| 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 | 40.5 | Very low | 48.7 | Very low | 232 Ų | 232 | 149 Ų | 149 | 100% | 1.143 | 82% | 0.816 | S | S | * | * | 0 | 117.6 | 0 | -77.6 | 161.5 | 76 | 0 | 0 | 107.6 | |||||
| 2 | T | 43.9 | Very low | 49.1 | Very low | 130 Ų | 130 | 151.5 Ų | 151.5 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | trans | 33.4 | 105.4 | 148.2 | 56.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 3 | G | 48.1 | Very low | 49 | Very low | 70 Ų | 70 | 150.5 Ų | 150.5 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -125.3 | 88.4 | 155 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 4 | V | 47.3 | Very low | 48.5 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 70% | 0.703 | 81% | 0.809 | S | S | * | * | trans | -92.1 | 118.9 | 168.9 | 179.9 | 0 | 0 | 0 | 0 | 106 | E6 | V4-E6 HydrophobicContact CG1-CG 4.08Š| ||
| 5 | F | 58.8 | Low | 48.2 | Very low | 206 Ų | 206 | 146.7 Ų | 146.7 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | -114.8 | 112.9 | 163.5 | -71 | -73.3 | 0 | 0 | 0 | 107.4 | ||||
| 6 | E | 51.5 | Low | 48.2 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | trans | -85.1 | 148.2 | 172.3 | -69.2 | -177.6 | 125 | 0 | 0 | 111 | V4 | V4-E6 HydrophobicContact CG1-CG 4.08Š| ||
| 7 | N | 47.5 | Very low | 47.8 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | 58.2 | 118.9 | 149.9 | -77.5 | 27.9 | 0 | 0 | 0 | 120.6 | ||||
| 8 | L | 53.4 | Low | 48 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | -154.5 | 116.7 | 119.1 | -99.2 | 155.2 | 0 | 0 | 0 | 109.5 | |||||
| 9 | N | 46.6 | Very low | 47.8 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -59.9 | 135.3 | 162.6 | -101.2 | -21.3 | 0 | 0 | 0 | 109.4 | ||||
| 10 | T | 51.9 | Low | 47.5 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -146.6 | 112.1 | 146.7 | -33.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 11 | D | 45.7 | Very low | 47.2 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 58% | 0.583 | 78% | 0.782 | S | S | * | * | trans | -23.1 | 135 | 153.9 | -161.6 | -88.2 | 0 | 0 | 0 | 114.9 | H13 | D11-H13 IonicContact OD1-CE1 3.03Å; D11-H13 PolarHBondContact OD1-CE1 2.85Å; D11-H13 IonicContact OD1-ND1 3.32Å; D11-H13 PolarHBondContact OD1-ND1 3.42Å; D11-H13 IonicContact OD2-CE1 3.58Å; D11-H13 PolarHBondContact OD2-CE1 2.74Å; D11-H13 IonicContact OD2-ND1 2.88Å; D11-H13 PolarHBondContact OD2-ND1 3.36Å | ||
| 12 | M | 54.2 | Low | 47.1 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | -166.3 | 109.1 | 128.6 | -110.9 | -175.3 | 52.7 | 0 | 0 | 112.6 | |||||
| 13 | H | 47.4 | Very low | 47.2 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | trans | -47.2 | 133.2 | 167.7 | -60.8 | 78.8 | 0 | 0 | 0 | 113.7 | D11 | D11-H13 IonicContact OD1-CE1 3.03Å; D11-H13 PolarHBondContact OD1-CE1 2.85Å; D11-H13 IonicContact OD1-ND1 3.32Å; D11-H13 PolarHBondContact OD1-ND1 3.42Å; D11-H13 IonicContact OD2-CE1 3.58Å; D11-H13 PolarHBondContact OD2-CE1 2.74Å; D11-H13 IonicContact OD2-ND1 2.88Å; D11-H13 PolarHBondContact OD2-ND1 3.36Å | ||
| 14 | S | 42.2 | Very low | 46.9 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -129 | 95.1 | 155.5 | -164.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 15 | N | 43.5 | Very low | 46.7 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | trans | -73.3 | 117.8 | 164.8 | -76.5 | -63.2 | 0 | 0 | 0 | 108.8 | ||||
| 16 | Q | 47.9 | Very low | 45.9 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -141.5 | 88.1 | 145 | -69.5 | -162 | 16.8 | 0 | 0 | 110 | T18 | Q16-T18 PolarHBondContact O-N 3.38Š| ||
| 17 | I | 41.5 | Very low | 45.4 | Very low | 143 Ų | 143 | 148.6 Ų | 148.6 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -62.5 | 111.8 | 154.5 | -66.5 | 152.5 | 0 | 0 | 0 | 106.4 | ||||
| 18 | T | 51.2 | Low | 45.2 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | -101.7 | 94.8 | 158.6 | -60.9 | 0 | 0 | 0 | 0 | 107.5 | Q16 | Q16-T18 PolarHBondContact O-N 3.38Š| ||
| 19 | S | 44.9 | Very low | 44.7 | Very low | 92 Ų | 92 | 147.4 Ų | 147.4 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -72.8 | 121 | 163 | 49 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 20 | N | 41 | Very low | 44.3 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -165.3 | 134 | 157.4 | -83.7 | -39.7 | 0 | 0 | 0 | 105.2 | ||||
| 21 | N | 41.6 | Very low | 43.9 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | cis | -167.1 | 129.2 | -1.4 | 176.8 | 30.7 | 0 | 0 | 0 | 102.7 | H23 | N21-H23 PolarHBondContact O-N 3.09Š| ||
| 22 | Y | 38.2 | Very low | 44.6 | Very low | 225 Ų | 225 | 148.5 Ų | 148.5 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -70 | 120.9 | 175.8 | -77.6 | -93.3 | 0 | 0 | 0 | 109.2 | ||||
| 23 | H | 45.7 | Very low | 44.7 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -135.3 | 100 | 152.7 | -111.8 | -71.4 | 0 | 0 | 0 | 108.9 | N21 | N21-H23 PolarHBondContact O-N 3.09Š| ||
| 24 | S | 43.5 | Very low | 45.3 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -97 | 110.7 | 163.1 | -165.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 25 | L | 42.8 | Very low | 46.3 | Very low | 144 Ų | 144 | 146.9 Ų | 146.9 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -164.1 | 105.9 | 160.8 | -134.6 | 63.4 | 0 | 0 | 0 | 111.7 | ||||
| 26 | H | 42.6 | Very low | 46.5 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 58.3 | 110.8 | 148.7 | -70 | -106.4 | 0 | 0 | 0 | 121 | ||||
| 27 | K | 40 | Very low | 46.7 | Very low | 215 Ų | 215 | 144.2 Ų | 144.2 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | -157.5 | 93.3 | 126.1 | -120.9 | 172.6 | 178.2 | -173.9 | 0 | 110.8 | |||||
| 28 | S | 43.2 | Very low | 47.2 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -79.5 | 153.2 | 155 | -60.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 29 | Q | 43.8 | Very low | 47.2 | Very low | 188 Ų | 188 | 141.9 Ų | 141.9 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | 93.2 | 97.6 | 170.6 | -52.5 | -152.4 | 0.8 | 0 | 0 | 116.5 | ||||
| 30 | E | 37.9 | Very low | 47.8 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | -158.6 | 112.5 | 105.5 | 54 | -168.2 | 114.3 | 0 | 0 | 109.6 | |||||
| 31 | S | 43.5 | Very low | 48 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -71.5 | 138 | 161.4 | -67.9 | 0 | 0 | 0 | 0 | 107.9 | T33 | S31-T33 VanDerWaalsContact C-N 3.3Å; S31-T33 PolarHBondContact O-N 2.89Å | ||
| 32 | P | 60.1 | Low | 48.4 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | trans | -72.9 | 92.6 | 165.1 | 28 | -28.5 | 0 | 0 | 0 | 108.3 | L34 | P32-L34 PolarHBondContact O-N 3.42Š| ||
| 33 | T | 55.2 | Low | 49.1 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -61.5 | 119.7 | 170.2 | -58.3 | 0 | 0 | 0 | 0 | 109 | S31 | S31-T33 VanDerWaalsContact C-N 3.3Å; S31-T33 PolarHBondContact O-N 2.89Å | ||
| 34 | L | 61.1 | Low | 49.1 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -54.2 | 137.9 | 167.8 | -63.9 | 167.1 | 0 | 0 | 0 | 109.6 | P32 V36 | P32-L34 PolarHBondContact O-N 3.42Å; L34-V36 PolarHBondContact O-N 3.02Å | ||
| 35 | P | 62.3 | Low | 48.9 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -64.6 | 113.6 | 171 | 25.5 | -31 | 0 | 0 | 0 | 109.4 | S37 | P35-S37 PolarHBondContact O-N 3.09Š| ||
| 36 | V | 48.2 | Very low | 48.8 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | trans | -52.9 | 128.1 | 166.7 | 149.2 | 0 | 0 | 0 | 0 | 109.4 | L34 T38 | L34-V36 PolarHBondContact O-N 3.02Å; V36-T38 PolarHBondContact O-N 3.47Å; V36-T38 VanDerWaalsContact O-N 3.09Å | ||
| 37 | S | 53.2 | Low | 48.4 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -51.6 | 111.6 | 165.3 | -56.4 | 0 | 0 | 0 | 0 | 109.7 | P35 | P35-S37 PolarHBondContact O-N 3.09Š| ||
| 38 | T | 52.2 | Low | 48.6 | Very low | 122 Ų | 122 | 137 Ų | 137 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -87.1 | 116.8 | 164.5 | -90.7 | 0 | 0 | 0 | 0 | 108.3 | V36 | V36-T38 PolarHBondContact O-N 3.47Å; V36-T38 VanDerWaalsContact O-N 3.09Å | ||
| 39 | A | 50.7 | Low | 49 | Very low | 91 Ų | 91 | 140 Ų | 140 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -63 | 142.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 40 | T | 56.7 | Low | 49.3 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -133.9 | 89.5 | 156.9 | -51.9 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 41 | D | 46.3 | Very low | 49.3 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | 88.7 | 119.9 | 93.4 | 179.9 | -117.2 | 0 | 0 | 0 | 110.4 | |||||
| 42 | S | 49.1 | Very low | 49.1 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -91.1 | 118.8 | 177.6 | -66.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 43 | S | 52.6 | Low | 47.9 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | -169.2 | 112.9 | 151 | -82.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 44 | F | 45.6 | Very low | 47.3 | Very low | 205 Ų | 205 | 132 Ų | 132 | 90% | 0.899 | 77% | 0.767 | S | S | * | * | 176.1 | 109.5 | 113 | -105.3 | -88.2 | 0 | 0 | 0 | 110.5 | |||||
| 45 | Y | 39 | Very low | 46.2 | Very low | 219 Ų | 219 | 128.5 Ų | 128.5 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | trans | -9.3 | 136.1 | 155.6 | -107.8 | -114.9 | 0 | 0 | 0 | 119.6 | ||||
| 46 | N | 41.2 | Very low | 45.4 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | 95.2 | 100.3 | 122.3 | -157.8 | 26.9 | 0 | 0 | 0 | 120.2 | |||||
| 47 | N | 34.2 | Very low | 45.6 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | -154.6 | 118.8 | 124.5 | -132.3 | -100.8 | 0 | 0 | 0 | 112.1 | |||||
| 48 | Q | 45.3 | Very low | 45.1 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -70.8 | 139.2 | 163.2 | -76.8 | 165.1 | 52.2 | 0 | 0 | 110 | ||||
| 49 | Q | 49.9 | Very low | 44.5 | Very low | 169 Ų | 169 | 130.1 Ų | 130.1 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | 173.1 | 158.6 | 121.2 | -85.5 | -47.6 | -14.7 | 0 | 0 | 109.3 | |||||
| 50 | P | 51.3 | Low | 44.1 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -111 | 154.4 | -138.1 | 31.5 | -13.5 | 0 | 0 | 0 | 113.2 | ||||
| 51 | G | 37 | Very low | 43.5 | Very low | 69 Ų | 69 | 136.3 Ų | 136.3 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -156.8 | 87.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 52 | H | 40.2 | Very low | 43 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | 21.1 | 121.9 | 149.4 | -55.2 | -76.1 | 0 | 0 | 0 | 121.4 | ||||
| 53 | C | 35 | Very low | 42.4 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | 81.9 | 139.3 | 123.6 | 77.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 54 | A | 41.3 | Very low | 41.6 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 82.1 | 91.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 55 | G | 39.7 | Very low | 41.3 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -67.7 | 152 | 147.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 56 | S | 45.1 | Very low | 41.1 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -134.2 | 129.4 | 159.3 | -98.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 57 | P | 52.4 | Low | 41.4 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -91.2 | 153.4 | 178.1 | 36.1 | -31.4 | 0 | 0 | 0 | 111.9 | ||||
