.8 | Very low | 43.6 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 92% | 0.922 | 84% | 0.839 | S | S | * | * | -97.5 | 169.2 | -127.1 | 36.6 | -37.1 | 0 | 0 | 0 | 119.4 | |||||
| 65 | Q | 46.2 | Very low | 44.2 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | -65.4 | 159.7 | -165.1 | -71 | 169.8 | -37.6 | 0 | 0 | 119.4 | ||||
| 66 | K | 37.4 | Very low | 44.9 | Very low | 213 Ų | 213 | 141.1 Ų | 141.1 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -144.8 | 120.7 | 138.5 | -160.2 | 173.1 | -177.8 | 179.7 | 0 | 109.5 | ||||
| 67 | G | 42.6 | Very low | 45.9 | Very low | 57 Ų | 57 | 140.1 Ų | 140.1 | 59% | 0.588 | 82% | 0.815 | S | S | * | * | trans | -77.5 | 177.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 68 | W | 41 | Very low | 47.2 | Very low | 261 Ų | 261 | 136.6 Ų | 136.6 | 99% | 0.989 | 81% | 0.809 | S | S | * | * | cis | -166.1 | 163 | 34.9 | -80.9 | 59.9 | 0 | 0 | 0 | 110.4 | ||||
| 69 | K | 42.1 | Very low | 48.1 | Very low | 191 Ų | 191 | 127 Ų | 127 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | 147.4 | 118.4 | 132.1 | -163.7 | 178.4 | -173.8 | -171.3 | 0 | 109.1 | ||||
| 70 | G | 51.1 | Low | 49.3 | Very low | 63 Ų | 63 | 127.1 Ų | 127.1 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | -101.9 | 147.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 71 | E | 45.7 | Very low | 50.4 | Low | 167 Ų | 167 | 134.8 Ų | 134.8 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | 166.5 | 171.8 | 168.1 | -96.5 | 156.5 | -146.1 | 0 | 0 | 107.2 | ||||
| 72 | P | 55 | Low | 51.7 | Low | 117 Ų | 117 | 129.4 Ų | 129.4 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | cis | -103.5 | 178.5 | -30.3 | -1.5 | 24.3 | 0 | 0 | 0 | 112.4 | L74 | P72-L74 PolarHBondContact O-N 3.41Š| ||
| 73 | G | 50.5 | Low | 52.8 | Low | 78 Ų | 78 | 125 Ų | 125 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 131 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A75 | G73-A75 PolarHBondContact O-N 3.26Š|
| 74 | L | 54.4 | Low | 54.3 | Low | 173 Ų | 173 | 127 Ų | 127 | 91% | 0.906 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 127.8 | -173.9 | -65 | 170.5 | 0 | 0 | 0 | 111 | P72 G76 | P72-L74 PolarHBondContact O-N 3.41Å; L74-G76 PolarHBondContact O-N 3.46Å |
| 75 | A | 60.8 | Low | 55.2 | Low | 94 Ų | 94 | 121.6 Ų | 121.6 | 78% | 0.777 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 139 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G73 | G73-A75 PolarHBondContact O-N 3.26Š|
| 76 | G | 59.2 | Low | 56.3 | Low | 63 Ų | 63 | 118.8 Ų | 118.8 | 65% | 0.649 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 136.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L74 | L74-G76 PolarHBondContact O-N 3.46Š|
| 77 | P | 60.5 | Low | 57.9 | Low | 84 Ų | 84 | 114.2 Ų | 114.2 | 55% | 0.545 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 137.8 | -175.1 | 22.2 | -32.1 | 0 | 0 | 0 | 109.5 | G79 W287 | P77-G79 PolarHBondContact O-N 3.14Å; P77-W287 HydrophobicContact CG-CZ2 4.28Å |
| 78 | P | 65.1 | Low | 59.1 | Low | 120 Ų | 120 | 112.7 Ų | 112.7 | 78% | 0.779 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 139.1 | 174.9 | -26.9 | 33.6 | 0 | 0 | 0 | 110.6 | K80 | P78-K80 PolarHBondContact O-N 3.39Š|
| 79 | G | 62.5 | Low | 60.7 | Low | 40 Ų | 40 | 101.8 Ų | 101.8 | 41% | 0.412 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -48.8 | 133.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P77 R81 | P77-G79 PolarHBondContact O-N 3.14Å; G79-R81 PolarHBondContact O-N 3.44Å |
| 80 | K | 62 | Low | 62.2 | Low | 154 Ų | 154 | 98.5 Ų | 98.5 | 67% | 0.67 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 129.8 | -177.6 | -69.4 | 179.1 | 178.9 | 178.6 | 0 | 108.8 | P78 G82 W287 | P78-K80 PolarHBondContact O-N 3.39Å; K80-G82 PolarHBondContact O-N 3.41Å; K80-W287 HydrophobicContact CD-CZ3 4.2Å; K80-W287 HydrophobicContact CG-CZ3 4.12Å |
| 81 | R | 63.3 | Low | 63.1 | Low | 233 Ų | 233 | 96.9 Ų | 96.9 | 88% | 0.879 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 129.9 | 174.4 | -174.9 | -176.2 | -67.8 | -164.4 | -0.7 | 107.9 | G79 | G79-R81 PolarHBondContact O-N 3.44Š|
| 82 | G | 63.3 | Low | 64.3 | Low | 15 Ų | 15 | 92 Ų | 92 | 16% | 0.155 | 60% | 0.598 | C | S | . | * | P | Polyproline II helix | trans | -54.2 | 151.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | K80 S84 | K80-G82 PolarHBondContact O-N 3.41Å; G82-S84 PolarHBondContact O-N 3.01Å |
| 83 | P | 64.6 | Low | 65.1 | Low | 96 Ų | 96 | 90.5 Ų | 90.5 | 62% | 0.623 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 136.5 | 177.1 | 24 | -32.4 | 0 | 0 | 0 | 109.7 | G85 G294 | P83-G85 PolarHBondContact O-N 3.47Å; P83-G294 PolarHBondContact O-N 2.64Å |
| 84 | S | 66.6 | Low | 66 | Low | 110 Ų | 110 | 88 Ų | 88 | 77% | 0.769 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 141.1 | 171.1 | -67.5 | 0 | 0 | 0 | 0 | 109.3 | G82 | G82-S84 PolarHBondContact O-N 3.01Š|
| 85 | G | 64.4 | Low | 66.8 | Low | 28 Ų | 28 | 86.3 Ų | 86.3 | 29% | 0.289 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 153.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | P83 G294 | P83-G85 PolarHBondContact O-N 3.47Å; G85-G294 WeakPolarHBondContact CA-O 3.26Å |
| 86 | E | 69.9 | Low | 67.4 | Low | 138 Ų | 138 | 86.7 Ų | 86.7 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 139.8 | 176 | -66.2 | -176.6 | 162.3 | 0 | 0 | 110.1 | G297 | E86-G297 PolarHBondContact O-N 3.34Å; E86-G297 VanDerWaalsContact O-N 3.1Å |
| 87 | P | 71 | Confident | 68 | Low | 116 Ų | 116 | 84.9 Ų | 84.9 | 75% | 0.753 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 144.5 | 169.3 | -24.8 | 34.1 | 0 | 0 | 0 | 110.8 | ||
| 88 | G | 68.3 | Low | 68.5 | Low | 26 Ų | 26 | 84.8 Ų | 84.8 | 27% | 0.268 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 150.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G297 D298 | G88-G297 WeakPolarHBondContact CA-O 3.33Å; G88-D298 WeakPolarHBondContact CA-O 3.43Å |
| 89 | G | 74.3 | Confident | 68.8 | Low | 31 Ų | 31 | 85 Ų | 85 | 32% | 0.32 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 154.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G300 | G89-G300 PolarHBondContact O-N 2.68Š|
| 90 | P | 73.7 | Confident | 69.1 | Low | 123 Ų | 123 | 84.5 Ų | 84.5 | 80% | 0.799 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 144 | 170.6 | -22.8 | 32.6 | 0 | 0 | 0 | 111.1 | ||
| 91 | G | 69.8 | Low | 69.4 | Low | 28 Ų | 28 | 84 Ų | 84 | 29% | 0.289 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -63 | 154.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G300 | G91-G300 WeakPolarHBondContact CA-O 3.41Š|
| 92 | S | 71.1 | Confident | 69.5 | Low | 66 Ų | 66 | 78.5 Ų | 78.5 | 46% | 0.462 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 147.9 | 175.5 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | P302 G303 | S92-P302 WeakPolarHBondContact O-CA 3.35Å; S92-G303 PolarHBondContact O-N 2.98Å |
| 93 | A | 71.6 | Confident | 69.4 | Low | 84 Ų | 84 | 79.2 Ų | 79.2 | 69% | 0.694 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 141.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 94 | G | 69.9 | Low | 69.1 | Low | 27 Ų | 27 | 79.1 Ų | 79.1 | 28% | 0.278 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -63 | 154 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G303 | G94-G303 VanDerWaalsContact CA-O 3.23Å; G94-G303 WeakPolarHBondContact CA-O 3.49Å |
| 95 | I | 72.1 | Confident | 68.4 | Low | 136 Ų | 136 | 78.3 Ų | 78.3 | 70% | 0.697 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 134.8 | 177.3 | -55 | 171.8 | 0 | 0 | 0 | 108.5 | G306 | I95-G306 PolarHBondContact O-N 3.1Š|
| 96 | P | 72.6 | Confident | 67.7 | Low | 102 Ų | 102 | 78.2 Ų | 78.2 | 66% | 0.662 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 141 | 173.2 | -26.7 | 34.8 | 0 | 0 | 0 | 111.7 | ||
| 97 | G | 71 | Confident | 66.6 | Low | 25 Ų | 25 | 75.9 Ų | 75.9 | 26% | 0.258 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 153.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G306 | G97-G306 VanDerWaalsContact CA-O 3.27Å; G97-G306 WeakPolarHBondContact CA-O 3.45Å |
| 98 | P | 71.2 | Confident | 65.4 | Low | 82 Ų | 82 | 74.8 Ų | 74.8 | 53% | 0.532 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 150.3 | 174.1 | 26.5 | -33.8 | 0 | 0 | 0 | 110.7 | G100 P308 G309 | P98-G100 PolarHBondContact O-N 3.48Å; P98-P308 HydrophobicContact CG-CB 4.47Å; P98-G309 PolarHBondContact O-N 3.46Å |
| 99 | P | 72.1 | Confident | 64.4 | Low | 126 Ų | 126 | 77 Ų | 77 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 141.2 | 171.2 | -25.2 | 34 | 0 | 0 | 0 | 111.1 | ||
| 100 | G | 67.9 | Low | 63.2 | Low | 28 Ų | 28 | 79.6 Ų | 79.6 | 29% | 0.289 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 148.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P98 G309 | P98-G100 PolarHBondContact O-N 3.48Å; G100-G309 VanDerWaalsContact CA-O 3.32Å; G100-G309 WeakPolarHBondContact CA-O 3.32Å |
| 101 | E | 68.8 | Low | 62.7 | Low | 144 Ų | 144 | 81.1 Ų | 81.1 | 67% | 0.673 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 143 | 174.3 | -67.8 | -172.7 | 163 | 0 | 0 | 110.3 | G103 | E101-G103 PolarHBondContact O-N 2.98Š|
| 102 | P | 65.7 | Low | 62.7 | Low | 118 Ų | 118 | 86.3 Ų | 86.3 | 77% | 0.766 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 138 | 171 | -26.1 | 34.2 | 0 | 0 | 0 | 110.6 | ||
| 103 | G | 60.2 | Low | 63.1 | Low | 30 Ų | 30 | 89.3 Ų | 89.3 | 31% | 0.309 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -54 | 144.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | E101 A105 G312 | E101-G103 PolarHBondContact O-N 2.98Å; G103-A105 PolarHBondContact O-N 3.4Å; G103-A105 VanDerWaalsContact O-N 3.16Å; G103-G312 WeakPolarHBondContact CA-O 3.33Å |
| 104 | E | 58.9 | Low | 63.7 | Low | 94 Ų | 94 | 86.5 Ų | 86.5 | 44% | 0.439 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 127.5 | 172.8 | -83.4 | 167 | -149.6 | 0 | 0 | 108.6 | G106 K311 K314 G315 | E104-G106 PolarHBondContact O-N 3.46Å; E104-K311 IonicContact OE1-NZ 2.78Å; E104-K311 PolarHBondContact OE1-NZ 2.67Å; E104-K314 HydrophobicContact CB-CG 4.44Å; E104-K314 IonicContact OE2-NZ 3.78Å; E104-K314 PolarHBondContact OE2-NZ 3.48Å; E104-G315 PolarHBondContact O-N 2.85Å |
| 105 | A | 52.1 | Low | 64.5 | Low | 92 Ų | 92 | 87.6 Ų | 87.6 | 76% | 0.76 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -49 | 120.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | G103 S107 | G103-A105 PolarHBondContact O-N 3.4Å; G103-A105 VanDerWaalsContact O-N 3.16Å; A105-S107 PolarHBondContact O-N 3Å; A105-S107 VanDerWaalsContact O-N 3.1Å |
| 106 | G | 50.1 | Low | 65.4 | Low | 26 Ų | 26 | 84 Ų | 84 | 27% | 0.268 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -48.4 | 128.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | E104 A108 | E104-G106 PolarHBondContact O-N 3.46Å; G106-A108 PolarHBondContact O-N 3.31Å |
| 107 | S | 46.4 | Very low | 66.4 | Low | 89 Ų | 89 | 81.8 Ų | 81.8 | 62% | 0.622 | 53% | 0.525 | S | S | * | . | trans | -47.8 | 112.9 | -178.5 | 54.4 | 0 | 0 | 0 | 0 | 105.7 | A105 A109 | A105-S107 PolarHBondContact O-N 3Å; A105-S107 VanDerWaalsContact O-N 3.1Å; S107-A109 PolarHBondContact O-N 3.37Å | ||
| 108 | A | 46.7 | Very low | 67.4 | Low | 93 Ų | 93 | 81.7 Ų | 81.7 | 77% | 0.769 | 52% | 0.519 | S | S | * | . | trans | -57.3 | 97.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 102.1 | G106 A110 | G106-A108 PolarHBondContact O-N 3.31Å; A108-A110 VanDerWaalsContact C-N 3.27Å; A108-A110 PolarHBondContact O-N 3.41Å | ||
| 109 | A | 46.7 | Very low | 68.4 | Low | 73 Ų | 73 | 79.3 Ų | 79.3 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | trans | -51 | 110.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 101.9 | S107 Q111 | S107-A109 PolarHBondContact O-N 3.37Å; A109-Q111 VanDerWaalsContact C-N 3.34Å; A109-Q111 WeakPolarHBondContact O-CA 3.21Å; A109-Q111 PolarHBondContact O-N 3.43Å | ||
| 110 | A | 49.7 | Very low | 69.2 | Low | 86 Ų | 86 | 77.1 Ų | 77.1 | 71% | 0.711 | 48% | 0.482 | S | S | * | . | trans | -43.2 | 107.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | A108 Q112 | A108-A110 VanDerWaalsContact C-N 3.27Å; A108-A110 PolarHBondContact O-N 3.41Å; A110-Q112 WeakPolarHBondContact O-CA 3.11Å; A110-Q112 WeakPolarHBondContact O-CG 3.44Å; A110-Q112 PolarHBondContact O-N 3.31Å | ||
| 111 | Q | 62.3 | Low | 70 | Confident | 154 Ų | 154 | 78.4 Ų | 78.4 | 72% | 0.72 | 50% | 0.495 | S | S | * | . | trans | -59.2 | 106.9 | -155.2 | -157.4 | 173.4 | 18.8 | 0 | 0 | 105.3 | A109 K113 | A109-Q111 VanDerWaalsContact C-N 3.34Å; A109-Q111 WeakPolarHBondContact O-CA 3.21Å; A109-Q111 PolarHBondContact O-N 3.43Å; Q111-K113 WeakPolarHBondContact O-CG 3.23Å; Q111-K113 PolarHBondContact O-N 3.48Å | ||
| 112 | Q | 70.1 | Confident | 70.7 | Confident | 138 Ų | 138 | 74.6 Ų | 74.6 | 65% | 0.645 | 48% | 0.482 | S | S | * | . | trans | -67.1 | 104 | -168.5 | -70.7 | -174.6 | 2.1 | 0 | 0 | 106 | A110 V156 | A110-Q112 WeakPolarHBondContact O-CA 3.11Å; A110-Q112 WeakPolarHBondContact O-CG 3.44Å; A110-Q112 PolarHBondContact O-N 3.31Å; Q112-V156 HydrophobicContact CB-CB 4.43Å; Q112-V156 HydrophobicContact CB-CG1 3.81Å; Q112-V156 HydrophobicContact CB-CG2 3.74Å | ||
| 113 | K | 79.8 | Confident | 71.5 | Confident | 128 Ų | 128 | 74.1 Ų | 74.1 | 56% | 0.557 | 48% | 0.481 | S | S | * | . | trans | -100.8 | 141.1 | -175.4 | -75.2 | 167 | -169.6 | -176.9 | 0 | 108.7 | Q111 I141 R155 | Q111-K113 WeakPolarHBondContact O-CG 3.23Å; Q111-K113 PolarHBondContact O-N 3.48Å; K113-I141 HydrophobicContact CB-CG2 4.3Å; K113-R155 PolarHBondContact O-NH2 3.08Å | ||
| 114 | A | 82.9 | Confident | 72.7 | Confident | 26 Ų | 26 | 77.4 Ų | 77.4 | 22% | 0.215 | 50% | 0.495 | C | S | . | . | trans | -143.9 | 115.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | D144 Y160 | A114-D144 VanDerWaalsContact CB-OD2 3.32Å; A114-D144 WeakPolarHBondContact CB-OD2 3.27Å; A114-Y160 HydrophobicContact CB-CE1 3.64Å | ||
| 115 | A | 87.5 | Confident | 73.9 | Confident | 50 Ų | 50 | 79.3 Ų | 79.3 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | trans | -156.2 | 142.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | I141 | A115-I141 HydrophobicContact CB-CD1 3.87Å; A115-I141 HydrophobicContact CB-CG1 4.46Å; A115-I141 WeakPolarHBondContact O-CB 3.4Å; A115-I141 PolarHBondContact O-N 3.2Å | ||
| 116 | F | 91.1 | Very high | 75.5 | Confident | 60 Ų | 60 | 77.1 Ų | 77.1 | 26% | 0.263 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 153.6 | 175.3 | 68.8 | -84.2 | 0 | 0 | 0 | 110.8 | V118 T139 N140 F145 F152 F162 | F116-V118 HydrophobicContact CD2-CG1 4.2Å; F116-V118 HydrophobicContact CD2-CG2 4Å; F116-V118 HydrophobicContact CE2-CG2 4.14Å; F116-T139 CarbonylContact C-O 3.52Å; F116-T139 WeakPolarHBondContact CA-O 3.44Å; F116-N140 HydrophobicContact CB-CB 4.47Å; F116-F145 HydrophobicContact CB-CB 4.04Å; F116-F145 HydrophobicContact CD1-CB 4.24Å; F116-F145 HydrophobicContact CD2-CB 3.89Å; F116-F145 AromaticContact CD2-CD2 3.64Å; F116-F145 HydrophobicContact CD2-CD2 3.64Å; F116-F145 HydrophobicContact CD2-CE2 4.4Å; F116-F145 AromaticContact CD2-CG 3.85Å; F116-F145 HydrophobicContact CD2-CG 3.85Å; F116-F145 HydrophobicContact CE1-CD2 4.29Å; F116-F145 HydrophobicContact CE2-CB 4.44Å; F116-F145 AromaticContact CE2-CD2 3.35Å; F116-F145 HydrophobicContact CE2-CD2 3.35Å; F116-F145 AromaticContact CE2-CE2 3.81Å; F116-F145 HydrophobicContact CE2-CE2 3.81Å; F116-F145 HydrophobicContact CE2-CG 4.05Å; F116-F145 HydrophobicContact CG-CB 3.78Å; F116-F145 HydrophobicContact CG-CD2 4.23Å; F116-F145 HydrophobicContact CG-CG 4.26Å; F116-F145 AromaticContact CZ-CD2 3.71Å; F116-F145 HydrophobicContact CZ-CD2 3.71Å; F116-F145 HydrophobicContact CZ-CE2 4.25Å; F116-F152 AromaticContact CD1-CD2 3.6Å; F116-F152 HydrophobicContact CD1-CD2 3.6Å; F116-F152 AromaticContact CD1-CE2 3.88Å; F116-F152 HydrophobicContact CD1-CE2 3.88Å; F116-F152 HydrophobicContact CE1-CB 4.25Å; F116-F152 AromaticContact CE1-CD2 3.33Å; F116-F152 HydrophobicContact CE1-CD2 3.33Å; F116-F152 AromaticContact CE1-CE2 3.84Å; F116-F152 HydrophobicContact CE1-CE2 3.84Å; F116-F152 AromaticContact CE1-CG 3.92Å; F116-F152 HydrophobicContact CE1-CG 3.92Å; F116-F152 HydrophobicContact CZ-CB 4.39Å; F116-F152 HydrophobicContact CZ-CD2 4.24Å; F116-F162 HydrophobicContact CE1-CD1 4.08Å; F116-F162 AromaticContact CE1-CE1 3.63Å; F116-F162 HydrophobicContact CE1-CE1 3.63Å; F116-F162 AromaticContact CZ-CD1 3.83Å; F116-F162 HydrophobicContact CZ-CD1 3.83Å; F116-F162 AromaticContact CZ-CE1 3.73Å; F116-F162 HydrophobicContact CZ-CE1 3.73Å |
| 117 | S | 93.4 | Very high | 77.2 | Confident | 55 Ų | 55 | 79.2 Ų | 79.2 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 119.8 | 167.5 | -174.7 | 0 | 0 | 0 | 0 | 107.1 | I138 T139 | S117-I138 WeakPolarHBondContact O-CA 3.22Å; S117-I138 WeakPolarHBondContact O-CB 3.47Å; S117-I138 PolarHBondContact O-N 3.29Å; S117-T139 PolarHBondContact N-O 2.82Å; S117-T139 PolarHBondContact O-N 3.49Å; S117-T139 VanDerWaalsContact O-O 3.07Å |
| 118 | V | 92.3 | Very high | 79 | Confident | 24 Ų | 24 | 84.6 Ų | 84.6 | 15% | 0.145 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 145.2 | -175.5 | -65.6 | 0 | 0 | 0 | 0 | 109.4 | F116 F134 K136 V137 F145 | F116-V118 HydrophobicContact CD2-CG1 4.2Å; F116-V118 HydrophobicContact CD2-CG2 4Å; F116-V118 HydrophobicContact CE2-CG2 4.14Å; V118-F134 HydrophobicContact CB-CB 3.75Å; V118-F134 HydrophobicContact CB-CG 4.46Å; V118-F134 HydrophobicContact CG2-CB 3.46Å; V118-F134 VanDerWaalsContact CG2-CB 3.46Å; V118-F134 HydrophobicContact CG2-CD1 4.21Å; V118-F134 HydrophobicContact CG2-CD2 4.25Å; V118-F134 HydrophobicContact CG2-CG 3.74Å; V118-K136 CarbonylContact C-O 3.55Å; V118-K136 WeakPolarHBondContact CA-O 3.5Å; V118-V137 HydrophobicContact CG1-CG2 4.42Å; V118-F145 HydrophobicContact CB-CD1 4.47Å; V118-F145 HydrophobicContact CB-CE1 4.4Å; V118-F145 HydrophobicContact CG1-CD1 3.78Å; V118-F145 HydrophobicContact CG1-CE1 4.18Å; V118-F145 HydrophobicContact CG1-CG 4.24Å; V118-F145 HydrophobicContact CG2-CD1 4.16Å; V118-F145 HydrophobicContact CG2-CE1 3.86Å; V118-F145 HydrophobicContact CG2-CE2 4.26Å; V118-F145 HydrophobicContact CG2-CG 4.5Å; V118-F145 HydrophobicContact CG2-CZ 3.92Å |
| 119 | A | 91.9 | Very high | 80.8 | Confident | 32 Ų | 32 | 86.1 Ų | 86.1 | 26% | 0.264 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 158.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110 | F134 T135 K136 I138 | A119-F134 CarbonylContact O-C 3.56Å; A119-T135 PolarHBondContact O-N 3Å; A119-K136 HydrophobicContact CB-CB 4.24Å; A119-K136 PolarHBondContact N-O 2.82Å; A119-K136 WeakPolarHBondContact O-CB 3.3Å; A119-K136 PolarHBondContact O-N 3.08Å; A119-I138 HydrophobicContact CB-CD1 4.15Å |
| 120 | R | 88.7 | Confident | 82.8 | Confident | 79 Ų | 79 | 85.3 Ų | 85.3 | 30% | 0.298 | 50% | 0.502 | S | S | . | . | trans | -90.8 | 115.1 | 176 | -166.8 | 166.6 | -171.1 | -81.2 | -1.1 | 109.4 | T122 V124 F134 | R120-T122 VanDerWaalsContact C-N 3.31Å; R120-T122 HydrophobicContact CG-CG2 4.28Å; R120-T122 VanDerWaalsContact CZ-CG2 3.42Å; R120-T122 VanDerWaalsContact NH1-CG2 3.3Å; R120-T122 PolarHBondContact NH1-O 3.41Å; R120-T122 PolarHBondContact O-N 3.22Å; R120-V124 PolarHBondContact NH1-O 3.31Å; R120-V124 PolarHBondContact NH2-O 3.4Å; R120-F134 HydrophobicContact CB-CD1 4.21Å | ||
| 121 | G | 84.9 | Confident | 84.7 | Confident | 55 Ų | 55 | 84.7 Ų | 84.7 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | trans | -87.8 | 15.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T135 | G121-T135 PolarHBondContact N-OG1 3.27Š| ||
| 122 | T | 84.6 | Confident | 86 | Confident | 64 Ų | 64 | 79.3 Ų | 79.3 | 39% | 0.393 | 47% | 0.465 | S | S | . | . | trans | -136.7 | 147.6 | -178.2 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | R120 V124 | R120-T122 VanDerWaalsContact C-N 3.31Å; R120-T122 HydrophobicContact CG-CG2 4.28Å; R120-T122 VanDerWaalsContact CZ-CG2 3.42Å; R120-T122 VanDerWaalsContact NH1-CG2 3.3Å; R120-T122 PolarHBondContact NH1-O 3.41Å; R120-T122 PolarHBondContact O-N 3.22Å; T122-V124 PolarHBondContact OG1-N 3.49Å | ||
| 123 | S | 81.8 | Confident | 87 | Confident | 109 Ų | 109 | 79.6 Ų | 79.6 | 76% | 0.762 | 46% | 0.461 | S | S | * | . | trans | -86.7 | -15.1 | 175 | 53 | 0 | 0 | 0 | 0 | 113.1 | F125 | S123-F125 PolarHBondContact O-N 3.32Š| ||
| 124 | V | 85.8 | Confident | 87.5 | Confident | 99 Ų | 99 | 76.1 Ų | 76.1 | 60% | 0.6 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -67.7 | 125 | 179.1 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | R120 T122 | R120-V124 PolarHBondContact NH1-O 3.31Å; R120-V124 PolarHBondContact NH2-O 3.4Å; T122-V124 PolarHBondContact OG1-N 3.49Å |
| 125 | F | 83.1 | Confident | 88 | Confident | 134 Ų | 134 | 78.8 Ų | 78.8 | 59% | 0.588 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 144.6 | -179 | -63.6 | -78.9 | 0 | 0 | 0 | 112.6 | S123 | S123-F125 PolarHBondContact O-N 3.32Š|
| 126 | P | 85.9 | Confident | 88.2 | Confident | 45 Ų | 45 | 82.7 Ų | 82.7 | 29% | 0.292 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 147.8 | 169.9 | -19.8 | 31.4 | 0 | 0 | 0 | 111.6 | I132 | P126-I132 HydrophobicContact CG-CG1 4.28Å; P126-I132 HydrophobicContact CG-CG2 4.29Å |
| 127 | A | 86.4 | Confident | 88.4 | Confident | 71 Ų | 71 | 83.1 Ų | 83.1 | 59% | 0.587 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 148.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S129 S130 | A127-S129 PolarHBondContact O-N 3.2Å; A127-S130 PolarHBondContact N-OG 2.78Å; A127-S130 WeakPolarHBondContact O-CB 3.32Å; A127-S130 PolarHBondContact O-N 2.8Å; A127-S130 VanDerWaalsContact O-N 3.16Å; A127-S130 PolarHBondContact O-OG 3.08Å |
| 128 | K | 83.9 | Confident | 88.4 | Confident | 201 Ų | 201 | 85.6 Ų | 85.6 | 87% | 0.874 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 134.8 | 179.4 | -171.5 | 178.9 | 178.8 | -175.7 | 0 | 110.3 | S130 | K128-S130 PolarHBondContact O-N 2.83Š|