| 58 | F | 42 | Very low | 41.3 | Very low | 208 Ų | 208 | 137.2 Ų | 137.2 | 91% | 0.912 | 80% | 0.798 | S | S | * | * | trans | 13.5 | 121.9 | 144.4 | -139.2 | -97.9 | 0 | 0 | 0 | 119 | ||||
| 59 | G | 39.9 | Very low | 40.9 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | -151.5 | 108.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 60 | Q | 41.7 | Very low | 40.3 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | 88.7 | 114.1 | 64.2 | -159.7 | 167.2 | 2.8 | 0 | 0 | 112.9 | |||||
| 61 | L | 45 | Very low | 40.1 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -18.4 | 124.9 | 167.3 | -133.2 | 80.3 | 0 | 0 | 0 | 116.2 | ||||
| 62 | G | 36.6 | Very low | 40 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 124.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 63 | S | 35 | Very low | 40.3 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74 | 144.3 | -177.6 | -8.9 | 0 | 0 | 0 | 0 | 113 | ||
| 64 | Y | 37 | Very low | 40.7 | Very low | 234 Ų | 234 | 131.9 Ų | 131.9 | 92% | 0.918 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 123.5 | 170.8 | -73 | -89.1 | 0 | 0 | 0 | 110.8 | ||
| 65 | Q | 38.9 | Very low | 41.2 | Very low | 165 Ų | 165 | 133 Ų | 133 | 77% | 0.771 | 81% | 0.811 | S | S | * | * | trans | -105.7 | 114.6 | 171.5 | -168 | 107 | -13.5 | 0 | 0 | 109.2 | ||||
| 66 | Y | 35.5 | Very low | 41.3 | Very low | 225 Ų | 225 | 140.3 Ų | 140.3 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -81.8 | 132.5 | 171.2 | -120.5 | -97.9 | 0 | 0 | 0 | 109.3 | ||||
| 67 | H | 46.6 | Very low | 41.6 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -127 | 129 | 160 | -90.2 | -99.7 | 0 | 0 | 0 | 109.4 | ||||
| 68 | G | 32.8 | Very low | 40.9 | Very low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | -99.4 | 153.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 69 | S | 36.7 | Very low | 41 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | 39.3 | 120.1 | 154.7 | -147.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 70 | A | 36.8 | Very low | 41 | Very low | 83 Ų | 83 | 141.6 Ų | 141.6 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | 149.8 | 131.8 | 109.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 71 | T | 46.4 | Very low | 40.9 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | 45.7 | 121.4 | 151.8 | 62.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 72 | G | 35.8 | Very low | 40.6 | Very low | 69 Ų | 69 | 140.2 Ų | 140.2 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | 162 | 114.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 73 | S | 47 | Very low | 40.6 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -45.8 | 133.2 | 168.8 | 52.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 74 | V | 43.3 | Very low | 41.2 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | -122.9 | 126.3 | 165.8 | -100.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 75 | P | 50.7 | Low | 41.3 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 141.1 | 174.3 | 31.4 | -30.2 | 0 | 0 | 0 | 110.3 | P77 | P75-P77 WeakPolarHBondContact O-CD 3.18Š|
| 76 | Y | 41.6 | Very low | 41.4 | Very low | 231 Ų | 231 | 139.1 Ų | 139.1 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 127.1 | 172.9 | -72.3 | -90.5 | 0 | 0 | 0 | 111 | ||
| 77 | P | 52.2 | Low | 41.4 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 133.4 | 160 | 10.4 | 7.5 | 0 | 0 | 0 | 110.7 | P75 | P75-P77 WeakPolarHBondContact O-CD 3.18Š|
| 78 | N | 36.8 | Very low | 40.9 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 157.7 | 176.3 | -165.6 | -20.2 | 0 | 0 | 0 | 113.5 | ||
| 79 | A | 45 | Very low | 41.4 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -31.6 | 136.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 80 | K | 39.2 | Very low | 41.7 | Very low | 195 Ų | 195 | 138.2 Ų | 138.2 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -125.6 | 104.8 | 153.5 | -63.4 | -76.6 | -175 | 164.7 | 0 | 107.4 | Y82 | K80-Y82 PolarHBondContact O-N 2.79Š| ||
| 81 | S | 39.3 | Very low | 41.9 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -47.3 | 121.3 | 161.3 | 43.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 82 | Y | 39.6 | Very low | 41.5 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | trans | -101.7 | 104.9 | 154.3 | 57.6 | -89 | 0 | 0 | 0 | 107.2 | K80 L84 | K80-Y82 PolarHBondContact O-N 2.79Å; Y82-L84 HydrophobicContact CD2-CD1 4.01Å | ||
| 83 | D | 36.5 | Very low | 41.9 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -81.5 | 109.4 | 161.9 | -168.7 | -96.1 | 0 | 0 | 0 | 106 | ||||
| 84 | L | 47.4 | Very low | 41.4 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -102.7 | 96.1 | 169.8 | -91.2 | 156 | 0 | 0 | 0 | 106.5 | Y82 F86 | Y82-L84 HydrophobicContact CD2-CD1 4.01Å; L84-F86 PolarHBondContact O-N 2.81Å | ||
| 85 | G | 38.9 | Very low | 41.2 | Very low | 65 Ų | 65 | 141.2 Ų | 141.2 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | -58 | 126.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 86 | F | 40.9 | Very low | 40.8 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -124.5 | 97.2 | 155.7 | -160.9 | -95.3 | 0 | 0 | 0 | 107.9 | L84 S88 | L84-F86 PolarHBondContact O-N 2.81Å; F86-S88 PolarHBondContact O-N 3.11Å | ||
| 87 | N | 35.4 | Very low | 40.7 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -72.4 | 108.3 | 171.9 | -175.5 | 8.2 | 0 | 0 | 0 | 108.3 | ||||
| 88 | S | 37.7 | Very low | 40.5 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -115 | 94.6 | 160.5 | -166.4 | 0 | 0 | 0 | 0 | 107 | F86 Y90 | F86-S88 PolarHBondContact O-N 3.11Å; S88-Y90 PolarHBondContact O-N 2.75Å | ||
| 89 | S | 42.8 | Very low | 40.8 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -47.1 | 123.8 | 178.8 | 36.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 90 | Y | 42.7 | Very low | 41.3 | Very low | 221 Ų | 221 | 140.6 Ų | 140.6 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -86.6 | 145.1 | 164.3 | -130.1 | -99.8 | 0 | 0 | 0 | 109.1 | S88 | S88-Y90 PolarHBondContact O-N 2.75Š| ||
| 91 | V | 41.1 | Very low | 41.2 | Very low | 112 Ų | 112 | 137 Ų | 137 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | trans | 87.2 | 108.7 | 162.4 | -158 | 0 | 0 | 0 | 0 | 118.7 | Y93 | V91-Y93 HydrophobicContact CG1-CD2 3.94Å; V91-Y93 HydrophobicContact CG1-CE2 4.48Å | ||
| 92 | A | 38.7 | Very low | 41.8 | Very low | 105 Ų | 105 | 137 Ų | 137 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | -140.1 | 119.7 | 133.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 93 | Y | 42.7 | Very low | 41.9 | Very low | 227 Ų | 227 | 133.7 Ų | 133.7 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -68.6 | 142.9 | 176.1 | -101.8 | -105.5 | 0 | 0 | 0 | 111.9 | V91 | V91-Y93 HydrophobicContact CG1-CD2 3.94Å; V91-Y93 HydrophobicContact CG1-CE2 4.48Å | ||
| 94 | G | 37.7 | Very low | 42.6 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -172.8 | 99 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 95 | S | 37.9 | Very low | 42.3 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | 73.7 | 106.4 | 63.8 | -146.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 96 | Y | 42.9 | Very low | 42.7 | Very low | 223 Ų | 223 | 134.4 Ų | 134.4 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | trans | 52.7 | 125.5 | 166.7 | 68.6 | -93.1 | 0 | 0 | 0 | 121.7 | ||||
| 97 | G | 39 | Very low | 43 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -174.7 | 80.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 98 | S | 47.7 | Very low | 43.4 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -52 | 136.2 | 168.2 | -66 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 99 | N | 44.9 | Very low | 43.8 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | -163.4 | 118.7 | 128.5 | -100.4 | 11.8 | 0 | 0 | 0 | 109.9 | |||||
| 100 | S | 54.8 | Low | 44.1 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -80.9 | 133 | 169.2 | 38.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 101 | S | 37.7 | Very low | 44.1 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -176.6 | 156.7 | 138 | -98.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 102 | P | 50.5 | Low | 44.5 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -97.8 | 172.8 | -149.6 | 9.1 | 12.6 | 0 | 0 | 0 | 115.3 | ||||
| 103 | T | 42.2 | Very low | 45.3 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -44.7 | 165.2 | 174.1 | 48.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 104 | P | 51.8 | Low | 45.8 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | -153.2 | 174.8 | 59.5 | 39.6 | -15.6 | 0 | 0 | 0 | 120.3 | |||||
| 105 | A | 41.3 | Very low | 46.9 | Very low | 89 Ų | 89 | 137.2 Ų | 137.2 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | 99.5 | 89.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 106 | E | 46.2 | Very low | 47.9 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | 44.4 | 106.5 | 125.2 | -63.1 | -174.7 | 163.6 | 0 | 0 | 119.5 | |||||
| 107 | T | 47.3 | Very low | 48.9 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | trans | -147.2 | 96.8 | 131.7 | -57.5 | 0 | 0 | 0 | 0 | 106.7 | K109 | T107-K109 PolarHBondContact O-N 3.28Š| ||
| 108 | E | 44.3 | Very low | 49.8 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | trans | -66.9 | 86.5 | 172.3 | -59.7 | -172.4 | 166.9 | 0 | 0 | 108.7 | E110 | E108-E110 PolarHBondContact O-N 2.98Š| ||
| 109 | K | 45 | Very low | 50.5 | Low | 183 Ų | 183 | 134.7 Ų | 134.7 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | trans | -86.9 | 91.9 | 161.3 | -157.5 | 177.2 | -173.4 | -178.6 | 0 | 105.4 | T107 E111 | T107-K109 PolarHBondContact O-N 3.28Å; K109-E111 PolarHBondContact O-N 2.99Å | ||
| 110 | E | 48.7 | Very low | 51.2 | Low | 187 Ų | 187 | 133.7 Ų | 133.7 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | trans | -58.4 | 84.7 | 169.2 | -168.6 | -176.4 | 160 | 0 | 0 | 108.2 | E108 S112 | E108-E110 PolarHBondContact O-N 2.98Å; E110-S112 VanDerWaalsContact C-N 3.34Å; E110-S112 PolarHBondContact O-N 3.23Å; E110-S112 VanDerWaalsContact O-N 3.09Å | ||
| 111 | E | 44.4 | Very low | 51.9 | Low | 175 Ų | 175 | 131.1 Ų | 131.1 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | trans | -75.7 | 93.3 | 170.9 | -176.9 | 162 | -171.8 | 0 | 0 | 106.2 | K109 E113 | K109-E111 PolarHBondContact O-N 2.99Å; E111-E113 PolarHBondContact O-N 3.18Å | ||