| 129 | S | 84.4 | Confident | 88.4 | Confident | 126 Ų | 126 | 87.8 Ų | 87.8 | 88% | 0.881 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 19.1 | -179.3 | -52.8 | 0 | 0 | 0 | 0 | 115.3 | A127 | A127-S129 PolarHBondContact O-N 3.2Š|
| 130 | S | 89.5 | Confident | 88.3 | Confident | 55 Ų | 55 | 87.5 Ų | 87.5 | 39% | 0.385 | 49% | 0.49 | S | S | . | . | trans | -97.6 | 159.8 | 176.3 | 72.4 | 0 | 0 | 0 | 0 | 112.8 | A127 K128 I132 | A127-S130 PolarHBondContact N-OG 2.78Å; A127-S130 WeakPolarHBondContact O-CB 3.32Å; A127-S130 PolarHBondContact O-N 2.8Å; A127-S130 VanDerWaalsContact O-N 3.16Å; A127-S130 PolarHBondContact O-OG 3.08Å; K128-S130 PolarHBondContact O-N 2.83Å; S130-I132 PolarHBondContact O-N 3.29Å | ||
| 131 | T | 88.3 | Confident | 88.3 | Confident | 73 Ų | 73 | 86.6 Ų | 86.6 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | trans | -65.3 | 129 | 171.8 | -57 | 0 | 0 | 0 | 0 | 110.5 | R133 T149 | T131-R133 PolarHBondContact O-N 3.29Å; T131-T149 WeakPolarHBondContact CG2-O 3.29Å | ||
| 132 | I | 89.6 | Confident | 88.5 | Confident | 41 Ų | 41 | 90.1 Ų | 90.1 | 21% | 0.21 | 49% | 0.492 | C | S | . | . | trans | -75.6 | 113.6 | 176.6 | -56.4 | 176.5 | 0 | 0 | 0 | 108.5 | P126 S130 F134 V174 | P126-I132 HydrophobicContact CG-CG1 4.28Å; P126-I132 HydrophobicContact CG-CG2 4.29Å; S130-I132 PolarHBondContact O-N 3.29Å; I132-F134 HydrophobicContact CB-CE2 4.17Å; I132-F134 HydrophobicContact CB-CZ 4.5Å; I132-F134 HydrophobicContact CG2-CD2 4.4Å; I132-F134 HydrophobicContact CG2-CE1 4.41Å; I132-F134 HydrophobicContact CG2-CE2 3.79Å; I132-F134 HydrophobicContact CG2-CZ 3.79Å; I132-F134 WeakPolarHBondContact O-CD2 3.26Å; I132-V174 HydrophobicContact CD1-CG1 4.01Å; I132-V174 HydrophobicContact CD1-CG2 4.08Å | ||
| 133 | R | 90.5 | Very high | 88.9 | Confident | 145 Ų | 145 | 93.3 Ų | 93.3 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | trans | -86.2 | 131.4 | 175.2 | -66.4 | -177.8 | 174.2 | -163.2 | -9.7 | 111.3 | T131 E148 | T131-R133 PolarHBondContact O-N 3.29Å; R133-E148 WeakPolarHBondContact CD-O 3.46Å; R133-E148 PolarHBondContact NE-O 3.4Å; R133-E148 PolarHBondContact NH1-O 2.92Å; R133-E148 PolarHBondContact NH2-O 3.13Å; R133-E148 VanDerWaalsContact NH2-O 3.11Å | ||
| 134 | F | 91.1 | Very high | 89.1 | Confident | 55 Ų | 55 | 88.6 Ų | 88.6 | 24% | 0.241 | 47% | 0.473 | C | S | . | . | trans | -109.9 | 107.5 | 173.5 | -61.3 | -93.3 | 0 | 0 | 0 | 108.3 | V118 A119 R120 I132 F145 T147 | V118-F134 HydrophobicContact CB-CB 3.75Å; V118-F134 HydrophobicContact CB-CG 4.46Å; V118-F134 HydrophobicContact CG2-CB 3.46Å; V118-F134 VanDerWaalsContact CG2-CB 3.46Å; V118-F134 HydrophobicContact CG2-CD1 4.21Å; V118-F134 HydrophobicContact CG2-CD2 4.25Å; V118-F134 HydrophobicContact CG2-CG 3.74Å; A119-F134 CarbonylContact O-C 3.56Å; R120-F134 HydrophobicContact CB-CD1 4.21Å; I132-F134 HydrophobicContact CB-CE2 4.17Å; I132-F134 HydrophobicContact CB-CZ 4.5Å; I132-F134 HydrophobicContact CG2-CD2 4.4Å; I132-F134 HydrophobicContact CG2-CE1 4.41Å; I132-F134 HydrophobicContact CG2-CE2 3.79Å; I132-F134 HydrophobicContact CG2-CZ 3.79Å; I132-F134 WeakPolarHBondContact O-CD2 3.26Å; F134-F145 HydrophobicContact CB-CE1 4.16Å; F134-F145 HydrophobicContact CB-CZ 4.29Å; F134-F145 AromaticContact CD2-CZ 3.93Å; F134-F145 HydrophobicContact CD2-CZ 3.93Å; F134-T147 WeakPolarHBondContact O-CB 3.26Å; F134-T147 WeakPolarHBondContact O-CG2 3.47Å | ||
| 135 | T | 92.6 | Very high | 89.4 | Confident | 82 Ų | 82 | 84.5 Ų | 84.5 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | trans | -94.6 | -17 | -170 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | A119 G121 | A119-T135 PolarHBondContact O-N 3Å; G121-T135 PolarHBondContact N-OG1 3.27Å | ||
| 136 | K | 93 | Very high | 89.8 | Confident | 131 Ų | 131 | 81.4 Ų | 81.4 | 57% | 0.57 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 114.6 | -178.7 | -176.2 | 176.8 | -179.3 | 179.2 | 0 | 109.5 | V118 A119 | V118-K136 CarbonylContact C-O 3.55Å; V118-K136 WeakPolarHBondContact CA-O 3.5Å; A119-K136 HydrophobicContact CB-CB 4.24Å; A119-K136 PolarHBondContact N-O 2.82Å; A119-K136 WeakPolarHBondContact O-CB 3.3Å; A119-K136 PolarHBondContact O-N 3.08Å |
| 137 | V | 94.3 | Very high | 90.1 | Very high | 69 Ų | 69 | 81.3 Ų | 81.3 | 42% | 0.418 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 130.9 | 174.6 | -179 | 0 | 0 | 0 | 0 | 109.7 | V118 N140 T147 | V118-V137 HydrophobicContact CG1-CG2 4.42Å; V137-N140 HydrophobicContact CG1-CB 3.64Å; V137-T147 HydrophobicContact CG2-CG2 3.53Å |
| 138 | I | 92.9 | Very high | 90.3 | Very high | 107 Ų | 107 | 84.7 Ų | 84.7 | 55% | 0.549 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -45.9 | 166.2 | -58.6 | 166.9 | 0 | 0 | 0 | 108.5 | S117 A119 | S117-I138 WeakPolarHBondContact O-CA 3.22Å; S117-I138 WeakPolarHBondContact O-CB 3.47Å; S117-I138 PolarHBondContact O-N 3.29Å; A119-I138 HydrophobicContact CB-CD1 4.15Å |
| 139 | T | 92.4 | Very high | 90.6 | Very high | 71 Ų | 71 | 77.7 Ų | 77.7 | 44% | 0.436 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 142.1 | 173.4 | -55.7 | 0 | 0 | 0 | 0 | 108.8 | F116 S117 I141 | F116-T139 CarbonylContact C-O 3.52Å; F116-T139 WeakPolarHBondContact CA-O 3.44Å; S117-T139 PolarHBondContact N-O 2.82Å; S117-T139 PolarHBondContact O-N 3.49Å; S117-T139 VanDerWaalsContact O-O 3.07Å; T139-I141 HydrophobicContact CG2-CG1 4.27Å |
| 140 | N | 91.4 | Very high | 90.8 | Very high | 25 Ų | 25 | 72.2 Ų | 72.2 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 86 | 176.5 | -168.4 | 16.7 | 0 | 0 | 0 | 109.8 | F116 V137 E142 N143 D144 F145 | F116-N140 HydrophobicContact CB-CB 4.47Å; V137-N140 HydrophobicContact CG1-CB 3.64Å; N140-E142 PolarHBondContact O-N 3.37Å; N140-N143 PolarHBondContact O-N 3.4Å; N140-D144 PolarHBondContact OD1-N 3.09Å; N140-F145 PolarHBondContact ND2-O 2.79Å; N140-F145 PolarHBondContact OD1-N 2.9Å |
| 141 | I | 88.9 | Confident | 90.6 | Very high | 60 Ų | 60 | 74.2 Ų | 74.2 | 31% | 0.308 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -65.8 | 129 | -177.4 | -61.8 | -178.9 | 0 | 0 | 0 | 108.8 | K113 A115 T139 N143 D144 | K113-I141 HydrophobicContact CB-CG2 4.3Å; A115-I141 HydrophobicContact CB-CD1 3.87Å; A115-I141 HydrophobicContact CB-CG1 4.46Å; A115-I141 WeakPolarHBondContact O-CB 3.4Å; A115-I141 PolarHBondContact O-N 3.2Å; T139-I141 HydrophobicContact CG2-CG1 4.27Å; I141-N143 PolarHBondContact O-N 3.42Å; I141-D144 PolarHBondContact O-N 3.47Å |
| 142 | E | 88.8 | Confident | 90.6 | Very high | 129 Ų | 129 | 73 Ų | 73 | 60% | 0.603 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | 56.3 | 17.7 | 179.8 | -58.5 | -62.5 | 140.2 | 0 | 0 | 114.7 | N140 D144 R155 | N140-E142 PolarHBondContact O-N 3.37Å; E142-D144 PolarHBondContact O-N 3.38Å; E142-R155 VanDerWaalsContact CG-NH2 3.31Å |
| 143 | N | 92.1 | Very high | 90.4 | Very high | 131 Ų | 131 | 80.4 Ų | 80.4 | 70% | 0.701 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | 54.3 | 33.2 | -179.2 | -60.7 | -56.2 | 0 | 0 | 0 | 114.7 | N140 I141 F145 | N140-N143 PolarHBondContact O-N 3.4Å; I141-N143 PolarHBondContact O-N 3.42Å; N143-F145 PolarHBondContact O-N 3.37Å |
| 144 | D | 87.1 | Confident | 89.9 | Confident | 10 Ų | 10 | 77 Ų | 77 | 5% | 0.053 | 39% | 0.391 | C | S | . | . | trans | -66.8 | -20.8 | -179 | -68.4 | -34.6 | 0 | 0 | 0 | 112.3 | A114 N140 I141 E142 F152 R153 R155 | A114-D144 VanDerWaalsContact CB-OD2 3.32Å; A114-D144 WeakPolarHBondContact CB-OD2 3.27Å; N140-D144 PolarHBondContact OD1-N 3.09Å; I141-D144 PolarHBondContact O-N 3.47Å; E142-D144 PolarHBondContact O-N 3.38Å; D144-F152 HydrophobicContact CB-CD2 4.14Å; D144-F152 HydrophobicContact CB-CE2 3.6Å; D144-F152 HydrophobicContact CB-CZ 4.36Å; D144-R153 PolarHBondContact O-N 3.29Å; D144-R155 WeakPolarHBondContact OD1-CB 3.32Å; D144-R155 IonicContact OD1-CZ 3.89Å; D144-R155 IonicContact OD1-NE 3.93Å; D144-R155 PolarHBondContact OD1-NE 3.06Å; D144-R155 IonicContact OD1-NH2 2.77Å; D144-R155 IonicContact OD2-CZ 2.85Å; D144-R155 IonicContact OD2-NE 3.77Å; D144-R155 IonicContact OD2-NH2 3.05Å; D144-R155 PolarHBondContact OD2-NH2 2.84Å; D144-R155 VanDerWaalsContact OD2-NH2 3.11Å | ||
| 145 | F | 90.2 | Very high | 89.5 | Confident | 14 Ų | 14 | 79.5 Ų | 79.5 | 6% | 0.061 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123 | 169.3 | -168.5 | -86.1 | 0 | 0 | 0 | 112.1 | F116 V118 F134 N140 N143 T147 F152 | F116-F145 HydrophobicContact CB-CB 4.04Å; F116-F145 HydrophobicContact CD1-CB 4.24Å; F116-F145 HydrophobicContact CD2-CB 3.89Å; F116-F145 AromaticContact CD2-CD2 3.64Å; F116-F145 HydrophobicContact CD2-CD2 3.64Å; F116-F145 HydrophobicContact CD2-CE2 4.4Å; F116-F145 AromaticContact CD2-CG 3.85Å; F116-F145 HydrophobicContact CD2-CG 3.85Å; F116-F145 HydrophobicContact CE1-CD2 4.29Å; F116-F145 HydrophobicContact CE2-CB 4.44Å; F116-F145 AromaticContact CE2-CD2 3.35Å; F116-F145 HydrophobicContact CE2-CD2 3.35Å; F116-F145 AromaticContact CE2-CE2 3.81Å; F116-F145 HydrophobicContact CE2-CE2 3.81Å; F116-F145 HydrophobicContact CE2-CG 4.05Å; F116-F145 HydrophobicContact CG-CB 3.78Å; F116-F145 HydrophobicContact CG-CD2 4.23Å; F116-F145 HydrophobicContact CG-CG 4.26Å; F116-F145 AromaticContact CZ-CD2 3.71Å; F116-F145 HydrophobicContact CZ-CD2 3.71Å; F116-F145 HydrophobicContact CZ-CE2 4.25Å; V118-F145 HydrophobicContact CB-CD1 4.47Å; V118-F145 HydrophobicContact CB-CE1 4.4Å; V118-F145 HydrophobicContact CG1-CD1 3.78Å; V118-F145 HydrophobicContact CG1-CE1 4.18Å; V118-F145 HydrophobicContact CG1-CG 4.24Å; V118-F145 HydrophobicContact CG2-CD1 4.16Å; V118-F145 HydrophobicContact CG2-CE1 3.86Å; V118-F145 HydrophobicContact CG2-CE2 4.26Å; V118-F145 HydrophobicContact CG2-CG 4.5Å; V118-F145 HydrophobicContact CG2-CZ 3.92Å; F134-F145 HydrophobicContact CB-CE1 4.16Å; F134-F145 HydrophobicContact CB-CZ 4.29Å; F134-F145 AromaticContact CD2-CZ 3.93Å; F134-F145 HydrophobicContact CD2-CZ 3.93Å; N140-F145 PolarHBondContact ND2-O 2.79Å; N140-F145 PolarHBondContact OD1-N 2.9Å; N143-F145 PolarHBondContact O-N 3.37Å; F145-T147 HydrophobicContact CD1-CG2 4.21Å; F145-T147 HydrophobicContact CE1-CG2 4.46Å; F145-F152 HydrophobicContact CD2-CB 4.04Å |
| 146 | N | 91.4 | Very high | 88.6 | Confident | 69 Ų | 69 | 76.5 Ų | 76.5 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 112 | 176 | -176.9 | -40.3 | 0 | 0 | 0 | 110.7 | E148 T149 G150 H151 | N146-E148 VanDerWaalsContact C-N 3.34Å; N146-E148 PolarHBondContact O-N 3.07Å; N146-E148 WeakPolarHBondContact OD1-CA 2.83Å; N146-E148 WeakPolarHBondContact OD1-CB 3.3Å; N146-E148 PolarHBondContact OD1-N 3.07Å; N146-T149 WeakPolarHBondContact CB-OG1 3.32Å; N146-T149 PolarHBondContact OD1-N 2.9Å; N146-G150 WeakPolarHBondContact O-CA 3.44Å; N146-G150 PolarHBondContact O-N 3.33Å; N146-H151 PolarHBondContact N-O 3.49Å; N146-H151 PolarHBondContact O-N 2.83Å |
| 147 | T | 92.8 | Very high | 87.5 | Confident | 42 Ų | 42 | 74.8 Ų | 74.8 | 26% | 0.258 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -24.4 | -178.5 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | F134 V137 F145 | F134-T147 WeakPolarHBondContact O-CB 3.26Å; F134-T147 WeakPolarHBondContact O-CG2 3.47Å; V137-T147 HydrophobicContact CG2-CG2 3.53Å; F145-T147 HydrophobicContact CD1-CG2 4.21Å; F145-T147 HydrophobicContact CE1-CG2 4.46Å |
| 148 | E | 91.8 | Very high | 86.5 | Confident | 143 Ų | 143 | 73 Ų | 73 | 67% | 0.668 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -41.9 | 177.6 | -58.1 | -178.1 | 169.6 | 0 | 0 | 110.6 | R133 N146 | R133-E148 WeakPolarHBondContact CD-O 3.46Å; R133-E148 PolarHBondContact NE-O 3.4Å; R133-E148 PolarHBondContact NH1-O 2.92Å; R133-E148 PolarHBondContact NH2-O 3.13Å; R133-E148 VanDerWaalsContact NH2-O 3.11Å; N146-E148 VanDerWaalsContact C-N 3.34Å; N146-E148 PolarHBondContact O-N 3.07Å; N146-E148 WeakPolarHBondContact OD1-CA 2.83Å; N146-E148 WeakPolarHBondContact OD1-CB 3.3Å; N146-E148 PolarHBondContact OD1-N 3.07Å |
| 149 | T | 89.8 | Confident | 85.6 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 33% | 0.325 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -25.5 | -178.4 | 70.6 | 0 | 0 | 0 | 0 | 112.6 | T131 N146 H151 | T131-T149 WeakPolarHBondContact CG2-O 3.29Å; N146-T149 WeakPolarHBondContact CB-OG1 3.32Å; N146-T149 PolarHBondContact OD1-N 2.9Å; T149-H151 WeakPolarHBondContact CB-ND1 3.48Å; T149-H151 PolarHBondContact O-CE1 3.18Å; T149-H151 PolarHBondContact O-ND1 3.02Å; T149-H151 PolarHBondContact OG1-N 3.35Å; T149-H151 PolarHBondContact OG1-ND1 2.88Å |
| 150 | G | 87.5 | Confident | 85 | Confident | 12 Ų | 12 | 71.5 Ų | 71.5 | 12% | 0.124 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 18.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | N146 | N146-G150 WeakPolarHBondContact O-CA 3.44Å; N146-G150 PolarHBondContact O-N 3.33Å |
| 151 | H | 86.4 | Confident | 84.7 | Confident | 96 Ų | 96 | 74.5 Ų | 74.5 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142.4 | -176.6 | -62.1 | 82.9 | 0 | 0 | 0 | 112 | N146 T149 | N146-H151 PolarHBondContact N-O 3.49Å; N146-H151 PolarHBondContact O-N 2.83Å; T149-H151 WeakPolarHBondContact CB-ND1 3.48Å; T149-H151 PolarHBondContact O-CE1 3.18Å; T149-H151 PolarHBondContact O-ND1 3.02Å; T149-H151 PolarHBondContact OG1-N 3.35Å; T149-H151 PolarHBondContact OG1-ND1 2.88Å |
| 152 | F | 88.7 | Confident | 84.6 | Confident | 48 Ų | 48 | 75.5 Ų | 75.5 | 21% | 0.211 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 133.6 | 165.9 | 173.2 | -98.2 | 0 | 0 | 0 | 109.9 | F116 D144 F145 C154 Y160 F162 | F116-F152 AromaticContact CD1-CD2 3.6Å; F116-F152 HydrophobicContact CD1-CD2 3.6Å; F116-F152 AromaticContact CD1-CE2 3.88Å; F116-F152 HydrophobicContact CD1-CE2 3.88Å; F116-F152 HydrophobicContact CE1-CB 4.25Å; F116-F152 AromaticContact CE1-CD2 3.33Å; F116-F152 HydrophobicContact CE1-CD2 3.33Å; F116-F152 AromaticContact CE1-CE2 3.84Å; F116-F152 HydrophobicContact CE1-CE2 3.84Å; F116-F152 AromaticContact CE1-CG 3.92Å; F116-F152 HydrophobicContact CE1-CG 3.92Å; F116-F152 HydrophobicContact CZ-CB 4.39Å; F116-F152 HydrophobicContact CZ-CD2 4.24Å; D144-F152 HydrophobicContact CB-CD2 4.14Å; D144-F152 HydrophobicContact CB-CE2 3.6Å; D144-F152 HydrophobicContact CB-CZ 4.36Å; F145-F152 HydrophobicContact CD2-CB 4.04Å; F152-C154 HydrophobicContact CE1-CB 4.12Å; F152-Y160 HydrophobicContact CE1-CD1 4.33Å; F152-Y160 HydrophobicContact CE1-CE1 4.22Å; F152-Y160 AromaticContact CZ-CD1 3.96Å; F152-Y160 HydrophobicContact CZ-CD1 3.96Å; F152-Y160 AromaticContact CZ-CE1 3.6Å; F152-Y160 HydrophobicContact CZ-CE1 3.6Å; F152-F162 HydrophobicContact CB-CE1 4.18Å; F152-F162 AromaticContact CD1-CE1 3.84Å; F152-F162 HydrophobicContact CD1-CE1 3.84Å; F152-F162 AromaticContact CD1-CZ 3.52Å; F152-F162 HydrophobicContact CD1-CZ 3.52Å; F152-F162 HydrophobicContact CD2-CE1 4.42Å; F152-F162 HydrophobicContact CE1-CE1 4.32Å; F152-F162 AromaticContact CE1-CZ 3.73Å; F152-F162 HydrophobicContact CE1-CZ 3.73Å; F152-F162 AromaticContact CG-CE1 3.88Å; F152-F162 HydrophobicContact CG-CE1 3.88Å; F152-F162 HydrophobicContact CG-CZ 4.06Å; F152-F162 HydrophobicContact CZ-CZ 4.43Å |
| 153 | R | 85.5 | Confident | 84.5 | Confident | 197 Ų | 197 | 72.9 Ų | 72.9 | 74% | 0.743 | 37% | 0.368 | S | S | * | . | trans | -106.4 | 119.2 | 173.6 | 179.3 | -177.5 | 168.2 | 104.7 | 0.2 | 109.3 | D144 R155 | D144-R153 PolarHBondContact O-N 3.29Å; R153-R155 PolarHBondContact O-N 3.17Å; R153-R155 VanDerWaalsContact O-N 3.15Å | ||
| 154 | C | 79.4 | Confident | 84.2 | Confident | 74 Ų | 74 | 69.9 Ų | 69.9 | 50% | 0.5 | 35% | 0.347 | S | S | . | . | trans | -71.5 | 107.3 | 172.9 | -173.6 | 0 | 0 | 0 | 0 | 110.2 | F152 V156 | F152-C154 HydrophobicContact CE1-CB 4.12Å; C154-V156 PolarHBondContact SG-O 3.29Å | ||
| 155 | R | 82.5 | Confident | 84.1 | Confident | 107 Ų | 107 | 77 Ų | 77 | 40% | 0.404 | 38% | 0.38 | S | S | . | . | trans | -91 | -35.8 | 172.7 | 179 | 174.3 | 51.5 | 89.1 | 21 | 112.2 | K113 E142 D144 R153 | K113-R155 PolarHBondContact O-NH2 3.08Å; E142-R155 VanDerWaalsContact CG-NH2 3.31Å; D144-R155 WeakPolarHBondContact OD1-CB 3.32Å; D144-R155 IonicContact OD1-CZ 3.89Å; D144-R155 IonicContact OD1-NE 3.93Å; D144-R155 PolarHBondContact OD1-NE 3.06Å; D144-R155 IonicContact OD1-NH2 2.77Å; D144-R155 IonicContact OD2-CZ 2.85Å; D144-R155 IonicContact OD2-NE 3.77Å; D144-R155 IonicContact OD2-NH2 3.05Å; D144-R155 PolarHBondContact OD2-NH2 2.84Å; D144-R155 VanDerWaalsContact OD2-NH2 3.11Å; R153-R155 PolarHBondContact O-N 3.17Å; R153-R155 VanDerWaalsContact O-N 3.15Å | ||
| 156 | V | 74.1 | Confident | 83.8 | Confident | 18 Ų | 18 | 79.1 Ų | 79.1 | 11% | 0.109 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -109 | 116.4 | -177 | -179 | 0 | 0 | 0 | 0 | 108.5 | Q112 C154 G158 Y160 | Q112-V156 HydrophobicContact CB-CB 4.43Å; Q112-V156 HydrophobicContact CB-CG1 3.81Å; Q112-V156 HydrophobicContact CB-CG2 3.74Å; C154-V156 PolarHBondContact SG-O 3.29Å; V156-G158 PolarHBondContact O-N 3.22Å; V156-Y160 WeakPolarHBondContact O-CE2 3.41Å; V156-Y160 PolarHBondContact O-OH 2.85Å |
| 157 | P | 69.6 | Low | 83.2 | Confident | 95 Ų | 95 | 81.9 Ų | 81.9 | 62% | 0.617 | 43% | 0.425 | S | S | * | . | trans | -63.7 | 130.4 | 176.9 | 26.7 | -33.1 | 0 | 0 | 0 | 109.9 | ||||
| 158 | G | 72.6 | Confident | 82.2 | Confident | 33 Ų | 33 | 81.6 Ų | 81.6 | 34% | 0.34 | 42% | 0.422 | S | S | . | . | S | Bend | trans | 170 | -175.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | V156 Y160 | V156-G158 PolarHBondContact O-N 3.22Å; G158-Y160 WeakPolarHBondContact O-CD2 3.28Å |
| 159 | M | 74.1 | Confident | 81.1 | Confident | 77 Ų | 77 | 81.2 Ų | 81.2 | 38% | 0.379 | 42% | 0.42 | S | S | . | . | trans | -91.1 | 131.7 | 176.3 | -62.9 | -53.2 | -54.3 | 0 | 0 | 109.9 | F327 F358 | M159-F327 HydrophobicContact CE-CD2 4.04Å; M159-F327 HydrophobicContact CE-CE1 4.44Å; M159-F327 HydrophobicContact CE-CE2 3.33Å; M159-F327 HydrophobicContact CE-CZ 3.56Å; M159-F327 HydrophobicContact CG-CD1 4.48Å; M159-F327 HydrophobicContact CG-CE1 3.91Å; M159-F327 HydrophobicContact CG-CE2 4.45Å; M159-F327 HydrophobicContact CG-CZ 3.89Å; M159-F327 HydrophobicContact SD-CE1 4.3Å; M159-F327 HydrophobicContact SD-CE2 4.11Å; M159-F327 HydrophobicContact SD-CZ 3.68Å; M159-F358 HydrophobicContact SD-CB 4.09Å; M159-F358 HydrophobicContact SD-CD1 4.42Å | ||
| 160 | Y | 81 | Confident | 80.4 | Confident | 68 Ų | 68 | 83.6 Ų | 83.6 | 27% | 0.267 | 43% | 0.43 | S | S | . | . | trans | -123 | 143.4 | -179 | -69.9 | -95.3 | 0 | 0 | 0 | 110.5 | A114 F152 V156 G158 F162 | A114-Y160 HydrophobicContact CB-CE1 3.64Å; F152-Y160 HydrophobicContact CE1-CD1 4.33Å; F152-Y160 HydrophobicContact CE1-CE1 4.22Å; F152-Y160 AromaticContact CZ-CD1 3.96Å; F152-Y160 HydrophobicContact CZ-CD1 3.96Å; F152-Y160 AromaticContact CZ-CE1 3.6Å; F152-Y160 HydrophobicContact CZ-CE1 3.6Å; V156-Y160 WeakPolarHBondContact O-CE2 3.41Å; V156-Y160 PolarHBondContact O-OH 2.85Å; G158-Y160 WeakPolarHBondContact O-CD2 3.28Å; Y160-F162 VanDerWaalsContact CB-CE2 3.43Å; Y160-F162 HydrophobicContact CG-CE2 4.29Å; Y160-F162 HydrophobicContact CG-CZ 4.42Å | ||
| 161 | Y | 84.1 | Confident | 79.9 | Confident | 88 Ų | 88 | 90 Ų | 90 | 35% | 0.345 | 46% | 0.455 | S | S | . | . | trans | -108.4 | 118.4 | 171.7 | 177.5 | -113.3 | 0 | 0 | 0 | 109.3 | V163 F377 T448 F450 | Y161-V163 HydrophobicContact CE1-CB 3.89Å; Y161-V163 HydrophobicContact CE1-CG1 3.85Å; Y161-F377 HydrophobicContact CE1-CE1 4.1Å; Y161-F377 AromaticContact CZ-CE1 3.85Å; Y161-T448 HydrophobicContact CD2-CG2 4.42Å; Y161-T448 HydrophobicContact CE2-CG2 4.35Å; Y161-F450 HydrophobicContact CD1-CE1 4.29Å; Y161-F450 HydrophobicContact CD1-CZ 4.44Å; Y161-F450 AromaticContact CD2-CE1 3.94Å; Y161-F450 HydrophobicContact CD2-CE1 3.94Å; Y161-F450 HydrophobicContact CE2-CE1 4.38Å; Y161-F450 AromaticContact CG-CE1 3.89Å; Y161-F450 HydrophobicContact CG-CE1 3.89Å; Y161-F450 HydrophobicContact CG-CZ 4.36Å | ||
| 162 | F | 86.2 | Confident | 79.7 | Confident | 81 Ų | 81 | 87.8 Ų | 87.8 | 36% | 0.355 | 45% | 0.446 | S | S | . | . | trans | -110 | 127.7 | 176.3 | -64.3 | -89.9 | 0 | 0 | 0 | 109.5 | F116 F152 Y160 L176 | F116-F162 HydrophobicContact CE1-CD1 4.08Å; F116-F162 AromaticContact CE1-CE1 3.63Å; F116-F162 HydrophobicContact CE1-CE1 3.63Å; F116-F162 AromaticContact CZ-CD1 3.83Å; F116-F162 HydrophobicContact CZ-CD1 3.83Å; F116-F162 AromaticContact CZ-CE1 3.73Å; F116-F162 HydrophobicContact CZ-CE1 3.73Å; F152-F162 HydrophobicContact CB-CE1 4.18Å; F152-F162 AromaticContact CD1-CE1 3.84Å; F152-F162 HydrophobicContact CD1-CE1 3.84Å; F152-F162 AromaticContact CD1-CZ 3.52Å; F152-F162 HydrophobicContact CD1-CZ 3.52Å; F152-F162 HydrophobicContact CD2-CE1 4.42Å; F152-F162 HydrophobicContact CE1-CE1 4.32Å; F152-F162 AromaticContact CE1-CZ 3.73Å; F152-F162 HydrophobicContact CE1-CZ 3.73Å; F152-F162 AromaticContact CG-CE1 3.88Å; F152-F162 HydrophobicContact CG-CE1 3.88Å; F152-F162 HydrophobicContact CG-CZ 4.06Å; F152-F162 HydrophobicContact CZ-CZ 4.43Å; Y160-F162 VanDerWaalsContact CB-CE2 3.43Å; Y160-F162 HydrophobicContact CG-CE2 4.29Å; Y160-F162 HydrophobicContact CG-CZ 4.42Å; F162-L176 HydrophobicContact CB-CD2 4.34Å | ||
| 163 | V | 87.7 | Confident | 79.5 | Confident | 74 Ų | 74 | 88.3 Ų | 88.3 | 45% | 0.448 | 46% | 0.455 | S | S | . | . | trans | -136.2 | 146.8 | 174.8 | 63.7 | 0 | 0 | 0 | 0 | 108.9 | Y161 | Y161-V163 HydrophobicContact CE1-CB 3.89Å; Y161-V163 HydrophobicContact CE1-CG1 3.85Å | ||
| 164 | Y | 86.4 | Confident | 79.5 | Confident | 68 Ų | 68 | 79.8 Ų | 79.8 | 27% | 0.267 | 43% | 0.425 | S | S | . | . | trans | -137.9 | 151.2 | 173.9 | 65.6 | -92.6 | 0 | 0 | 0 | 110.1 | V174 F186 | Y164-V174 HydrophobicContact CD2-CG1 4.19Å; Y164-V174 HydrophobicContact CE1-CG1 3.98Å; Y164-V174 HydrophobicContact CE2-CB 3.66Å; Y164-V174 HydrophobicContact CE2-CG1 3.63Å; Y164-V174 HydrophobicContact CE2-CG2 4.02Å; Y164-V174 VanDerWaalsContact CZ-CG1 3.5Å; Y164-V174 WeakPolarHBondContact OH-CB 3.46Å; Y164-F186 VanDerWaalsContact OH-CD2 3.31Å; Y164-F186 WeakPolarHBondContact OH-CD2 3.49Å | ||
| 165 | H | 84.9 | Confident | 79.9 | Confident | 159 Ų | 159 | 81.1 Ų | 81.1 | 74% | 0.736 | 42% | 0.424 | S | S | * | . | trans | -125.4 | 129.2 | 168.9 | -62.2 | -79.5 | 0 | 0 | 0 | 107.6 | ||||