| 112 | S | 48.5 | Very low | 53.3 | Low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -42.7 | 106.6 | 171.6 | 58 | 0 | 0 | 0 | 0 | 109.5 | E110 | E110-S112 VanDerWaalsContact C-N 3.34Å; E110-S112 PolarHBondContact O-N 3.23Å; E110-S112 VanDerWaalsContact O-N 3.09Å | ||
| 113 | E | 55.8 | Low | 54 | Low | 165 Ų | 165 | 131.3 Ų | 131.3 | 77% | 0.771 | 71% | 0.705 | S | S | * | * | trans | -55.2 | 131 | 177.7 | -163.1 | -163.8 | -167.1 | 0 | 0 | 108 | E111 E115 | E111-E113 PolarHBondContact O-N 3.18Å; E113-E115 VanDerWaalsContact C-N 3.32Å; E113-E115 PolarHBondContact O-N 3.34Å | ||
| 114 | P | 54.1 | Low | 55.5 | Low | 88 Ų | 88 | 131.3 Ų | 131.3 | 57% | 0.571 | 69% | 0.693 | S | S | * | * | trans | -66.2 | 95.6 | 177.8 | 27.1 | -34 | 0 | 0 | 0 | 108.7 | I116 | P114-I116 WeakPolarHBondContact O-CG1 3.4Å; P114-I116 PolarHBondContact O-N 2.91Å | ||
| 115 | E | 59.3 | Low | 56.8 | Low | 117 Ų | 117 | 134 Ų | 134 | 55% | 0.547 | 69% | 0.692 | S | S | . | * | trans | -46.7 | 101.5 | 178.8 | -167.5 | -170.9 | 158.6 | 0 | 0 | 110 | E113 R117 | E113-E115 VanDerWaalsContact C-N 3.32Å; E113-E115 PolarHBondContact O-N 3.34Å; E115-R117 VanDerWaalsContact C-N 3.3Å; E115-R117 VanDerWaalsContact CD-NE 3.29Å; E115-R117 HydrophobicContact CG-CG 4.14Å; E115-R117 PolarHBondContact O-N 2.88Å; E115-R117 IonicContact OE1-CZ 3.44Å; E115-R117 IonicContact OE1-NE 2.69Å; E115-R117 PolarHBondContact OE1-NE 3.44Å; E115-R117 IonicContact OE1-NH2 3.93Å; E115-R117 PolarHBondContact OE1-NH2 3.31Å; E115-R117 VanDerWaalsContact OE1-NH2 3.11Å; E115-R117 IonicContact OE2-CZ 3.36Å; E115-R117 IonicContact OE2-NE 2.75Å; E115-R117 PolarHBondContact OE2-NE 3.35Å; E115-R117 IonicContact OE2-NH2 3.11Å; E115-R117 PolarHBondContact OE2-NH2 3.12Å | ||
| 116 | I | 59 | Low | 58.6 | Low | 99 Ų | 99 | 134.1 Ų | 134.1 | 51% | 0.508 | 68% | 0.683 | S | S | . | * | trans | -79.9 | 84.7 | -179.5 | -52.8 | -176.2 | 0 | 0 | 0 | 106.8 | P114 M118 P123 | P114-I116 WeakPolarHBondContact O-CG1 3.4Å; P114-I116 PolarHBondContact O-N 2.91Å; I116-M118 PolarHBondContact O-N 3.04Å; I116-P123 HydrophobicContact CG2-CB 3.51Å | ||
| 117 | R | 64.1 | Low | 60.4 | Low | 139 Ų | 139 | 136.8 Ų | 136.8 | 53% | 0.525 | 69% | 0.686 | S | S | . | * | trans | -70.4 | 119.8 | 171.7 | -66.2 | -172 | -178.1 | 172.2 | 8 | 109.6 | E115 V119 V126 | E115-R117 VanDerWaalsContact C-N 3.3Å; E115-R117 VanDerWaalsContact CD-NE 3.29Å; E115-R117 HydrophobicContact CG-CG 4.14Å; E115-R117 PolarHBondContact O-N 2.88Å; E115-R117 IonicContact OE1-CZ 3.44Å; E115-R117 IonicContact OE1-NE 2.69Å; E115-R117 PolarHBondContact OE1-NE 3.44Å; E115-R117 IonicContact OE1-NH2 3.93Å; E115-R117 PolarHBondContact OE1-NH2 3.31Å; E115-R117 VanDerWaalsContact OE1-NH2 3.11Å; E115-R117 IonicContact OE2-CZ 3.36Å; E115-R117 IonicContact OE2-NE 2.75Å; E115-R117 PolarHBondContact OE2-NE 3.35Å; E115-R117 IonicContact OE2-NH2 3.11Å; E115-R117 PolarHBondContact OE2-NH2 3.12Å; R117-V119 PolarHBondContact O-N 3.45Å; R117-V126 HydrophobicContact CB-CG2 3.96Å; R117-V126 HydrophobicContact CG-CG2 4.19Å | ||
| 118 | M | 58.8 | Low | 62.2 | Low | 146 Ų | 146 | 139.3 Ų | 139.3 | 72% | 0.719 | 69% | 0.686 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.4 | 109.5 | 173 | -62 | -178.4 | 69.7 | 0 | 0 | 108.9 | I116 | I116-M118 PolarHBondContact O-N 3.04Å |
| 119 | V | 61.6 | Low | 64.3 | Low | 78 Ų | 78 | 136.4 Ų | 136.4 | 47% | 0.473 | 68% | 0.682 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.8 | 113.9 | 170.2 | -179.3 | 0 | 0 | 0 | 0 | 107.1 | R117 | R117-V119 PolarHBondContact O-N 3.45Å |
| 120 | N | 60 | Low | 66.4 | Low | 143 Ų | 143 | 139.3 Ų | 139.3 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.4 | 39 | -174.8 | -60.2 | 94.2 | 0 | 0 | 0 | 115.2 | K122 | N120-K122 PolarHBondContact O-N 3.05Š|
| 121 | G | 68.5 | Low | 68.5 | Low | 59 Ų | 59 | 135.8 Ų | 135.8 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.7 | 9.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 122 | K | 68.3 | Low | 70.9 | Confident | 139 Ų | 139 | 134.7 Ų | 134.7 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.7 | 178.9 | -69.6 | 149.6 | 179.4 | 171.1 | 0 | 109.2 | N120 K124 | N120-K122 PolarHBondContact O-N 3.05Å; K122-K124 PolarHBondContact O-N 3.16Å |
| 123 | P | 65 | Low | 73.2 | Confident | 101 Ų | 101 | 132.7 Ų | 132.7 | 66% | 0.656 | 66% | 0.655 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.4 | 105.5 | 177.2 | 26.4 | -32.2 | 0 | 0 | 0 | 109.2 | I116 | I116-P123 HydrophobicContact CG2-CB 3.51Å |
| 124 | K | 73.2 | Confident | 75.3 | Confident | 131 Ų | 131 | 127.5 Ų | 127.5 | 57% | 0.57 | 64% | 0.637 | S | S | * | * | trans | -105.7 | 118 | 172.6 | -74.6 | -175.8 | 176.4 | 177.4 | 0 | 108.2 | K122 V126 | K122-K124 PolarHBondContact O-N 3.16Å; K124-V126 PolarHBondContact O-N 2.87Å | ||
| 125 | K | 78.9 | Confident | 77.4 | Confident | 183 Ų | 183 | 128.2 Ų | 128.2 | 80% | 0.796 | 64% | 0.644 | S | S | * | * | trans | -57.2 | 113.2 | 171.3 | -75.9 | -174.2 | 175.9 | -172 | 0 | 108.9 | R127 | K125-R127 PolarHBondContact O-N 3.42Š| ||
| 126 | V | 79.3 | Confident | 79.2 | Confident | 91 Ų | 91 | 129.2 Ų | 129.2 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 125.4 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | R117 K124 | R117-V126 HydrophobicContact CB-CG2 3.96Å; R117-V126 HydrophobicContact CG-CG2 4.19Å; K124-V126 PolarHBondContact O-N 2.87Å |
| 127 | R | 85.1 | Confident | 81.1 | Confident | 227 Ų | 227 | 126.1 Ų | 126.1 | 86% | 0.857 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 141.9 | 177 | -64.1 | 179.4 | 74.8 | 99.4 | -1.7 | 108.6 | K125 | K125-R127 PolarHBondContact O-N 3.42Š|
| 128 | K | 85 | Confident | 82.7 | Confident | 191 Ų | 191 | 123 Ų | 123 | 83% | 0.83 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 135.3 | 175 | -72 | 91.4 | 171 | -174.8 | 0 | 110 | ||
| 129 | P | 87.4 | Confident | 84.6 | Confident | 121 Ų | 121 | 118.6 Ų | 118.6 | 79% | 0.786 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -57 | 144.4 | 175.2 | 24.7 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 130 | R | 90.5 | Very high | 86.4 | Confident | 245 Ų | 245 | 115.9 Ų | 115.9 | 93% | 0.925 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 127.9 | 178.7 | -68.7 | -176.8 | -179.3 | 170 | 1.2 | 109.4 | ||
| 131 | T | 91.3 | Very high | 88.2 | Confident | 113 Ų | 113 | 109.1 Ų | 109.1 | 69% | 0.693 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -77 | 137.3 | 170.2 | -46.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 132 | I | 95.1 | Very high | 89.6 | Confident | 152 Ų | 152 | 108.6 Ų | 108.6 | 78% | 0.779 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -104 | 142.6 | 171.1 | 59.7 | 173.6 | 0 | 0 | 0 | 110 | ||
| 133 | Y | 97.8 | Very high | 91.1 | Very high | 59 Ų | 59 | 109.9 Ų | 109.9 | 23% | 0.231 | 54% | 0.543 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 146 | 174.8 | -58 | -56.3 | 0 | 0 | 0 | 110.5 | Q137 L138 L165 Q169 W173 | Y133-Q137 VanDerWaalsContact CA-OE1 3.32Å; Y133-L138 HydrophobicContact CD2-CD2 4.16Å; Y133-L138 HydrophobicContact CG-CD2 4.49Å; Y133-L165 HydrophobicContact CD1-CD1 4.06Å; Y133-L165 HydrophobicContact CD1-CD2 3.83Å; Y133-L165 HydrophobicContact CE1-CD1 3.99Å; Y133-L165 HydrophobicContact CE1-CD2 3.77Å; Y133-Q169 HydrophobicContact CE1-CB 4.36Å; Y133-Q169 HydrophobicContact CE1-CG 4.49Å; Y133-Q169 WeakPolarHBondContact OH-CB 3.49Å; Y133-W173 AromaticContact CD2-CD1 3.78Å; Y133-W173 AromaticContact CE2-CD1 3.62Å; Y133-W173 HydrophobicContact CE2-CG 4.45Å |
| 134 | S | 98.4 | Very high | 92.6 | Very high | 55 Ų | 55 | 108.7 Ų | 108.7 | 39% | 0.385 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 162.6 | 176 | 76.8 | 0 | 0 | 0 | 0 | 112 | F136 Q137 L138 | S134-F136 VanDerWaalsContact C-N 3.3Å; S134-F136 PolarHBondContact O-N 3.16Å; S134-Q137 PolarHBondContact O-N 2.92Å; S134-Q137 WeakPolarHBondContact OG-CG 3.44Å; S134-Q137 PolarHBondContact OG-N 3.33Å; S134-L138 WeakPolarHBondContact O-CG 3.44Å; S134-L138 PolarHBondContact O-N 3.02Å |
| 135 | S | 98 | Very high | 93.8 | Very high | 103 Ų | 103 | 102.7 Ų | 102.7 | 72% | 0.72 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -56.5 | -44.1 | 176.2 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | L138 A139 | S135-L138 PolarHBondContact O-N 3Å; S135-A139 WeakPolarHBondContact O-CB 3.34Å; S135-A139 PolarHBondContact O-N 3.35Å |
| 136 | F | 98.3 | Very high | 94.7 | Very high | 139 Ų | 139 | 99.8 Ų | 99.8 | 61% | 0.61 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.8 | -47.5 | 175.8 | 172.6 | -101.8 | 0 | 0 | 0 | 112.1 | S134 L138 A139 A140 L163 | S134-F136 VanDerWaalsContact C-N 3.3Å; S134-F136 PolarHBondContact O-N 3.16Å; F136-L138 PolarHBondContact O-N 3.5Å; F136-A139 PolarHBondContact O-N 2.98Å; F136-A140 PolarHBondContact O-N 3.06Å; F136-L163 HydrophobicContact CD1-CD2 4.23Å; F136-L163 HydrophobicContact CE1-CD2 3.67Å; F136-L163 HydrophobicContact CZ-CD2 4.36Å |
| 137 | Q | 98.6 | Very high | 95.6 | Very high | 34 Ų | 34 | 103 Ų | 103 | 16% | 0.159 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 178.4 | -71.9 | 171.9 | -21.2 | 0 | 0 | 111.3 | Y133 S134 A139 A140 L141 L163 | Y133-Q137 VanDerWaalsContact CA-OE1 3.32Å; S134-Q137 PolarHBondContact O-N 2.92Å; S134-Q137 WeakPolarHBondContact OG-CG 3.44Å; S134-Q137 PolarHBondContact OG-N 3.33Å; Q137-A139 PolarHBondContact O-N 2.79Å; Q137-A140 PolarHBondContact O-N 3.5Å; Q137-L141 WeakPolarHBondContact O-CB 3.24Å; Q137-L141 WeakPolarHBondContact O-CD1 3.4Å; Q137-L141 WeakPolarHBondContact O-CG 3.42Å; Q137-L141 PolarHBondContact O-N 3.24Å; Q137-L163 HydrophobicContact CG-CB 4.35Å; Q137-L163 PolarHBondContact NE2-O 3Å |
| 138 | L | 98.4 | Very high | 96.2 | Very high | 74 Ų | 74 | 94.2 Ų | 94.2 | 39% | 0.387 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 178.4 | -68.4 | 175.7 | 0 | 0 | 0 | 112.2 | Y133 S134 S135 F136 L141 Q142 | Y133-L138 HydrophobicContact CD2-CD2 4.16Å; Y133-L138 HydrophobicContact CG-CD2 4.49Å; S134-L138 WeakPolarHBondContact O-CG 3.44Å; S134-L138 PolarHBondContact O-N 3.02Å; S135-L138 PolarHBondContact O-N 3Å; F136-L138 PolarHBondContact O-N 3.5Å; L138-L141 PolarHBondContact O-N 2.96Å; L138-Q142 VanDerWaalsContact O-CB 3.24Å; L138-Q142 WeakPolarHBondContact O-CB 3.32Å; L138-Q142 PolarHBondContact O-N 3.43Å |
| 139 | A | 98.4 | Very high | 96.8 | Very high | 53 Ų | 53 | 88.4 Ų | 88.4 | 44% | 0.438 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S135 F136 Q137 Q142 R143 | S135-A139 WeakPolarHBondContact O-CB 3.34Å; S135-A139 PolarHBondContact O-N 3.35Å; F136-A139 PolarHBondContact O-N 2.98Å; Q137-A139 PolarHBondContact O-N 2.79Å; A139-Q142 PolarHBondContact O-N 2.95Å; A139-R143 WeakPolarHBondContact O-CB 3.37Å; A139-R143 PolarHBondContact O-N 3.23Å |