| 166 | A | 82.8 | Confident | 80.1 | Confident | 59 Ų | 59 | 78.6 Ų | 78.6 | 49% | 0.488 | 42% | 0.418 | S | S | . | . | trans | -127.3 | 129.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | L172 | A166-L172 HydrophobicContact CB-CD2 3.78Š| ||
| 167 | S | 78.3 | Confident | 80.5 | Confident | 127 Ų | 127 | 82.9 Ų | 82.9 | 89% | 0.888 | 44% | 0.435 | S | S | * | . | trans | -87.7 | 141.9 | 172.9 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 168 | L | 71.9 | Confident | 81 | Confident | 37 Ų | 37 | 82.1 Ų | 82.1 | 19% | 0.194 | 43% | 0.425 | C | S | . | . | trans | -135.5 | 140.5 | -171.2 | -179.8 | 59.8 | 0 | 0 | 0 | 111.8 | D170 L172 D188 | L168-D170 WeakPolarHBondContact CD2-O 3.38Å; L168-D170 WeakPolarHBondContact CG-O 3.26Å; L168-L172 HydrophobicContact CD1-CB 3.37Å; L168-L172 HydrophobicContact CD1-CD2 4.48Å; L168-L172 HydrophobicContact CD2-CB 3.77Å; L168-L172 HydrophobicContact CG-CB 4.08Å; L168-D188 HydrophobicContact CD2-CB 3.98Å; L168-D188 WeakPolarHBondContact CD2-O 3.47Å | ||
| 169 | E | 70.1 | Confident | 81.4 | Confident | 134 Ų | 134 | 87 Ų | 87 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -100.1 | -23.2 | 170.9 | -66 | -174.8 | -177.5 | 0 | 0 | 114.2 | ||
| 170 | D | 74.4 | Confident | 81.6 | Confident | 103 Ų | 103 | 90 Ų | 90 | 55% | 0.551 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -140.5 | -104 | -177.7 | -169.4 | 10.7 | 0 | 0 | 0 | 112.1 | L168 R190 | L168-D170 WeakPolarHBondContact CD2-O 3.38Å; L168-D170 WeakPolarHBondContact CG-O 3.26Å; D170-R190 PolarHBondContact O-N 3.36Å |
| 171 | K | 77.5 | Confident | 81.6 | Confident | 148 Ų | 148 | 92 Ų | 92 | 64% | 0.643 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128.4 | 179.6 | -176.2 | 179.5 | 178.1 | 179.5 | 0 | 112.5 | ||
| 172 | L | 82.3 | Confident | 81.5 | Confident | 49 Ų | 49 | 92 Ų | 92 | 26% | 0.257 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 131.9 | 176.7 | 175 | 69.5 | 0 | 0 | 0 | 110.7 | A166 L168 V174 C187 D188 | A166-L172 HydrophobicContact CB-CD2 3.78Å; L168-L172 HydrophobicContact CD1-CB 3.37Å; L168-L172 HydrophobicContact CD1-CD2 4.48Å; L168-L172 HydrophobicContact CD2-CB 3.77Å; L168-L172 HydrophobicContact CG-CB 4.08Å; L172-V174 HydrophobicContact CD1-CG2 4.02Å; L172-V174 HydrophobicContact CD2-CG2 3.79Å; L172-V174 HydrophobicContact CG-CG2 3.75Å; L172-C187 CarbonylContact O-C 3.56Å; L172-C187 VanDerWaalsContact O-CA 3.3Å; L172-C187 WeakPolarHBondContact O-CA 3.24Å; L172-D188 PolarHBondContact N-O 3.48Å; L172-D188 PolarHBondContact O-N 3.41Å |
| 173 | C | 83.9 | Confident | 81.3 | Confident | 59 Ų | 59 | 89.4 Ų | 89.4 | 40% | 0.399 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.2 | 167.9 | -70.9 | 0 | 0 | 0 | 0 | 108.1 | F186 C187 | C173-F186 WeakPolarHBondContact CA-O 3.39Å; C173-C187 HydrophobicContact CB-CB 4.15Å; C173-C187 WeakPolarHBondContact CB-SG 3.37Å; C173-C187 WeakPolarHBondContact SG-CB 3.46Å; C173-C187 CovalentContact SG-SG 2.04Å; C173-C187 PolarHBondContact SG-SG 3.25Å |
| 174 | V | 86.6 | Confident | 81 | Confident | 18 Ų | 18 | 86.3 Ų | 86.3 | 11% | 0.109 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 132.1 | 176.4 | -179 | 0 | 0 | 0 | 0 | 108.7 | I132 Y164 L172 S185 F186 | I132-V174 HydrophobicContact CD1-CG1 4.01Å; I132-V174 HydrophobicContact CD1-CG2 4.08Å; Y164-V174 HydrophobicContact CD2-CG1 4.19Å; Y164-V174 HydrophobicContact CE1-CG1 3.98Å; Y164-V174 HydrophobicContact CE2-CB 3.66Å; Y164-V174 HydrophobicContact CE2-CG1 3.63Å; Y164-V174 HydrophobicContact CE2-CG2 4.02Å; Y164-V174 VanDerWaalsContact CZ-CG1 3.5Å; Y164-V174 WeakPolarHBondContact OH-CB 3.46Å; L172-V174 HydrophobicContact CD1-CG2 4.02Å; L172-V174 HydrophobicContact CD2-CG2 3.79Å; L172-V174 HydrophobicContact CG-CG2 3.75Å; V174-S185 WeakPolarHBondContact O-CA 3.12Å; V174-F186 PolarHBondContact N-O 3.42Å; V174-F186 PolarHBondContact O-N 2.94Å |
| 175 | Q | 87.4 | Confident | 81 | Confident | 102 Ų | 102 | 83.7 Ų | 83.7 | 48% | 0.477 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.7 | 179.9 | -69.2 | -176.2 | -10.1 | 0 | 0 | 109.5 | K177 L182 | Q175-K177 VanDerWaalsContact OE1-CE 3.25Å; Q175-L182 HydrophobicContact CB-CD1 3.63Å; Q175-L182 HydrophobicContact CG-CD1 3.76Å |
| 176 | L | 85.3 | Confident | 81 | Confident | 53 Ų | 53 | 77.2 Ų | 77.2 | 28% | 0.277 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.7 | 169.2 | -175.4 | 64.1 | 0 | 0 | 0 | 108.8 | F162 L183 T184 | F162-L176 HydrophobicContact CB-CD2 4.34Å; L176-L183 PolarHBondContact O-N 3.41Å; L176-T184 PolarHBondContact N-O 2.81Å |
| 177 | K | 82.6 | Confident | 80.9 | Confident | 108 Ų | 108 | 75.3 Ų | 75.3 | 47% | 0.47 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 147.1 | -177 | -62.8 | -176.9 | -179.9 | -179.8 | 0 | 111.3 | Q175 N181 L182 | Q175-K177 VanDerWaalsContact OE1-CE 3.25Å; K177-N181 CarbonylContact C-O 3.47Å; K177-N181 WeakPolarHBondContact CA-O 3.48Å; K177-L182 HydrophobicContact CG-CD1 4.46Å |
| 178 | L | 81.6 | Confident | 80.9 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 42% | 0.419 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 119.5 | 168.4 | 175.1 | 66.2 | 0 | 0 | 0 | 107.7 | N180 N181 L183 L351 | L178-N180 PolarHBondContact O-N 2.87Å; L178-N181 PolarHBondContact N-O 3Å; L178-N181 WeakPolarHBondContact O-CA 3.41Å; L178-N181 VanDerWaalsContact O-CB 3.27Å; L178-N181 WeakPolarHBondContact O-CB 3.47Å; L178-N181 PolarHBondContact O-N 3.05Å; L178-N181 PolarHBondContact O-ND2 3.36Å; L178-L183 HydrophobicContact CB-CD1 3.87Å; L178-L183 HydrophobicContact CB-CD2 4.1Å; L178-L183 HydrophobicContact CB-CG 4.08Å; L178-L351 HydrophobicContact CD2-CD2 3.74Å |
| 179 | D | 80.4 | Confident | 81.2 | Confident | 136 Ų | 136 | 70.9 Ų | 70.9 | 73% | 0.727 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 47.4 | -178.1 | -54.5 | -38 | 0 | 0 | 0 | 112.8 | N181 | D179-N181 PolarHBondContact O-N 3.33Å; D179-N181 VanDerWaalsContact O-N 3.11Å; D179-N181 PolarHBondContact O-ND2 3.43Å |
| 180 | N | 78.6 | Confident | 81.1 | Confident | 139 Ų | 139 | 71.9 Ų | 71.9 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | -5.6 | -174.3 | -60 | -45 | 0 | 0 | 0 | 116.9 | L178 | L178-N180 PolarHBondContact O-N 2.87Š|
| 181 | N | 80.3 | Confident | 80.5 | Confident | 111 Ų | 111 | 75.4 Ų | 75.4 | 59% | 0.594 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 128.7 | 173.9 | -60.8 | -61.8 | 0 | 0 | 0 | 110.9 | K177 L178 D179 L183 | K177-N181 CarbonylContact C-O 3.47Å; K177-N181 WeakPolarHBondContact CA-O 3.48Å; L178-N181 PolarHBondContact N-O 3Å; L178-N181 WeakPolarHBondContact O-CA 3.41Å; L178-N181 VanDerWaalsContact O-CB 3.27Å; L178-N181 WeakPolarHBondContact O-CB 3.47Å; L178-N181 PolarHBondContact O-N 3.05Å; L178-N181 PolarHBondContact O-ND2 3.36Å; D179-N181 PolarHBondContact O-N 3.33Å; D179-N181 VanDerWaalsContact O-N 3.11Å; D179-N181 PolarHBondContact O-ND2 3.43Å; N181-L183 PolarHBondContact O-N 3.48Å |
| 182 | L | 82.6 | Confident | 79.4 | Confident | 87 Ų | 87 | 76.8 Ų | 76.8 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 118 | 177.9 | 179.7 | 66.4 | 0 | 0 | 0 | 111 | Q175 K177 | Q175-L182 HydrophobicContact CB-CD1 3.63Å; Q175-L182 HydrophobicContact CG-CD1 3.76Å; K177-L182 HydrophobicContact CG-CD1 4.46Å |
| 183 | L | 82.6 | Confident | 77.7 | Confident | 27 Ų | 27 | 82.2 Ų | 82.2 | 14% | 0.141 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -58.7 | 175.7 | -60.3 | -171.6 | 0 | 0 | 0 | 111.3 | L176 L178 N181 K331 I350 L351 | L176-L183 PolarHBondContact O-N 3.41Å; L178-L183 HydrophobicContact CB-CD1 3.87Å; L178-L183 HydrophobicContact CB-CD2 4.1Å; L178-L183 HydrophobicContact CB-CG 4.08Å; N181-L183 PolarHBondContact O-N 3.48Å; L183-K331 PolarHBondContact O-NZ 3.44Å; L183-I350 HydrophobicContact CB-CG2 4.01Å; L183-I350 HydrophobicContact CD2-CG2 4.5Å; L183-L351 HydrophobicContact CD1-CD2 4.1Å; L183-L351 HydrophobicContact CD2-CD2 3.48Å; L183-L351 VanDerWaalsContact CD2-CD2 3.48Å; L183-L351 HydrophobicContact CG-CD2 4.45Å |
| 184 | T | 81.1 | Confident | 75.6 | Confident | 9 Ų | 9 | 88.1 Ų | 88.1 | 6% | 0.055 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 150.4 | -177.1 | 55.1 | 0 | 0 | 0 | 0 | 111 | L176 F186 I350 | L176-T184 PolarHBondContact N-O 2.81Å; T184-F186 HydrophobicContact CG2-CE2 4.47Å; T184-I350 HydrophobicContact CG2-CD1 3.79Å; T184-I350 HydrophobicContact CG2-CG2 4.39Å |
| 185 | S | 85.4 | Confident | 73.3 | Confident | 12 Ų | 12 | 95.4 Ų | 95.4 | 8% | 0.084 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 126.7 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | V174 T443 S444 | V174-S185 WeakPolarHBondContact O-CA 3.12Å; S185-T443 CarbonylContact O-C 3.56Å; S185-T443 VanDerWaalsContact O-CA 3.29Å; S185-T443 WeakPolarHBondContact O-CA 3.37Å; S185-T443 PolarHBondContact O-OG1 3.34Å; S185-T443 VanDerWaalsContact O-OG1 3.09Å; S185-S444 PolarHBondContact N-OG 3.28Å; S185-S444 VanDerWaalsContact N-OG 3.1Å; S185-S444 PolarHBondContact O-N 2.93Å |
| 186 | F | 84.6 | Confident | 70.8 | Confident | 24 Ų | 24 | 97.1 Ų | 97.1 | 11% | 0.105 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.9 | 178.4 | -60.7 | -79.7 | 0 | 0 | 0 | 109.8 | Y164 C173 V174 T184 H381 V411 S444 | Y164-F186 VanDerWaalsContact OH-CD2 3.31Å; Y164-F186 WeakPolarHBondContact OH-CD2 3.49Å; C173-F186 WeakPolarHBondContact CA-O 3.39Å; V174-F186 PolarHBondContact N-O 3.42Å; V174-F186 PolarHBondContact O-N 2.94Å; T184-F186 HydrophobicContact CG2-CE2 4.47Å; F186-H381 HydrophobicContact CD1-CB 4.19Å; F186-H381 HydrophobicContact CE1-CB 3.47Å; F186-H381 VanDerWaalsContact CE1-CB 3.47Å; F186-H381 HydrophobicContact CZ-CB 3.75Å; F186-V411 HydrophobicContact CB-CG2 4.06Å; F186-V411 HydrophobicContact CD1-CG1 4Å; F186-V411 HydrophobicContact CD1-CG2 4.4Å; F186-S444 WeakPolarHBondContact CD1-O 3.2Å; F186-S444 WeakPolarHBondContact CE1-O 3.05Å |
| 187 | C | 81.3 | Confident | 68.4 | Low | 19 Ų | 19 | 101.5 Ų | 101.5 | 13% | 0.128 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130 | -174.9 | -67 | 0 | 0 | 0 | 0 | 110.6 | L172 C173 V411 S442 | L172-C187 CarbonylContact O-C 3.56Å; L172-C187 VanDerWaalsContact O-CA 3.3Å; L172-C187 WeakPolarHBondContact O-CA 3.24Å; C173-C187 HydrophobicContact CB-CB 4.15Å; C173-C187 WeakPolarHBondContact CB-SG 3.37Å; C173-C187 WeakPolarHBondContact SG-CB 3.46Å; C173-C187 CovalentContact SG-SG 2.04Å; C173-C187 PolarHBondContact SG-SG 3.25Å; C187-V411 WeakPolarHBondContact O-CG2 3.46Å; C187-S442 PolarHBondContact SG-O 2.75Å; C187-S442 VanDerWaalsContact SG-O 3.33Å |
| 188 | D | 78.5 | Confident | 65.9 | Low | 40 Ų | 40 | 104.7 Ų | 104.7 | 21% | 0.214 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.4 | 172 | -163.4 | -20.2 | 0 | 0 | 0 | 109 | L168 L172 F409 | L168-D188 HydrophobicContact CD2-CB 3.98Å; L168-D188 WeakPolarHBondContact CD2-O 3.47Å; L172-D188 PolarHBondContact N-O 3.48Å; L172-D188 PolarHBondContact O-N 3.41Å; D188-F409 VanDerWaalsContact OD1-O 3.05Å |
| 189 | N | 78.1 | Confident | 63.7 | Low | 31 Ų | 31 | 107 Ų | 107 | 17% | 0.166 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 102.8 | 179.5 | -174.5 | 29.2 | 0 | 0 | 0 | 110.1 | S408 F409 | N189-S408 PolarHBondContact ND2-OG 2.76Å; N189-S408 WeakPolarHBondContact O-CB 3.42Å; N189-F409 HydrophobicContact CB-CB 4.18Å; N189-F409 PolarHBondContact N-O 3.11Å; N189-F409 VanDerWaalsContact N-O 3.07Å |
| 190 | R | 67.1 | Low | 61.1 | Low | 154 Ų | 154 | 105.8 Ų | 105.8 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | trans | -99.5 | 103.8 | 175.6 | -65.1 | -155.4 | 178.6 | -157.4 | 2.9 | 109.8 | D170 K192 | D170-R190 PolarHBondContact O-N 3.36Å; R190-K192 PolarHBondContact O-N 2.77Å | ||
| 191 | R | 62.7 | Low | 58.5 | Low | 178 Ų | 178 | 103.8 Ų | 103.8 | 67% | 0.672 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 126.3 | 166.5 | -62 | -164.5 | -140.3 | -170.3 | 9.3 | 108.3 | K193 | R191-K193 PolarHBondContact O-N 3.05Å; R191-K193 VanDerWaalsContact O-N 3.16Å |
| 192 | K | 54.4 | Low | 56 | Low | 176 Ų | 176 | 109.5 Ų | 109.5 | 77% | 0.765 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 119.2 | 165.5 | -73.8 | -177.1 | 178.3 | 177.9 | 0 | 107.6 | R190 Q194 | R190-K192 PolarHBondContact O-N 2.77Å; K192-Q194 PolarHBondContact O-N 3.16Å |
| 193 | K | 47.4 | Very low | 53.2 | Low | 164 Ų | 164 | 115.9 Ų | 115.9 | 71% | 0.713 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 126.6 | 160.9 | -79 | -172.8 | 176.3 | -177.5 | 0 | 106.2 | R191 Q195 D407 | R191-K193 PolarHBondContact O-N 3.05Å; R191-K193 VanDerWaalsContact O-N 3.16Å; K193-Q195 PolarHBondContact O-N 3.1Å; K193-D407 WeakPolarHBondContact CE-OD2 3.48Å; K193-D407 IonicContact NZ-OD2 3.65Å |
| 194 | Q | 38.6 | Very low | 50.3 | Low | 183 Ų | 183 | 120.8 Ų | 120.8 | 86% | 0.855 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 116.6 | 171 | -170 | 166 | -1.9 | 0 | 0 | 106.7 | K192 D196 | K192-Q194 PolarHBondContact O-N 3.16Å; Q194-D196 PolarHBondContact O-N 3.01Å |
| 195 | Q | 38 | Very low | 47.6 | Very low | 171 Ų | 171 | 126.4 Ų | 126.4 | 80% | 0.799 | 62% | 0.618 | S | S | * | * | trans | -75.8 | 91.7 | -174.9 | -172.4 | 147.2 | -4.7 | 0 | 0 | 108 | K193 N197 | K193-Q195 PolarHBondContact O-N 3.1Å; Q195-N197 PolarHBondContact O-N 2.98Å | ||
| 196 | D | 34.6 | Very low | 44.8 | Very low | 138 Ų | 138 | 133 Ų | 133 | 74% | 0.738 | 66% | 0.658 | S | S | * | * | trans | -65.7 | 119.3 | 156.2 | -83.1 | -23.8 | 0 | 0 | 0 | 107.2 | Q194 F198 | Q194-D196 PolarHBondContact O-N 3.01Å; D196-F198 PolarHBondContact O-N 3.49Å | ||
| 197 | N | 35.3 | Very low | 42.1 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | trans | -55.7 | 95.5 | 178.2 | -103.2 | -10.1 | 0 | 0 | 0 | 110.8 | Q195 | Q195-N197 PolarHBondContact O-N 2.98Š| ||
| 198 | F | 30.1 | Very low | 39.6 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 77% | 0.772 | 72% | 0.721 | S | S | * | * | trans | -143.2 | 135.6 | 154.4 | -81.1 | -77.4 | 0 | 0 | 0 | 110.4 | D196 T200 | D196-F198 PolarHBondContact O-N 3.49Å; F198-T200 PolarHBondContact O-N 3.49Å | ||
| 199 | P | 35.3 | Very low | 37.1 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -77.1 | 114.9 | 173.1 | 31.8 | -27.8 | 0 | 0 | 0 | 107.1 | ||||
| 200 | T | 26.7 | Very low | 34.5 | Very low | 110 Ų | 110 | 158.7 Ų | 158.7 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | -126.5 | 106.4 | 176.2 | -23.1 | 0 | 0 | 0 | 0 | 110.3 | F198 | F198-T200 PolarHBondContact O-N 3.49Š| ||
| 201 | S | 24.1 | Very low | 32.6 | Very low | 97 Ų | 97 | 157.1 Ų | 157.1 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | -12.3 | 122.2 | 159.4 | 6.1 | 0 | 0 | 0 | 0 | 116.3 | Y203 | S201-Y203 PolarHBondContact O-N 2.79Š| ||
| 202 | Y | 27.2 | Very low | 30.8 | Very low | 232 Ų | 232 | 156.8 Ų | 156.8 | 91% | 0.91 | 81% | 0.808 | S | S | * | * | trans | -81.6 | 108.8 | 166.9 | -62.9 | -84.4 | 0 | 0 | 0 | 109.8 | ||||
| 203 | Y | 23.1 | Very low | 29.4 | Very low | 221 Ų | 221 | 156 Ų | 156 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -84 | 117.5 | 159 | -80.8 | -85.6 | 0 | 0 | 0 | 108.7 | S201 | S201-Y203 PolarHBondContact O-N 2.79Š| ||
| 204 | C | 22.5 | Very low | 28.4 | Very low | 130 Ų | 130 | 157 Ų | 157 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | trans | -89.2 | 111.4 | 176.5 | -151.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 205 | T | 23.8 | Very low | 27.8 | Very low | 127 Ų | 127 | 155 Ų | 155 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -93.8 | 126.6 | 163 | 48.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 206 | T | 26.9 | Very low | 27.3 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -47.5 | 129.8 | 178.8 | 32.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 207 | G | 29.3 | Very low | 26.9 | Very low | 80 Ų | 80 | 151.4 Ų | 151.4 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 140.9 | -0.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 208 | R | 26.9 | Very low | 26.7 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -103.3 | 112.8 | 173.9 | -70.9 | -173.8 | -176 | -161.3 | -3.7 | 110.9 | T210 | R208-T210 HydrophobicContact CB-CG2 4.31Å; R208-T210 PolarHBondContact O-N 2.9Å | ||
| 209 | R | 26.3 | Very low | 26.6 | Very low | 257 Ų | 257 | 155.6 Ų | 155.6 | 97% | 0.97 | 82% | 0.817 | S | S | * | * | trans | -65.1 | 89.8 | 152.6 | -85.3 | -179.2 | 175.4 | 168.6 | -1.4 | 106.9 | S211 | R209-S211 PolarHBondContact O-N 2.82Š| ||
| 210 | T | 24.2 | Very low | 26.3 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | -72 | 115.7 | 164.9 | 39.3 | 0 | 0 | 0 | 0 | 107.7 | R208 L212 | R208-T210 HydrophobicContact CB-CG2 4.31Å; R208-T210 PolarHBondContact O-N 2.9Å; T210-L212 PolarHBondContact O-N 2.88Å; T210-L212 VanDerWaalsContact O-N 3.14Å | ||
| 211 | S | 27.4 | Very low | 26.5 | Very low | 122 Ų | 122 | 157 Ų | 157 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -60.4 | 116 | 164.3 | -55.8 | 0 | 0 | 0 | 0 | 108 | R209 L213 | R209-S211 PolarHBondContact O-N 2.82Å; S211-L213 PolarHBondContact O-N 2.86Å | ||
| 212 | L | 24.8 | Very low | 27.1 | Very low | 170 Ų | 170 | 158.4 Ų | 158.4 | 89% | 0.89 | 83% | 0.829 | S | S | * | * | trans | 0.2 | 105.8 | 169.5 | -73.6 | 150.6 | 0 | 0 | 0 | 115.5 | T210 Q214 | T210-L212 PolarHBondContact O-N 2.88Å; T210-L212 VanDerWaalsContact O-N 3.14Å; L212-Q214 PolarHBondContact O-N 2.9Å | ||
| 213 | L | 24.9 | Very low | 27.7 | Very low | 159 Ų | 159 | 151.9 Ų | 151.9 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -59.9 | 114.3 | 158.6 | -156.2 | 82.9 | 0 | 0 | 0 | 107 | S211 M215 | S211-L213 PolarHBondContact O-N 2.86Å; L213-M215 VanDerWaalsContact C-N 3.34Å; L213-M215 PolarHBondContact O-N 2.96Å | ||
| 214 | Q | 25.3 | Very low | 28.6 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | -64.7 | 102.2 | 165.1 | -176.4 | 154.4 | -20.4 | 0 | 0 | 106.7 | L212 A216 | L212-Q214 PolarHBondContact O-N 2.9Å; Q214-A216 PolarHBondContact O-N 2.86Å | ||
| 215 | M | 26.1 | Very low | 29.1 | Very low | 142 Ų | 142 | 147 Ų | 147 | 70% | 0.7 | 82% | 0.817 | S | S | * | * | trans | -55.9 | 114.8 | 164.6 | -81.6 | -176.7 | 40.4 | 0 | 0 | 107.5 | L213 L217 | L213-M215 VanDerWaalsContact C-N 3.34Å; L213-M215 PolarHBondContact O-N 2.96Å; M215-L217 HydrophobicContact CB-CD1 4.31Å; M215-L217 HydrophobicContact CE-CD1 3.52Å; M215-L217 PolarHBondContact O-N 3.02Å | ||
| 216 | A | 27.6 | Very low | 29.7 | Very low | 95 Ų | 95 | 153 Ų | 153 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -59.5 | 105.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q214 | Q214-A216 PolarHBondContact O-N 2.86Š| ||
| 217 | L | 28.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 153.8 Ų | 153.8 | 72% | 0.723 | 82% | 0.823 | S | S | * | * | trans | -99.6 | 96.5 | 156.6 | -105.2 | 81.3 | 0 | 0 | 0 | 107.1 | M215 | M215-L217 HydrophobicContact CB-CD1 4.31Å; M215-L217 HydrophobicContact CE-CD1 3.52Å; M215-L217 PolarHBondContact O-N 3.02Å | ||
| 218 | Q | 29.4 | Very low | 30.5 | Very low | 166 Ų | 166 | 157.8 Ų | 157.8 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -97.4 | 123.8 | 152.9 | -95.9 | 179.3 | -18.7 | 0 | 0 | 107.2 | ||||
| 219 | W | 28.6 | Very low | 30.8 | Very low | 241 Ų | 241 | 156.5 Ų | 156.5 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | 47.6 | 92.8 | 157.3 | -57 | 90.7 | 0 | 0 | 0 | 117.6 | ||||
| 220 | L | 28.8 | Very low | 31.1 | Very low | 162 Ų | 162 | 152 Ų | 152 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | -116.3 | 130.2 | 147.5 | -85.4 | 158.2 | 0 | 0 | 0 | 108.5 | ||||
| 221 | S | 31 | Very low | 31.5 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | trans | -53.6 | 148.1 | -174.9 | 50.2 | 0 | 0 | 0 | 0 | 114.5 | S223 | S221-S223 PolarHBondContact O-N 2.9Å; S221-S223 VanDerWaalsContact O-N 3.07Å | ||
| 222 | C | 37.1 | Very low | 31.7 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 86% | 0.858 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -54.2 | 104 | 166 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 223 | S | 39.5 | Very low | 32 | Very low | 95 Ų | 95 | 151.6 Ų | 151.6 | 66% | 0.664 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 159.6 | 133.4 | 146.3 | -80.1 | 0 | 0 | 0 | 0 | 108 | S221 | S221-S223 PolarHBondContact O-N 2.9Å; S221-S223 VanDerWaalsContact O-N 3.07Å |
| 224 | T | 41.1 | Very low | 32.3 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 86 | 54 | -179.4 | 76.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 225 | A | 34.1 | Very low | 32.8 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -142.5 | 48.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 226 | W | 35.7 | Very low | 32.9 | Very low | 252 Ų | 252 | 145.9 Ų | 145.9 | 96% | 0.955 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -106.8 | 8.6 | 168.8 | -99.8 | 57.4 | 0 | 0 | 0 | 112.4 | ||
| 227 | L | 39 | Very low | 33.2 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -140 | 73.4 | -173.5 | -142.1 | 87 | 0 | 0 | 0 | 109.6 | ||
| 228 | L | 34.1 | Very low | 33.5 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -178.6 | 34.2 | 152.8 | -95.5 | 163.9 | 0 | 0 | 0 | 110.5 | ||||
| 229 | L | 32.9 | Very low | 33.7 | Very low | 169 Ų | 169 | 149.4 Ų | 149.4 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | trans | -102.1 | 56.9 | 169.1 | -161.3 | 108.2 | 0 | 0 | 0 | 108.7 | ||||
| 230 | L | 34.4 | Very low | 33.9 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -166.1 | 53.2 | 178.6 | -111.2 | 167 | 0 | 0 | 0 | 112.1 | ||||
| 231 | V | 32.1 | Very low | 34.3 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -144.6 | 105.4 | 157.3 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 232 | C | 31 | Very low | 35 | Very low | 111 Ų | 111 | 142 Ų | 142 | 75% | 0.75 | 81% | 0.809 | S | S | * | * | trans | 53.9 | 81.5 | 157.5 | -61.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 233 | I | 31.8 | Very low | 35.1 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -102.4 | 92.1 | 140.4 | -54.5 | 176.4 | 0 | 0 | 0 | 105.9 | ||||
| 234 | V | 31.1 | Very low | 35.1 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 71% | 0.709 | 81% | 0.807 | S | S | * | * | trans | -79.6 | 128.4 | 158.6 | -100.1 | 0 | 0 | 0 | 0 | 106.8 | V236 | V234-V236 PolarHBondContact O-N 2.88Å; V234-V236 VanDerWaalsContact O-N 3.15Å | ||
| 235 | P | 35 | Very low | 35.2 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -64.6 | 116.4 | 171.3 | 26.9 | -30.8 | 0 | 0 | 0 | 107.9 | D237 | P235-D237 PolarHBondContact O-N 2.92Š| ||
| 236 | V | 29 | Very low | 35.6 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -74.7 | 94.3 | 159.4 | 178.2 | 0 | 0 | 0 | 0 | 105.1 | V234 M238 | V234-V236 PolarHBondContact O-N 2.88Å; V234-V236 VanDerWaalsContact O-N 3.15Å; V236-M238 PolarHBondContact O-N 2.81Å; V236-M238 VanDerWaalsContact O-N 3.07Å | ||
| 237 | D | 33.5 | Very low | 35.8 | Very low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -63.1 | 104.7 | 166.9 | -154.1 | -3 | 0 | 0 | 0 | 106.6 | P235 Q239 | P235-D237 PolarHBondContact O-N 2.92Å; D237-Q239 PolarHBondContact O-N 2.99Å | ||
| 238 | M | 34.8 | Very low | 36 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -77.6 | 79.4 | 173.9 | -168 | 157.8 | 174.7 | 0 | 0 | 106.7 | V236 S240 | V236-M238 PolarHBondContact O-N 2.81Å; V236-M238 VanDerWaalsContact O-N 3.07Å; M238-S240 PolarHBondContact O-N 2.72Å | ||
| 239 | Q | 33.2 | Very low | 36.4 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -63.1 | 110.2 | 176.4 | -162.3 | 149.7 | 7.3 | 0 | 0 | 108.1 | D237 C241 | D237-Q239 PolarHBondContact O-N 2.99Å; Q239-C241 PolarHBondContact O-N 2.8Å; Q239-C241 VanDerWaalsContact O-N 3.12Å | ||
| 240 | S | 33.2 | Very low | 36.8 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | trans | -50.7 | 115.2 | 166.6 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | M238 T242 | M238-S240 PolarHBondContact O-N 2.72Å; S240-T242 PolarHBondContact O-N 3.04Å | ||
| 241 | C | 37.4 | Very low | 37.2 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 92% | 0.919 | 77% | 0.773 | S | S | * | * | trans | -65 | 83.6 | 170.2 | -64.3 | 0 | 0 | 0 | 0 | 108.8 | Q239 | Q239-C241 PolarHBondContact O-N 2.8Å; Q239-C241 VanDerWaalsContact O-N 3.12Å | ||
| 242 | T | 44.3 | Very low | 37.7 | Very low | 129 Ų | 129 | 123.4 Ų | 123.4 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -96.2 | 99.9 | 166.5 | 44.1 | 0 | 0 | 0 | 0 | 106.9 | S240 | S240-T242 PolarHBondContact O-N 3.04Š| ||
| 243 | G | 40.1 | Very low | 38.3 | Very low | 69 Ų | 69 | 121.4 Ų | 121.4 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 158 | 64.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I245 | G243-I245 PolarHBondContact O-N 3.19Š| ||
| 244 | G | 38.7 | Very low | 38.7 | Very low | 75 Ų | 75 | 120 Ų | 120 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 245 | I | 43.6 | Very low | 39.3 | Very low | 164 Ų | 164 | 122.1 Ų | 122.1 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 129.1 | 173.2 | -48.7 | 170.7 | 0 | 0 | 0 | 106.8 | G243 G247 | G243-I245 PolarHBondContact O-N 3.19Å; I245-G247 PolarHBondContact O-N 3.07Å |
| 246 | P | 43.4 | Very low | 39.7 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 135.5 | 177 | -23.6 | 32.2 | 0 | 0 | 0 | 110.5 | I248 | P246-I248 PolarHBondContact O-N 2.67Š|
| 247 | G | 40.5 | Very low | 40.2 | Very low | 70 Ų | 70 | 118.3 Ų | 118.3 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 140.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | I245 | I245-G247 PolarHBondContact O-N 3.07Š|
| 248 | I | 42 | Very low | 40.9 | Very low | 162 Ų | 162 | 119 Ų | 119 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 127.9 | 178.6 | -54.6 | 170.6 | 0 | 0 | 0 | 107.8 | P246 G250 | P246-I248 PolarHBondContact O-N 2.67Å; I248-G250 PolarHBondContact O-N 3.38Å |
| 249 | P | 43.6 | Very low | 41.5 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 133.2 | 177.3 | -26.2 | 33.8 | 0 | 0 | 0 | 110.4 | I251 | P249-I251 PolarHBondContact O-N 2.82Š|
| 250 | G | 41.2 | Very low | 41.7 | Very low | 69 Ų | 69 | 115.6 Ų | 115.6 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 137.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I248 | I248-G250 PolarHBondContact O-N 3.38Š|
| 251 | I | 41.1 | Very low | 42.6 | Very low | 165 Ų | 165 | 119 Ų | 119 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 124.8 | 179.7 | -50.7 | 171.4 | 0 | 0 | 0 | 107.6 | P249 G253 | P249-I251 PolarHBondContact O-N 2.82Å; I251-G253 PolarHBondContact O-N 3.05Å |
| 252 | P | 44.3 | Very low | 42.9 | Very low | 114 Ų | 114 | 116.1 Ų | 116.1 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 132.9 | 177.5 | -25.5 | 33.6 | 0 | 0 | 0 | 110.1 | T254 | P252-T254 PolarHBondContact O-N 2.94Š|
| 253 | G | 42.7 | Very low | 42.9 | Very low | 69 Ų | 69 | 117.1 Ų | 117.1 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 136.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I251 H255 | I251-G253 PolarHBondContact O-N 3.05Å; G253-H255 PolarHBondContact O-N 3.22Å |
| 254 | T | 39.9 | Very low | 43.4 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 135.1 | 176.2 | 50.3 | 0 | 0 | 0 | 0 | 109.7 | P252 G256 | P252-T254 PolarHBondContact O-N 2.94Å; T254-G256 PolarHBondContact O-N 3.29Å |
| 255 | H | 43.4 | Very low | 43.9 | Very low | 162 Ų | 162 | 123.1 Ų | 123.1 | 75% | 0.75 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 138.2 | 175.3 | -115.2 | 67.4 | 0 | 0 | 0 | 110.5 | G253 | G253-H255 PolarHBondContact O-N 3.22Š|
| 256 | G | 43.6 | Very low | 43.9 | Very low | 44 Ų | 44 | 124.7 Ų | 124.7 | 45% | 0.454 | 78% | 0.782 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 149.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T254 N258 | T254-G256 PolarHBondContact O-N 3.29Å; G256-N258 PolarHBondContact O-N 2.94Å |
| 257 | P | 40.6 | Very low | 44.2 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 138.5 | 177.3 | 25.8 | -33.1 | 0 | 0 | 0 | 109.9 | G259 | P257-G259 PolarHBondContact O-N 3.38Š|
| 258 | N | 47.4 | Very low | 44.4 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 137.5 | 173.3 | -75.9 | -9.4 | 0 | 0 | 0 | 109.8 | G256 Q260 | G256-N258 PolarHBondContact O-N 2.94Å; N258-Q260 PolarHBondContact O-N 2.73Å |
| 259 | G | 46.8 | Very low | 44.5 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 138.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P257 | P257-G259 PolarHBondContact O-N 3.38Š|
| 260 | Q | 38.6 | Very low | 44.4 | Very low | 195 Ų | 195 | 132 Ų | 132 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 132.9 | 179.2 | -69.2 | 179.2 | -7.1 | 0 | 0 | 110.1 | N258 G262 | N258-Q260 PolarHBondContact O-N 2.73Å; Q260-G262 PolarHBondContact O-N 3.47Å |
| 261 | D | 50.8 | Low | 44.5 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 130.7 | 174.1 | -70 | -30.8 | 0 | 0 | 0 | 110.3 | V263 | D261-V263 PolarHBondContact O-N 2.99Š|
| 262 | G | 45.1 | Very low | 44.3 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 132.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q260 K264 | Q260-G262 PolarHBondContact O-N 3.47Å; G262-K264 PolarHBondContact O-N 3.37Å |
| 263 | V | 43.9 | Very low | 43.9 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 92% | 0.915 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 124.8 | 177.7 | -110.5 | 0 | 0 | 0 | 0 | 111.2 | D261 G265 | D261-V263 PolarHBondContact O-N 2.99Å; V263-G265 PolarHBondContact O-N 2.88Å |
| 264 | K | 51.1 | Low | 43.5 | Very low | 200 Ų | 200 | 133.4 Ų | 133.4 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 120.2 | 175.2 | -176 | 178.8 | -179.8 | 179.8 | 0 | 109.4 | G262 E266 | G262-K264 PolarHBondContact O-N 3.37Å; K264-E266 PolarHBondContact O-N 3.36Å |
| 265 | G | 48 | Very low | 43.5 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 134 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | V263 | V263-G265 PolarHBondContact O-N 2.88Š|
| 266 | E | 44.6 | Very low | 43.6 | Very low | 197 Ų | 197 | 133 Ų | 133 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 141.6 | 175.3 | -66.6 | -174.9 | 146.7 | 0 | 0 | 111.1 | K264 | K264-E266 PolarHBondContact O-N 3.36Š|
| 267 | K | 50.2 | Low | 43.6 | Very low | 200 Ų | 200 | 138.1 Ų | 138.1 | 87% | 0.87 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 119.7 | 177.7 | -175.1 | -178.4 | -177.5 | -174.8 | 0 | 108.3 | ||
| 268 | G | 44.6 | Very low | 43.6 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 141.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 269 | D | 42.7 | Very low | 43.3 | Very low | 168 Ų | 168 | 140 Ų | 140 | 90% | 0.898 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 141.7 | 177.8 | -66.4 | -44.5 | 0 | 0 | 0 | 111.9 | ||
| 270 | L | 43 | Very low | 43.1 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 92% | 0.921 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 127.2 | -178.6 | -149.9 | 82.4 | 0 | 0 | 0 | 109.8 | ||
| 271 | G | 41.4 | Very low | 43.5 | Very low | 78 Ų | 78 | 147.2 Ų | 147.2 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -68 | 156.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 272 | E | 37.9 | Very low | 43.5 | Very low | 206 Ų | 206 | 142.8 Ų | 142.8 | 96% | 0.963 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -89 | 142.4 | -172.6 | -165.4 | 175.9 | -163.7 | 0 | 0 | 112.8 | ||
| 273 | G | 35.7 | Very low | 43.7 | Very low | 79 Ų | 79 | 146.6 Ų | 146.6 | 81% | 0.814 | 85% | 0.847 | S | S | * | * | trans | 159.1 | 108.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 274 | G | 33.8 | Very low | 44.1 | Very low | 84 Ų | 84 | 143.3 Ų | 143.3 | 87% | 0.866 | 84% | 0.836 | S | S | * | * | trans | 110.2 | 98.8 | 143.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 275 | Q | 40.6 | Very low | 44.3 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | trans | -82.7 | 155.6 | 159.8 | -100.7 | -179.9 | 1.9 | 0 | 0 | 110.5 | ||||
| 276 | P | 45.2 | Very low | 44.6 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 76% | 0.76 | 84% | 0.838 | S | S | * | * | -149.7 | 137.9 | 71.1 | 34.3 | -11.5 | 0 | 0 | 0 | 119.2 | |||||
| 277 | I | 43.3 | Very low | 45.3 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 77% | 0.774 | 82% | 0.822 | S | S | * | * | trans | 39.9 | 115.3 | 134.9 | -42.5 | 176.2 | 0 | 0 | 0 | 120.9 | ||||
| 278 | R | 40.5 | Very low | 45.8 | Very low | 249 Ų | 249 | 133.5 Ų | 133.5 | 94% | 0.94 | 80% | 0.803 | S | S | * | * | trans | -157.6 | 118.5 | 141.8 | -164.6 | 169 | -178.8 | 172.4 | 0.6 | 113.9 | ||||
| 279 | G | 41.9 | Very low | 46.8 | Very low | 68 Ų | 68 | 135.8 Ų | 135.8 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | 67.4 | 107.2 | 148.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | K281 | G279-K281 PolarHBondContact O-N 2.71Š| ||
| 280 | Q | 42.7 | Very low | 48 | Very low | 210 Ų | 210 | 133.2 Ų | 133.2 | 98% | 0.981 | 80% | 0.798 | S | S | * | * | trans | -62 | 114.4 | 170.4 | -77.1 | 178.6 | 0.9 | 0 | 0 | 111.7 | ||||
| 281 | K | 46 | Very low | 49 | Very low | 206 Ų | 206 | 126.8 Ų | 126.8 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 141.3 | 167.1 | -167.6 | 174.4 | -178.5 | 179.2 | 0 | 109.2 | G279 | G279-K281 PolarHBondContact O-N 2.71Š|
| 282 | G | 51.5 | Low | 50.2 | Low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 153.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | A284 | G282-A284 PolarHBondContact O-N 3.04Š|
| 283 | V | 48.5 | Very low | 51.7 | Low | 154 Ų | 154 | 129.2 Ų | 129.2 | 93% | 0.933 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 116.8 | -171.9 | -151.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 284 | A | 52.3 | Low | 53.2 | Low | 83 Ų | 83 | 127.3 Ų | 127.3 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 142.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G282 | G282-A284 PolarHBondContact O-N 3.04Š|
| 285 | G | 56.2 | Low | 54.7 | Low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -55 | 148 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | W287 | G285-W287 PolarHBondContact O-N 3.31Š|
| 286 | M | 54.9 | Low | 56.3 | Low | 192 Ų | 192 | 130 Ų | 130 | 95% | 0.946 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 131.2 | -178.8 | -74.9 | 174.4 | 57.3 | 0 | 0 | 111.2 | ||
| 287 | W | 59 | Low | 57.4 | Low | 158 Ų | 158 | 126.2 Ų | 126.2 | 60% | 0.598 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 139 | 177.3 | -76.4 | 37.8 | 0 | 0 | 0 | 110.2 | P77 K80 G285 | P77-W287 HydrophobicContact CG-CZ2 4.28Å; K80-W287 HydrophobicContact CD-CZ3 4.2Å; K80-W287 HydrophobicContact CG-CZ3 4.12Å; G285-W287 PolarHBondContact O-N 3.31Å |
| 288 | G | 61 | Low | 58.7 | Low | 46 Ų | 46 | 126.4 Ų | 126.4 | 47% | 0.474 | 72% | 0.718 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 149.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 289 | P | 64.3 | Low | 60.1 | Low | 118 Ų | 118 | 121 Ų | 121 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 143.7 | 179.6 | 23.8 | -32.7 | 0 | 0 | 0 | 111 | ||
| 290 | P | 68.3 | Low | 61.4 | Low | 113 Ų | 113 | 119.2 Ų | 119.2 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -55 | 142.8 | 177.4 | -24 | 32.8 | 0 | 0 | 0 | 112.1 | ||
| 291 | G | 65 | Low | 62.6 | Low | 42 Ų | 42 | 116.9 Ų | 116.9 | 43% | 0.433 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 147.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 292 | R | 65.6 | Low | 63.9 | Low | 234 Ų | 234 | 111 Ų | 111 | 88% | 0.883 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 145.3 | 177.2 | -67.4 | -175.1 | -173.2 | -131.5 | 1.6 | 110.6 | ||
| 293 | P | 69.4 | Low | 64.9 | Low | 101 Ų | 101 | 109.3 Ų | 109.3 | 66% | 0.656 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -54 | 143.4 | 173.5 | -24.4 | 33.7 | 0 | 0 | 0 | 111.7 | ||
| 294 | G | 67.1 | Low | 65.8 | Low | 38 Ų | 38 | 107.8 Ų | 107.8 | 39% | 0.392 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 148.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P83 G85 | P83-G294 PolarHBondContact O-N 2.64Å; G85-G294 WeakPolarHBondContact CA-O 3.26Å |
| 295 | M | 65.4 | Low | 66.7 | Low | 182 Ų | 182 | 107.4 Ų | 107.4 | 90% | 0.897 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 143.8 | 173.4 | -61.5 | -178.5 | 76.3 | 0 | 0 | 109.8 | ||
| 296 | K | 73.7 | Confident | 67.2 | Low | 135 Ų | 135 | 105.9 Ų | 105.9 | 59% | 0.587 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 137.9 | 175.1 | -175.4 | 170.7 | -178.7 | 162.5 | 0 | 109.3 | ||
| 297 | G | 69.7 | Low | 67.8 | Low | 37 Ų | 37 | 107.1 Ų | 107.1 | 38% | 0.381 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 152.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E86 G88 | E86-G297 PolarHBondContact O-N 3.34Å; E86-G297 VanDerWaalsContact O-N 3.1Å; G88-G297 WeakPolarHBondContact CA-O 3.33Å |
| 298 | D | 70.5 | Confident | 68.4 | Low | 155 Ų | 155 | 103.9 Ų | 103.9 | 83% | 0.829 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -62 | 149.8 | 176.3 | -62.2 | -39.7 | 0 | 0 | 0 | 111.3 | G88 | G88-D298 WeakPolarHBondContact CA-O 3.43Š|
| 299 | M | 68.4 | Low | 68.7 | Low | 135 Ų | 135 | 103.5 Ų | 103.5 | 67% | 0.665 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 139.5 | 174.9 | -176.4 | 172.3 | 61.2 | 0 | 0 | 110.4 | ||
| 300 | G | 69.6 | Low | 68.8 | Low | 32 Ų | 32 | 106.9 Ų | 106.9 | 33% | 0.33 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 152.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | G89 G91 | G89-G300 PolarHBondContact O-N 2.68Å; G91-G300 WeakPolarHBondContact CA-O 3.41Å |
| 301 | L | 68.6 | Low | 68.9 | Low | 161 Ų | 161 | 106.7 Ų | 106.7 | 84% | 0.843 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 145.1 | 175.8 | -65.6 | 172.6 | 0 | 0 | 0 | 110.5 | ||
| 302 | P | 73.4 | Confident | 68.5 | Low | 83 Ų | 83 | 106.4 Ų | 106.4 | 54% | 0.539 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 143.9 | 172.5 | -25.5 | 34.2 | 0 | 0 | 0 | 111.8 | S92 | S92-P302 WeakPolarHBondContact O-CA 3.35Š|
| 303 | G | 72.1 | Confident | 68.1 | Low | 31 Ų | 31 | 103.9 Ų | 103.9 | 32% | 0.32 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 152.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | S92 G94 | S92-G303 PolarHBondContact O-N 2.98Å; G94-G303 VanDerWaalsContact CA-O 3.23Å; G94-G303 WeakPolarHBondContact CA-O 3.49Å |
| 304 | P | 67.4 | Low | 67.4 | Low | 122 Ų | 122 | 105 Ų | 105 | 79% | 0.792 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 150 | 174.8 | 26.5 | -33.9 | 0 | 0 | 0 | 110.8 | ||
| 305 | A | 70.5 | Confident | 66.5 | Low | 75 Ų | 75 | 104.9 Ų | 104.9 | 62% | 0.62 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 142.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 306 | G | 67.6 | Low | 65.5 | Low | 34 Ų | 34 | 107 Ų | 107 | 35% | 0.351 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 146.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I95 G97 | I95-G306 PolarHBondContact O-N 3.1Å; G97-G306 VanDerWaalsContact CA-O 3.27Å; G97-G306 WeakPolarHBondContact CA-O 3.45Å |
| 307 | Y | 67.1 | Low | 64.3 | Low | 218 Ų | 218 | 105.4 Ų | 105.4 | 86% | 0.855 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 147.7 | 173.8 | -66.3 | -76.9 | 0 | 0 | 0 | 110.8 | ||
| 308 | P | 72 | Confident | 63.2 | Low | 89 Ų | 89 | 111.3 Ų | 111.3 | 58% | 0.578 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 143.5 | 171.4 | -24.9 | 33.9 | 0 | 0 | 0 | 111.5 | P98 | P98-P308 HydrophobicContact CG-CB 4.47Š|
| 309 | G | 67 | Low | 61.8 | Low | 38 Ų | 38 | 108.2 Ų | 108.2 | 39% | 0.392 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -56 | 147.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P98 G100 K311 | P98-G309 PolarHBondContact O-N 3.46Å; G100-G309 VanDerWaalsContact CA-O 3.32Å; G100-G309 WeakPolarHBondContact CA-O 3.32Å; G309-K311 PolarHBondContact O-N 3.38Å |
| 310 | Q | 66.4 | Low | 60.9 | Low | 190 Ų | 190 | 107.3 Ų | 107.3 | 89% | 0.888 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 137.1 | 174.8 | -67.4 | -172.5 | 10.8 | 0 | 0 | 109.8 | G312 | Q310-G312 PolarHBondContact O-N 2.77Š|
| 311 | K | 69.7 | Low | 60 | Low | 108 Ų | 108 | 110.3 Ų | 110.3 | 47% | 0.47 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 134.7 | 172.9 | -176.3 | 172.6 | 176.7 | 174.7 | 0 | 108.8 | E104 G309 | E104-K311 IonicContact OE1-NZ 2.78Å; E104-K311 PolarHBondContact OE1-NZ 2.67Å; G309-K311 PolarHBondContact O-N 3.38Å |
| 312 | G | 58.1 | Low | 59.1 | Low | 37 Ų | 37 | 109.2 Ų | 109.2 | 38% | 0.381 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 146.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G103 Q310 K314 | G103-G312 WeakPolarHBondContact CA-O 3.33Å; Q310-G312 PolarHBondContact O-N 2.77Å; G312-K314 PolarHBondContact O-N 2.73Å |
| 313 | E | 55.8 | Low | 58.4 | Low | 181 Ų | 181 | 114.9 Ų | 114.9 | 85% | 0.846 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 138.2 | 174.9 | -68.6 | -170 | 162.4 | 0 | 0 | 110.4 | G315 | E313-G315 PolarHBondContact O-N 2.87Š|
| 314 | K | 54.8 | Low | 57.9 | Low | 125 Ų | 125 | 118.8 Ų | 118.8 | 54% | 0.543 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -59 | 132.4 | 174.9 | -173.6 | 168 | -173.5 | 147 | 0 | 109.4 | E104 G312 R316 | E104-K314 HydrophobicContact CB-CG 4.44Å; E104-K314 IonicContact OE2-NZ 3.78Å; E104-K314 PolarHBondContact OE2-NZ 3.48Å; G312-K314 PolarHBondContact O-N 2.73Å; K314-R316 PolarHBondContact O-N 2.97Å |
| 315 | G | 48.5 | Very low | 57.9 | Low | 35 Ų | 35 | 119.1 Ų | 119.1 | 36% | 0.361 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 130.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | E104 E313 | E104-G315 PolarHBondContact O-N 2.85Å; E313-G315 PolarHBondContact O-N 2.87Å |
| 316 | R | 45.4 | Very low | 58.6 | Low | 225 Ų | 225 | 115.6 Ų | 115.6 | 85% | 0.849 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 135.9 | -178.1 | -66.7 | -176 | -173.9 | -168.9 | 2 | 109.9 | K314 | K314-R316 PolarHBondContact O-N 2.97Š|
| 317 | P | 48.7 | Very low | 59.6 | Low | 102 Ų | 102 | 115.6 Ų | 115.6 | 66% | 0.662 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 145 | 173.3 | 22.7 | -30.7 | 0 | 0 | 0 | 110.5 | N319 | P317-N319 PolarHBondContact O-N 2.94Š|
| 318 | F | 46.2 | Very low | 60.8 | Low | 161 Ų | 161 | 105.3 Ų | 105.3 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | trans | -55.6 | 103.4 | 175.6 | -175.5 | -96.1 | 0 | 0 | 0 | 109.7 | ||||
| 319 | N | 41.2 | Very low | 61.6 | Low | 90 Ų | 90 | 103 Ų | 103 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | trans | -88.8 | 115.2 | 178.7 | -169.7 | -22.6 | 0 | 0 | 0 | 108.6 | P317 S321 N322 | P317-N319 PolarHBondContact O-N 2.94Å; N319-S321 PolarHBondContact O-N 2.85Å; N319-S321 WeakPolarHBondContact OD1-CB 3.21Å; N319-S321 PolarHBondContact OD1-N 2.03Å; N319-S321 PolarHBondContact OD1-OG 3.34Å; N319-N322 PolarHBondContact O-N 2.89Å | ||
| 320 | L | 48.9 | Very low | 62.8 | Low | 116 Ų | 116 | 101.4 Ų | 101.4 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -17.7 | 175.3 | -93.7 | 103.2 | 0 | 0 | 0 | 113.2 | ||
| 321 | S | 50 | Low | 64 | Low | 96 Ų | 96 | 94.2 Ų | 94.2 | 67% | 0.671 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -3.7 | -177.6 | -48.4 | 0 | 0 | 0 | 0 | 114.6 | N319 K323 | N319-S321 PolarHBondContact O-N 2.85Å; N319-S321 WeakPolarHBondContact OD1-CB 3.21Å; N319-S321 PolarHBondContact OD1-N 2.03Å; N319-S321 PolarHBondContact OD1-OG 3.34Å; S321-K323 PolarHBondContact O-N 2.82Å; S321-K323 VanDerWaalsContact O-N 3.17Å |
| 322 | N | 50.1 | Low | 65 | Low | 137 Ų | 137 | 90 Ų | 90 | 73% | 0.733 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -83.5 | 94.9 | 172.8 | -94.2 | 5.1 | 0 | 0 | 0 | 110.3 | N319 Q324 | N319-N322 PolarHBondContact O-N 2.89Å; N322-Q324 PolarHBondContact O-N 3.34Å |
| 323 | K | 59.2 | Low | 66.4 | Low | 202 Ų | 202 | 89.2 Ų | 89.2 | 88% | 0.878 | 44% | 0.444 | S | S | * | . | trans | -36.4 | 104.1 | 173.8 | -75.8 | 179 | 172.3 | -179.5 | 0 | 113.7 | S321 | S321-K323 PolarHBondContact O-N 2.82Å; S321-K323 VanDerWaalsContact O-N 3.17Å | ||
| 324 | Q | 61.3 | Low | 67.8 | Low | 113 Ų | 113 | 83.2 Ų | 83.2 | 53% | 0.528 | 42% | 0.417 | S | S | . | . | trans | -166.6 | 79.7 | 138.8 | -121.6 | 164.7 | 0.8 | 0 | 0 | 110.8 | N322 I372 | N322-Q324 PolarHBondContact O-N 3.34Å; Q324-I372 HydrophobicContact CB-CD1 4.28Å; Q324-I372 HydrophobicContact CG-CB 4.3Å; Q324-I372 HydrophobicContact CG-CD1 3.31Å; Q324-I372 HydrophobicContact CG-CG1 3.55Å; Q324-I372 HydrophobicContact CG-CG2 3.78Å | ||