| 140 | A | 98.3 | Very high | 97.3 | Very high | 21 Ų | 21 | 89.8 Ų | 89.8 | 17% | 0.174 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F136 Q137 Q142 R143 R144 L163 | F136-A140 PolarHBondContact O-N 3.06Å; Q137-A140 PolarHBondContact O-N 3.5Å; A140-Q142 VanDerWaalsContact C-N 3.31Å; A140-Q142 PolarHBondContact O-N 3.1Å; A140-R143 PolarHBondContact O-N 3.28Å; A140-R144 PolarHBondContact O-N 3.18Å; A140-L163 HydrophobicContact CB-CD1 4.1Å; A140-L163 HydrophobicContact CB-CD2 3.66Å; A140-L163 HydrophobicContact CB-CG 4.46Å |
| 141 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 175.1 | -72.6 | 164.8 | 0 | 0 | 0 | 111.2 | Q137 L138 R144 F145 L159 L163 L165 V170 W173 F174 | Q137-L141 WeakPolarHBondContact O-CB 3.24Å; Q137-L141 WeakPolarHBondContact O-CD1 3.4Å; Q137-L141 WeakPolarHBondContact O-CG 3.42Å; Q137-L141 PolarHBondContact O-N 3.24Å; L138-L141 PolarHBondContact O-N 2.96Å; L141-R144 PolarHBondContact O-N 3.46Å; L141-F145 WeakPolarHBondContact O-CB 3.42Å; L141-F145 PolarHBondContact O-N 3.46Å; L141-L159 HydrophobicContact CD2-CD2 3.97Å; L141-L163 HydrophobicContact CD2-CD1 4.05Å; L141-L163 HydrophobicContact CG-CD1 3.84Å; L141-L165 HydrophobicContact CD1-CD1 4.33Å; L141-V170 HydrophobicContact CD2-CG1 4.28Å; L141-W173 HydrophobicContact CB-CD2 3.99Å; L141-W173 HydrophobicContact CB-CE3 3.94Å; L141-W173 HydrophobicContact CB-CH2 3.69Å; L141-W173 HydrophobicContact CB-CZ2 3.7Å; L141-W173 HydrophobicContact CB-CZ3 3.8Å; L141-W173 HydrophobicContact CD1-CD2 3.88Å; L141-W173 HydrophobicContact CD1-CG 3.88Å; L141-W173 HydrophobicContact CD2-CD2 4.37Å; L141-W173 HydrophobicContact CD2-CE3 4.27Å; L141-W173 HydrophobicContact CG-CD2 4.31Å; L141-W173 HydrophobicContact CG-CE3 4.48Å; L141-F174 HydrophobicContact CD2-CE2 3.97Å |
| 142 | Q | 98.4 | Very high | 98 | Very high | 48 Ų | 48 | 76 Ų | 76 | 22% | 0.224 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 178 | -178.3 | 61.3 | 20.1 | 0 | 0 | 112.1 | L138 A139 A140 R144 F145 Q146 W173 R177 | L138-Q142 VanDerWaalsContact O-CB 3.24Å; L138-Q142 WeakPolarHBondContact O-CB 3.32Å; L138-Q142 PolarHBondContact O-N 3.43Å; A139-Q142 PolarHBondContact O-N 2.95Å; A140-Q142 VanDerWaalsContact C-N 3.31Å; A140-Q142 PolarHBondContact O-N 3.1Å; Q142-R144 VanDerWaalsContact C-N 3.32Å; Q142-R144 PolarHBondContact O-N 3.48Å; Q142-F145 WeakPolarHBondContact O-CB 3.47Å; Q142-F145 PolarHBondContact O-N 2.95Å; Q142-F145 VanDerWaalsContact O-N 3.16Å; Q142-Q146 PolarHBondContact O-N 3Å; Q142-W173 HydrophobicContact CB-CH2 4.49Å; Q142-R177 VanDerWaalsContact NE2-NH2 3.18Å; Q142-R177 VanDerWaalsContact OE1-NE 3.12Å |
| 143 | R | 98.3 | Very high | 98.1 | Very high | 165 Ų | 165 | 74 Ų | 74 | 62% | 0.623 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.3 | -42.7 | 176.2 | -174.8 | -173.1 | -64 | 162.6 | -0.8 | 111.4 | A139 A140 | A139-R143 WeakPolarHBondContact O-CB 3.37Å; A139-R143 PolarHBondContact O-N 3.23Å; A140-R143 PolarHBondContact O-N 3.28Å |
| 144 | R | 98.1 | Very high | 98.1 | Very high | 76 Ų | 76 | 75.2 Ų | 75.2 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 175.8 | -171.4 | 67.6 | -176.5 | -164.2 | 3.8 | 111.6 | A140 L141 Q142 Q146 K147 T148 L151 E155 L159 F174 | A140-R144 PolarHBondContact O-N 3.18Å; L141-R144 PolarHBondContact O-N 3.46Å; Q142-R144 VanDerWaalsContact C-N 3.32Å; Q142-R144 PolarHBondContact O-N 3.48Å; R144-Q146 VanDerWaalsContact C-N 3.29Å; R144-Q146 PolarHBondContact O-N 3.32Å; R144-K147 WeakPolarHBondContact O-CB 3.32Å; R144-K147 PolarHBondContact O-N 2.94Å; R144-T148 PolarHBondContact NE-OG1 3.09Å; R144-T148 PolarHBondContact O-N 3.34Å; R144-T148 PolarHBondContact O-OG1 3.48Å; R144-L151 HydrophobicContact CG-CD2 3.83Å; R144-E155 IonicContact CZ-OE1 3.48Å; R144-E155 IonicContact NH2-OE1 2.91Å; R144-E155 PolarHBondContact NH2-OE1 2.69Å; R144-L159 HydrophobicContact CB-CD2 4.19Å; R144-L159 HydrophobicContact CG-CD2 4.13Å; R144-F174 HydrophobicContact CB-CZ 4.35Å; R144-F174 HydrophobicContact CG-CZ 4.26Å |
| 145 | F | 98.3 | Very high | 98.1 | Very high | 6 Ų | 6 | 75.1 Ų | 75.1 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.7 | -36.1 | 178.6 | -174 | -94.8 | 0 | 0 | 0 | 113.4 | L141 Q142 K147 T148 Q149 W173 F174 R177 R178 F181 | L141-F145 WeakPolarHBondContact O-CB 3.42Å; L141-F145 PolarHBondContact O-N 3.46Å; Q142-F145 WeakPolarHBondContact O-CB 3.47Å; Q142-F145 PolarHBondContact O-N 2.95Å; Q142-F145 VanDerWaalsContact O-N 3.16Å; F145-K147 VanDerWaalsContact C-N 3.26Å; F145-K147 PolarHBondContact O-N 2.92Å; F145-T148 CarbonylContact O-C 3.48Å; F145-Q149 HydrophobicContact CD2-CB 4.43Å; F145-Q149 HydrophobicContact CE1-CG 4.09Å; F145-Q149 HydrophobicContact CE2-CB 3.84Å; F145-Q149 HydrophobicContact CE2-CG 4Å; F145-Q149 HydrophobicContact CZ-CB 4.05Å; F145-Q149 HydrophobicContact CZ-CG 3.75Å; F145-W173 HydrophobicContact CB-CH2 4.46Å; F145-W173 HydrophobicContact CB-CZ3 4.18Å; F145-W173 HydrophobicContact CD2-CZ3 4.44Å; F145-F174 HydrophobicContact CB-CE1 4.25Å; F145-F174 HydrophobicContact CB-CZ 4.43Å; F145-F174 AromaticContact CD2-CD1 3.86Å; F145-F174 HydrophobicContact CD2-CD1 3.86Å; F145-F174 AromaticContact CD2-CE1 3.82Å; F145-F174 HydrophobicContact CD2-CE1 3.82Å; F145-F174 HydrophobicContact CE2-CD1 4.48Å; F145-R177 HydrophobicContact CD1-CG 3.84Å; F145-R177 HydrophobicContact CD2-CB 4.2Å; F145-R177 HydrophobicContact CD2-CG 3.64Å; F145-R177 HydrophobicContact CE1-CG 3.79Å; F145-R177 HydrophobicContact CE2-CB 4.03Å; F145-R177 HydrophobicContact CE2-CG 3.6Å; F145-R177 HydrophobicContact CG-CG 3.77Å; F145-R177 HydrophobicContact CZ-CB 4.43Å; F145-R177 HydrophobicContact CZ-CG 3.67Å; F145-R178 HydrophobicContact CE2-CG 3.74Å; F145-R178 HydrophobicContact CZ-CG 4.13Å; F145-F181 HydrophobicContact CE1-CD2 4.38Å; F145-F181 HydrophobicContact CZ-CB 4.49Å |
| 146 | Q | 97.8 | Very high | 98.2 | Very high | 121 Ų | 121 | 72.8 Ų | 72.8 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.5 | -34.6 | 174.3 | -72.9 | 170 | -15.2 | 0 | 0 | 112.3 | Q142 R144 | Q142-Q146 PolarHBondContact O-N 3Å; R144-Q146 VanDerWaalsContact C-N 3.29Å; R144-Q146 PolarHBondContact O-N 3.32Å |
| 147 | K | 97.5 | Very high | 98.2 | Very high | 158 Ų | 158 | 67.9 Ų | 67.9 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -78.8 | -47.3 | 177.4 | -60.8 | -175.4 | 177.7 | -170.5 | 0 | 112 | R144 F145 | R144-K147 WeakPolarHBondContact O-CB 3.32Å; R144-K147 PolarHBondContact O-N 2.94Å; F145-K147 VanDerWaalsContact C-N 3.26Å; F145-K147 PolarHBondContact O-N 2.92Å |
| 148 | T | 97.3 | Very high | 98.2 | Very high | 43 Ų | 43 | 72.2 Ų | 72.2 | 26% | 0.264 | 36% | 0.36 | S | S | . | . | trans | -143.9 | 117.6 | -174 | 53.7 | 0 | 0 | 0 | 0 | 109.5 | R144 F145 Y150 L151 F174 | R144-T148 PolarHBondContact NE-OG1 3.09Å; R144-T148 PolarHBondContact O-N 3.34Å; R144-T148 PolarHBondContact O-OG1 3.48Å; F145-T148 CarbonylContact O-C 3.48Å; T148-Y150 VanDerWaalsContact C-N 3.26Å; T148-Y150 PolarHBondContact O-N 3.25Å; T148-L151 WeakPolarHBondContact OG1-CD2 3.36Å; T148-F174 WeakPolarHBondContact O-CE1 3.41Å | ||
| 149 | Q | 97.8 | Very high | 98.2 | Very high | 70 Ų | 70 | 69.9 Ų | 69.9 | 33% | 0.327 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -77.9 | -13.8 | 179.9 | -61.4 | -173.4 | -20.2 | 0 | 0 | 113.5 | F145 F174 R178 F181 | F145-Q149 HydrophobicContact CD2-CB 4.43Å; F145-Q149 HydrophobicContact CE1-CG 4.09Å; F145-Q149 HydrophobicContact CE2-CB 3.84Å; F145-Q149 HydrophobicContact CE2-CG 4Å; F145-Q149 HydrophobicContact CZ-CB 4.05Å; F145-Q149 HydrophobicContact CZ-CG 3.75Å; Q149-F174 WeakPolarHBondContact O-CD1 3.14Å; Q149-R178 WeakPolarHBondContact O-CD 3.46Å; Q149-F181 VanDerWaalsContact NE2-CE1 3.33Å |
| 150 | Y | 98.3 | Very high | 98.2 | Very high | 149 Ų | 149 | 67.5 Ų | 67.5 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -129.3 | 129.9 | 179.1 | -64.8 | -103 | 0 | 0 | 0 | 107.7 | T148 R178 | T148-Y150 VanDerWaalsContact C-N 3.26Å; T148-Y150 PolarHBondContact O-N 3.25Å; Y150-R178 VanDerWaalsContact CZ-NH1 3.28Å; Y150-R178 PolarHBondContact OH-NH1 2.97Å |
| 151 | L | 97.9 | Very high | 98.2 | Very high | 18 Ų | 18 | 70.3 Ų | 70.3 | 9% | 0.094 | 35% | 0.352 | C | S | . | . | trans | -104.6 | 131.6 | 176.7 | -65.7 | 179.3 | 0 | 0 | 0 | 110.4 | R144 T148 E155 R156 L159 V170 F174 | R144-L151 HydrophobicContact CG-CD2 3.83Å; T148-L151 WeakPolarHBondContact OG1-CD2 3.36Å; L151-E155 HydrophobicContact CD2-CB 4.19Å; L151-R156 HydrophobicContact CB-CB 4.29Å; L151-R156 PolarHBondContact O-NH2 3.4Å; L151-L159 HydrophobicContact CD1-CD2 3.72Å; L151-V170 HydrophobicContact CD1-CG1 3.99Å; L151-F174 HydrophobicContact CD1-CD1 4.44Å; L151-F174 HydrophobicContact CD1-CD2 4.06Å; L151-F174 HydrophobicContact CD1-CE1 3.93Å; L151-F174 HydrophobicContact CD1-CE2 3.5Å; L151-F174 VanDerWaalsContact CD1-CE2 3.5Å; L151-F174 HydrophobicContact CD1-CZ 3.43Å; L151-F174 VanDerWaalsContact CD1-CZ 3.43Å; L151-F174 HydrophobicContact CD2-CE1 4.35Å; L151-F174 HydrophobicContact CD2-CZ 4.31Å; L151-F174 HydrophobicContact CG-CD1 4.21Å; L151-F174 HydrophobicContact CG-CE1 3.73Å; L151-F174 HydrophobicContact CG-CE2 4.24Å; L151-F174 HydrophobicContact CG-CZ 3.76Å | ||
| 152 | A | 98 | Very high | 98.2 | Very high | 52 Ų | 52 | 74.8 Ų | 74.8 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | trans | -65.3 | 164.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P154 E155 R156 | A152-P154 HydrophobicContact CB-CG 4.35Å; A152-E155 HydrophobicContact CB-CG 4.3Å; A152-E155 PolarHBondContact N-OE2 3.28Å; A152-E155 PolarHBondContact O-N 3.11Å; A152-R156 VanDerWaalsContact O-CB 3.32Å; A152-R156 WeakPolarHBondContact O-CB 3.41Å; A152-R156 PolarHBondContact O-N 3.48Å | ||
| 153 | L | 98.3 | Very high | 98.2 | Very high | 109 Ų | 109 | 73.2 Ų | 73.2 | 57% | 0.571 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -55.5 | -49 | 179.4 | -171.1 | 63.4 | 0 | 0 | 0 | 113.6 | R156 A157 | L153-R156 PolarHBondContact O-N 2.86Å; L153-A157 PolarHBondContact O-N 2.97Å; L153-A157 VanDerWaalsContact O-N 3.1Å |
| 154 | P | 98.2 | Very high | 98.2 | Very high | 84 Ų | 84 | 68.6 Ų | 68.6 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 179.7 | 22.3 | -33.4 | 0 | 0 | 0 | 112.5 | A152 R156 A157 E158 | A152-P154 HydrophobicContact CB-CG 4.35Å; P154-R156 PolarHBondContact O-N 2.89Å; P154-A157 WeakPolarHBondContact O-CB 3.41Å; P154-A157 PolarHBondContact O-N 3.32Å; P154-E158 PolarHBondContact O-N 3.07Å |
| 155 | E | 98.3 | Very high | 98.2 | Very high | 53 Ų | 53 | 66 Ų | 66 | 25% | 0.248 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.9 | -35.4 | 179.6 | -54 | 177.2 | 118.7 | 0 | 0 | 112.4 | R144 L151 A152 L159 | R144-E155 IonicContact CZ-OE1 3.48Å; R144-E155 IonicContact NH2-OE1 2.91Å; R144-E155 PolarHBondContact NH2-OE1 2.69Å; L151-E155 HydrophobicContact CD2-CB 4.19Å; A152-E155 HydrophobicContact CB-CG 4.3Å; A152-E155 PolarHBondContact N-OE2 3.28Å; A152-E155 PolarHBondContact O-N 3.11Å; E155-L159 WeakPolarHBondContact O-CB 3.3Å; E155-L159 PolarHBondContact O-N 3.27Å |