| 325 | K | 67.4 | Low | 69.2 | Low | 130 Ų | 130 | 81 Ų | 81 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | trans | -130.4 | 93.1 | 166.4 | -66.7 | -175 | -175.8 | 178.2 | 0 | 107.9 | F327 | K325-F327 HydrophobicContact CB-CD1 4.44Š| ||
| 326 | S | 84.6 | Confident | 71 | Confident | 1 Ų | 1 | 83.2 Ų | 83.2 | 1% | 0.007 | 42% | 0.421 | C | S | . | . | trans | -83.6 | 112.4 | 173.2 | -167.5 | 0 | 0 | 0 | 0 | 108.2 | Y376 F450 L451 | S326-Y376 WeakPolarHBondContact CB-OH 3.17Å; S326-Y376 PolarHBondContact OG-OH 3.01Å; S326-Y376 VanDerWaalsContact OG-OH 3.08Å; S326-F450 WeakPolarHBondContact O-CA 3.32Å; S326-L451 WeakPolarHBondContact O-CB 3.47Å; S326-L451 PolarHBondContact O-N 2.83Å | ||
| 327 | F | 89.5 | Confident | 73 | Confident | 34 Ų | 34 | 77.9 Ų | 77.9 | 15% | 0.149 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 158.5 | 172 | 71.4 | -85.4 | 0 | 0 | 0 | 110 | M159 K325 F358 G360 E361 G449 F450 | M159-F327 HydrophobicContact CE-CD2 4.04Å; M159-F327 HydrophobicContact CE-CE1 4.44Å; M159-F327 HydrophobicContact CE-CE2 3.33Å; M159-F327 HydrophobicContact CE-CZ 3.56Å; M159-F327 HydrophobicContact CG-CD1 4.48Å; M159-F327 HydrophobicContact CG-CE1 3.91Å; M159-F327 HydrophobicContact CG-CE2 4.45Å; M159-F327 HydrophobicContact CG-CZ 3.89Å; M159-F327 HydrophobicContact SD-CE1 4.3Å; M159-F327 HydrophobicContact SD-CE2 4.11Å; M159-F327 HydrophobicContact SD-CZ 3.68Å; K325-F327 HydrophobicContact CB-CD1 4.44Å; F327-F358 WeakPolarHBondContact CZ-O 3.33Å; F327-G360 CarbonylContact O-C 3.54Å; F327-G360 WeakPolarHBondContact O-CA 3.16Å; F327-E361 PolarHBondContact O-N 3.03Å; F327-G449 CarbonylContact C-O 3.52Å; F327-G449 WeakPolarHBondContact CA-O 3.47Å; F327-F450 HydrophobicContact CB-CB 3.65Å |
| 328 | F | 91.5 | Very high | 75 | Confident | 2 Ų | 2 | 73.5 Ų | 73.5 | 1% | 0.009 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 156.6 | 168.5 | 66.3 | -88.3 | 0 | 0 | 0 | 109.5 | E361 L363 F368 F378 F447 T448 G449 | F328-E361 HydrophobicContact CB-CB 4.44Å; F328-E361 VanDerWaalsContact CB-O 3.24Å; F328-E361 WeakPolarHBondContact CB-O 3.43Å; F328-L363 HydrophobicContact CD1-CD2 4.06Å; F328-L363 HydrophobicContact CD2-CD1 3.8Å; F328-L363 HydrophobicContact CD2-CD2 3.65Å; F328-L363 HydrophobicContact CD2-CG 3.89Å; F328-L363 HydrophobicContact CE1-CD2 4.16Å; F328-L363 HydrophobicContact CE2-CD1 3.88Å; F328-L363 HydrophobicContact CE2-CD2 3.77Å; F328-L363 HydrophobicContact CE2-CG 4.26Å; F328-L363 HydrophobicContact CG-CD2 3.8Å; F328-L363 HydrophobicContact CG-CG 4.29Å; F328-L363 HydrophobicContact CZ-CD2 4.02Å; F328-F368 HydrophobicContact CD1-CB 4.31Å; F328-F368 AromaticContact CD1-CD2 3.33Å; F328-F368 HydrophobicContact CD1-CD2 3.33Å; F328-F368 AromaticContact CD1-CE2 3.8Å; F328-F368 HydrophobicContact CD1-CE2 3.8Å; F328-F368 AromaticContact CD1-CG 3.95Å; F328-F368 HydrophobicContact CD1-CG 3.95Å; F328-F368 HydrophobicContact CE1-CB 3.62Å; F328-F368 HydrophobicContact CE1-CD1 4.16Å; F328-F368 AromaticContact CE1-CD2 3.33Å; F328-F368 HydrophobicContact CE1-CD2 3.33Å; F328-F368 AromaticContact CE1-CE2 3.99Å; F328-F368 HydrophobicContact CE1-CE2 3.99Å; F328-F368 AromaticContact CE1-CG 3.42Å; F328-F368 HydrophobicContact CE1-CG 3.42Å; F328-F368 VanDerWaalsContact CE1-CG 3.42Å; F328-F368 HydrophobicContact CG-CD2 4.42Å; F328-F368 HydrophobicContact CZ-CB 3.96Å; F328-F368 HydrophobicContact CZ-CD2 4.42Å; F328-F368 HydrophobicContact CZ-CG 4.24Å; F328-F378 HydrophobicContact CE1-CD1 4.26Å; F328-F378 AromaticContact CE1-CE1 3.82Å; F328-F378 HydrophobicContact CE1-CE1 3.82Å; F328-F378 HydrophobicContact CZ-CD1 4.03Å; F328-F378 AromaticContact CZ-CE1 4Å; F328-F378 HydrophobicContact CZ-CE1 4Å; F328-F447 HydrophobicContact CE2-CB 4.49Å; F328-F447 AromaticContact CE2-CD1 3.53Å; F328-F447 HydrophobicContact CE2-CD1 3.53Å; F328-F447 HydrophobicContact CE2-CD2 4.32Å; F328-F447 AromaticContact CE2-CE1 3.7Å; F328-F447 HydrophobicContact CE2-CE1 3.7Å; F328-F447 HydrophobicContact CE2-CE2 4.47Å; F328-F447 AromaticContact CE2-CG 3.86Å; F328-F447 HydrophobicContact CE2-CG 3.86Å; F328-F447 HydrophobicContact CE2-CZ 4.18Å; F328-F447 WeakPolarHBondContact CE2-O 3.14Å; F328-F447 AromaticContact CZ-CD1 3.9Å; F328-F447 HydrophobicContact CZ-CD1 3.9Å; F328-F447 AromaticContact CZ-CE1 3.54Å; F328-F447 HydrophobicContact CZ-CE1 3.54Å; F328-F447 HydrophobicContact CZ-CE2 4.21Å; F328-F447 HydrophobicContact CZ-CG 4.36Å; F328-F447 AromaticContact CZ-CZ 3.71Å; F328-F447 HydrophobicContact CZ-CZ 3.71Å; F328-T448 WeakPolarHBondContact O-CA 3.36Å; F328-T448 WeakPolarHBondContact O-CG2 3.24Å; F328-G449 PolarHBondContact N-O 2.89Å; F328-G449 PolarHBondContact O-N 3.22Å |
| 329 | S | 89.9 | Confident | 77.1 | Confident | 40 Ų | 40 | 72.1 Ų | 72.1 | 28% | 0.28 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 100.1 | 173.9 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | I350 T448 | S329-I350 WeakPolarHBondContact O-CG1 3.48Å; S329-I350 PolarHBondContact O-N 2.87Å; S329-I350 WeakPolarHBondContact OG-CD1 3.46Å; S329-T448 PolarHBondContact OG-OG1 3.11Å |
| 330 | N | 91.7 | Very high | 79.5 | Confident | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 147.8 | -172.7 | -71.8 | 27.5 | 0 | 0 | 0 | 110.8 | F346 R348 L363 S446 F447 | N330-F346 HydrophobicContact CB-CB 3.77Å; N330-F346 VanDerWaalsContact CB-O 3.32Å; N330-F346 WeakPolarHBondContact CB-O 3.37Å; N330-F346 PolarHBondContact ND2-O 2.73Å; N330-R348 CarbonylContact C-O 3.56Å; N330-R348 WeakPolarHBondContact CA-O 3.49Å; N330-L363 HydrophobicContact CB-CD1 3.81Å; N330-S446 CarbonylContact O-C 3.57Å; N330-S446 VanDerWaalsContact O-CA 3.26Å; N330-S446 WeakPolarHBondContact O-CA 3.38Å; N330-F447 PolarHBondContact N-O 2.86Å; N330-F447 PolarHBondContact O-N 3.06Å |
| 331 | K | 90.7 | Very high | 81.6 | Confident | 39 Ų | 39 | 69.5 Ų | 69.5 | 17% | 0.17 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 155.9 | 168.9 | 63.5 | -179.7 | 171.8 | -170.6 | 0 | 111.5 | L183 F346 N347 R348 I350 H445 | L183-K331 PolarHBondContact O-NZ 3.44Å; K331-F346 CarbonylContact O-C 3.58Å; K331-N347 PolarHBondContact O-N 3.07Å; K331-R348 HydrophobicContact CG-CB 4.2Å; K331-R348 HydrophobicContact CG-CG 4.49Å; K331-R348 WeakPolarHBondContact CG-O 2.85Å; K331-R348 PolarHBondContact N-O 2.95Å; K331-R348 PolarHBondContact O-N 2.86Å; K331-I350 HydrophobicContact CB-CD1 4.35Å; K331-I350 HydrophobicContact CB-CG1 3.94Å; K331-I350 HydrophobicContact CD-CG1 4.31Å; K331-I350 HydrophobicContact CG-CG1 4.04Å; K331-H445 CarbonylContact C-O 3.48Å; K331-H445 WeakPolarHBondContact CA-O 3.47Å; K331-H445 VanDerWaalsContact CB-O 3.27Å; K331-H445 WeakPolarHBondContact CB-O 3.32Å |
| 332 | R | 91.4 | Very high | 83.6 | Confident | 20 Ų | 20 | 69.1 Ų | 69.1 | 8% | 0.075 | 36% | 0.357 | C | S | . | . | trans | -84.3 | 117.8 | 171 | -172.9 | 177.1 | -157.1 | -65.8 | 1.9 | 109.6 | I334 N336 N345 F346 H445 | R332-I334 PolarHBondContact NH1-O 2.71Å; R332-N336 PolarHBondContact NH1-O 3.24Å; R332-N336 PolarHBondContact NH1-OD1 3.39Å; R332-N336 PolarHBondContact NH2-O 2.77Å; R332-N336 PolarHBondContact NH2-OD1 3.12Å; R332-N345 WeakPolarHBondContact CG-O 3.47Å; R332-F346 HydrophobicContact CB-CD1 4.17Å; R332-H445 HydrophobicContact CB-CB 4.04Å; R332-H445 PolarHBondContact N-O 3.27Å; R332-H445 VanDerWaalsContact N-O 3.07Å | ||
| 333 | A | 87 | Confident | 85.8 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | trans | -120.4 | 18.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | N347 R348 Q440 | A333-N347 PolarHBondContact N-OD1 2.64Å; A333-R348 HydrophobicContact CB-CB 3.72Å; A333-R348 HydrophobicContact CB-CG 4.3Å; A333-Q440 PolarHBondContact O-NE2 2.78Å | ||
| 334 | I | 86.3 | Confident | 87.5 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 28% | 0.282 | 30% | 0.296 | S | S | . | . | trans | -99.6 | 154.6 | 169.8 | -48.6 | 165.2 | 0 | 0 | 0 | 107 | R332 N336 N347 | R332-I334 PolarHBondContact NH1-O 2.71Å; I334-N336 WeakPolarHBondContact CB-OD1 3.47Å; I334-N336 HydrophobicContact CG2-CB 4.17Å; I334-N336 WeakPolarHBondContact CG2-OD1 3.17Å; I334-N347 HydrophobicContact CD1-CB 3.9Å; I334-N347 HydrophobicContact CG1-CB 4.33Å; I334-N347 VanDerWaalsContact CG1-CG 3.45Å; I334-N347 VanDerWaalsContact CG1-ND2 3.34Å; I334-N347 WeakPolarHBondContact CG1-ND2 3Å; I334-N347 WeakPolarHBondContact CG1-OD1 3.46Å | ||
| 335 | S | 83.8 | Confident | 89 | Confident | 77 Ų | 77 | 52.1 Ų | 52.1 | 54% | 0.538 | 28% | 0.282 | S | S | . | . | trans | -119.2 | 27.7 | 176.5 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | V438 | S335-V438 VanDerWaalsContact CA-CG1 3.41Å; S335-V438 WeakPolarHBondContact CB-O 3.36Å; S335-V438 WeakPolarHBondContact O-CG1 3.34Å | ||
| 336 | N | 86.9 | Confident | 90.3 | Very high | 83 Ų | 83 | 46 Ų | 46 | 44% | 0.444 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -81.8 | 153.5 | 166.4 | 64.1 | -29.7 | 0 | 0 | 0 | 110.4 | R332 I334 | R332-N336 PolarHBondContact NH1-O 3.24Å; R332-N336 PolarHBondContact NH1-OD1 3.39Å; R332-N336 PolarHBondContact NH2-O 2.77Å; R332-N336 PolarHBondContact NH2-OD1 3.12Å; I334-N336 WeakPolarHBondContact CB-OD1 3.47Å; I334-N336 HydrophobicContact CG2-CB 4.17Å; I334-N336 WeakPolarHBondContact CG2-OD1 3.17Å |
| 337 | V | 86.4 | Confident | 90.6 | Very high | 112 Ų | 112 | 49.3 Ų | 49.3 | 68% | 0.679 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 142.2 | 171.5 | -177.8 | 0 | 0 | 0 | 0 | 109 | ||
| 338 | V | 90 | Very high | 90.6 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 122.9 | 174.6 | 176.2 | 0 | 0 | 0 | 0 | 108 | I344 N434 I436 | V338-I344 HydrophobicContact CG1-CG1 3.93Å; V338-N434 PolarHBondContact O-ND2 3.05Å; V338-I436 HydrophobicContact CB-CD1 4.15Å; V338-I436 HydrophobicContact CG1-CD1 4.19Å; V338-I436 HydrophobicContact CG2-CD1 4.03Å |
| 339 | E | 90.8 | Very high | 90.4 | Very high | 133 Ų | 133 | 56.4 Ų | 56.4 | 62% | 0.621 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 144.5 | 176.1 | -69.7 | 175.3 | -164.7 | 0 | 0 | 111.5 | M342 S430 | E339-M342 HydrophobicContact CB-CB 3.88Å; E339-M342 HydrophobicContact CB-CG 3.65Å; E339-M342 PolarHBondContact O-N 3.5Å; E339-S430 PolarHBondContact O-OG 2.74Å |
| 340 | T | 92.3 | Very high | 90.1 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 41% | 0.405 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 135.8 | -179.8 | -59.6 | 0 | 0 | 0 | 0 | 111 | M342 K432 N434 | T340-M342 PolarHBondContact O-N 3.06Å; T340-K432 HydrophobicContact CG2-CB 4.29Å; T340-N434 PolarHBondContact OG1-ND2 3.46Å |
| 341 | N | 92.8 | Very high | 89.4 | Confident | 85 Ų | 85 | 57.5 Ų | 57.5 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 26.5 | -178.5 | -55 | -40 | 0 | 0 | 0 | 113.5 | S430 | N341-S430 WeakPolarHBondContact CA-O 3.5Å; N341-S430 PolarHBondContact N-O 2.83Å |
| 342 | M | 92.6 | Very high | 88.4 | Confident | 88 Ų | 88 | 59.6 Ų | 59.6 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -115.9 | 152 | 176.7 | -66.3 | -63.2 | -76.6 | 0 | 0 | 111.4 | E339 T340 I344 S430 | E339-M342 HydrophobicContact CB-CB 3.88Å; E339-M342 HydrophobicContact CB-CG 3.65Å; E339-M342 PolarHBondContact O-N 3.5Å; T340-M342 PolarHBondContact O-N 3.06Å; M342-I344 PolarHBondContact O-N 3.22Å; M342-S430 PolarHBondContact O-N 3.37Å |
| 343 | P | 95 | Very high | 87.4 | Confident | 47 Ų | 47 | 65 Ų | 65 | 31% | 0.305 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -57.2 | 135.9 | 173.4 | -23.2 | 32.6 | 0 | 0 | 0 | 112.2 | N345 Y427 V428 | P343-N345 PolarHBondContact O-N 3.16Å; P343-Y427 HydrophobicContact CB-CD2 3.77Å; P343-Y427 HydrophobicContact CB-CE2 4.33Å; P343-Y427 HydrophobicContact CB-CG 4.33Å; P343-Y427 HydrophobicContact CG-CD2 3.74Å; P343-Y427 HydrophobicContact CG-CE2 3.8Å; P343-Y427 HydrophobicContact CG-CG 4.43Å; P343-V428 WeakPolarHBondContact CA-O 3.49Å |
| 344 | I | 94.8 | Very high | 86.5 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.015 | 37% | 0.366 | C | S | . | . | trans | -80.3 | 117.7 | 174.9 | -56.6 | -177.2 | 0 | 0 | 0 | 108.7 | V338 M342 F346 L390 V428 I436 | V338-I344 HydrophobicContact CG1-CG1 3.93Å; M342-I344 PolarHBondContact O-N 3.22Å; I344-F346 HydrophobicContact CB-CE2 3.82Å; I344-F346 HydrophobicContact CB-CZ 4.21Å; I344-F346 HydrophobicContact CG2-CD2 4.33Å; I344-F346 HydrophobicContact CG2-CE1 4.36Å; I344-F346 HydrophobicContact CG2-CE2 3.74Å; I344-F346 HydrophobicContact CG2-CZ 3.76Å; I344-F346 WeakPolarHBondContact O-CD2 3.42Å; I344-F346 WeakPolarHBondContact O-CE2 3.34Å; I344-F346 PolarHBondContact O-N 2.61Å; I344-L390 HydrophobicContact CD1-CD2 3.62Å; I344-V428 HydrophobicContact CD1-CG1 4.1Å; I344-V428 PolarHBondContact N-O 3.28Å; I344-I436 HydrophobicContact CD1-CD1 3.74Å | ||
| 345 | N | 94.1 | Very high | 85.5 | Confident | 45 Ų | 45 | 69.5 Ų | 69.5 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | trans | -79.2 | 103.7 | -179 | -169.7 | -1.7 | 0 | 0 | 0 | 112.5 | R332 P343 N347 G366 | R332-N345 WeakPolarHBondContact CG-O 3.47Å; P343-N345 PolarHBondContact O-N 3.16Å; N345-N347 PolarHBondContact O-N 2.9Å; N345-G366 PolarHBondContact OD1-N 3.34Å | ||
| 346 | F | 93.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 39% | 0.386 | C | S | . | . | trans | -90 | 79.4 | 169.8 | -59 | -89.3 | 0 | 0 | 0 | 110.5 | N330 K331 R332 I344 R348 L363 V382 V428 H445 F447 | N330-F346 HydrophobicContact CB-CB 3.77Å; N330-F346 VanDerWaalsContact CB-O 3.32Å; N330-F346 WeakPolarHBondContact CB-O 3.37Å; N330-F346 PolarHBondContact ND2-O 2.73Å; K331-F346 CarbonylContact O-C 3.58Å; R332-F346 HydrophobicContact CB-CD1 4.17Å; I344-F346 HydrophobicContact CB-CE2 3.82Å; I344-F346 HydrophobicContact CB-CZ 4.21Å; I344-F346 HydrophobicContact CG2-CD2 4.33Å; I344-F346 HydrophobicContact CG2-CE1 4.36Å; I344-F346 HydrophobicContact CG2-CE2 3.74Å; I344-F346 HydrophobicContact CG2-CZ 3.76Å; I344-F346 WeakPolarHBondContact O-CD2 3.42Å; I344-F346 WeakPolarHBondContact O-CE2 3.34Å; I344-F346 PolarHBondContact O-N 2.61Å; F346-R348 PolarHBondContact O-N 2.86Å; F346-L363 HydrophobicContact CB-CD1 4.05Å; F346-V382 HydrophobicContact CZ-CG2 4.28Å; F346-V428 HydrophobicContact CE2-CB 4.18Å; F346-V428 HydrophobicContact CE2-CG2 4.32Å; F346-H445 HydrophobicContact CE1-CB 3.98Å; F346-F447 HydrophobicContact CB-CB 4.46Å; F346-F447 HydrophobicContact CD1-CB 3.89Å; F346-F447 HydrophobicContact CD2-CB 3.53Å; F346-F447 HydrophobicContact CD2-CD1 4.05Å; F346-F447 HydrophobicContact CD2-CG 4.19Å; F346-F447 HydrophobicContact CE1-CB 3.93Å; F346-F447 HydrophobicContact CE2-CB 3.58Å; F346-F447 HydrophobicContact CE2-CD1 4.28Å; F346-F447 HydrophobicContact CE2-CG 4.16Å; F346-F447 HydrophobicContact CG-CB 3.7Å; F346-F447 HydrophobicContact CZ-CB 3.78Å | ||
| 347 | N | 91.2 | Very high | 83.6 | Confident | 71 Ų | 71 | 74 Ų | 74 | 38% | 0.38 | 40% | 0.396 | S | S | . | . | trans | -84 | -5.8 | -164.5 | 71.9 | -55.4 | 0 | 0 | 0 | 116.2 | K331 A333 I334 N345 | K331-N347 PolarHBondContact O-N 3.07Å; A333-N347 PolarHBondContact N-OD1 2.64Å; I334-N347 HydrophobicContact CD1-CB 3.9Å; I334-N347 HydrophobicContact CG1-CB 4.33Å; I334-N347 VanDerWaalsContact CG1-CG 3.45Å; I334-N347 VanDerWaalsContact CG1-ND2 3.34Å; I334-N347 WeakPolarHBondContact CG1-ND2 3Å; I334-N347 WeakPolarHBondContact CG1-OD1 3.46Å; N345-N347 PolarHBondContact O-N 2.9Å | ||
| 348 | R | 89.7 | Confident | 82.7 | Confident | 129 Ų | 129 | 70.9 Ų | 70.9 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.2 | -174.2 | -174.2 | 173.3 | -178.8 | 177.9 | 3.2 | 111.3 | N330 K331 A333 F346 | N330-R348 CarbonylContact C-O 3.56Å; N330-R348 WeakPolarHBondContact CA-O 3.49Å; K331-R348 HydrophobicContact CG-CB 4.2Å; K331-R348 HydrophobicContact CG-CG 4.49Å; K331-R348 WeakPolarHBondContact CG-O 2.85Å; K331-R348 PolarHBondContact N-O 2.95Å; K331-R348 PolarHBondContact O-N 2.86Å; A333-R348 HydrophobicContact CB-CB 3.72Å; A333-R348 HydrophobicContact CB-CG 4.3Å; F346-R348 PolarHBondContact O-N 2.86Å |
| 349 | V | 87.7 | Confident | 81.9 | Confident | 57 Ų | 57 | 75.7 Ų | 75.7 | 35% | 0.345 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 138.1 | 172.7 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 350 | I | 83.8 | Confident | 81.3 | Confident | 19 Ų | 19 | 70.8 Ų | 70.8 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -70.1 | -35.5 | -177.7 | -66.1 | -178.1 | 0 | 0 | 0 | 111.7 | L183 T184 S329 K331 P352 | L183-I350 HydrophobicContact CB-CG2 4.01Å; L183-I350 HydrophobicContact CD2-CG2 4.5Å; T184-I350 HydrophobicContact CG2-CD1 3.79Å; T184-I350 HydrophobicContact CG2-CG2 4.39Å; S329-I350 WeakPolarHBondContact O-CG1 3.48Å; S329-I350 PolarHBondContact O-N 2.87Å; S329-I350 WeakPolarHBondContact OG-CD1 3.46Å; K331-I350 HydrophobicContact CB-CD1 4.35Å; K331-I350 HydrophobicContact CB-CG1 3.94Å; K331-I350 HydrophobicContact CD-CG1 4.31Å; K331-I350 HydrophobicContact CG-CG1 4.04Å; I350-P352 WeakPolarHBondContact O-CD 3.13Å |
| 351 | L | 76.1 | Confident | 81 | Confident | 48 Ų | 48 | 70.8 Ų | 70.8 | 25% | 0.251 | 38% | 0.376 | S | S | . | . | trans | -120.7 | 75.4 | -178.7 | -68 | 171 | 0 | 0 | 0 | 111.2 | L178 L183 T353 L354 | L178-L351 HydrophobicContact CD2-CD2 3.74Å; L183-L351 HydrophobicContact CD1-CD2 4.1Å; L183-L351 HydrophobicContact CD2-CD2 3.48Å; L183-L351 VanDerWaalsContact CD2-CD2 3.48Å; L183-L351 HydrophobicContact CG-CD2 4.45Å; L351-T353 VanDerWaalsContact C-N 3.28Å; L351-T353 PolarHBondContact O-N 2.9Å; L351-L354 HydrophobicContact CB-CD1 3.43Å; L351-L354 VanDerWaalsContact CB-CD1 3.43Å; L351-L354 HydrophobicContact CB-CG 3.87Å; L351-L354 HydrophobicContact CD1-CD1 3.9Å; L351-L354 HydrophobicContact CG-CD1 4.31Å | ||
| 352 | P | 70.7 | Confident | 80.6 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 53% | 0.532 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -17.2 | -175.2 | 30.6 | -36 | 0 | 0 | 0 | 113.9 | I350 | I350-P352 WeakPolarHBondContact O-CD 3.13Š|
| 353 | T | 70.1 | Confident | 80.6 | Confident | 135 Ų | 135 | 68.1 Ų | 68.1 | 83% | 0.828 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 9.2 | -176.5 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | L351 | L351-T353 VanDerWaalsContact C-N 3.28Å; L351-T353 PolarHBondContact O-N 2.9Å |
| 354 | L | 68.3 | Low | 80.4 | Confident | 53 Ų | 53 | 70.6 Ų | 70.6 | 28% | 0.277 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -65.5 | 143.6 | 174.6 | -78.4 | 164.1 | 0 | 0 | 0 | 110.5 | L351 F358 Q359 | L351-L354 HydrophobicContact CB-CD1 3.43Å; L351-L354 VanDerWaalsContact CB-CD1 3.43Å; L351-L354 HydrophobicContact CB-CG 3.87Å; L351-L354 HydrophobicContact CD1-CD1 3.9Å; L351-L354 HydrophobicContact CG-CD1 4.31Å; L354-F358 HydrophobicContact CB-CB 4.27Å; L354-F358 HydrophobicContact CD2-CB 4.16Å; L354-Q359 PolarHBondContact O-NE2 3.05Å |
| 355 | E | 64.9 | Low | 80.1 | Confident | 116 Ų | 116 | 76.2 Ų | 76.2 | 54% | 0.542 | 41% | 0.411 | S | S | . | . | trans | -52.5 | 147.7 | 170.1 | -59.2 | 173.8 | 172.5 | 0 | 0 | 109.7 | Q357 F358 Q359 | E355-Q357 HydrophobicContact CB-CG 4.03Å; E355-Q357 PolarHBondContact O-N 2.88Å; E355-Q357 PolarHBondContact OE2-NE2 3.45Å; E355-F358 HydrophobicContact CB-CD2 3.99Å; E355-F358 CarbonylContact O-C 3.54Å; E355-F358 WeakPolarHBondContact O-CA 3.21Å; E355-F358 PolarHBondContact O-N 3.01Å; E355-F358 VanDerWaalsContact OE2-CE2 3.29Å; E355-F358 WeakPolarHBondContact OE2-CE2 3.35Å; E355-Q359 PolarHBondContact O-N 2.83Å | ||
| 356 | T | 68.7 | Low | 80 | Confident | 116 Ų | 116 | 74 Ų | 74 | 71% | 0.712 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -55.2 | -32.1 | -173.5 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | F358 Q359 | T356-F358 VanDerWaalsContact C-N 3.26Å; T356-F358 PolarHBondContact O-N 3.46Å; T356-Q359 PolarHBondContact O-N 3.2Å |
| 357 | Q | 62.7 | Low | 80.1 | Confident | 140 Ų | 140 | 75.4 Ų | 75.4 | 65% | 0.654 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -68.7 | -16.9 | 175.5 | 64.1 | -155.8 | 20.4 | 0 | 0 | 115.2 | E355 | E355-Q357 HydrophobicContact CB-CG 4.03Å; E355-Q357 PolarHBondContact O-N 2.88Å; E355-Q357 PolarHBondContact OE2-NE2 3.45Å |
| 358 | F | 68.1 | Low | 80.4 | Confident | 45 Ų | 45 | 72 Ų | 72 | 20% | 0.197 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -112.9 | 14.8 | 177 | -57.2 | -60.2 | 0 | 0 | 0 | 112.2 | M159 F327 L354 E355 T356 | M159-F358 HydrophobicContact SD-CB 4.09Å; M159-F358 HydrophobicContact SD-CD1 4.42Å; F327-F358 WeakPolarHBondContact CZ-O 3.33Å; L354-F358 HydrophobicContact CB-CB 4.27Å; L354-F358 HydrophobicContact CD2-CB 4.16Å; E355-F358 HydrophobicContact CB-CD2 3.99Å; E355-F358 CarbonylContact O-C 3.54Å; E355-F358 WeakPolarHBondContact O-CA 3.21Å; E355-F358 PolarHBondContact O-N 3.01Å; E355-F358 VanDerWaalsContact OE2-CE2 3.29Å; E355-F358 WeakPolarHBondContact OE2-CE2 3.35Å; T356-F358 VanDerWaalsContact C-N 3.26Å; T356-F358 PolarHBondContact O-N 3.46Å |
| 359 | Q | 71.8 | Confident | 80.7 | Confident | 112 Ų | 112 | 71 Ų | 71 | 52% | 0.523 | 39% | 0.391 | S | S | . | . | trans | -78.2 | 134.9 | 171.7 | -70.2 | -178.7 | 8.2 | 0 | 0 | 110.2 | L354 E355 T356 | L354-Q359 PolarHBondContact O-NE2 3.05Å; E355-Q359 PolarHBondContact O-N 2.83Å; T356-Q359 PolarHBondContact O-N 3.2Å | ||
| 360 | G | 78.4 | Confident | 81 | Confident | 30 Ų | 30 | 68.4 Ų | 68.4 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | trans | -85 | 179.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | F327 | F327-G360 CarbonylContact O-C 3.54Å; F327-G360 WeakPolarHBondContact O-CA 3.16Å | ||
| 361 | E | 86.1 | Confident | 81.4 | Confident | 65 Ų | 65 | 70.8 Ų | 70.8 | 30% | 0.304 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 143.3 | 171.7 | -62.9 | -71.6 | -178.4 | 0 | 0 | 110.9 | F327 F328 F368 T371 | F327-E361 PolarHBondContact O-N 3.03Å; F328-E361 HydrophobicContact CB-CB 4.44Å; F328-E361 VanDerWaalsContact CB-O 3.24Å; F328-E361 WeakPolarHBondContact CB-O 3.43Å; E361-F368 HydrophobicContact CB-CE2 4.18Å; E361-F368 HydrophobicContact CG-CE2 4.2Å; E361-T371 PolarHBondContact OE1-OG1 2.7Å; E361-T371 VanDerWaalsContact OE1-OG1 3.08Å |
| 362 | T | 84.6 | Confident | 82.1 | Confident | 105 Ų | 105 | 69.2 Ų | 69.2 | 64% | 0.644 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -92.2 | 135.3 | 176.9 | -61.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 363 | L | 92 | Very high | 83.2 | Confident | 12 Ų | 12 | 68.1 Ų | 68.1 | 6% | 0.063 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 129.7 | 173.1 | -59.6 | -177.5 | 0 | 0 | 0 | 110.7 | F328 N330 F346 T367 F368 F447 | F328-L363 HydrophobicContact CD1-CD2 4.06Å; F328-L363 HydrophobicContact CD2-CD1 3.8Å; F328-L363 HydrophobicContact CD2-CD2 3.65Å; F328-L363 HydrophobicContact CD2-CG 3.89Å; F328-L363 HydrophobicContact CE1-CD2 4.16Å; F328-L363 HydrophobicContact CE2-CD1 3.88Å; F328-L363 HydrophobicContact CE2-CD2 3.77Å; F328-L363 HydrophobicContact CE2-CG 4.26Å; F328-L363 HydrophobicContact CG-CD2 3.8Å; F328-L363 HydrophobicContact CG-CG 4.29Å; F328-L363 HydrophobicContact CZ-CD2 4.02Å; N330-L363 HydrophobicContact CB-CD1 3.81Å; F346-L363 HydrophobicContact CB-CD1 4.05Å; L363-T367 WeakPolarHBondContact CA-O 3.41Å; L363-F368 HydrophobicContact CD2-CB 3.63Å; L363-F368 HydrophobicContact CD2-CD2 4.35Å; L363-F447 HydrophobicContact CD1-CD1 4.04Å |
| 364 | V | 91.4 | Very high | 84.4 | Confident | 99 Ų | 99 | 61.7 Ų | 61.7 | 60% | 0.6 | 33% | 0.33 | S | S | * | . | B | Isolated β-bridge | trans | -93.7 | 110.6 | 173.7 | -176.6 | 0 | 0 | 0 | 0 | 108 | G366 T367 | V364-G366 PolarHBondContact O-N 3.04Å; V364-T367 PolarHBondContact N-O 3.1Å; V364-T367 WeakPolarHBondContact O-CB 3.1Å; V364-T367 PolarHBondContact O-N 2.91Å |
| 365 | N | 89.4 | Confident | 85.6 | Confident | 121 Ų | 121 | 60 Ų | 60 | 65% | 0.647 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 39.1 | -177.1 | -62 | -21.2 | 0 | 0 | 0 | 113.7 | T367 | N365-T367 VanDerWaalsContact C-N 3.27Å; N365-T367 PolarHBondContact O-N 3.22Å |
| 366 | G | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 4.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N345 V364 | N345-G366 PolarHBondContact OD1-N 3.34Å; V364-G366 PolarHBondContact O-N 3.04Å |
| 367 | T | 96.1 | Very high | 88.3 | Confident | 28 Ų | 28 | 51 Ų | 51 | 17% | 0.172 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -103 | 128.3 | 178.6 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | L363 V364 N365 K425 Y427 | L363-T367 WeakPolarHBondContact CA-O 3.41Å; V364-T367 PolarHBondContact N-O 3.1Å; V364-T367 WeakPolarHBondContact O-CB 3.1Å; V364-T367 PolarHBondContact O-N 2.91Å; N365-T367 VanDerWaalsContact C-N 3.27Å; N365-T367 PolarHBondContact O-N 3.22Å; T367-K425 HydrophobicContact CG2-CB 3.81Å; T367-K425 HydrophobicContact CG2-CD 4.36Å; T367-K425 HydrophobicContact CG2-CG 4.19Å; T367-Y427 HydrophobicContact CG2-CD1 4.07Å |
| 368 | F | 96.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 135.4 | 167.7 | 173.1 | -107.6 | 0 | 0 | 0 | 109.2 | F328 E361 L363 C370 Y376 F378 L420 K425 I426 | F328-F368 HydrophobicContact CD1-CB 4.31Å; F328-F368 AromaticContact CD1-CD2 3.33Å; F328-F368 HydrophobicContact CD1-CD2 3.33Å; F328-F368 AromaticContact CD1-CE2 3.8Å; F328-F368 HydrophobicContact CD1-CE2 3.8Å; F328-F368 AromaticContact CD1-CG 3.95Å; F328-F368 HydrophobicContact CD1-CG 3.95Å; F328-F368 HydrophobicContact CE1-CB 3.62Å; F328-F368 HydrophobicContact CE1-CD1 4.16Å; F328-F368 AromaticContact CE1-CD2 3.33Å; F328-F368 HydrophobicContact CE1-CD2 3.33Å; F328-F368 AromaticContact CE1-CE2 3.99Å; F328-F368 HydrophobicContact CE1-CE2 3.99Å; F328-F368 AromaticContact CE1-CG 3.42Å; F328-F368 HydrophobicContact CE1-CG 3.42Å; F328-F368 VanDerWaalsContact CE1-CG 3.42Å; F328-F368 HydrophobicContact CG-CD2 4.42Å; F328-F368 HydrophobicContact CZ-CB 3.96Å; F328-F368 HydrophobicContact CZ-CD2 4.42Å; F328-F368 HydrophobicContact CZ-CG 4.24Å; E361-F368 HydrophobicContact CB-CE2 4.18Å; E361-F368 HydrophobicContact CG-CE2 4.2Å; L363-F368 HydrophobicContact CD2-CB 3.63Å; L363-F368 HydrophobicContact CD2-CD2 4.35Å; F368-C370 HydrophobicContact CE1-CB 4.25Å; F368-Y376 HydrophobicContact CE1-CD1 4.31Å; F368-Y376 HydrophobicContact CE1-CE1 4.05Å; F368-Y376 HydrophobicContact CZ-CD1 4.3Å; F368-Y376 AromaticContact CZ-CE1 3.68Å; F368-Y376 HydrophobicContact CZ-CE1 3.68Å; F368-F378 AromaticContact CD1-CE1 3.83Å; F368-F378 HydrophobicContact CD1-CE1 3.83Å; F368-F378 AromaticContact CD1-CZ 3.87Å; F368-F378 HydrophobicContact CD1-CZ 3.87Å; F368-F378 HydrophobicContact CE1-CE1 4.23Å; F368-F378 AromaticContact CE1-CZ 3.97Å; F368-F378 HydrophobicContact CE1-CZ 3.97Å; F368-F378 HydrophobicContact CG-CE1 4.36Å; F368-L420 HydrophobicContact CE1-CD1 4.04Å; F368-K425 CarbonylContact O-C 3.5Å; F368-K425 VanDerWaalsContact O-CA 3.29Å; F368-K425 WeakPolarHBondContact O-CA 3.35Å; F368-I426 HydrophobicContact CB-CB 4.36Å; F368-I426 HydrophobicContact CD1-CB 4.2Å; F368-I426 HydrophobicContact CD1-CG1 4.17Å; F368-I426 PolarHBondContact N-O 3.31Å; F368-I426 PolarHBondContact O-N 3.38Å |
| 369 | Q | 95.3 | Very high | 91.1 | Very high | 107 Ų | 107 | 42.3 Ų | 42.3 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.1 | 172.3 | -173.1 | 172.9 | 17.8 | 0 | 0 | 109 | T371 D424 | Q369-T371 PolarHBondContact O-N 2.77Å; Q369-D424 WeakPolarHBondContact CA-O 3.34Å |
| 370 | C | 94.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | trans | -66.5 | 119.7 | 180 | -175 | 0 | 0 | 0 | 0 | 110.5 | F368 I372 L420 E421 G423 D424 | F368-C370 HydrophobicContact CE1-CB 4.25Å; C370-I372 PolarHBondContact SG-O 2.91Å; C370-L420 HydrophobicContact CB-CB 4.2Å; C370-L420 HydrophobicContact CB-CD1 4.17Å; C370-E421 VanDerWaalsContact CB-O 3.26Å; C370-E421 WeakPolarHBondContact CB-O 3.3Å; C370-E421 PolarHBondContact SG-O 2.87Å; C370-G423 PolarHBondContact O-N 3.22Å; C370-D424 HydrophobicContact CB-CB 4.06Å; C370-D424 WeakPolarHBondContact CB-O 3.22Å; C370-D424 PolarHBondContact N-O 3.29Å | ||
| 371 | T | 91.9 | Very high | 92.8 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 42% | 0.423 | 20% | 0.199 | S | C | . | . | trans | -100.9 | -19.6 | 175.5 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | E361 Q369 | E361-T371 PolarHBondContact OE1-OG1 2.7Å; E361-T371 VanDerWaalsContact OE1-OG1 3.08Å; Q369-T371 PolarHBondContact O-N 2.77Å | ||
| 372 | I | 91.6 | Very high | 93.1 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 8% | 0.082 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -132.5 | 115.3 | -171.5 | -64.1 | 156.2 | 0 | 0 | 0 | 107.3 | Q324 C370 G374 Y376 L451 P454 | Q324-I372 HydrophobicContact CB-CD1 4.28Å; Q324-I372 HydrophobicContact CG-CB 4.3Å; Q324-I372 HydrophobicContact CG-CD1 3.31Å; Q324-I372 HydrophobicContact CG-CG1 3.55Å; Q324-I372 HydrophobicContact CG-CG2 3.78Å; C370-I372 PolarHBondContact SG-O 2.91Å; I372-G374 PolarHBondContact O-N 3.48Å; I372-Y376 VanDerWaalsContact O-CE2 3.26Å; I372-Y376 WeakPolarHBondContact O-CE2 3.27Å; I372-Y376 PolarHBondContact O-OH 3.41Å; I372-L451 HydrophobicContact CG2-CD2 3.73Å; I372-P454 HydrophobicContact CG2-CB 4.37Å |
| 373 | K | 94 | Very high | 93.4 | Very high | 58 Ų | 58 | 29.1 Ų | 29.1 | 25% | 0.252 | 15% | 0.154 | S | C | . | . | trans | -58.1 | 133.4 | 175.5 | -170.5 | -171.3 | 173.1 | -176.4 | 0 | 110.3 | L420 E421 V422 P454 T455 S456 | K373-L420 WeakPolarHBondContact CA-O 3.37Å; K373-L420 WeakPolarHBondContact CG-O 3.02Å; K373-E421 VanDerWaalsContact CD-OE2 3.3Å; K373-E421 WeakPolarHBondContact CD-OE2 3.21Å; K373-E421 VanDerWaalsContact CE-OE1 3.22Å; K373-E421 WeakPolarHBondContact CE-OE1 3.46Å; K373-E421 VanDerWaalsContact CE-OE2 3.26Å; K373-E421 WeakPolarHBondContact CE-OE2 3.12Å; K373-E421 WeakPolarHBondContact CG-OE2 3.44Å; K373-E421 IonicContact NZ-OE1 3.81Å; K373-E421 IonicContact NZ-OE2 3.11Å; K373-V422 HydrophobicContact CB-CG2 4.15Å; K373-P454 WeakPolarHBondContact O-CA 3.35Å; K373-T455 WeakPolarHBondContact CG-OG1 3.03Å; K373-T455 PolarHBondContact O-N 3.25Å; K373-T455 VanDerWaalsContact O-N 3.07Å; K373-S456 PolarHBondContact NZ-O 3.37Å | ||
| 374 | G | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.6 | -177.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | I372 Y376 L420 F453 T455 | I372-G374 PolarHBondContact O-N 3.48Å; G374-Y376 WeakPolarHBondContact O-CD2 3.26Å; G374-L420 PolarHBondContact N-O 2.82Å; G374-L420 PolarHBondContact O-N 3.1Å; G374-F453 WeakPolarHBondContact CA-O 3.22Å; G374-T455 VanDerWaalsContact CA-OG1 3.28Å; G374-T455 WeakPolarHBondContact CA-OG1 3.35Å; G374-T455 PolarHBondContact N-OG1 3.32Å |
| 375 | V | 94.6 | Very high | 93.1 | Very high | 19 Ų | 19 | 29.9 Ų | 29.9 | 12% | 0.115 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.4 | 176.6 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | V417 L418 D419 I452 F453 T455 | V375-V417 HydrophobicContact CG1-CG1 3.35Å; V375-L418 WeakPolarHBondContact CA-O 3.35Å; V375-D419 HydrophobicContact CG2-CB 4.4Å; V375-I452 HydrophobicContact CG1-CD1 4.2Å; V375-I452 WeakPolarHBondContact O-CB 3.29Å; V375-I452 PolarHBondContact O-N 2.7Å; V375-F453 HydrophobicContact CB-CD2 3.98Å; V375-F453 HydrophobicContact CB-CE1 4.12Å; V375-F453 HydrophobicContact CB-CE2 3.52Å; V375-F453 HydrophobicContact CB-CG 4.48Å; V375-F453 HydrophobicContact CB-CZ 3.58Å; V375-F453 HydrophobicContact CG1-CE1 4.23Å; V375-F453 HydrophobicContact CG1-CE2 4.29Å; V375-F453 HydrophobicContact CG1-CZ 3.84Å; V375-F453 HydrophobicContact CG2-CD2 3.97Å; V375-F453 HydrophobicContact CG2-CE2 3.22Å; V375-F453 HydrophobicContact CG2-CZ 3.58Å; V375-F453 PolarHBondContact N-O 3.06Å; V375-F453 PolarHBondContact O-N 3.31Å; V375-T455 HydrophobicContact CG2-CG2 4.3Å |
| 376 | Y | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 145.2 | -176 | -76.9 | -102.9 | 0 | 0 | 0 | 111.8 | S326 F368 I372 G374 F378 V417 L418 L420 F450 L451 | S326-Y376 WeakPolarHBondContact CB-OH 3.17Å; S326-Y376 PolarHBondContact OG-OH 3.01Å; S326-Y376 VanDerWaalsContact OG-OH 3.08Å; F368-Y376 HydrophobicContact CE1-CD1 4.31Å; F368-Y376 HydrophobicContact CE1-CE1 4.05Å; F368-Y376 HydrophobicContact CZ-CD1 4.3Å; F368-Y376 AromaticContact CZ-CE1 3.68Å; F368-Y376 HydrophobicContact CZ-CE1 3.68Å; I372-Y376 VanDerWaalsContact O-CE2 3.26Å; I372-Y376 WeakPolarHBondContact O-CE2 3.27Å; I372-Y376 PolarHBondContact O-OH 3.41Å; G374-Y376 WeakPolarHBondContact O-CD2 3.26Å; Y376-F378 HydrophobicContact CD1-CZ 4.14Å; Y376-F378 HydrophobicContact CG-CE2 4.23Å; Y376-F378 HydrophobicContact CG-CZ 4.1Å; Y376-V417 CarbonylContact O-C 3.55Å; Y376-V417 VanDerWaalsContact O-CA 3.26Å; Y376-V417 WeakPolarHBondContact O-CA 3.45Å; Y376-L418 PolarHBondContact N-O 2.89Å; Y376-L418 PolarHBondContact O-N 2.97Å; Y376-L420 HydrophobicContact CD2-CB 4.03Å; Y376-L420 HydrophobicContact CD2-CD1 3.66Å; Y376-L420 HydrophobicContact CD2-CG 3.89Å; Y376-L420 HydrophobicContact CE2-CB 4.25Å; Y376-L420 HydrophobicContact CE2-CD1 4.15Å; Y376-L420 HydrophobicContact CG-CD1 3.89Å; Y376-L420 HydrophobicContact CG-CG 4.43Å; Y376-F450 WeakPolarHBondContact CA-O 3.44Å; Y376-L451 HydrophobicContact CD1-CB 4.18Å; Y376-L451 HydrophobicContact CD2-CD1 3.93Å; Y376-L451 HydrophobicContact CE1-CB 3.77Å; Y376-L451 HydrophobicContact CE1-CD1 4.32Å; Y376-L451 HydrophobicContact CE2-CB 4.49Å; Y376-L451 HydrophobicContact CE2-CD1 3.51Å; Y376-L451 HydrophobicContact CG-CD1 4.49Å |
| 377 | F | 95.1 | Very high | 92.8 | Very high | 42 Ų | 42 | 30.8 Ų | 30.8 | 18% | 0.184 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.9 | 164.7 | -179.5 | -97.4 | 0 | 0 | 0 | 109.6 | Y161 V417 G449 F450 I452 | Y161-F377 HydrophobicContact CE1-CE1 4.1Å; Y161-F377 AromaticContact CZ-CE1 3.85Å; F377-V417 HydrophobicContact CD2-CG2 3.97Å; F377-G449 CarbonylContact O-C 3.43Å; F377-G449 WeakPolarHBondContact O-CA 3.36Å; F377-F450 HydrophobicContact CB-CD2 4.35Å; F377-F450 HydrophobicContact CB-CE1 4.18Å; F377-F450 HydrophobicContact CB-CE2 3.86Å; F377-F450 HydrophobicContact CB-CZ 3.76Å; F377-F450 HydrophobicContact CD1-CD1 4.26Å; F377-F450 AromaticContact CD1-CE1 3.41Å; F377-F450 HydrophobicContact CD1-CE1 3.41Å; F377-F450 VanDerWaalsContact CD1-CE1 3.41Å; F377-F450 HydrophobicContact CD1-CE2 4.45Å; F377-F450 AromaticContact CD1-CZ 3.52Å; F377-F450 HydrophobicContact CD1-CZ 3.52Å; F377-F450 HydrophobicContact CE1-CE1 4.18Å; F377-F450 HydrophobicContact CE1-CZ 4.37Å; F377-F450 HydrophobicContact CG-CE1 4.18Å; F377-F450 HydrophobicContact CG-CE2 4.46Å; F377-F450 AromaticContact CG-CZ 3.89Å; F377-F450 HydrophobicContact CG-CZ 3.89Å; F377-F450 PolarHBondContact N-O 2.93Å; F377-F450 PolarHBondContact O-N 2.65Å; F377-I452 HydrophobicContact CB-CD1 3.93Å; F377-I452 HydrophobicContact CB-CG1 4.04Å |
| 378 | F | 95.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 141.1 | 173.9 | -65.4 | -80 | 0 | 0 | 0 | 110.4 | F328 F368 Y376 L392 S415 A416 L418 L420 I426 F447 T448 | F328-F378 HydrophobicContact CE1-CD1 4.26Å; F328-F378 AromaticContact CE1-CE1 3.82Å; F328-F378 HydrophobicContact CE1-CE1 3.82Å; F328-F378 HydrophobicContact CZ-CD1 4.03Å; F328-F378 AromaticContact CZ-CE1 4Å; F328-F378 HydrophobicContact CZ-CE1 4Å; F368-F378 AromaticContact CD1-CE1 3.83Å; F368-F378 HydrophobicContact CD1-CE1 3.83Å; F368-F378 AromaticContact CD1-CZ 3.87Å; F368-F378 HydrophobicContact CD1-CZ 3.87Å; F368-F378 HydrophobicContact CE1-CE1 4.23Å; F368-F378 AromaticContact CE1-CZ 3.97Å; F368-F378 HydrophobicContact CE1-CZ 3.97Å; F368-F378 HydrophobicContact CG-CE1 4.36Å; Y376-F378 HydrophobicContact CD1-CZ 4.14Å; Y376-F378 HydrophobicContact CG-CE2 4.23Å; Y376-F378 HydrophobicContact CG-CZ 4.1Å; F378-L392 HydrophobicContact CB-CD2 4.48Å; F378-S415 CarbonylContact O-C 3.55Å; F378-S415 WeakPolarHBondContact O-CA 3.1Å; F378-S415 WeakPolarHBondContact O-CB 3.48Å; F378-A416 PolarHBondContact N-O 3.04Å; F378-A416 PolarHBondContact O-N 3.04Å; F378-L418 HydrophobicContact CD2-CB 4.36Å; F378-L418 HydrophobicContact CD2-CD1 3.89Å; F378-L418 HydrophobicContact CD2-CG 4.25Å; F378-L418 HydrophobicContact CE2-CB 4.18Å; F378-L418 HydrophobicContact CE2-CD1 4.04Å; F378-L418 HydrophobicContact CE2-CG 4.47Å; F378-L420 HydrophobicContact CE2-CD1 3.83Å; F378-L420 HydrophobicContact CZ-CD1 3.67Å; F378-I426 HydrophobicContact CD1-CG2 4.06Å; F378-I426 HydrophobicContact CD2-CG2 4.35Å; F378-I426 HydrophobicContact CE1-CB 4.13Å; F378-I426 HydrophobicContact CE1-CG1 4.29Å; F378-I426 HydrophobicContact CE1-CG2 3.96Å; F378-I426 HydrophobicContact CE2-CG1 4.07Å; F378-I426 HydrophobicContact CE2-CG2 4.27Å; F378-I426 HydrophobicContact CG-CG2 4.25Å; F378-I426 HydrophobicContact CZ-CB 4.1Å; F378-I426 HydrophobicContact CZ-CG1 3.75Å; F378-I426 HydrophobicContact CZ-CG2 4.1Å; F378-F447 HydrophobicContact CB-CE2 4.23Å; F378-F447 HydrophobicContact CD1-CE2 4.04Å; F378-F447 AromaticContact CD1-CZ 3.9Å; F378-F447 HydrophobicContact CD1-CZ 3.9Å; F378-T448 CarbonylContact C-O 3.51Å; F378-T448 WeakPolarHBondContact CA-O 3.27Å |
| 379 | S | 94.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 137.8 | 173.4 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | H381 G414 S415 T448 | S379-H381 PolarHBondContact OG-NE2 3.29Å; S379-G414 WeakPolarHBondContact CA-O 3.42Å; S379-S415 PolarHBondContact OG-OG 3.11Å; S379-S415 VanDerWaalsContact OG-OG 3.06Å; S379-T448 PolarHBondContact N-O 3.45Å; S379-T448 PolarHBondContact O-N 2.99Å |
| 380 | F | 94.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.009 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 151.5 | 172.7 | 61.8 | -98.6 | 0 | 0 | 0 | 111.6 | V382 L390 L392 F400 L402 S413 G414 V428 S446 F447 | F380-V382 HydrophobicContact CD2-CG2 4.34Å; F380-L390 HydrophobicContact CD2-CD1 3.97Å; F380-L390 HydrophobicContact CE2-CB 4.01Å; F380-L390 HydrophobicContact CE2-CD1 3.65Å; F380-L390 HydrophobicContact CE2-CG 4.49Å; F380-L390 HydrophobicContact CZ-CB 4.17Å; F380-L392 HydrophobicContact CE1-CB 4.43Å; F380-F400 AromaticContact CE1-CE2 3.98Å; F380-F400 HydrophobicContact CE1-CE2 3.98Å; F380-F400 AromaticContact CE1-CZ 3.76Å; F380-F400 HydrophobicContact CE1-CZ 3.76Å; F380-F400 AromaticContact CZ-CE2 3.94Å; F380-F400 HydrophobicContact CZ-CE2 3.94Å; F380-F400 HydrophobicContact CZ-CZ 4.17Å; F380-L402 HydrophobicContact CZ-CD1 4.43Å; F380-S413 WeakPolarHBondContact O-CA 3.18Å; F380-S413 WeakPolarHBondContact O-CB 3.41Å; F380-G414 PolarHBondContact N-O 2.92Å; F380-G414 PolarHBondContact O-N 3.24Å; F380-G414 VanDerWaalsContact O-N 3.16Å; F380-V428 HydrophobicContact CB-CG2 4.04Å; F380-V428 HydrophobicContact CD1-CG1 4.4Å; F380-V428 HydrophobicContact CD1-CG2 3.66Å; F380-V428 HydrophobicContact CE1-CG2 4.32Å; F380-V428 HydrophobicContact CG-CG1 4.42Å; F380-V428 HydrophobicContact CG-CG2 3.96Å; F380-S446 CarbonylContact C-O 3.51Å; F380-S446 VanDerWaalsContact CA-O 3.22Å; F380-S446 WeakPolarHBondContact CA-O 3.5Å; F380-F447 HydrophobicContact CB-CB 4.49Å; F380-F447 HydrophobicContact CB-CD2 3.93Å |
| 381 | H | 91.6 | Very high | 92.6 | Very high | 33 Ų | 33 | 25.5 Ų | 25.5 | 15% | 0.153 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 121.7 | 173.5 | -59.6 | -95.2 | 0 | 0 | 0 | 108 | F186 S379 V411 T412 S413 H445 S446 | F186-H381 HydrophobicContact CD1-CB 4.19Å; F186-H381 HydrophobicContact CE1-CB 3.47Å; F186-H381 VanDerWaalsContact CE1-CB 3.47Å; F186-H381 HydrophobicContact CZ-CB 3.75Å; S379-H381 PolarHBondContact OG-NE2 3.29Å; H381-V411 HydrophobicContact CB-CG1 4.26Å; H381-T412 WeakPolarHBondContact CA-O 3.47Å; H381-S413 VanDerWaalsContact ND1-CB 3.34Å; H381-S413 WeakPolarHBondContact ND1-CB 3.02Å; H381-H445 CarbonylContact O-C 3.57Å; H381-H445 VanDerWaalsContact O-CA 3.27Å; H381-H445 WeakPolarHBondContact O-CA 3.49Å; H381-S446 PolarHBondContact N-O 2.96Å; H381-S446 PolarHBondContact O-N 3.41Å |
| 382 | V | 92.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 127.5 | -175.9 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | F346 F380 L390 T412 I436 | F346-V382 HydrophobicContact CZ-CG2 4.28Å; F380-V382 HydrophobicContact CD2-CG2 4.34Å; V382-L390 HydrophobicContact CB-CD1 3.58Å; V382-L390 HydrophobicContact CG1-CD1 4.02Å; V382-L390 HydrophobicContact CG2-CD1 3.57Å; V382-T412 HydrophobicContact CB-CG2 4.09Å; V382-T412 PolarHBondContact N-O 3.07Å; V382-T412 WeakPolarHBondContact O-CG2 3.31Å; V382-T412 PolarHBondContact O-N 2.81Å; V382-I436 HydrophobicContact CG1-CB 4.47Å; V382-I436 HydrophobicContact CG1-CD1 4.17Å; V382-I436 HydrophobicContact CG1-CG1 3.93Å; V382-I436 HydrophobicContact CG1-CG2 3.83Å |
| 383 | S | 90.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 135.7 | 179.4 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | L410 V437 T443 S444 H445 | S383-L410 CarbonylContact C-O 3.17Å; S383-L410 WeakPolarHBondContact CA-O 3.34Å; S383-V437 PolarHBondContact O-N 3.42Å; S383-T443 WeakPolarHBondContact CB-OG1 3.49Å; S383-T443 PolarHBondContact OG-OG1 2.97Å; S383-S444 PolarHBondContact OG-O 2.91Å; S383-H445 PolarHBondContact N-CE1 2.94Å; S383-H445 PolarHBondContact N-ND1 3.15Å; S383-H445 PolarHBondContact O-CE1 2.96Å |
| 384 | A | 89.8 | Confident | 93.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 157 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V388 F409 L410 N435 | A384-V388 HydrophobicContact CB-CB 3.63Å; A384-V388 HydrophobicContact CB-CG1 3.44Å; A384-V388 VanDerWaalsContact CB-CG1 3.44Å; A384-V388 HydrophobicContact CB-CG2 4.29Å; A384-F409 WeakPolarHBondContact O-CA 3.34Å; A384-L410 HydrophobicContact CB-CD1 4.25Å; A384-L410 HydrophobicContact CB-CG 4.24Å; A384-L410 PolarHBondContact N-O 3.01Å; A384-L410 PolarHBondContact O-N 3.26Å; A384-N435 CarbonylContact C-O 3.36Å; A384-N435 VanDerWaalsContact CA-O 3.26Å; A384-N435 WeakPolarHBondContact CA-O 3.35Å; A384-N435 WeakPolarHBondContact CB-O 3.34Å |
| 385 | K | 86.7 | Confident | 93.3 | Very high | 126 Ų | 126 | 23.5 Ų | 23.5 | 55% | 0.548 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -17.2 | 176.9 | -70.4 | -170.5 | 176.5 | 177.9 | 0 | 114.1 | S408 F409 N435 V437 | K385-S408 CarbonylContact C-O 3.48Å; K385-S408 CarbonylContact O-C 3.6Å; K385-F409 HydrophobicContact CG-CD1 4.31Å; K385-F409 HydrophobicContact CG-CE1 3.82Å; K385-F409 HydrophobicContact CG-CZ 4.26Å; K385-N435 PolarHBondContact N-O 3.19Å; K385-V437 HydrophobicContact CG-CG2 3.85Å |
| 386 | S | 85.8 | Confident | 93.2 | Very high | 37 Ų | 37 | 28.3 Ų | 28.3 | 26% | 0.259 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | -132.2 | -177.8 | 66.9 | 0 | 0 | 0 | 0 | 110 | V388 S406 L410 N435 | S386-V388 PolarHBondContact O-N 3.09Å; S386-S406 VanDerWaalsContact CA-O 3.31Å; S386-S406 WeakPolarHBondContact CA-O 3.41Å; S386-L410 WeakPolarHBondContact O-CD2 3.34Å; S386-N435 VanDerWaalsContact OG-CB 3.25Å; S386-N435 WeakPolarHBondContact OG-CB 3.06Å; S386-N435 PolarHBondContact OG-ND2 3.16Å |
| 387 | R | 89.3 | Confident | 93.2 | Very high | 104 Ų | 104 | 35.6 Ų | 35.6 | 39% | 0.392 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 126.4 | 177.7 | -169.4 | 176 | 179.2 | 169.3 | 1.3 | 111.3 | D404 Y433 N435 | R387-D404 WeakPolarHBondContact CA-O 3.31Å; R387-Y433 HydrophobicContact CG-CD1 4.27Å; R387-Y433 HydrophobicContact CG-CG 4.11Å; R387-Y433 VanDerWaalsContact CZ-CE2 3.46Å; R387-N435 PolarHBondContact O-ND2 3.39Å |
| 388 | V | 92.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 138.2 | 174.3 | 63.6 | 0 | 0 | 0 | 0 | 109.8 | A384 S386 L390 C403 D404 L410 T412 Y433 I436 | A384-V388 HydrophobicContact CB-CB 3.63Å; A384-V388 HydrophobicContact CB-CG1 3.44Å; A384-V388 VanDerWaalsContact CB-CG1 3.44Å; A384-V388 HydrophobicContact CB-CG2 4.29Å; S386-V388 PolarHBondContact O-N 3.09Å; V388-L390 HydrophobicContact CG2-CD2 3.96Å; V388-L390 HydrophobicContact CG2-CG 4.06Å; V388-C403 WeakPolarHBondContact O-CA 3.32Å; V388-D404 PolarHBondContact N-O 2.88Å; V388-D404 PolarHBondContact O-N 3.43Å; V388-D404 VanDerWaalsContact O-O 3.12Å; V388-L410 HydrophobicContact CG1-CD1 3.95Å; V388-T412 HydrophobicContact CG1-CG2 3.68Å; V388-Y433 CarbonylContact C-O 3.59Å; V388-Y433 WeakPolarHBondContact CA-O 3.34Å; V388-I436 HydrophobicContact CG2-CG1 3.92Å |