| 156 | R | 98.7 | Very high | 98.2 | Very high | 55 Ų | 55 | 69.3 Ų | 69.3 | 21% | 0.208 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 175.1 | -174.6 | -169.3 | -55.8 | 156.4 | 9.8 | 111.2 | L151 A152 L153 P154 A160 Q167 V170 | L151-R156 HydrophobicContact CB-CB 4.29Å; L151-R156 PolarHBondContact O-NH2 3.4Å; A152-R156 VanDerWaalsContact O-CB 3.32Å; A152-R156 WeakPolarHBondContact O-CB 3.41Å; A152-R156 PolarHBondContact O-N 3.48Å; L153-R156 PolarHBondContact O-N 2.86Å; P154-R156 PolarHBondContact O-N 2.89Å; R156-A160 WeakPolarHBondContact O-CB 3.37Å; R156-A160 PolarHBondContact O-N 3.42Å; R156-Q167 WeakPolarHBondContact CD-O 3.33Å; R156-Q167 HydrophobicContact CG-CB 4.27Å; R156-V170 HydrophobicContact CG-CB 4.16Å; R156-V170 HydrophobicContact CG-CG1 4Å |
| 157 | A | 98.6 | Very high | 98.2 | Very high | 35 Ų | 35 | 67.6 Ų | 67.6 | 29% | 0.289 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L153 P154 A160 A161 Q167 | L153-A157 PolarHBondContact O-N 2.97Å; L153-A157 VanDerWaalsContact O-N 3.1Å; P154-A157 WeakPolarHBondContact O-CB 3.41Å; P154-A157 PolarHBondContact O-N 3.32Å; A157-A160 PolarHBondContact O-N 3.18Å; A157-A161 WeakPolarHBondContact O-CB 3.2Å; A157-A161 PolarHBondContact O-N 3.4Å; A157-Q167 HydrophobicContact CB-CG 4.5Å |
| 158 | E | 98.5 | Very high | 98.3 | Very high | 126 Ų | 126 | 64.4 Ų | 64.4 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.9 | -46.6 | 177.1 | -69.6 | 172.9 | -170.5 | 0 | 0 | 112.4 | P154 A160 A161 S162 | P154-E158 PolarHBondContact O-N 3.07Å; E158-A160 VanDerWaalsContact C-N 3.35Å; E158-A160 PolarHBondContact O-N 3.4Å; E158-A161 PolarHBondContact O-N 3.48Å; E158-S162 WeakPolarHBondContact O-CB 3.43Å; E158-S162 PolarHBondContact O-N 3.2Å; E158-S162 PolarHBondContact O-OG 3.01Å |
| 159 | L | 98.5 | Very high | 98.3 | Very high | 24 Ų | 24 | 64.8 Ų | 64.8 | 13% | 0.126 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 179.5 | -174.4 | 61.7 | 0 | 0 | 0 | 112 | L141 R144 L151 E155 S162 L163 V170 F174 | L141-L159 HydrophobicContact CD2-CD2 3.97Å; R144-L159 HydrophobicContact CB-CD2 4.19Å; R144-L159 HydrophobicContact CG-CD2 4.13Å; L151-L159 HydrophobicContact CD1-CD2 3.72Å; E155-L159 WeakPolarHBondContact O-CB 3.3Å; E155-L159 PolarHBondContact O-N 3.27Å; L159-S162 PolarHBondContact O-N 2.93Å; L159-L163 HydrophobicContact CD1-CD1 3.85Å; L159-L163 HydrophobicContact CD1-CG 4.22Å; L159-L163 HydrophobicContact CG-CD1 4.09Å; L159-L163 WeakPolarHBondContact O-CB 3.4Å; L159-L163 WeakPolarHBondContact O-CG 3.4Å; L159-L163 PolarHBondContact O-N 3.24Å; L159-V170 HydrophobicContact CD2-CG1 4.08Å; L159-F174 HydrophobicContact CD2-CE2 4.04Å; L159-F174 HydrophobicContact CD2-CZ 4.39Å |
| 160 | A | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 61.5 Ų | 61.5 | 3% | 0.033 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R156 A157 E158 S162 L163 G164 L165 Q167 V170 | R156-A160 WeakPolarHBondContact O-CB 3.37Å; R156-A160 PolarHBondContact O-N 3.42Å; A157-A160 PolarHBondContact O-N 3.18Å; E158-A160 VanDerWaalsContact C-N 3.35Å; E158-A160 PolarHBondContact O-N 3.4Å; A160-S162 PolarHBondContact O-N 3.32Å; A160-L163 PolarHBondContact O-N 3.44Å; A160-G164 PolarHBondContact O-N 3.5Å; A160-G164 VanDerWaalsContact O-N 3.09Å; A160-L165 CarbonylContact C-O 3.41Å; A160-L165 VanDerWaalsContact CB-O 3.32Å; A160-L165 WeakPolarHBondContact CB-O 3.33Å; A160-L165 PolarHBondContact O-N 2.85Å; A160-Q167 HydrophobicContact CB-CG 4.18Å; A160-V170 HydrophobicContact CB-CG2 3.94Å |
| 161 | A | 98.5 | Very high | 98.3 | Very high | 80 Ų | 80 | 59.4 Ų | 59.4 | 66% | 0.661 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.2 | -46.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A157 E158 L163 G164 | A157-A161 WeakPolarHBondContact O-CB 3.2Å; A157-A161 PolarHBondContact O-N 3.4Å; E158-A161 PolarHBondContact O-N 3.48Å; A161-L163 PolarHBondContact O-N 3.23Å; A161-G164 PolarHBondContact O-N 3.27Å |
| 162 | S | 98.3 | Very high | 98.4 | Very high | 94 Ų | 94 | 62.2 Ų | 62.2 | 66% | 0.657 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63 | -27.7 | -178.8 | -57.1 | 0 | 0 | 0 | 0 | 113.7 | E158 L159 A160 | E158-S162 WeakPolarHBondContact O-CB 3.43Å; E158-S162 PolarHBondContact O-N 3.2Å; E158-S162 PolarHBondContact O-OG 3.01Å; L159-S162 PolarHBondContact O-N 2.93Å; A160-S162 PolarHBondContact O-N 3.32Å |
| 163 | L | 98.2 | Very high | 98.4 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -103.8 | -1.3 | -176.5 | -64 | -177.3 | 0 | 0 | 0 | 114 | F136 Q137 A140 L141 L159 A160 A161 L165 | F136-L163 HydrophobicContact CD1-CD2 4.23Å; F136-L163 HydrophobicContact CE1-CD2 3.67Å; F136-L163 HydrophobicContact CZ-CD2 4.36Å; Q137-L163 HydrophobicContact CG-CB 4.35Å; Q137-L163 PolarHBondContact NE2-O 3Å; A140-L163 HydrophobicContact CB-CD1 4.1Å; A140-L163 HydrophobicContact CB-CD2 3.66Å; A140-L163 HydrophobicContact CB-CG 4.46Å; L141-L163 HydrophobicContact CD2-CD1 4.05Å; L141-L163 HydrophobicContact CG-CD1 3.84Å; L159-L163 HydrophobicContact CD1-CD1 3.85Å; L159-L163 HydrophobicContact CD1-CG 4.22Å; L159-L163 HydrophobicContact CG-CD1 4.09Å; L159-L163 WeakPolarHBondContact O-CB 3.4Å; L159-L163 WeakPolarHBondContact O-CG 3.4Å; L159-L163 PolarHBondContact O-N 3.24Å; A160-L163 PolarHBondContact O-N 3.44Å; A161-L163 PolarHBondContact O-N 3.23Å; L163-L165 VanDerWaalsContact C-N 3.27Å; L163-L165 HydrophobicContact CB-CD1 4.14Å; L163-L165 HydrophobicContact CB-CG 4Å; L163-L165 HydrophobicContact CD1-CD1 4.41Å; L163-L165 PolarHBondContact O-N 3.37Å |
| 164 | G | 98.2 | Very high | 98.4 | Very high | 68 Ų | 68 | 56.5 Ų | 56.5 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 33.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A160 A161 | A160-G164 PolarHBondContact O-N 3.5Å; A160-G164 VanDerWaalsContact O-N 3.09Å; A161-G164 PolarHBondContact O-N 3.27Å |
| 165 | L | 98.2 | Very high | 98.4 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | trans | -111.7 | 160.9 | 179 | -62.1 | -177.9 | 0 | 0 | 0 | 110.4 | Y133 L141 A160 L163 Q169 V170 | Y133-L165 HydrophobicContact CD1-CD1 4.06Å; Y133-L165 HydrophobicContact CD1-CD2 3.83Å; Y133-L165 HydrophobicContact CE1-CD1 3.99Å; Y133-L165 HydrophobicContact CE1-CD2 3.77Å; L141-L165 HydrophobicContact CD1-CD1 4.33Å; A160-L165 CarbonylContact C-O 3.41Å; A160-L165 VanDerWaalsContact CB-O 3.32Å; A160-L165 WeakPolarHBondContact CB-O 3.33Å; A160-L165 PolarHBondContact O-N 2.85Å; L163-L165 VanDerWaalsContact C-N 3.27Å; L163-L165 HydrophobicContact CB-CD1 4.14Å; L163-L165 HydrophobicContact CB-CG 4Å; L163-L165 HydrophobicContact CD1-CD1 4.41Å; L163-L165 PolarHBondContact O-N 3.37Å; L165-Q169 HydrophobicContact CB-CB 4.44Å; L165-V170 HydrophobicContact CB-CG2 4.21Å; L165-V170 HydrophobicContact CD1-CG2 4.46Å | ||
| 166 | T | 98.4 | Very high | 98.4 | Very high | 76 Ų | 76 | 58.6 Ų | 58.6 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | trans | -79.6 | 151.4 | 169.3 | 63.6 | 0 | 0 | 0 | 0 | 110.8 | T168 Q169 V170 | T166-T168 PolarHBondContact O-N 3.46Å; T166-T168 VanDerWaalsContact O-N 3.16Å; T166-Q169 WeakPolarHBondContact O-CB 3.32Å; T166-Q169 PolarHBondContact O-N 3.43Å; T166-Q169 WeakPolarHBondContact OG1-CB 3.45Å; T166-Q169 VanDerWaalsContact OG1-CG 3.24Å; T166-Q169 WeakPolarHBondContact OG1-CG 3.4Å; T166-Q169 PolarHBondContact OG1-N 3.16Å; T166-Q169 VanDerWaalsContact OG1-N 3.16Å; T166-Q169 PolarHBondContact OG1-OE1 3.42Å; T166-V170 PolarHBondContact O-N 2.93Å; T166-V170 VanDerWaalsContact O-N 3.12Å | ||
| 167 | Q | 98.4 | Very high | 98.3 | Very high | 86 Ų | 86 | 59.5 Ų | 59.5 | 40% | 0.402 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.4 | -36.6 | 173.5 | -66.3 | -175.2 | 37.2 | 0 | 0 | 111.9 | R156 A157 A160 V170 K171 | R156-Q167 WeakPolarHBondContact CD-O 3.33Å; R156-Q167 HydrophobicContact CG-CB 4.27Å; A157-Q167 HydrophobicContact CB-CG 4.5Å; A160-Q167 HydrophobicContact CB-CG 4.18Å; Q167-V170 PolarHBondContact O-N 3.05Å; Q167-K171 WeakPolarHBondContact O-CB 3.35Å; Q167-K171 PolarHBondContact O-N 3.36Å |
| 168 | T | 98.3 | Very high | 98.3 | Very high | 90 Ų | 90 | 61.2 Ų | 61.2 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 177.2 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | T166 K171 I172 | T166-T168 PolarHBondContact O-N 3.46Å; T166-T168 VanDerWaalsContact O-N 3.16Å; T168-K171 WeakPolarHBondContact O-CB 3.42Å; T168-K171 PolarHBondContact O-N 3.43Å; T168-I172 HydrophobicContact CG2-CD1 3.83Å; T168-I172 HydrophobicContact CG2-CG1 4.4Å; T168-I172 VanDerWaalsContact O-CG1 3.3Å; T168-I172 WeakPolarHBondContact O-CG1 3.37Å; T168-I172 PolarHBondContact O-N 2.93Å |
| 169 | Q | 98.1 | Very high | 98.3 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 24% | 0.243 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 175.3 | -80.1 | 165.7 | -41.3 | 0 | 0 | 111.6 | Y133 L165 T166 K171 I172 W173 | Y133-Q169 HydrophobicContact CE1-CB 4.36Å; Y133-Q169 HydrophobicContact CE1-CG 4.49Å; Y133-Q169 WeakPolarHBondContact OH-CB 3.49Å; L165-Q169 HydrophobicContact CB-CB 4.44Å; T166-Q169 WeakPolarHBondContact O-CB 3.32Å; T166-Q169 PolarHBondContact O-N 3.43Å; T166-Q169 WeakPolarHBondContact OG1-CB 3.45Å; T166-Q169 VanDerWaalsContact OG1-CG 3.24Å; T166-Q169 WeakPolarHBondContact OG1-CG 3.4Å; T166-Q169 PolarHBondContact OG1-N 3.16Å; T166-Q169 VanDerWaalsContact OG1-N 3.16Å; T166-Q169 PolarHBondContact OG1-OE1 3.42Å; Q169-K171 PolarHBondContact O-N 3.41Å; Q169-I172 PolarHBondContact O-N 3.4Å; Q169-W173 WeakPolarHBondContact O-CB 3.46Å; Q169-W173 PolarHBondContact O-N 3.43Å |
| 170 | V | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 175 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | L141 L151 R156 L159 A160 L165 T166 Q167 I172 W173 F174 | L141-V170 HydrophobicContact CD2-CG1 4.28Å; L151-V170 HydrophobicContact CD1-CG1 3.99Å; R156-V170 HydrophobicContact CG-CB 4.16Å; R156-V170 HydrophobicContact CG-CG1 4Å; L159-V170 HydrophobicContact CD2-CG1 4.08Å; A160-V170 HydrophobicContact CB-CG2 3.94Å; L165-V170 HydrophobicContact CB-CG2 4.21Å; L165-V170 HydrophobicContact CD1-CG2 4.46Å; T166-V170 PolarHBondContact O-N 2.93Å; T166-V170 VanDerWaalsContact O-N 3.12Å; Q167-V170 PolarHBondContact O-N 3.05Å; V170-I172 PolarHBondContact O-N 2.98Å; V170-W173 PolarHBondContact O-N 3.32Å; V170-F174 HydrophobicContact CG1-CD2 3.86Å; V170-F174 HydrophobicContact CG1-CE2 3.97Å; V170-F174 WeakPolarHBondContact O-CD2 3.24Å; V170-F174 PolarHBondContact O-N 2.9Å |
| 171 | K | 98.4 | Very high | 97.9 | Very high | 105 Ų | 105 | 66.5 Ų | 66.5 | 46% | 0.457 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 177.4 | -170.5 | -164.2 | 173.1 | 178.9 | 0 | 112 | Q167 T168 Q169 Q175 | Q167-K171 WeakPolarHBondContact O-CB 3.35Å; Q167-K171 PolarHBondContact O-N 3.36Å; T168-K171 WeakPolarHBondContact O-CB 3.42Å; T168-K171 PolarHBondContact O-N 3.43Å; Q169-K171 PolarHBondContact O-N 3.41Å; K171-Q175 WeakPolarHBondContact O-CG 3.42Å; K171-Q175 PolarHBondContact O-N 2.92Å; K171-Q175 VanDerWaalsContact O-N 3.11Å; K171-Q175 PolarHBondContact O-NE2 3.37Å |
| 172 | I | 98.4 | Very high | 97.8 | Very high | 78 Ų | 78 | 69.1 Ų | 69.1 | 40% | 0.4 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.6 | -44.1 | 179.2 | -69.8 | 168.4 | 0 | 0 | 0 | 110.2 | T168 Q169 V170 F174 Q175 N176 | T168-I172 HydrophobicContact CG2-CD1 3.83Å; T168-I172 HydrophobicContact CG2-CG1 4.4Å; T168-I172 VanDerWaalsContact O-CG1 3.3Å; T168-I172 WeakPolarHBondContact O-CG1 3.37Å; T168-I172 PolarHBondContact O-N 2.93Å; Q169-I172 PolarHBondContact O-N 3.4Å; V170-I172 PolarHBondContact O-N 2.98Å; I172-F174 VanDerWaalsContact C-N 3.35Å; I172-F174 PolarHBondContact O-N 3.47Å; I172-Q175 PolarHBondContact O-N 3.32Å; I172-N176 PolarHBondContact O-N 2.93Å |
| 173 | W | 98.3 | Very high | 97.6 | Very high | 32 Ų | 32 | 72.4 Ų | 72.4 | 12% | 0.121 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 178.2 | -170.7 | 99.9 | 0 | 0 | 0 | 111.5 | Y133 L141 Q142 F145 Q169 V170 Q175 N176 R177 | Y133-W173 AromaticContact CD2-CD1 3.78Å; Y133-W173 AromaticContact CE2-CD1 3.62Å; Y133-W173 HydrophobicContact CE2-CG 4.45Å; L141-W173 HydrophobicContact CB-CD2 3.99Å; L141-W173 HydrophobicContact CB-CE3 3.94Å; L141-W173 HydrophobicContact CB-CH2 3.69Å; L141-W173 HydrophobicContact CB-CZ2 3.7Å; L141-W173 HydrophobicContact CB-CZ3 3.8Å; L141-W173 HydrophobicContact CD1-CD2 3.88Å; L141-W173 HydrophobicContact CD1-CG 3.88Å; L141-W173 HydrophobicContact CD2-CD2 4.37Å; L141-W173 HydrophobicContact CD2-CE3 4.27Å; L141-W173 HydrophobicContact CG-CD2 4.31Å; L141-W173 HydrophobicContact CG-CE3 4.48Å; Q142-W173 HydrophobicContact CB-CH2 4.49Å; F145-W173 HydrophobicContact CB-CH2 4.46Å; F145-W173 HydrophobicContact CB-CZ3 4.18Å; F145-W173 HydrophobicContact CD2-CZ3 4.44Å; Q169-W173 WeakPolarHBondContact O-CB 3.46Å; Q169-W173 PolarHBondContact O-N 3.43Å; V170-W173 PolarHBondContact O-N 3.32Å; W173-Q175 PolarHBondContact O-N 2.95Å; W173-N176 PolarHBondContact O-N 3.36Å; W173-R177 HydrophobicContact CE3-CB 4.06Å; W173-R177 HydrophobicContact CH2-CB 4.19Å; W173-R177 HydrophobicContact CH2-CG 3.89Å; W173-R177 HydrophobicContact CZ3-CB 3.81Å; W173-R177 HydrophobicContact CZ3-CG 3.84Å; W173-R177 WeakPolarHBondContact O-CB 3.39Å; W173-R177 PolarHBondContact O-N 2.86Å |
| 174 | F | 98.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 74.4 Ų | 74.4 | 4% | 0.035 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 177.7 | -91.5 | -102.4 | 0 | 0 | 0 | 112.8 | L141 R144 F145 T148 Q149 L151 L159 V170 I172 R177 R178 | L141-F174 HydrophobicContact CD2-CE2 3.97Å; R144-F174 HydrophobicContact CB-CZ 4.35Å; R144-F174 HydrophobicContact CG-CZ 4.26Å; F145-F174 HydrophobicContact CB-CE1 4.25Å; F145-F174 HydrophobicContact CB-CZ 4.43Å; F145-F174 AromaticContact CD2-CD1 3.86Å; F145-F174 HydrophobicContact CD2-CD1 3.86Å; F145-F174 AromaticContact CD2-CE1 3.82Å; F145-F174 HydrophobicContact CD2-CE1 3.82Å; F145-F174 HydrophobicContact CE2-CD1 4.48Å; T148-F174 WeakPolarHBondContact O-CE1 3.41Å; Q149-F174 WeakPolarHBondContact O-CD1 3.14Å; L151-F174 HydrophobicContact CD1-CD1 4.44Å; L151-F174 HydrophobicContact CD1-CD2 4.06Å; L151-F174 HydrophobicContact CD1-CE1 3.93Å; L151-F174 HydrophobicContact CD1-CE2 3.5Å; L151-F174 VanDerWaalsContact CD1-CE2 3.5Å; L151-F174 HydrophobicContact CD1-CZ 3.43Å; L151-F174 VanDerWaalsContact CD1-CZ 3.43Å; L151-F174 HydrophobicContact CD2-CE1 4.35Å; L151-F174 HydrophobicContact CD2-CZ 4.31Å; L151-F174 HydrophobicContact CG-CD1 4.21Å; L151-F174 HydrophobicContact CG-CE1 3.73Å; L151-F174 HydrophobicContact CG-CE2 4.24Å; L151-F174 HydrophobicContact CG-CZ 3.76Å; L159-F174 HydrophobicContact CD2-CE2 4.04Å; L159-F174 HydrophobicContact CD2-CZ 4.39Å; V170-F174 HydrophobicContact CG1-CD2 3.86Å; V170-F174 HydrophobicContact CG1-CE2 3.97Å; V170-F174 WeakPolarHBondContact O-CD2 3.24Å; V170-F174 PolarHBondContact O-N 2.9Å; I172-F174 VanDerWaalsContact C-N 3.35Å; I172-F174 PolarHBondContact O-N 3.47Å; F174-R177 PolarHBondContact O-N 3.36Å; F174-R178 WeakPolarHBondContact O-CG 3.4Å; F174-R178 PolarHBondContact O-N 3.02Å |
| 175 | Q | 98.5 | Very high | 96.6 | Very high | 80 Ų | 80 | 78.3 Ų | 78.3 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 173.2 | -77 | 172 | 83.2 | 0 | 0 | 111.6 | K171 I172 W173 R177 R178 S179 | K171-Q175 WeakPolarHBondContact O-CG 3.42Å; K171-Q175 PolarHBondContact O-N 2.92Å; K171-Q175 VanDerWaalsContact O-N 3.11Å; K171-Q175 PolarHBondContact O-NE2 3.37Å; I172-Q175 PolarHBondContact O-N 3.32Å; W173-Q175 PolarHBondContact O-N 2.95Å; Q175-R177 VanDerWaalsContact C-N 3.3Å; Q175-R177 PolarHBondContact O-N 3.02Å; Q175-R178 PolarHBondContact O-N 3.46Å; Q175-S179 PolarHBondContact O-N 3.36Å; Q175-S179 PolarHBondContact O-OG 3Å |
| 176 | N | 97.9 | Very high | 95.9 | Very high | 102 Ų | 102 | 85.6 Ų | 85.6 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 178.1 | -69.7 | -17.9 | 0 | 0 | 0 | 111.4 | I172 W173 S179 K180 | I172-N176 PolarHBondContact O-N 2.93Å; W173-N176 PolarHBondContact O-N 3.36Å; N176-S179 PolarHBondContact O-N 3Å; N176-K180 PolarHBondContact O-N 3.36Å |
| 177 | R | 97.8 | Very high | 95 | Very high | 74 Ų | 74 | 85.3 Ų | 85.3 | 28% | 0.279 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 178.4 | -171.9 | 68.6 | -165.1 | -177.1 | 3.6 | 111.8 | Q142 F145 W173 F174 Q175 K180 F181 | Q142-R177 VanDerWaalsContact NE2-NH2 3.18Å; Q142-R177 VanDerWaalsContact OE1-NE 3.12Å; F145-R177 HydrophobicContact CD1-CG 3.84Å; F145-R177 HydrophobicContact CD2-CB 4.2Å; F145-R177 HydrophobicContact CD2-CG 3.64Å; F145-R177 HydrophobicContact CE1-CG 3.79Å; F145-R177 HydrophobicContact CE2-CB 4.03Å; F145-R177 HydrophobicContact CE2-CG 3.6Å; F145-R177 HydrophobicContact CG-CG 3.77Å; F145-R177 HydrophobicContact CZ-CB 4.43Å; F145-R177 HydrophobicContact CZ-CG 3.67Å; W173-R177 HydrophobicContact CE3-CB 4.06Å; W173-R177 HydrophobicContact CH2-CB 4.19Å; W173-R177 HydrophobicContact CH2-CG 3.89Å; W173-R177 HydrophobicContact CZ3-CB 3.81Å; W173-R177 HydrophobicContact CZ3-CG 3.84Å; W173-R177 WeakPolarHBondContact O-CB 3.39Å; W173-R177 PolarHBondContact O-N 2.86Å; F174-R177 PolarHBondContact O-N 3.36Å; Q175-R177 VanDerWaalsContact C-N 3.3Å; Q175-R177 PolarHBondContact O-N 3.02Å; R177-K180 PolarHBondContact O-N 3.47Å; R177-F181 WeakPolarHBondContact O-CB 3.39Å; R177-F181 PolarHBondContact O-N 3.48Å |
| 178 | R | 97.8 | Very high | 93.8 | Very high | 71 Ų | 71 | 84.2 Ų | 84.2 | 27% | 0.268 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 175.9 | -74.3 | -173.2 | -73.7 | 135.9 | -5.9 | 112.6 | F145 Q149 Y150 F174 Q175 F181 K182 | F145-R178 HydrophobicContact CE2-CG 3.74Å; F145-R178 HydrophobicContact CZ-CG 4.13Å; Q149-R178 WeakPolarHBondContact O-CD 3.46Å; Y150-R178 VanDerWaalsContact CZ-NH1 3.28Å; Y150-R178 PolarHBondContact OH-NH1 2.97Å; F174-R178 WeakPolarHBondContact O-CG 3.4Å; F174-R178 PolarHBondContact O-N 3.02Å; Q175-R178 PolarHBondContact O-N 3.46Å; R178-F181 PolarHBondContact O-N 3.17Å; R178-K182 WeakPolarHBondContact O-CB 3.43Å; R178-K182 PolarHBondContact O-N 3.2Å |
| 179 | S | 97.9 | Very high | 92.1 | Very high | 71 Ų | 71 | 86.4 Ų | 86.4 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 176.5 | -67.3 | 0 | 0 | 0 | 0 | 112 | Q175 N176 K182 K183 | Q175-S179 PolarHBondContact O-N 3.36Å; Q175-S179 PolarHBondContact O-OG 3Å; N176-S179 PolarHBondContact O-N 3Å; S179-K182 PolarHBondContact O-N 3.05Å; S179-K183 PolarHBondContact O-N 3.09Å |
| 180 | K | 95.6 | Very high | 90.2 | Very high | 131 Ų | 131 | 88.6 Ų | 88.6 | 57% | 0.57 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.8 | -45.1 | 176 | -171.5 | 179.2 | -179.8 | -179.8 | 0 | 111.3 | N176 R177 K183 L184 | N176-K180 PolarHBondContact O-N 3.36Å; R177-K180 PolarHBondContact O-N 3.47Å; K180-K183 PolarHBondContact O-N 3.23Å; K180-L184 HydrophobicContact CG-CD1 4.02Å; K180-L184 WeakPolarHBondContact O-CD1 3.5Å; K180-L184 PolarHBondContact O-N 3.12Å |
| 181 | F | 94.4 | Very high | 88.2 | Confident | 62 Ų | 62 | 93.1 Ų | 93.1 | 27% | 0.272 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58 | -53.3 | 176.4 | -172.5 | -98.4 | 0 | 0 | 0 | 110.8 | F145 Q149 R177 R178 K183 L184 W185 | F145-F181 HydrophobicContact CE1-CD2 4.38Å; F145-F181 HydrophobicContact CZ-CB 4.49Å; Q149-F181 VanDerWaalsContact NE2-CE1 3.33Å; R177-F181 WeakPolarHBondContact O-CB 3.39Å; R177-F181 PolarHBondContact O-N 3.48Å; R178-F181 PolarHBondContact O-N 3.17Å; F181-K183 PolarHBondContact O-N 3.29Å; F181-K183 VanDerWaalsContact O-N 3.16Å; F181-L184 PolarHBondContact O-N 3.4Å; F181-L184 VanDerWaalsContact O-N 3.12Å; F181-W185 AromaticContact CD1-CD1 3.8Å; F181-W185 AromaticContact CD1-NE1 3.63Å; F181-W185 AromaticContact CD2-NE1 3.58Å; F181-W185 AromaticContact CE1-CD1 3.76Å; F181-W185 HydrophobicContact CE1-CD2 4.29Å; F181-W185 AromaticContact CE1-CE2 3.55Å; F181-W185 HydrophobicContact CE1-CG 4.36Å; F181-W185 HydrophobicContact CE1-CZ2 4.01Å; F181-W185 AromaticContact CE1-NE1 3.17Å; F181-W185 AromaticContact CE2-CE2 3.92Å; F181-W185 HydrophobicContact CE2-CZ2 4.19Å; F181-W185 AromaticContact CE2-NE1 3.13Å; F181-W185 AromaticContact CG-CD1 3.99Å; F181-W185 AromaticContact CG-NE1 3.83Å; F181-W185 AromaticContact CZ-CD1 3.93Å; F181-W185 HydrophobicContact CZ-CD2 4.43Å; F181-W185 AromaticContact CZ-CE2 3.31Å; F181-W185 AromaticContact CZ-CZ2 3.45Å; F181-W185 HydrophobicContact CZ-CZ2 3.45Å; F181-W185 VanDerWaalsContact CZ-CZ2 3.45Å; F181-W185 AromaticContact CZ-NE1 2.92Å; F181-W185 PolarHBondContact O-N 2.91Å; F181-W185 VanDerWaalsContact O-N 3.09Å |
| 182 | K | 95.3 | Very high | 85.9 | Confident | 136 Ų | 136 | 94.2 Ų | 94.2 | 59% | 0.591 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -55.8 | -37 | 177 | -173.7 | 179.3 | 67.4 | 175.5 | 0 | 113 | R178 S179 K186 | R178-K182 WeakPolarHBondContact O-CB 3.43Å; R178-K182 PolarHBondContact O-N 3.2Å; S179-K182 PolarHBondContact O-N 3.05Å; K182-K186 PolarHBondContact O-N 3.16Å |
| 183 | K | 94.5 | Very high | 83.7 | Confident | 162 Ų | 162 | 97.9 Ų | 97.9 | 70% | 0.704 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.8 | -48.2 | 177.6 | -173.8 | 178.3 | 177.3 | -178.5 | 0 | 111.5 | S179 K180 F181 W185 K186 S187 | S179-K183 PolarHBondContact O-N 3.09Å; K180-K183 PolarHBondContact O-N 3.23Å; F181-K183 PolarHBondContact O-N 3.29Å; F181-K183 VanDerWaalsContact O-N 3.16Å; K183-W185 VanDerWaalsContact C-N 3.3Å; K183-W185 PolarHBondContact O-N 3.03Å; K183-K186 PolarHBondContact O-N 3.32Å; K183-K186 VanDerWaalsContact O-N 3.12Å; K183-S187 PolarHBondContact O-N 3.12Å; K183-S187 VanDerWaalsContact O-N 3.13Å; K183-S187 PolarHBondContact O-OG 3.03Å |