| 389 | C | 93.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 125.9 | 174.5 | -70 | 0 | 0 | 0 | 0 | 108.9 | M401 L402 C403 S431 Y433 | C389-M401 HydrophobicContact CB-SD 4.31Å; C389-L402 CarbonylContact C-O 3.4Å; C389-L402 WeakPolarHBondContact CA-O 3.27Å; C389-C403 HydrophobicContact CB-CB 4.16Å; C389-C403 WeakPolarHBondContact CB-SG 3.45Å; C389-C403 WeakPolarHBondContact SG-CB 3.35Å; C389-C403 CovalentContact SG-SG 2.03Å; C389-C403 PolarHBondContact SG-SG 3.4Å; C389-S431 WeakPolarHBondContact O-CB 3.32Å; C389-S431 PolarHBondContact O-N 3.16Å; C389-Y433 HydrophobicContact CB-CD2 4.46Å; C389-Y433 PolarHBondContact N-O 2.04Å |
| 390 | L | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 141.9 | -176.7 | -59 | 179.3 | 0 | 0 | 0 | 109.9 | I344 F380 V382 V388 M401 L402 T412 V428 I436 | I344-L390 HydrophobicContact CD1-CD2 3.62Å; F380-L390 HydrophobicContact CD2-CD1 3.97Å; F380-L390 HydrophobicContact CE2-CB 4.01Å; F380-L390 HydrophobicContact CE2-CD1 3.65Å; F380-L390 HydrophobicContact CE2-CG 4.49Å; F380-L390 HydrophobicContact CZ-CB 4.17Å; V382-L390 HydrophobicContact CB-CD1 3.58Å; V382-L390 HydrophobicContact CG1-CD1 4.02Å; V382-L390 HydrophobicContact CG2-CD1 3.57Å; V388-L390 HydrophobicContact CG2-CD2 3.96Å; V388-L390 HydrophobicContact CG2-CG 4.06Å; L390-M401 WeakPolarHBondContact O-CA 3.5Å; L390-L402 PolarHBondContact N-O 3.24Å; L390-L402 PolarHBondContact O-N 3.38Å; L390-T412 HydrophobicContact CD1-CG2 3.39Å; L390-T412 HydrophobicContact CG-CG2 4.12Å; L390-V428 HydrophobicContact CB-CG1 4.2Å; L390-I436 HydrophobicContact CD2-CD1 4.22Å |
| 391 | K | 96.1 | Very high | 92.9 | Very high | 26 Ų | 26 | 47.3 Ų | 47.3 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 139.5 | 177.4 | -57.4 | 170 | -175.6 | 169.1 | 0 | 109.9 | M393 E398 F400 M401 V428 E429 | K391-M393 HydrophobicContact CB-CG 4.43Å; K391-M393 HydrophobicContact CB-SD 3.85Å; K391-M393 HydrophobicContact CD-SD 4.1Å; K391-E398 HydrophobicContact CB-CG 4.26Å; K391-E398 HydrophobicContact CD-CG 4.3Å; K391-E398 WeakPolarHBondContact CD-OE2 3.35Å; K391-E398 WeakPolarHBondContact CE-OE2 3.35Å; K391-E398 HydrophobicContact CG-CG 4.27Å; K391-E398 IonicContact NZ-OE2 3.97Å; K391-F400 WeakPolarHBondContact CA-O 3.29Å; K391-M401 HydrophobicContact CD-CE 4.09Å; K391-M401 VanDerWaalsContact CE-CE 3.42Å; K391-M401 HydrophobicContact CG-CB 4.1Å; K391-M401 HydrophobicContact CG-CE 3.87Å; K391-M401 HydrophobicContact CG-CG 3.9Å; K391-M401 HydrophobicContact CG-SD 4.45Å; K391-V428 CarbonylContact O-C 3.55Å; K391-V428 WeakPolarHBondContact O-CA 3.16Å; K391-E429 HydrophobicContact CB-CB 4.3Å; K391-E429 WeakPolarHBondContact CD-OE1 3.44Å; K391-E429 PolarHBondContact N-O 3.33Å; K391-E429 IonicContact NZ-OE1 3.78Å; K391-E429 PolarHBondContact NZ-OE1 3.11Å; K391-E429 PolarHBondContact O-N 2.91Å |
| 392 | L | 97.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 121.1 | 163.5 | -171.1 | 69.4 | 0 | 0 | 0 | 108.6 | F378 F380 H399 F400 A416 L418 I426 V428 F447 | F378-L392 HydrophobicContact CB-CD2 4.48Å; F380-L392 HydrophobicContact CE1-CB 4.43Å; L392-H399 WeakPolarHBondContact O-CB 3.25Å; L392-H399 PolarHBondContact O-N 3.4Å; L392-F400 HydrophobicContact CB-CD1 4.11Å; L392-F400 HydrophobicContact CB-CE1 3.63Å; L392-F400 HydrophobicContact CB-CE2 4.17Å; L392-F400 HydrophobicContact CB-CZ 3.68Å; L392-F400 HydrophobicContact CD2-CD1 4.34Å; L392-F400 HydrophobicContact CD2-CE1 3.53Å; L392-F400 HydrophobicContact CD2-CZ 4.07Å; L392-F400 HydrophobicContact CG-CE1 4.23Å; L392-F400 HydrophobicContact CG-CZ 4.49Å; L392-F400 PolarHBondContact N-O 3Å; L392-A416 HydrophobicContact CD2-CB 3.84Å; L392-L418 HydrophobicContact CD2-CD1 4.15Å; L392-I426 HydrophobicContact CD1-CG2 3.95Å; L392-I426 HydrophobicContact CG-CG2 4.49Å; L392-V428 HydrophobicContact CD1-CG2 4.21Å; L392-F447 HydrophobicContact CD1-CE2 4.28Å; L392-F447 HydrophobicContact CD1-CZ 4.35Å |
| 393 | M | 97.7 | Very high | 92.7 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 5% | 0.054 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138.8 | -176.1 | -56.4 | -60.2 | -73.5 | 0 | 0 | 110.6 | K391 K397 E398 I426 Y427 E429 | K391-M393 HydrophobicContact CB-CG 4.43Å; K391-M393 HydrophobicContact CB-SD 3.85Å; K391-M393 HydrophobicContact CD-SD 4.1Å; M393-K397 WeakPolarHBondContact CA-O 3.14Å; M393-E398 HydrophobicContact CE-CB 4.38Å; M393-E398 HydrophobicContact SD-CB 3.92Å; M393-E398 HydrophobicContact SD-CG 4.25Å; M393-I426 WeakPolarHBondContact O-CA 3.46Å; M393-Y427 HydrophobicContact CB-CD1 4.09Å; M393-Y427 HydrophobicContact CB-CD2 3.91Å; M393-Y427 HydrophobicContact CB-CE1 3.75Å; M393-Y427 HydrophobicContact CB-CE2 3.56Å; M393-Y427 HydrophobicContact CB-CG 4.17Å; M393-Y427 VanDerWaalsContact CB-CZ 3.47Å; M393-Y427 HydrophobicContact CG-CD2 3.98Å; M393-Y427 HydrophobicContact CG-CE2 3.47Å; M393-Y427 VanDerWaalsContact CG-CE2 3.47Å; M393-Y427 PolarHBondContact N-O 2.83Å; M393-Y427 PolarHBondContact O-N 3.2Å; M393-E429 HydrophobicContact CG-CB 3.76Å; M393-E429 HydrophobicContact SD-CB 4.49Å |
| 394 | K | 96.9 | Very high | 92.6 | Very high | 59 Ų | 59 | 54 Ų | 54 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 103.7 | 165.4 | 179.4 | 176.8 | -179.2 | 176.5 | 0 | 108.6 | S396 K397 D419 L420 D424 K425 I426 | K394-S396 PolarHBondContact O-N 3.05Å; K394-K397 PolarHBondContact N-O 3.14Å; K394-K397 WeakPolarHBondContact O-CB 3.25Å; K394-K397 PolarHBondContact O-N 3.07Å; K394-D419 PolarHBondContact NZ-O 3.19Å; K394-L420 HydrophobicContact CD-CD2 4.05Å; K394-D424 WeakPolarHBondContact CE-OD2 3.43Å; K394-D424 IonicContact NZ-OD2 2.96Å; K394-D424 PolarHBondContact NZ-OD2 2.95Å; K394-K425 CarbonylContact C-O 3.6Å; K394-K425 WeakPolarHBondContact CA-O 3.48Å; K394-I426 HydrophobicContact CB-CD1 3.74Å; K394-I426 HydrophobicContact CD-CD1 4.36Å; K394-I426 HydrophobicContact CG-CD1 3.71Å |
| 395 | G | 94.1 | Very high | 92.4 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | -122.2 | -167 | 0 | 0 | 0 | 0 | 0 | 110 | K425 Y427 | G395-K425 PolarHBondContact N-O 3.15Å; G395-Y427 VanDerWaalsContact O-CE1 3.32Å; G395-Y427 WeakPolarHBondContact O-CE1 3.39Å; G395-Y427 PolarHBondContact O-OH 2.83Å; G395-Y427 VanDerWaalsContact O-OH 3.09Å |
| 396 | S | 93.1 | Very high | 92.2 | Very high | 119 Ų | 119 | 53.4 Ų | 53.4 | 83% | 0.832 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -4.9 | 174.9 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | K394 | K394-S396 PolarHBondContact O-N 3.05Š|
| 397 | K | 95.3 | Very high | 91.9 | Very high | 153 Ų | 153 | 57 Ų | 57 | 67% | 0.665 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.7 | -175.1 | -173.8 | 176.4 | 178.6 | 178.9 | 0 | 110.8 | M393 K394 H399 | M393-K397 WeakPolarHBondContact CA-O 3.14Å; K394-K397 PolarHBondContact N-O 3.14Å; K394-K397 WeakPolarHBondContact O-CB 3.25Å; K394-K397 PolarHBondContact O-N 3.07Å; K397-H399 PolarHBondContact O-N 3.46Å |
| 398 | E | 94.8 | Very high | 91.4 | Very high | 81 Ų | 81 | 52.6 Ų | 52.6 | 38% | 0.379 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 119.5 | 165.8 | -175.2 | -179.9 | 126.7 | 0 | 0 | 109.1 | K391 M393 M401 | K391-E398 HydrophobicContact CB-CG 4.26Å; K391-E398 HydrophobicContact CD-CG 4.3Å; K391-E398 WeakPolarHBondContact CD-OE2 3.35Å; K391-E398 WeakPolarHBondContact CE-OE2 3.35Å; K391-E398 HydrophobicContact CG-CG 4.27Å; K391-E398 IonicContact NZ-OE2 3.97Å; M393-E398 HydrophobicContact CE-CB 4.38Å; M393-E398 HydrophobicContact SD-CB 3.92Å; M393-E398 HydrophobicContact SD-CG 4.25Å; E398-M401 WeakPolarHBondContact OE1-CB 3.42Å; E398-M401 VanDerWaalsContact OE2-CE 3.32Å; E398-M401 WeakPolarHBondContact OE2-CE 3.26Å |
| 399 | H | 92.9 | Very high | 90.9 | Very high | 93 Ų | 93 | 56.1 Ų | 56.1 | 43% | 0.431 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -45.7 | 175.9 | -173.1 | 62.2 | 0 | 0 | 0 | 111.3 | L392 K397 L418 | L392-H399 WeakPolarHBondContact O-CB 3.25Å; L392-H399 PolarHBondContact O-N 3.4Å; K397-H399 PolarHBondContact O-N 3.46Å; H399-L418 VanDerWaalsContact CE1-CD2 3.46Å; H399-L418 WeakPolarHBondContact CE1-CD2 3.15Å; H399-L418 VanDerWaalsContact NE2-CD2 3.33Å; H399-L418 WeakPolarHBondContact NE2-CD2 3.05Å |
| 400 | F | 92.8 | Very high | 90.6 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 19% | 0.189 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 161.9 | 167.5 | 67.8 | -102.7 | 0 | 0 | 0 | 110.6 | F380 K391 L392 L402 A416 | F380-F400 AromaticContact CE1-CE2 3.98Å; F380-F400 HydrophobicContact CE1-CE2 3.98Å; F380-F400 AromaticContact CE1-CZ 3.76Å; F380-F400 HydrophobicContact CE1-CZ 3.76Å; F380-F400 AromaticContact CZ-CE2 3.94Å; F380-F400 HydrophobicContact CZ-CE2 3.94Å; F380-F400 HydrophobicContact CZ-CZ 4.17Å; K391-F400 WeakPolarHBondContact CA-O 3.29Å; L392-F400 HydrophobicContact CB-CD1 4.11Å; L392-F400 HydrophobicContact CB-CE1 3.63Å; L392-F400 HydrophobicContact CB-CE2 4.17Å; L392-F400 HydrophobicContact CB-CZ 3.68Å; L392-F400 HydrophobicContact CD2-CD1 4.34Å; L392-F400 HydrophobicContact CD2-CE1 3.53Å; L392-F400 HydrophobicContact CD2-CZ 4.07Å; L392-F400 HydrophobicContact CG-CE1 4.23Å; L392-F400 HydrophobicContact CG-CZ 4.49Å; L392-F400 PolarHBondContact N-O 3Å; F400-L402 HydrophobicContact CD2-CD1 4.06Å; F400-L402 HydrophobicContact CD2-CG 3.72Å; F400-L402 HydrophobicContact CE2-CD1 3.48Å; F400-L402 VanDerWaalsContact CE2-CD1 3.48Å; F400-L402 HydrophobicContact CE2-CG 3.66Å; F400-L402 HydrophobicContact CZ-CD1 4.3Å; F400-A416 HydrophobicContact CD1-CB 4.26Å; F400-A416 HydrophobicContact CE1-CB 3.67Å |
| 401 | M | 92.4 | Very high | 90.3 | Very high | 75 Ų | 75 | 58.2 Ų | 58.2 | 37% | 0.369 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.4 | 166.8 | -172.7 | -176.8 | -42.4 | 0 | 0 | 110.4 | C389 L390 K391 E398 | C389-M401 HydrophobicContact CB-SD 4.31Å; L390-M401 WeakPolarHBondContact O-CA 3.5Å; K391-M401 HydrophobicContact CD-CE 4.09Å; K391-M401 VanDerWaalsContact CE-CE 3.42Å; K391-M401 HydrophobicContact CG-CB 4.1Å; K391-M401 HydrophobicContact CG-CE 3.87Å; K391-M401 HydrophobicContact CG-CG 3.9Å; K391-M401 HydrophobicContact CG-SD 4.45Å; E398-M401 WeakPolarHBondContact OE1-CB 3.42Å; E398-M401 VanDerWaalsContact OE2-CE 3.32Å; E398-M401 WeakPolarHBondContact OE2-CE 3.26Å |
| 402 | L | 90.9 | Very high | 89.9 | Confident | 65 Ų | 65 | 57 Ų | 57 | 34% | 0.34 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.2 | 171.3 | -67.1 | 170.8 | 0 | 0 | 0 | 109.4 | F380 C389 L390 F400 S413 | F380-L402 HydrophobicContact CZ-CD1 4.43Å; C389-L402 CarbonylContact C-O 3.4Å; C389-L402 WeakPolarHBondContact CA-O 3.27Å; L390-L402 PolarHBondContact N-O 3.24Å; L390-L402 PolarHBondContact O-N 3.38Å; F400-L402 HydrophobicContact CD2-CD1 4.06Å; F400-L402 HydrophobicContact CD2-CG 3.72Å; F400-L402 HydrophobicContact CE2-CD1 3.48Å; F400-L402 VanDerWaalsContact CE2-CD1 3.48Å; F400-L402 HydrophobicContact CE2-CG 3.66Å; F400-L402 HydrophobicContact CZ-CD1 4.3Å; L402-S413 WeakPolarHBondContact CD1-O 3.36Å |
| 403 | C | 89.8 | Confident | 89.6 | Confident | 53 Ų | 53 | 59.3 Ų | 59.3 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 122.8 | 179.2 | -72.1 | 0 | 0 | 0 | 0 | 110 | V388 C389 | V388-C403 WeakPolarHBondContact O-CA 3.32Å; C389-C403 HydrophobicContact CB-CB 4.16Å; C389-C403 WeakPolarHBondContact CB-SG 3.45Å; C389-C403 WeakPolarHBondContact SG-CB 3.35Å; C389-C403 CovalentContact SG-SG 2.03Å; C389-C403 PolarHBondContact SG-SG 3.4Å |
| 404 | D | 87.9 | Confident | 89.1 | Confident | 57 Ų | 57 | 59 Ų | 59 | 31% | 0.305 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 151.3 | 172.3 | -73.5 | -43.6 | 0 | 0 | 0 | 110.4 | R387 V388 L410 T412 | R387-D404 WeakPolarHBondContact CA-O 3.31Å; V388-D404 PolarHBondContact N-O 2.88Å; V388-D404 PolarHBondContact O-N 3.43Å; V388-D404 VanDerWaalsContact O-O 3.12Å; D404-L410 HydrophobicContact CB-CD1 3.78Å; D404-L410 HydrophobicContact CB-CD2 4.2Å; D404-T412 VanDerWaalsContact OD2-CB 3.25Å; D404-T412 WeakPolarHBondContact OD2-CB 3.34Å; D404-T412 PolarHBondContact OD2-OG1 2.93Å |
| 405 | S | 85.4 | Confident | 88.9 | Confident | 87 Ų | 87 | 59.1 Ų | 59.1 | 61% | 0.608 | 34% | 0.337 | S | S | * | . | trans | -144.6 | 138.2 | 179.3 | -167.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 406 | S | 83 | Confident | 88.9 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 19% | 0.189 | 33% | 0.327 | C | S | . | . | trans | -144.4 | 157.9 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | S386 S408 L410 | S386-S406 VanDerWaalsContact CA-O 3.31Å; S386-S406 WeakPolarHBondContact CA-O 3.41Å; S406-S408 PolarHBondContact O-N 3.05Å; S406-S408 PolarHBondContact OG-N 3.43Å; S406-L410 VanDerWaalsContact CB-CD2 3.49Å | ||
| 407 | D | 78.6 | Confident | 89 | Confident | 111 Ų | 111 | 56.7 Ų | 56.7 | 59% | 0.594 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -80.9 | 1.6 | 171.7 | -60.8 | -34.9 | 0 | 0 | 0 | 111.5 | K193 | K193-D407 WeakPolarHBondContact CE-OD2 3.48Å; K193-D407 IonicContact NZ-OD2 3.65Å |
| 408 | S | 79.9 | Confident | 88.9 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 8% | 0.084 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -150 | -152.5 | 177.2 | -161.7 | 0 | 0 | 0 | 0 | 111 | N189 K385 S406 | N189-S408 PolarHBondContact ND2-OG 2.76Å; N189-S408 WeakPolarHBondContact O-CB 3.42Å; K385-S408 CarbonylContact C-O 3.48Å; K385-S408 CarbonylContact O-C 3.6Å; S406-S408 PolarHBondContact O-N 3.05Å; S406-S408 PolarHBondContact OG-N 3.43Å |
| 409 | F | 82 | Confident | 89 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 33% | 0.329 | 29% | 0.287 | S | S | . | . | trans | -70.1 | 135.6 | -178.5 | -68.1 | -91.1 | 0 | 0 | 0 | 111.8 | D188 N189 A384 K385 V437 | D188-F409 VanDerWaalsContact OD1-O 3.05Å; N189-F409 HydrophobicContact CB-CB 4.18Å; N189-F409 PolarHBondContact N-O 3.11Å; N189-F409 VanDerWaalsContact N-O 3.07Å; A384-F409 WeakPolarHBondContact O-CA 3.34Å; K385-F409 HydrophobicContact CG-CD1 4.31Å; K385-F409 HydrophobicContact CG-CE1 3.82Å; K385-F409 HydrophobicContact CG-CZ 4.26Å; F409-V437 HydrophobicContact CD1-CG2 3.94Å; F409-V437 HydrophobicContact CE1-CG2 3.9Å | ||
| 410 | L | 86.2 | Confident | 89.1 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 161.3 | 172.9 | 72.7 | 88.3 | 0 | 0 | 0 | 110.2 | S383 A384 S386 V388 D404 S406 | S383-L410 CarbonylContact C-O 3.17Å; S383-L410 WeakPolarHBondContact CA-O 3.34Å; A384-L410 HydrophobicContact CB-CD1 4.25Å; A384-L410 HydrophobicContact CB-CG 4.24Å; A384-L410 PolarHBondContact N-O 3.01Å; A384-L410 PolarHBondContact O-N 3.26Å; S386-L410 WeakPolarHBondContact O-CD2 3.34Å; V388-L410 HydrophobicContact CG1-CD1 3.95Å; D404-L410 HydrophobicContact CB-CD1 3.78Å; D404-L410 HydrophobicContact CB-CD2 4.2Å; S406-L410 VanDerWaalsContact CB-CD2 3.49Å |
| 411 | V | 88.1 | Confident | 89.3 | Confident | 34 Ų | 34 | 48.2 Ų | 48.2 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117.2 | 168.5 | 179.8 | 0 | 0 | 0 | 0 | 107.2 | F186 C187 H381 | F186-V411 HydrophobicContact CB-CG2 4.06Å; F186-V411 HydrophobicContact CD1-CG1 4Å; F186-V411 HydrophobicContact CD1-CG2 4.4Å; C187-V411 WeakPolarHBondContact O-CG2 3.46Å; H381-V411 HydrophobicContact CB-CG1 4.26Å |
| 412 | T | 89.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 139.3 | 172.1 | -167.7 | 0 | 0 | 0 | 0 | 108.7 | H381 V382 V388 L390 D404 | H381-T412 WeakPolarHBondContact CA-O 3.47Å; V382-T412 HydrophobicContact CB-CG2 4.09Å; V382-T412 PolarHBondContact N-O 3.07Å; V382-T412 WeakPolarHBondContact O-CG2 3.31Å; V382-T412 PolarHBondContact O-N 2.81Å; V388-T412 HydrophobicContact CG1-CG2 3.68Å; L390-T412 HydrophobicContact CD1-CG2 3.39Å; L390-T412 HydrophobicContact CG-CG2 4.12Å; D404-T412 VanDerWaalsContact OD2-CB 3.25Å; D404-T412 WeakPolarHBondContact OD2-CB 3.34Å; D404-T412 PolarHBondContact OD2-OG1 2.93Å |
| 413 | S | 90.1 | Very high | 89.5 | Confident | 49 Ų | 49 | 47.8 Ų | 47.8 | 34% | 0.343 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 142.2 | -179.7 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | F380 H381 L402 | F380-S413 WeakPolarHBondContact O-CA 3.18Å; F380-S413 WeakPolarHBondContact O-CB 3.41Å; H381-S413 VanDerWaalsContact ND1-CB 3.34Å; H381-S413 WeakPolarHBondContact ND1-CB 3.02Å; L402-S413 WeakPolarHBondContact CD1-O 3.36Å |
| 414 | G | 88.6 | Confident | 89.9 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 148.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | S379 F380 | S379-G414 WeakPolarHBondContact CA-O 3.42Å; F380-G414 PolarHBondContact N-O 2.92Å; F380-G414 PolarHBondContact O-N 3.24Å; F380-G414 VanDerWaalsContact O-N 3.16Å |
| 415 | S | 92.8 | Very high | 90.3 | Very high | 63 Ų | 63 | 49.6 Ų | 49.6 | 44% | 0.441 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 147.7 | 176.2 | -44.6 | 0 | 0 | 0 | 0 | 110.6 | F378 S379 | F378-S415 CarbonylContact O-C 3.55Å; F378-S415 WeakPolarHBondContact O-CA 3.1Å; F378-S415 WeakPolarHBondContact O-CB 3.48Å; S379-S415 PolarHBondContact OG-OG 3.11Å; S379-S415 VanDerWaalsContact OG-OG 3.06Å |
| 416 | A | 92.8 | Very high | 90.9 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 155.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F378 L392 F400 L418 | F378-A416 PolarHBondContact N-O 3.04Å; F378-A416 PolarHBondContact O-N 3.04Å; L392-A416 HydrophobicContact CD2-CB 3.84Å; F400-A416 HydrophobicContact CD1-CB 4.26Å; F400-A416 HydrophobicContact CE1-CB 3.67Å; A416-L418 HydrophobicContact CB-CG 4.45Å |
| 417 | V | 95.3 | Very high | 91.6 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 52% | 0.515 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.1 | 167.9 | 179 | 0 | 0 | 0 | 0 | 107.3 | V375 Y376 F377 I452 | V375-V417 HydrophobicContact CG1-CG1 3.35Å; Y376-V417 CarbonylContact O-C 3.55Å; Y376-V417 VanDerWaalsContact O-CA 3.26Å; Y376-V417 WeakPolarHBondContact O-CA 3.45Å; F377-V417 HydrophobicContact CD2-CG2 3.97Å; V417-I452 HydrophobicContact CG1-CD1 4.12Å; V417-I452 HydrophobicContact CG2-CD1 4.36Å |
| 418 | L | 94.3 | Very high | 92.5 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.7 | -176.1 | -65.1 | 179.5 | 0 | 0 | 0 | 110.4 | V375 Y376 F378 L392 H399 A416 L420 I426 | V375-L418 WeakPolarHBondContact CA-O 3.35Å; Y376-L418 PolarHBondContact N-O 2.89Å; Y376-L418 PolarHBondContact O-N 2.97Å; F378-L418 HydrophobicContact CD2-CB 4.36Å; F378-L418 HydrophobicContact CD2-CD1 3.89Å; F378-L418 HydrophobicContact CD2-CG 4.25Å; F378-L418 HydrophobicContact CE2-CB 4.18Å; F378-L418 HydrophobicContact CE2-CD1 4.04Å; F378-L418 HydrophobicContact CE2-CG 4.47Å; L392-L418 HydrophobicContact CD2-CD1 4.15Å; H399-L418 VanDerWaalsContact CE1-CD2 3.46Å; H399-L418 WeakPolarHBondContact CE1-CD2 3.15Å; H399-L418 VanDerWaalsContact NE2-CD2 3.33Å; H399-L418 WeakPolarHBondContact NE2-CD2 3.05Å; A416-L418 HydrophobicContact CB-CG 4.45Å; L418-L420 HydrophobicContact CB-CD2 3.9Å; L418-L420 HydrophobicContact CB-CG 4.37Å; L418-I426 HydrophobicContact CD1-CD1 3.93Å |
| 419 | D | 95.4 | Very high | 93.3 | Very high | 89 Ų | 89 | 40.9 Ų | 40.9 | 48% | 0.476 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 126.5 | 164.7 | -167.4 | 13.3 | 0 | 0 | 0 | 109.4 | V375 K394 | V375-D419 HydrophobicContact CG2-CB 4.4Å; K394-D419 PolarHBondContact NZ-O 3.19Å |
| 420 | L | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137 | -172.2 | -58.8 | -170.7 | 0 | 0 | 0 | 111.8 | F368 C370 K373 G374 Y376 F378 K394 L418 D424 I426 | F368-L420 HydrophobicContact CE1-CD1 4.04Å; C370-L420 HydrophobicContact CB-CB 4.2Å; C370-L420 HydrophobicContact CB-CD1 4.17Å; K373-L420 WeakPolarHBondContact CA-O 3.37Å; K373-L420 WeakPolarHBondContact CG-O 3.02Å; G374-L420 PolarHBondContact N-O 2.82Å; G374-L420 PolarHBondContact O-N 3.1Å; Y376-L420 HydrophobicContact CD2-CB 4.03Å; Y376-L420 HydrophobicContact CD2-CD1 3.66Å; Y376-L420 HydrophobicContact CD2-CG 3.89Å; Y376-L420 HydrophobicContact CE2-CB 4.25Å; Y376-L420 HydrophobicContact CE2-CD1 4.15Å; Y376-L420 HydrophobicContact CG-CD1 3.89Å; Y376-L420 HydrophobicContact CG-CG 4.43Å; F378-L420 HydrophobicContact CE2-CD1 3.83Å; F378-L420 HydrophobicContact CZ-CD1 3.67Å; K394-L420 HydrophobicContact CD-CD2 4.05Å; L418-L420 HydrophobicContact CB-CD2 3.9Å; L418-L420 HydrophobicContact CB-CG 4.37Å; L420-D424 WeakPolarHBondContact CA-OD2 3.4Å; L420-D424 HydrophobicContact CB-CB 4.36Å; L420-D424 HydrophobicContact CD2-CB 4.24Å; L420-I426 HydrophobicContact CD1-CD1 4.35Å; L420-I426 HydrophobicContact CD1-CG1 3.86Å; L420-I426 HydrophobicContact CD2-CD1 3.68Å; L420-I426 HydrophobicContact CD2-CG1 4.12Å |
| 421 | E | 96 | Very high | 94.2 | Very high | 94 Ų | 94 | 37.4 Ų | 37.4 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | trans | -91 | 157.1 | 167.4 | -66.2 | -65.3 | 167.1 | 0 | 0 | 110.5 | C370 K373 G423 D424 | C370-E421 VanDerWaalsContact CB-O 3.26Å; C370-E421 WeakPolarHBondContact CB-O 3.3Å; C370-E421 PolarHBondContact SG-O 2.87Å; K373-E421 VanDerWaalsContact CD-OE2 3.3Å; K373-E421 WeakPolarHBondContact CD-OE2 3.21Å; K373-E421 VanDerWaalsContact CE-OE1 3.22Å; K373-E421 WeakPolarHBondContact CE-OE1 3.46Å; K373-E421 VanDerWaalsContact CE-OE2 3.26Å; K373-E421 WeakPolarHBondContact CE-OE2 3.12Å; K373-E421 WeakPolarHBondContact CG-OE2 3.44Å; K373-E421 IonicContact NZ-OE1 3.81Å; K373-E421 IonicContact NZ-OE2 3.11Å; E421-G423 PolarHBondContact O-N 2.75Å; E421-D424 PolarHBondContact N-OD2 2.89Å; E421-D424 VanDerWaalsContact O-CB 3.3Å; E421-D424 WeakPolarHBondContact O-CB 3.45Å; E421-D424 PolarHBondContact O-N 2.83Å; E421-D424 VanDerWaalsContact O-N 3.08Å | ||
| 422 | V | 94.6 | Very high | 94.3 | Very high | 98 Ų | 98 | 42.4 Ų | 42.4 | 59% | 0.594 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 128.9 | 176.1 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | K373 | K373-V422 HydrophobicContact CB-CG2 4.15Š|
| 423 | G | 94.1 | Very high | 94.4 | Very high | 33 Ų | 33 | 45.9 Ų | 45.9 | 34% | 0.34 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -11.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | C370 E421 K425 | C370-G423 PolarHBondContact O-N 3.22Å; E421-G423 PolarHBondContact O-N 2.75Å; G423-K425 PolarHBondContact O-N 3.48Å |
| 424 | D | 97 | Very high | 94.4 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 20% | 0.203 | 24% | 0.242 | C | C | . | . | trans | -56.9 | 138.1 | 173.8 | -84.3 | -27.6 | 0 | 0 | 0 | 111.2 | Q369 C370 K394 L420 E421 | Q369-D424 WeakPolarHBondContact CA-O 3.34Å; C370-D424 HydrophobicContact CB-CB 4.06Å; C370-D424 WeakPolarHBondContact CB-O 3.22Å; C370-D424 PolarHBondContact N-O 3.29Å; K394-D424 WeakPolarHBondContact CE-OD2 3.43Å; K394-D424 IonicContact NZ-OD2 2.96Å; K394-D424 PolarHBondContact NZ-OD2 2.95Å; L420-D424 WeakPolarHBondContact CA-OD2 3.4Å; L420-D424 HydrophobicContact CB-CB 4.36Å; L420-D424 HydrophobicContact CD2-CB 4.24Å; E421-D424 PolarHBondContact N-OD2 2.89Å; E421-D424 VanDerWaalsContact O-CB 3.3Å; E421-D424 WeakPolarHBondContact O-CB 3.45Å; E421-D424 PolarHBondContact O-N 2.83Å; E421-D424 VanDerWaalsContact O-N 3.08Å | ||
| 425 | K | 97.2 | Very high | 94.4 | Very high | 110 Ų | 110 | 48.9 Ų | 48.9 | 48% | 0.478 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.9 | -178.4 | -67.9 | -178.1 | -177.1 | 178.4 | 0 | 110.9 | T367 F368 K394 G395 G423 | T367-K425 HydrophobicContact CG2-CB 3.81Å; T367-K425 HydrophobicContact CG2-CD 4.36Å; T367-K425 HydrophobicContact CG2-CG 4.19Å; F368-K425 CarbonylContact O-C 3.5Å; F368-K425 VanDerWaalsContact O-CA 3.29Å; F368-K425 WeakPolarHBondContact O-CA 3.35Å; K394-K425 CarbonylContact C-O 3.6Å; K394-K425 WeakPolarHBondContact CA-O 3.48Å; G395-K425 PolarHBondContact N-O 3.15Å; G423-K425 PolarHBondContact O-N 3.48Å |
| 426 | I | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.3 | 178.5 | -50 | -61.4 | 0 | 0 | 0 | 110.1 | F368 F378 L392 M393 K394 L418 L420 F447 | F368-I426 HydrophobicContact CB-CB 4.36Å; F368-I426 HydrophobicContact CD1-CB 4.2Å; F368-I426 HydrophobicContact CD1-CG1 4.17Å; F368-I426 PolarHBondContact N-O 3.31Å; F368-I426 PolarHBondContact O-N 3.38Å; F378-I426 HydrophobicContact CD1-CG2 4.06Å; F378-I426 HydrophobicContact CD2-CG2 4.35Å; F378-I426 HydrophobicContact CE1-CB 4.13Å; F378-I426 HydrophobicContact CE1-CG1 4.29Å; F378-I426 HydrophobicContact CE1-CG2 3.96Å; F378-I426 HydrophobicContact CE2-CG1 4.07Å; F378-I426 HydrophobicContact CE2-CG2 4.27Å; F378-I426 HydrophobicContact CG-CG2 4.25Å; F378-I426 HydrophobicContact CZ-CB 4.1Å; F378-I426 HydrophobicContact CZ-CG1 3.75Å; F378-I426 HydrophobicContact CZ-CG2 4.1Å; L392-I426 HydrophobicContact CD1-CG2 3.95Å; L392-I426 HydrophobicContact CG-CG2 4.49Å; M393-I426 WeakPolarHBondContact O-CA 3.46Å; K394-I426 HydrophobicContact CB-CD1 3.74Å; K394-I426 HydrophobicContact CD-CD1 4.36Å; K394-I426 HydrophobicContact CG-CD1 3.71Å; L418-I426 HydrophobicContact CD1-CD1 3.93Å; L420-I426 HydrophobicContact CD1-CD1 4.35Å; L420-I426 HydrophobicContact CD1-CG1 3.86Å; L420-I426 HydrophobicContact CD2-CD1 3.68Å; L420-I426 HydrophobicContact CD2-CG1 4.12Å; I426-F447 HydrophobicContact CG2-CZ 4.12Å |
| 427 | Y | 97.7 | Very high | 93.9 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 161 | 177 | 59.4 | -86.6 | 0 | 0 | 0 | 111.3 | P343 T367 M393 G395 E429 | P343-Y427 HydrophobicContact CB-CD2 3.77Å; P343-Y427 HydrophobicContact CB-CE2 4.33Å; P343-Y427 HydrophobicContact CB-CG 4.33Å; P343-Y427 HydrophobicContact CG-CD2 3.74Å; P343-Y427 HydrophobicContact CG-CE2 3.8Å; P343-Y427 HydrophobicContact CG-CG 4.43Å; T367-Y427 HydrophobicContact CG2-CD1 4.07Å; M393-Y427 HydrophobicContact CB-CD1 4.09Å; M393-Y427 HydrophobicContact CB-CD2 3.91Å; M393-Y427 HydrophobicContact CB-CE1 3.75Å; M393-Y427 HydrophobicContact CB-CE2 3.56Å; M393-Y427 HydrophobicContact CB-CG 4.17Å; M393-Y427 VanDerWaalsContact CB-CZ 3.47Å; M393-Y427 HydrophobicContact CG-CD2 3.98Å; M393-Y427 HydrophobicContact CG-CE2 3.47Å; M393-Y427 VanDerWaalsContact CG-CE2 3.47Å; M393-Y427 PolarHBondContact N-O 2.83Å; M393-Y427 PolarHBondContact O-N 3.2Å; G395-Y427 VanDerWaalsContact O-CE1 3.32Å; G395-Y427 WeakPolarHBondContact O-CE1 3.39Å; G395-Y427 PolarHBondContact O-OH 2.83Å; G395-Y427 VanDerWaalsContact O-OH 3.09Å; Y427-E429 HydrophobicContact CD2-CB 4.29Å; Y427-E429 HydrophobicContact CE2-CB 4.08Å |
| 428 | V | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 127.6 | 172.7 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | P343 I344 F346 F380 L390 K391 L392 F447 | P343-V428 WeakPolarHBondContact CA-O 3.49Å; I344-V428 HydrophobicContact CD1-CG1 4.1Å; I344-V428 PolarHBondContact N-O 3.28Å; F346-V428 HydrophobicContact CE2-CB 4.18Å; F346-V428 HydrophobicContact CE2-CG2 4.32Å; F380-V428 HydrophobicContact CB-CG2 4.04Å; F380-V428 HydrophobicContact CD1-CG1 4.4Å; F380-V428 HydrophobicContact CD1-CG2 3.66Å; F380-V428 HydrophobicContact CE1-CG2 4.32Å; F380-V428 HydrophobicContact CG-CG1 4.42Å; F380-V428 HydrophobicContact CG-CG2 3.96Å; L390-V428 HydrophobicContact CB-CG1 4.2Å; K391-V428 CarbonylContact O-C 3.55Å; K391-V428 WeakPolarHBondContact O-CA 3.16Å; L392-V428 HydrophobicContact CD1-CG2 4.21Å; V428-F447 HydrophobicContact CG2-CD1 4.36Å; V428-F447 HydrophobicContact CG2-CD2 3.9Å; V428-F447 HydrophobicContact CG2-CE1 4.41Å; V428-F447 HydrophobicContact CG2-CE2 3.94Å; V428-F447 HydrophobicContact CG2-CG 4.13Å; V428-F447 HydrophobicContact CG2-CZ 4.21Å |
| 429 | E | 96.1 | Very high | 92 | Very high | 19 Ų | 19 | 46.4 Ų | 46.4 | 9% | 0.089 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 140.4 | 179.9 | -174.2 | -173.3 | 107.2 | 0 | 0 | 110.4 | K391 M393 Y427 | K391-E429 HydrophobicContact CB-CB 4.3Å; K391-E429 WeakPolarHBondContact CD-OE1 3.44Å; K391-E429 PolarHBondContact N-O 3.33Å; K391-E429 IonicContact NZ-OE1 3.78Å; K391-E429 PolarHBondContact NZ-OE1 3.11Å; K391-E429 PolarHBondContact O-N 2.91Å; M393-E429 HydrophobicContact CG-CB 3.76Å; M393-E429 HydrophobicContact SD-CB 4.49Å; Y427-E429 HydrophobicContact CD2-CB 4.29Å; Y427-E429 HydrophobicContact CE2-CB 4.08Å |
| 430 | S | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 145.9 | 172.2 | 89.8 | 0 | 0 | 0 | 0 | 111 | E339 N341 M342 | E339-S430 PolarHBondContact O-OG 2.74Å; N341-S430 WeakPolarHBondContact CA-O 3.5Å; N341-S430 PolarHBondContact N-O 2.83Å; M342-S430 PolarHBondContact O-N 3.37Å |
| 431 | S | 92.8 | Very high | 88.6 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -173.3 | 173.1 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | C389 Y433 N434 | C389-S431 WeakPolarHBondContact O-CB 3.32Å; C389-S431 PolarHBondContact O-N 3.16Å; S431-Y433 PolarHBondContact O-N 3.3Å; S431-N434 WeakPolarHBondContact O-CB 3.42Å |
| 432 | K | 91.3 | Very high | 87 | Confident | 140 Ų | 140 | 51.6 Ų | 51.6 | 61% | 0.609 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.9 | -19.3 | 170.7 | 69.6 | -178.8 | -178.9 | -178.2 | 0 | 114.2 | T340 | T340-K432 HydrophobicContact CG2-CB 4.29Å |
| 433 | Y | 89.8 | Confident | 86.3 | Confident | 73 Ų | 73 | 47.3 Ų | 47.3 | 29% | 0.286 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 94.5 | 171.5 | -55.8 | -67 | 0 | 0 | 0 | 108.9 | R387 V388 C389 S431 | R387-Y433 HydrophobicContact CG-CD1 4.27Å; R387-Y433 HydrophobicContact CG-CG 4.11Å; R387-Y433 VanDerWaalsContact CZ-CE2 3.46Å; V388-Y433 CarbonylContact C-O 3.59Å; V388-Y433 WeakPolarHBondContact CA-O 3.34Å; C389-Y433 HydrophobicContact CB-CD2 4.46Å; C389-Y433 PolarHBondContact N-O 2.04Å; S431-Y433 PolarHBondContact O-N 3.3Å |
| 434 | N | 89.9 | Confident | 85.9 | Confident | 36 Ų | 36 | 46.8 Ų | 46.8 | 19% | 0.193 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 43.3 | -171.5 | 63.6 | -11.3 | 0 | 0 | 0 | 113.2 | V338 T340 S431 I436 | V338-N434 PolarHBondContact O-ND2 3.05Å; T340-N434 PolarHBondContact OG1-ND2 3.46Å; S431-N434 WeakPolarHBondContact O-CB 3.42Å; N434-I436 PolarHBondContact O-N 3.38Å |
| 435 | N | 89.7 | Confident | 85.7 | Confident | 79 Ų | 79 | 45.4 Ų | 45.4 | 42% | 0.422 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 47.2 | 177.4 | -66.5 | -65.5 | 0 | 0 | 0 | 113.7 | A384 K385 S386 R387 | A384-N435 CarbonylContact C-O 3.36Å; A384-N435 VanDerWaalsContact CA-O 3.26Å; A384-N435 WeakPolarHBondContact CA-O 3.35Å; A384-N435 WeakPolarHBondContact CB-O 3.34Å; K385-N435 PolarHBondContact N-O 3.19Å; S386-N435 VanDerWaalsContact OG-CB 3.25Å; S386-N435 WeakPolarHBondContact OG-CB 3.06Å; S386-N435 PolarHBondContact OG-ND2 3.16Å; R387-N435 PolarHBondContact O-ND2 3.39Å |
| 436 | I | 89.9 | Confident | 85.4 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 7% | 0.072 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 138.5 | -179 | -61.6 | 170.3 | 0 | 0 | 0 | 109.2 | V338 I344 V382 V388 L390 N434 V438 | V338-I436 HydrophobicContact CB-CD1 4.15Å; V338-I436 HydrophobicContact CG1-CD1 4.19Å; V338-I436 HydrophobicContact CG2-CD1 4.03Å; I344-I436 HydrophobicContact CD1-CD1 3.74Å; V382-I436 HydrophobicContact CG1-CB 4.47Å; V382-I436 HydrophobicContact CG1-CD1 4.17Å; V382-I436 HydrophobicContact CG1-CG1 3.93Å; V382-I436 HydrophobicContact CG1-CG2 3.83Å; V388-I436 HydrophobicContact CG2-CG1 3.92Å; L390-I436 HydrophobicContact CD2-CD1 4.22Å; N434-I436 PolarHBondContact O-N 3.38Å; I436-V438 WeakPolarHBondContact O-CG2 3.37Å; I436-V438 PolarHBondContact O-N 3.43Å |
| 437 | V | 85.6 | Confident | 85.3 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | trans | -70 | 124.8 | 177.3 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | S383 K385 F409 T443 H445 | S383-V437 PolarHBondContact O-N 3.42Å; K385-V437 HydrophobicContact CG-CG2 3.85Å; F409-V437 HydrophobicContact CD1-CG2 3.94Å; F409-V437 HydrophobicContact CE1-CG2 3.9Å; V437-T443 HydrophobicContact CB-CG2 4.11Å; V437-T443 HydrophobicContact CG1-CG2 3.89Å; V437-T443 HydrophobicContact CG2-CG2 4.37Å; V437-H445 PolarHBondContact O-CE1 2.95Å; V437-H445 VanDerWaalsContact O-CE1 3.24Å; V437-H445 PolarHBondContact O-NE2 2.77Å | ||
| 438 | V | 80.9 | Confident | 85.1 | Confident | 43 Ų | 43 | 39.8 Ų | 39.8 | 26% | 0.261 | 22% | 0.217 | S | C | . | . | trans | -97.7 | -18.9 | -176.2 | -172.6 | 0 | 0 | 0 | 0 | 112.9 | S335 I436 | S335-V438 VanDerWaalsContact CA-CG1 3.41Å; S335-V438 WeakPolarHBondContact CB-O 3.36Å; S335-V438 WeakPolarHBondContact O-CG1 3.34Å; I436-V438 WeakPolarHBondContact O-CG2 3.37Å; I436-V438 PolarHBondContact O-N 3.43Å | ||
| 439 | S | 67.8 | Low | 85 | Confident | 58 Ų | 58 | 39.9 Ų | 39.9 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | trans | -77.3 | 129 | 179.2 | -176.2 | 0 | 0 | 0 | 0 | 112 | T441 | S439-T441 VanDerWaalsContact C-N 3.34Å; S439-T441 PolarHBondContact OG-OG1 3.06Å; S439-T441 VanDerWaalsContact OG-OG1 3.1Å | ||
| 440 | Q | 60.3 | Low | 84.8 | Confident | 101 Ų | 101 | 41.8 Ų | 41.8 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -11.2 | -178.6 | -60.4 | -178.2 | 30.9 | 0 | 0 | 114 | A333 | A333-Q440 PolarHBondContact O-NE2 2.78Š|
| 441 | T | 59.5 | Low | 84.7 | Confident | 135 Ų | 135 | 43 Ų | 43 | 83% | 0.828 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -14.4 | -169.5 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | S439 | S439-T441 VanDerWaalsContact C-N 3.34Å; S439-T441 PolarHBondContact OG-OG1 3.06Å; S439-T441 VanDerWaalsContact OG-OG1 3.1Å |
| 442 | S | 63.9 | Low | 84.4 | Confident | 56 Ų | 56 | 46.3 Ų | 46.3 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -28.9 | -173.4 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | C187 | C187-S442 PolarHBondContact SG-O 2.75Å; C187-S442 VanDerWaalsContact SG-O 3.33Å |
| 443 | T | 79.4 | Confident | 84.2 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | trans | -160.1 | 154.5 | -175.5 | -170.9 | 0 | 0 | 0 | 0 | 112.5 | S185 S383 V437 | S185-T443 CarbonylContact O-C 3.56Å; S185-T443 VanDerWaalsContact O-CA 3.29Å; S185-T443 WeakPolarHBondContact O-CA 3.37Å; S185-T443 PolarHBondContact O-OG1 3.34Å; S185-T443 VanDerWaalsContact O-OG1 3.09Å; S383-T443 WeakPolarHBondContact CB-OG1 3.49Å; S383-T443 PolarHBondContact OG-OG1 2.97Å; V437-T443 HydrophobicContact CB-CG2 4.11Å; V437-T443 HydrophobicContact CG1-CG2 3.89Å; V437-T443 HydrophobicContact CG2-CG2 4.37Å | ||
| 444 | S | 86.2 | Confident | 84.1 | Confident | 22 Ų | 22 | 45 Ų | 45 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | trans | -103.7 | 156.2 | -178 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | S185 F186 S383 | S185-S444 PolarHBondContact N-OG 3.28Å; S185-S444 VanDerWaalsContact N-OG 3.1Å; S185-S444 PolarHBondContact O-N 2.93Å; F186-S444 WeakPolarHBondContact CD1-O 3.2Å; F186-S444 WeakPolarHBondContact CE1-O 3.05Å; S383-S444 PolarHBondContact OG-O 2.91Å | ||
| 445 | H | 91.6 | Very high | 83.8 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.046 | 25% | 0.254 | C | S | . | . | trans | -120 | 135.2 | 165 | -45.1 | -81.7 | 0 | 0 | 0 | 107.7 | K331 R332 F346 H381 S383 V437 | K331-H445 CarbonylContact C-O 3.48Å; K331-H445 WeakPolarHBondContact CA-O 3.47Å; K331-H445 VanDerWaalsContact CB-O 3.27Å; K331-H445 WeakPolarHBondContact CB-O 3.32Å; R332-H445 HydrophobicContact CB-CB 4.04Å; R332-H445 PolarHBondContact N-O 3.27Å; R332-H445 VanDerWaalsContact N-O 3.07Å; F346-H445 HydrophobicContact CE1-CB 3.98Å; H381-H445 CarbonylContact O-C 3.57Å; H381-H445 VanDerWaalsContact O-CA 3.27Å; H381-H445 WeakPolarHBondContact O-CA 3.49Å; S383-H445 PolarHBondContact N-CE1 2.94Å; S383-H445 PolarHBondContact N-ND1 3.15Å; S383-H445 PolarHBondContact O-CE1 2.96Å; V437-H445 PolarHBondContact O-CE1 2.95Å; V437-H445 VanDerWaalsContact O-CE1 3.24Å; V437-H445 PolarHBondContact O-NE2 2.77Å | ||
| 446 | S | 91.9 | Very high | 82.8 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.2 | -179.1 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | N330 F380 H381 | N330-S446 CarbonylContact O-C 3.57Å; N330-S446 VanDerWaalsContact O-CA 3.26Å; N330-S446 WeakPolarHBondContact O-CA 3.38Å; F380-S446 CarbonylContact C-O 3.51Å; F380-S446 VanDerWaalsContact CA-O 3.22Å; F380-S446 WeakPolarHBondContact CA-O 3.5Å; H381-S446 PolarHBondContact N-O 2.96Å; H381-S446 PolarHBondContact O-N 3.41Å |
| 447 | F | 95.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 125.8 | 168.5 | -179.2 | -142.3 | 0 | 0 | 0 | 108.6 | F328 N330 F346 L363 F378 F380 L392 I426 V428 | F328-F447 HydrophobicContact CE2-CB 4.49Å; F328-F447 AromaticContact CE2-CD1 3.53Å; F328-F447 HydrophobicContact CE2-CD1 3.53Å; F328-F447 HydrophobicContact CE2-CD2 4.32Å; F328-F447 AromaticContact CE2-CE1 3.7Å; F328-F447 HydrophobicContact CE2-CE1 3.7Å; F328-F447 HydrophobicContact CE2-CE2 4.47Å; F328-F447 AromaticContact CE2-CG 3.86Å; F328-F447 HydrophobicContact CE2-CG 3.86Å; F328-F447 HydrophobicContact CE2-CZ 4.18Å; F328-F447 WeakPolarHBondContact CE2-O 3.14Å; F328-F447 AromaticContact CZ-CD1 3.9Å; F328-F447 HydrophobicContact CZ-CD1 3.9Å; F328-F447 AromaticContact CZ-CE1 3.54Å; F328-F447 HydrophobicContact CZ-CE1 3.54Å; F328-F447 HydrophobicContact CZ-CE2 4.21Å; F328-F447 HydrophobicContact CZ-CG 4.36Å; F328-F447 AromaticContact CZ-CZ 3.71Å; F328-F447 HydrophobicContact CZ-CZ 3.71Å; N330-F447 PolarHBondContact N-O 2.86Å; N330-F447 PolarHBondContact O-N 3.06Å; F346-F447 HydrophobicContact CB-CB 4.46Å; F346-F447 HydrophobicContact CD1-CB 3.89Å; F346-F447 HydrophobicContact CD2-CB 3.53Å; F346-F447 HydrophobicContact CD2-CD1 4.05Å; F346-F447 HydrophobicContact CD2-CG 4.19Å; F346-F447 HydrophobicContact CE1-CB 3.93Å; F346-F447 HydrophobicContact CE2-CB 3.58Å; F346-F447 HydrophobicContact CE2-CD1 4.28Å; F346-F447 HydrophobicContact CE2-CG 4.16Å; F346-F447 HydrophobicContact CG-CB 3.7Å; F346-F447 HydrophobicContact CZ-CB 3.78Å; L363-F447 HydrophobicContact CD1-CD1 4.04Å; F378-F447 HydrophobicContact CB-CE2 4.23Å; F378-F447 HydrophobicContact CD1-CE2 4.04Å; F378-F447 AromaticContact CD1-CZ 3.9Å; F378-F447 HydrophobicContact CD1-CZ 3.9Å; F380-F447 HydrophobicContact CB-CB 4.49Å; F380-F447 HydrophobicContact CB-CD2 3.93Å; L392-F447 HydrophobicContact CD1-CE2 4.28Å; L392-F447 HydrophobicContact CD1-CZ 4.35Å; I426-F447 HydrophobicContact CG2-CZ 4.12Å; V428-F447 HydrophobicContact CG2-CD1 4.36Å; V428-F447 HydrophobicContact CG2-CD2 3.9Å; V428-F447 HydrophobicContact CG2-CE1 4.41Å; V428-F447 HydrophobicContact CG2-CE2 3.94Å; V428-F447 HydrophobicContact CG2-CG 4.13Å; V428-F447 HydrophobicContact CG2-CZ 4.21Å |
| 448 | T | 93.8 | Very high | 82.3 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 12% | 0.117 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140 | -173.7 | -52.3 | 0 | 0 | 0 | 0 | 108.7 | Y161 F328 S329 F378 S379 | Y161-T448 HydrophobicContact CD2-CG2 4.42Å; Y161-T448 HydrophobicContact CE2-CG2 4.35Å; F328-T448 WeakPolarHBondContact O-CA 3.36Å; F328-T448 WeakPolarHBondContact O-CG2 3.24Å; S329-T448 PolarHBondContact OG-OG1 3.11Å; F378-T448 CarbonylContact C-O 3.51Å; F378-T448 WeakPolarHBondContact CA-O 3.27Å; S379-T448 PolarHBondContact N-O 3.45Å; S379-T448 PolarHBondContact O-N 2.99Å |
| 449 | G | 94.6 | Very high | 82.4 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 144.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | F327 F328 F377 | F327-G449 CarbonylContact C-O 3.52Å; F327-G449 WeakPolarHBondContact CA-O 3.47Å; F328-G449 PolarHBondContact N-O 2.89Å; F328-G449 PolarHBondContact O-N 3.22Å; F377-G449 CarbonylContact O-C 3.43Å; F377-G449 WeakPolarHBondContact O-CA 3.36Å |
| 450 | F | 92.4 | Very high | 83.2 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 26% | 0.259 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 146.7 | 174 | 58.3 | -94.5 | 0 | 0 | 0 | 112 | Y161 S326 F327 Y376 F377 I452 | Y161-F450 HydrophobicContact CD1-CE1 4.29Å; Y161-F450 HydrophobicContact CD1-CZ 4.44Å; Y161-F450 AromaticContact CD2-CE1 3.94Å; Y161-F450 HydrophobicContact CD2-CE1 3.94Å; Y161-F450 HydrophobicContact CE2-CE1 4.38Å; Y161-F450 AromaticContact CG-CE1 3.89Å; Y161-F450 HydrophobicContact CG-CE1 3.89Å; Y161-F450 HydrophobicContact CG-CZ 4.36Å; S326-F450 WeakPolarHBondContact O-CA 3.32Å; F327-F450 HydrophobicContact CB-CB 3.65Å; Y376-F450 WeakPolarHBondContact CA-O 3.44Å; F377-F450 HydrophobicContact CB-CD2 4.35Å; F377-F450 HydrophobicContact CB-CE1 4.18Å; F377-F450 HydrophobicContact CB-CE2 3.86Å; F377-F450 HydrophobicContact CB-CZ 3.76Å; F377-F450 HydrophobicContact CD1-CD1 4.26Å; F377-F450 AromaticContact CD1-CE1 3.41Å; F377-F450 HydrophobicContact CD1-CE1 3.41Å; F377-F450 VanDerWaalsContact CD1-CE1 3.41Å; F377-F450 HydrophobicContact CD1-CE2 4.45Å; F377-F450 AromaticContact CD1-CZ 3.52Å; F377-F450 HydrophobicContact CD1-CZ 3.52Å; F377-F450 HydrophobicContact CE1-CE1 4.18Å; F377-F450 HydrophobicContact CE1-CZ 4.37Å; F377-F450 HydrophobicContact CG-CE1 4.18Å; F377-F450 HydrophobicContact CG-CE2 4.46Å; F377-F450 AromaticContact CG-CZ 3.89Å; F377-F450 HydrophobicContact CG-CZ 3.89Å; F377-F450 PolarHBondContact N-O 2.93Å; F377-F450 PolarHBondContact O-N 2.65Å; F450-I452 HydrophobicContact CE2-CG1 4.36Å; F450-I452 PolarHBondContact O-N 2.63Å |
| 451 | L | 91.3 | Very high | 84.6 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 125.3 | 172.4 | 179.7 | 68.4 | 0 | 0 | 0 | 109.6 | S326 I372 Y376 F453 P454 | S326-L451 WeakPolarHBondContact O-CB 3.47Å; S326-L451 PolarHBondContact O-N 2.83Å; I372-L451 HydrophobicContact CG2-CD2 3.73Å; Y376-L451 HydrophobicContact CD1-CB 4.18Å; Y376-L451 HydrophobicContact CD2-CD1 3.93Å; Y376-L451 HydrophobicContact CE1-CB 3.77Å; Y376-L451 HydrophobicContact CE1-CD1 4.32Å; Y376-L451 HydrophobicContact CE2-CB 4.49Å; Y376-L451 HydrophobicContact CE2-CD1 3.51Å; Y376-L451 HydrophobicContact CG-CD1 4.49Å; L451-F453 WeakPolarHBondContact CD1-O 3.36Å; L451-P454 HydrophobicContact CD2-CB 4.28Å |
| 452 | I | 88.3 | Confident | 86.3 | Confident | 82 Ų | 82 | 42.9 Ų | 42.9 | 42% | 0.421 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -53.4 | 174 | -46.8 | -179.5 | 0 | 0 | 0 | 109.2 | V375 F377 V417 F450 | V375-I452 HydrophobicContact CG1-CD1 4.2Å; V375-I452 WeakPolarHBondContact O-CB 3.29Å; V375-I452 PolarHBondContact O-N 2.7Å; F377-I452 HydrophobicContact CB-CD1 3.93Å; F377-I452 HydrophobicContact CB-CG1 4.04Å; V417-I452 HydrophobicContact CG1-CD1 4.12Å; V417-I452 HydrophobicContact CG2-CD1 4.36Å; F450-I452 HydrophobicContact CE2-CG1 4.36Å; F450-I452 PolarHBondContact O-N 2.63Å |
| 453 | F | 86.6 | Confident | 87.9 | Confident | 108 Ų | 108 | 41.9 Ų | 41.9 | 47% | 0.474 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 135.3 | 174.6 | 45.6 | -92.5 | 0 | 0 | 0 | 110.6 | G374 V375 L451 T455 | G374-F453 WeakPolarHBondContact CA-O 3.22Å; V375-F453 HydrophobicContact CB-CD2 3.98Å; V375-F453 HydrophobicContact CB-CE1 4.12Å; V375-F453 HydrophobicContact CB-CE2 3.52Å; V375-F453 HydrophobicContact CB-CG 4.48Å; V375-F453 HydrophobicContact CB-CZ 3.58Å; V375-F453 HydrophobicContact CG1-CE1 4.23Å; V375-F453 HydrophobicContact CG1-CE2 4.29Å; V375-F453 HydrophobicContact CG1-CZ 3.84Å; V375-F453 HydrophobicContact CG2-CD2 3.97Å; V375-F453 HydrophobicContact CG2-CE2 3.22Å; V375-F453 HydrophobicContact CG2-CZ 3.58Å; V375-F453 PolarHBondContact N-O 3.06Å; V375-F453 PolarHBondContact O-N 3.31Å; L451-F453 WeakPolarHBondContact CD1-O 3.36Å; F453-T455 HydrophobicContact CD2-CG2 4.29Å; F453-T455 HydrophobicContact CE2-CG2 4.45Å |
| 454 | P | 87.4 | Confident | 88.6 | Confident | 78 Ų | 78 | 44.6 Ų | 44.6 | 51% | 0.506 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 147.7 | 173.7 | 29.1 | -33.2 | 0 | 0 | 0 | 110.6 | I372 K373 L451 | I372-P454 HydrophobicContact CG2-CB 4.37Å; K373-P454 WeakPolarHBondContact O-CA 3.35Å; L451-P454 HydrophobicContact CD2-CB 4.28Å |
| 455 | T | 82.8 | Confident | 88.8 | Confident | 39 Ų | 39 | 46.5 Ų | 46.5 | 24% | 0.239 | 26% | 0.263 | C | S | . | . | trans | -117.9 | 142 | 173 | 56.2 | 0 | 0 | 0 | 0 | 109.1 | K373 G374 V375 F453 | K373-T455 WeakPolarHBondContact CG-OG1 3.03Å; K373-T455 PolarHBondContact O-N 3.25Å; K373-T455 VanDerWaalsContact O-N 3.07Å; G374-T455 VanDerWaalsContact CA-OG1 3.28Å; G374-T455 WeakPolarHBondContact CA-OG1 3.35Å; G374-T455 PolarHBondContact N-OG1 3.32Å; V375-T455 HydrophobicContact CG2-CG2 4.3Å; F453-T455 HydrophobicContact CD2-CG2 4.29Å; F453-T455 HydrophobicContact CE2-CG2 4.45Å | ||
| 456 | S | 69.5 | Low | 88.5 | Confident | 129 Ų | 129 | 49.8 Ų | 49.8 | 90% | 0.902 | 28% | 0.283 | S | S | * | . | trans | -80.8 | 0 | -177.1 | 50.1 | 0 | 0 | 0 | 0 | 113.9 | M29 K373 | M29-S456 PolarHBondContact SD-OG 3.07Å; K373-S456 PolarHBondContact NZ-O 3.37Å |
Retrieved 456 of 456 residues in 138.6 ms
(Link to these results)