| 184 | L | 90.3 | Very high | 81.4 | Confident | 58 Ų | 58 | 103 Ų | 103 | 30% | 0.304 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 178.4 | -77.5 | 153.5 | 0 | 0 | 0 | 112.2 | K180 F181 K186 S187 | K180-L184 HydrophobicContact CG-CD1 4.02Å; K180-L184 WeakPolarHBondContact O-CD1 3.5Å; K180-L184 PolarHBondContact O-N 3.12Å; F181-L184 PolarHBondContact O-N 3.4Å; F181-L184 VanDerWaalsContact O-N 3.12Å; L184-K186 VanDerWaalsContact C-N 3.27Å; L184-K186 PolarHBondContact O-N 3.13Å; L184-S187 PolarHBondContact O-N 3.25Å; L184-S187 PolarHBondContact O-OG 3.48Å; L184-S187 VanDerWaalsContact O-OG 3.11Å |
| 185 | W | 85.9 | Confident | 78.8 | Confident | 150 Ų | 150 | 111.5 Ų | 111.5 | 57% | 0.568 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.7 | -27.8 | 178.2 | -76.8 | 62 | 0 | 0 | 0 | 113.3 | F181 K183 | F181-W185 AromaticContact CD1-CD1 3.8Å; F181-W185 AromaticContact CD1-NE1 3.63Å; F181-W185 AromaticContact CD2-NE1 3.58Å; F181-W185 AromaticContact CE1-CD1 3.76Å; F181-W185 HydrophobicContact CE1-CD2 4.29Å; F181-W185 AromaticContact CE1-CE2 3.55Å; F181-W185 HydrophobicContact CE1-CG 4.36Å; F181-W185 HydrophobicContact CE1-CZ2 4.01Å; F181-W185 AromaticContact CE1-NE1 3.17Å; F181-W185 AromaticContact CE2-CE2 3.92Å; F181-W185 HydrophobicContact CE2-CZ2 4.19Å; F181-W185 AromaticContact CE2-NE1 3.13Å; F181-W185 AromaticContact CG-CD1 3.99Å; F181-W185 AromaticContact CG-NE1 3.83Å; F181-W185 AromaticContact CZ-CD1 3.93Å; F181-W185 HydrophobicContact CZ-CD2 4.43Å; F181-W185 AromaticContact CZ-CE2 3.31Å; F181-W185 AromaticContact CZ-CZ2 3.45Å; F181-W185 HydrophobicContact CZ-CZ2 3.45Å; F181-W185 VanDerWaalsContact CZ-CZ2 3.45Å; F181-W185 AromaticContact CZ-NE1 2.92Å; F181-W185 PolarHBondContact O-N 2.91Å; F181-W185 VanDerWaalsContact O-N 3.09Å; K183-W185 VanDerWaalsContact C-N 3.3Å; K183-W185 PolarHBondContact O-N 3.03Å |
| 186 | K | 82.2 | Confident | 76.4 | Confident | 174 Ų | 174 | 114.4 Ų | 114.4 | 76% | 0.757 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -83.4 | -24.6 | 179 | -147.5 | 82.9 | 81 | 176.3 | 0 | 112.4 | K182 K183 L184 | K182-K186 PolarHBondContact O-N 3.16Å; K183-K186 PolarHBondContact O-N 3.32Å; K183-K186 VanDerWaalsContact O-N 3.12Å; L184-K186 VanDerWaalsContact C-N 3.27Å; L184-K186 PolarHBondContact O-N 3.13Å |
| 187 | S | 80.6 | Confident | 74 | Confident | 70 Ų | 70 | 113.2 Ų | 113.2 | 49% | 0.49 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -87.7 | 2 | -178.7 | 55.3 | 0 | 0 | 0 | 0 | 114.2 | K183 L184 E189 | K183-S187 PolarHBondContact O-N 3.12Å; K183-S187 VanDerWaalsContact O-N 3.13Å; K183-S187 PolarHBondContact O-OG 3.03Å; L184-S187 PolarHBondContact O-N 3.25Å; L184-S187 PolarHBondContact O-OG 3.48Å; L184-S187 VanDerWaalsContact O-OG 3.11Å; S187-E189 PolarHBondContact O-N 3.34Å |
| 188 | G | 73 | Confident | 71.3 | Confident | 62 Ų | 62 | 115.2 Ų | 115.2 | 64% | 0.639 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 67.7 | -6.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | I190 | G188-I190 VanDerWaalsContact C-N 3.32Å; G188-I190 PolarHBondContact O-N 3.36Å; G188-I190 VanDerWaalsContact O-N 3.11Å |
| 189 | E | 61.1 | Low | 68.8 | Low | 137 Ų | 137 | 117.5 Ų | 117.5 | 64% | 0.64 | 64% | 0.636 | S | S | * | * | trans | -85.9 | 75.1 | 175.8 | -165.1 | -176.3 | -172.2 | 0 | 0 | 108.8 | S187 P191 | S187-E189 PolarHBondContact O-N 3.34Å; E189-P191 WeakPolarHBondContact O-CD 3.46Å | ||
| 190 | I | 59.7 | Low | 66.1 | Low | 97 Ų | 97 | 123 Ų | 123 | 50% | 0.497 | 65% | 0.653 | S | S | . | * | trans | -100.8 | 108 | 171.4 | -17.9 | 171.5 | 0 | 0 | 0 | 107.1 | G188 P192 | G188-I190 VanDerWaalsContact C-N 3.32Å; G188-I190 PolarHBondContact O-N 3.36Å; G188-I190 VanDerWaalsContact O-N 3.11Å; I190-P192 WeakPolarHBondContact O-CD 3.37Å | ||
| 191 | P | 55.8 | Low | 63.7 | Low | 96 Ų | 96 | 121.7 Ų | 121.7 | 62% | 0.623 | 66% | 0.661 | S | S | * | * | trans | -62.4 | 123.2 | 162.4 | -22.7 | 34.2 | 0 | 0 | 0 | 108.9 | E189 E193 | E189-P191 WeakPolarHBondContact O-CD 3.46Å; P191-E193 PolarHBondContact O-N 3.11Å; P191-E193 VanDerWaalsContact O-N 3.07Å | ||
| 192 | P | 50.3 | Low | 61.8 | Low | 127 Ų | 127 | 124.5 Ų | 124.5 | 83% | 0.825 | 69% | 0.686 | S | S | * | * | trans | -80.8 | 87.4 | 177.2 | 33 | -30 | 0 | 0 | 0 | 107.9 | I190 | I190-P192 WeakPolarHBondContact O-CD 3.37Š| ||
| 193 | E | 51.8 | Low | 59.5 | Low | 155 Ų | 155 | 124.1 Ų | 124.1 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | trans | -142.6 | 118.7 | 169.4 | -99.3 | -79.9 | 133.4 | 0 | 0 | 109.1 | P191 | P191-E193 PolarHBondContact O-N 3.11Å; P191-E193 VanDerWaalsContact O-N 3.07Å | ||
| 194 | Q | 49.3 | Very low | 56.8 | Low | 140 Ų | 140 | 121.7 Ų | 121.7 | 65% | 0.654 | 70% | 0.699 | S | S | * | * | trans | 88.1 | 57.2 | 162.2 | -52.5 | 174.2 | 4.8 | 0 | 0 | 117.5 | ||||
| 195 | H | 44.2 | Very low | 54.6 | Low | 186 Ų | 186 | 125 Ų | 125 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | trans | -84.3 | 96.1 | 137 | -120.4 | -108.6 | 0 | 0 | 0 | 107.2 | A197 | H195-A197 PolarHBondContact O-N 2.93Š| ||
| 196 | V | 48.6 | Very low | 52.5 | Low | 141 Ų | 141 | 123 Ų | 123 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | trans | -75.4 | 79.1 | 157.5 | -79.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 197 | A | 47.8 | Very low | 51 | Low | 77 Ų | 77 | 120.9 Ų | 120.9 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | trans | -86.3 | 115.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | H195 | H195-A197 PolarHBondContact O-N 2.93Š| ||
| 198 | S | 40.5 | Very low | 49.2 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | -46.3 | 142.5 | 167.5 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 199 | S | 45.7 | Very low | 47.7 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -8.1 | 120.7 | 166.1 | -56.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 200 | E | 41 | Very low | 47 | Very low | 186 Ų | 186 | 125.8 Ų | 125.8 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | -161.4 | 120.2 | 118.5 | -146.4 | 157.5 | 106.5 | 0 | 0 | 109.8 | |||||
| 201 | S | 46.3 | Very low | 46.1 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 30.4 | 140.9 | 156.9 | -51.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 202 | P | 54 | Low | 45.7 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 137 | 170.8 | 33.5 | -31 | 0 | 0 | 0 | 111 | C204 | P202-C204 PolarHBondContact O-N 3.48Š|
| 203 | P | 46.8 | Very low | 45.2 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 118.3 | 161.9 | 29.7 | -28.4 | 0 | 0 | 0 | 109.5 | ||
| 204 | C | 38.8 | Very low | 45 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 135.8 | 168.7 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | P202 | P202-C204 PolarHBondContact O-N 3.48Š|
| 205 | T | 44.2 | Very low | 44.9 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 22.5 | 115.1 | 145.1 | 50.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 206 | S | 41.4 | Very low | 44.8 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | -172.4 | 138.9 | 120.1 | -78.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 207 | P | 50.5 | Low | 44.3 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -86.4 | 124.6 | 174.3 | 33.6 | -27.7 | 0 | 0 | 0 | 109.8 | ||||
| 208 | S | 41.4 | Very low | 44.1 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -119 | 105.9 | 168.8 | -61.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 209 | T | 42.2 | Very low | 43.9 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -5.8 | 115.4 | 154.9 | 53.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 210 | T | 46.4 | Very low | 43.4 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -126.5 | 119.2 | 148.3 | -60.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 211 | A | 40.8 | Very low | 43.3 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -63.2 | 127.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 212 | W | 48.4 | Very low | 42.7 | Very low | 232 Ų | 232 | 139.4 Ų | 139.4 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -110.7 | 106.1 | 154.5 | -74.4 | 97.4 | 0 | 0 | 0 | 106.9 | ||||
| 213 | D | 39.5 | Very low | 41.9 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -71 | 119.6 | 173.6 | 179.4 | 69.2 | 0 | 0 | 0 | 109.5 | ||||
| 214 | F | 47.6 | Very low | 41.4 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -152.7 | 143.1 | 160.1 | -84.5 | -72.6 | 0 | 0 | 0 | 109.9 | ||||
| 215 | P | 47.6 | Very low | 41.3 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -83.5 | 150.6 | -154.5 | 31.7 | -35.1 | 0 | 0 | 0 | 115.3 | ||||
| 216 | Q | 41.1 | Very low | 41 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -59.8 | 136.5 | 176.4 | 175.6 | 172.2 | 3.7 | 0 | 0 | 115.3 | ||||
| 217 | T | 38.8 | Very low | 40.8 | Very low | 126 Ų | 126 | 141 Ų | 141 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -150.9 | 119.4 | 143.1 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 218 | Q | 42.7 | Very low | 41 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | 69.6 | 142.5 | 145 | -50.6 | -88.9 | -3.9 | 0 | 0 | 118.4 | ||||
| 219 | R | 36.8 | Very low | 40.7 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 73% | 0.725 | 79% | 0.789 | S | S | * | * | cis | 177.8 | 132.2 | -13.1 | 169.5 | -175.8 | 168.1 | -168.2 | -3.3 | 106.2 | ||||
| 220 | M | 35.5 | Very low | 40.4 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | 58.2 | 120 | 154 | -65 | 170.7 | 157.1 | 0 | 0 | 120.8 | ||||
| 221 | N | 38 | Very low | 39.9 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | 73.9 | 115.9 | 80.5 | -117.2 | 62.7 | 0 | 0 | 0 | 114.2 | |||||
| 222 | G | 33.8 | Very low | 39.6 | Very low | 81 Ų | 81 | 142.2 Ų | 142.2 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | 178.4 | 123.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 223 | V | 38.2 | Very low | 39.3 | Very low | 139 Ų | 139 | 137 Ų | 137 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | -97.8 | 167.3 | -163.5 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 224 | S | 36.4 | Very low | 40.3 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | trans | 100.6 | 106.2 | 148 | -64.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 225 | S | 36.9 | Very low | 40.4 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | 55.6 | 129.3 | 121.4 | 64.4 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 226 | V | 36.7 | Very low | 39.8 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | 163.4 | 125.9 | 115.1 | 162 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 227 | L | 37.3 | Very low | 40.1 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -87.7 | 178.2 | 161.9 | -109.2 | 89.4 | 0 | 0 | 0 | 109.2 | ||||
| 228 | P | 54.9 | Low | 40.4 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | cis | -137.8 | -173.7 | -8.9 | 28 | -3.8 | 0 | 0 | 0 | 113.8 | ||||
| 229 | Q | 34.7 | Very low | 40.6 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | 131.7 | 110.2 | 123.9 | -161.2 | 164.8 | 71.7 | 0 | 0 | 117.8 | |||||
| 230 | S | 36.7 | Very low | 41 | Very low | 92 Ų | 92 | 124 Ų | 124 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | trans | 67.3 | 140.9 | 134.6 | 80.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 231 | N | 34.7 | Very low | 41.6 | Very low | 165 Ų | 165 | 122.5 Ų | 122.5 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | 96.2 | 122.6 | 143.6 | -76.2 | 5.6 | 0 | 0 | 0 | 120 | ||||
| 232 | G | 35 | Very low | 42.3 | Very low | 80 Ų | 80 | 119.2 Ų | 119.2 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 123.3 | 104 | 140.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 233 | S | 42.9 | Very low | 43.1 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -66.3 | 170 | 168.4 | -72.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 234 | P | 59.8 | Low | 43.7 | Very low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -94 | 177 | -151.8 | 43.3 | -38.2 | 0 | 0 | 0 | 112.9 | ||||
| 235 | P | 49 | Very low | 44.2 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | -156.1 | -176.8 | 84.5 | 37.7 | -15.1 | 0 | 0 | 0 | 116.3 | |||||
| 236 | N | 36.3 | Very low | 44.6 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 98.9 | 93.5 | 157.8 | -95.3 | -5.6 | 0 | 0 | 0 | 120.6 | ||||
| 237 | T | 46.3 | Very low | 44.9 | Very low | 128 Ų | 128 | 126 Ų | 126 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | 23.6 | 104.7 | 120.3 | -45.9 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 238 | T | 46.4 | Very low | 45.5 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -155.3 | 114.9 | 141.7 | -65.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 239 | A | 45.7 | Very low | 44.9 | Very low | 80 Ų | 80 | 127.7 Ų | 127.7 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | trans | -72.2 | 137.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S241 | A239-S241 PolarHBondContact O-N 3.04Š| ||
| 240 | P | 45.6 | Very low | 45.1 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | trans | -82.1 | 95.3 | 167.8 | 30.7 | -29.9 | 0 | 0 | 0 | 109.9 | S242 | P240-S242 PolarHBondContact O-N 3.07Š| ||
| 241 | S | 48.2 | Very low | 45.2 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | -78.5 | 88.6 | 164.6 | -69.2 | 0 | 0 | 0 | 0 | 109.6 | A239 | A239-S241 PolarHBondContact O-N 3.04Š| ||
| 242 | S | 52.7 | Low | 45.6 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -142.4 | 67.5 | 173.3 | 37.9 | 0 | 0 | 0 | 0 | 111.3 | P240 | P240-S242 PolarHBondContact O-N 3.07Š| ||
| 243 | F | 49.8 | Very low | 46.1 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -148.6 | 17.5 | 168.7 | 49.6 | -96.6 | 0 | 0 | 0 | 115.8 | ||
| 244 | L | 51.8 | Low | 45.7 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | trans | -134.2 | 32 | 179.3 | -80.3 | 166.2 | 0 | 0 | 0 | 114.9 | N246 Y247 | L244-N246 VanDerWaalsContact C-N 3.27Å; L244-N246 PolarHBondContact O-N 3.11Å; L244-Y247 HydrophobicContact CD2-CD2 4.04Å; L244-Y247 HydrophobicContact CD2-CE2 4.42Å | ||
| 245 | A | 45.9 | Very low | 44.6 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 93% | 0.934 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -85.6 | 13.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 246 | N | 46.2 | Very low | 44.1 | Very low | 136 Ų | 136 | 129 Ų | 129 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -137.1 | 57.1 | -175.2 | -158.9 | 2.1 | 0 | 0 | 0 | 113.9 | L244 | L244-N246 VanDerWaalsContact C-N 3.27Å; L244-N246 PolarHBondContact O-N 3.11Å | ||
| 247 | Y | 42.4 | Very low | 44.3 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 58% | 0.584 | 75% | 0.752 | S | S | * | * | trans | -147.1 | 94.4 | 166 | -80.1 | -58.7 | 0 | 0 | 0 | 110.9 | L244 W249 | L244-Y247 HydrophobicContact CD2-CD2 4.04Å; L244-Y247 HydrophobicContact CD2-CE2 4.42Å; Y247-W249 VanDerWaalsContact C-N 3.25Å; Y247-W249 VanDerWaalsContact CB-NE1 3.3Å; Y247-W249 AromaticContact CD1-CD1 3.67Å; Y247-W249 AromaticContact CD1-NE1 3.09Å; Y247-W249 AromaticContact CG-NE1 3.34Å; Y247-W249 VanDerWaalsContact CG-NE1 3.34Å; Y247-W249 PolarHBondContact O-N 3.12Å; Y247-W249 VanDerWaalsContact O-N 3.12Å | ||
| 248 | S | 50 | Low | 44.3 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | trans | -80.4 | 42.8 | 178.3 | -56.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 249 | W | 43 | Very low | 44 | Very low | 169 Ų | 169 | 131 Ų | 131 | 64% | 0.64 | 75% | 0.75 | S | S | * | * | trans | -117.8 | 19.2 | -178.2 | 53.8 | -91.2 | 0 | 0 | 0 | 115.6 | Y247 | Y247-W249 VanDerWaalsContact C-N 3.25Å; Y247-W249 VanDerWaalsContact CB-NE1 3.3Å; Y247-W249 AromaticContact CD1-CD1 3.67Å; Y247-W249 AromaticContact CD1-NE1 3.09Å; Y247-W249 AromaticContact CG-NE1 3.34Å; Y247-W249 VanDerWaalsContact CG-NE1 3.34Å; Y247-W249 PolarHBondContact O-N 3.12Å; Y247-W249 VanDerWaalsContact O-N 3.12Å | ||
| 250 | Y | 39 | Very low | 44.1 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 58% | 0.576 | 76% | 0.758 | S | S | * | * | trans | -124.5 | 99.4 | 172.2 | -36.5 | -91.3 | 0 | 0 | 0 | 110.3 | ||||
| 251 | S | 38.8 | Very low | 44.3 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -92.4 | 93.9 | 159 | -63 | 0 | 0 | 0 | 0 | 107.5 | T253 | S251-T253 PolarHBondContact O-N 3.43Š| ||
| 252 | T | 43.8 | Very low | 44.2 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | -84.4 | 102.9 | 166.9 | -56.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 253 | T | 43.8 | Very low | 43.6 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | trans | -107.3 | 101.6 | 166.9 | 57.3 | 0 | 0 | 0 | 0 | 108.7 | S251 | S251-T253 PolarHBondContact O-N 3.43Š| ||
| 254 | N | 35.5 | Very low | 43.6 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -125.3 | 101.9 | 153.3 | -148 | 12.5 | 0 | 0 | 0 | 108.6 | ||||
| 255 | S | 36.5 | Very low | 43.3 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | trans | 58.1 | 112 | 138.7 | -49.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 256 | T | 37.6 | Very low | 43.1 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | 89.7 | 103.3 | 129.6 | -49.4 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 257 | T | 40.9 | Very low | 43 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | -172.7 | 119.9 | 115.8 | 20.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 258 | H | 46.1 | Very low | 43.3 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 43 | 111.7 | 137.5 | -162.3 | -114 | 0 | 0 | 0 | 119.9 | ||||
| 259 | L | 41.3 | Very low | 42.9 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | -176.6 | 140.9 | 116.2 | -89.5 | 165.7 | 0 | 0 | 0 | 111.2 | |||||
| 260 | Q | 47 | Very low | 42.9 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -50.3 | 149.2 | -175.6 | -171.2 | -176 | 14.8 | 0 | 0 | 117.1 | ||||
| 261 | P | 48.9 | Very low | 43.2 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | trans | -111.3 | 153.8 | 152.1 | 34.8 | -27.3 | 0 | 0 | 0 | 112.9 | ||||
| 262 | P | 47.6 | Very low | 43.7 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -78.7 | 151.8 | -174.4 | 32 | -33.5 | 0 | 0 | 0 | 113.5 | ||||
| 263 | L | 39 | Very low | 43.6 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | -77.9 | 116.9 | -177 | -149.2 | 162.1 | 0 | 0 | 0 | 109.5 | Q265 | L263-Q265 HydrophobicContact CD2-CB 4.41Š| ||
| 264 | V | 50.4 | Low | 43.6 | Very low | 125 Ų | 125 | 136 Ų | 136 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | trans | -102.8 | 111.8 | 168.3 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 265 | Q | 45.1 | Very low | 43.8 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | trans | -86.8 | 106.2 | -174.4 | -171.1 | 175 | -7.7 | 0 | 0 | 109.4 | L263 H267 | L263-Q265 HydrophobicContact CD2-CB 4.41Å; Q265-H267 PolarHBondContact NE2-CE1 3.22Å; Q265-H267 PolarHBondContact NE2-NE2 3.21Å; Q265-H267 VanDerWaalsContact NE2-NE2 3.2Å | ||
| 266 | H | 42.9 | Very low | 44.3 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | trans | -114.2 | 102.5 | 164.7 | -92.8 | -78.1 | 0 | 0 | 0 | 109.8 | H268 | H266-H268 PolarHBondContact O-N 3.46Š| ||
| 267 | H | 44.3 | Very low | 44.7 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 70% | 0.704 | 77% | 0.774 | S | S | * | * | trans | -60.2 | 125.9 | 170.1 | -64.3 | 108.4 | 0 | 0 | 0 | 110.5 | Q265 | Q265-H267 PolarHBondContact NE2-CE1 3.22Å; Q265-H267 PolarHBondContact NE2-NE2 3.21Å; Q265-H267 VanDerWaalsContact NE2-NE2 3.2Å | ||
| 268 | H | 47.2 | Very low | 45.3 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -103.9 | 104 | 160.1 | 43.5 | -84.5 | 0 | 0 | 0 | 107.7 | H266 | H266-H268 PolarHBondContact O-N 3.46Š| ||
| 269 | N | 42.1 | Very low | 45.3 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -70.7 | 126.2 | 170 | -99.7 | -10.8 | 0 | 0 | 0 | 109.3 | ||||
| 270 | S | 44 | Very low | 45.5 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -97.6 | 120.9 | 165.7 | -65 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 271 | A | 44 | Very low | 45.4 | Very low | 86 Ų | 86 | 138.4 Ų | 138.4 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 176.6 | 137.7 | 167 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 272 | I | 48.8 | Very low | 45.2 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | cis | -166.9 | 139.7 | 3.4 | -77.8 | 142.1 | 0 | 0 | 0 | 105.1 | ||||
| 273 | S | 41.8 | Very low | 45.1 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | 54.3 | 143 | 139.9 | -149.5 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 274 | A | 44.4 | Very low | 45.5 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 91.1 | 123 | 139.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 275 | G | 40.2 | Very low | 45.1 | Very low | 70 Ų | 70 | 141.5 Ų | 141.5 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -91.1 | -174.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 276 | T | 46 | Very low | 45.1 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | 179.5 | 132.2 | 135.7 | -77.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 277 | I | 46.5 | Very low | 45.3 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | trans | -72.2 | 134.9 | 166.6 | -70.8 | -177.3 | 0 | 0 | 0 | 108.4 | ||||
| 278 | F | 54.6 | Low | 45.4 | Very low | 271 Ų | 271 | 138.8 Ų | 138.8 | 100% | 1.189 | 83% | 0.825 | S | S | * | * | trans | -157.5 | 0 | 134.1 | -112.5 | -76.6 | 0 | 0 | 0 | 109.6 |
Retrieved 278 of 278 residues in 486.4 ms
(Link to these results)