| 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 | Very low | 46 | Very low | 242 Ų | 242 | 143.1 Ų | 143.1 | 100% | 1.192 | 84% | 0.84 | S | S | * | * | 0 | 91.6 | 0 | -73.7 | -177.3 | 169.9 | 0 | 0 | 105.5 | |||||
| 2 | A | 44.9 | Very low | 46 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | 68.3 | 133.9 | 82.5 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 3 | E | 43.4 | Very low | 46.4 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | cis | -171 | 152.9 | -7.4 | -113.2 | -159.9 | 146.4 | 0 | 0 | 106.3 | ||||
| 4 | F | 45.1 | Very low | 46.6 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 81% | 0.807 | 82% | 0.816 | S | S | * | * | trans | 38.6 | 135.3 | 153.1 | -66.7 | -84.7 | 0 | 0 | 0 | 124.7 | ||||
| 5 | G | 44.4 | Very low | 46.9 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | 177.8 | 57 | 156.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 6 | N | 49 | Very low | 47.4 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -68.6 | 124 | 164 | -90.4 | -16.3 | 0 | 0 | 0 | 109.3 | ||||
| 7 | G | 44 | Very low | 48 | Very low | 85 Ų | 85 | 139.3 Ų | 139.3 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | -101.2 | 76.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 8 | L | 46.3 | Very low | 48.3 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | -79.2 | 121.7 | 161.3 | -146.8 | 87.3 | 0 | 0 | 0 | 106.4 | ||||
| 9 | A | 54.8 | Low | 47.9 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -140.2 | 85.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 10 | D | 42.9 | Very low | 47.7 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 65% | 0.647 | 80% | 0.801 | S | S | * | * | trans | -50.6 | 123.9 | 145.8 | 55.6 | -66.8 | 0 | 0 | 0 | 109.4 | ||||
| 11 | E | 50.8 | Low | 48 | Very low | 195 Ų | 195 | 135 Ų | 135 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -107.3 | 102.2 | 154.7 | -98.7 | -153.8 | 114.2 | 0 | 0 | 107.9 | L13 | E11-L13 PolarHBondContact O-N 2.93Š| ||
| 12 | S | 46 | Very low | 48.5 | Very low | 83 Ų | 83 | 131 Ų | 131 | 58% | 0.58 | 77% | 0.772 | S | S | * | * | trans | -56.7 | 106.6 | 161.2 | 53.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 13 | L | 51.3 | Low | 48.8 | Very low | 168 Ų | 168 | 135 Ų | 135 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | trans | -98.5 | 80.7 | 153.2 | -155.8 | 79.7 | 0 | 0 | 0 | 107.7 | E11 D15 | E11-L13 PolarHBondContact O-N 2.93Å; L13-D15 PolarHBondContact O-N 3.29Å | ||
| 14 | L | 49 | Very low | 48.8 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | trans | -72.1 | 105.8 | 160.8 | -83.8 | 138.5 | 0 | 0 | 0 | 107.2 | ||||
| 15 | D | 51.2 | Low | 49.2 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -126.3 | 98.2 | 146 | -102.1 | -46.7 | 0 | 0 | 0 | 107.9 | L13 | L13-D15 PolarHBondContact O-N 3.29Š| ||
| 16 | S | 54.4 | Low | 49.3 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | trans | -40.6 | 127.9 | 165.8 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | P18 | S16-P18 VanDerWaalsContact O-CD 3.31Å; S16-P18 WeakPolarHBondContact O-CD 3.33Å | ||
| 17 | D | 58.5 | Low | 48.9 | Very low | 162 Ų | 162 | 130 Ų | 130 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | -53.2 | 132.9 | 143.7 | -126.8 | -33.9 | 0 | 0 | 0 | 108.5 | ||||
| 18 | P | 52.6 | Low | 48.8 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | trans | -144.1 | 127.7 | 134 | 32.5 | -15 | 0 | 0 | 0 | 113.3 | S16 | S16-P18 VanDerWaalsContact O-CD 3.31Å; S16-P18 WeakPolarHBondContact O-CD 3.33Å | ||
| 19 | G | 40.8 | Very low | 48.4 | Very low | 64 Ų | 64 | 128.5 Ų | 128.5 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | trans | 84.6 | 93.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | P21 | G19-P21 VanDerWaalsContact O-CD 3.31Å; G19-P21 WeakPolarHBondContact O-CD 3.31Å | ||
| 20 | H | 44.9 | Very low | 48.1 | Very low | 190 Ų | 190 | 131.1 Ų | 131.1 | 88% | 0.88 | 75% | 0.753 | S | S | * | * | trans | -75.2 | 114.5 | 138.1 | -170.1 | -10.5 | 0 | 0 | 0 | 107.1 | E22 | H20-E22 PolarHBondContact O-N 3.48Š| ||
| 21 | P | 53.6 | Low | 48.1 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | trans | -75.1 | 125.5 | -180 | 28 | -32.4 | 0 | 0 | 0 | 111.2 | G19 | G19-P21 VanDerWaalsContact O-CD 3.31Å; G19-P21 WeakPolarHBondContact O-CD 3.31Å | ||
| 22 | E | 51.1 | Low | 47.9 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -24.7 | 127.3 | 145.6 | -155.6 | 165.6 | -177.4 | 0 | 0 | 112.8 | H20 E24 | H20-E22 PolarHBondContact O-N 3.48Å; E22-E24 HydrophobicContact CG-CG 4.49Å | ||
| 23 | L | 49.6 | Very low | 48.1 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | trans | -118.3 | 108.3 | 159.3 | -73.7 | 179 | 0 | 0 | 0 | 107.9 | ||||
| 24 | E | 44.4 | Very low | 47.5 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 77% | 0.771 | 76% | 0.758 | S | S | * | * | trans | -63.3 | 155.1 | 172.1 | -62.1 | 177.7 | 149.9 | 0 | 0 | 111.7 | E22 | E22-E24 HydrophobicContact CG-CG 4.49Š| ||
| 25 | D | 52.8 | Low | 47.1 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | -41.5 | 146.2 | 176.9 | -165.3 | 12.6 | 0 | 0 | 0 | 115.2 | G27 | D25-G27 PolarHBondContact OD1-N 3.34Å; D25-G27 VanDerWaalsContact OD1-N 3.13Å | ||
| 26 | P | 47.9 | Very low | 46.9 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | -131.7 | 119.7 | 128.1 | 34.1 | -24.2 | 0 | 0 | 0 | 113 | |||||
| 27 | G | 39.5 | Very low | 46.4 | Very low | 53 Ų | 53 | 135.3 Ų | 135.3 | 55% | 0.546 | 77% | 0.767 | S | S | . | * | trans | -63.5 | 153.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D25 | D25-G27 PolarHBondContact OD1-N 3.34Å; D25-G27 VanDerWaalsContact OD1-N 3.13Å | ||
| 28 | V | 42.1 | Very low | 45.8 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | 71 | 128.9 | 146.1 | -176.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 29 | G | 39 | Very low | 45.4 | Very low | 54 Ų | 54 | 135.1 Ų | 135.1 | 56% | 0.557 | 77% | 0.771 | S | S | * | * | trans | 125.4 | 92 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 30 | D | 48.3 | Very low | 45.4 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | 56.9 | 107.6 | 102.5 | -59.4 | -56.7 | 0 | 0 | 0 | 109.8 | |||||
| 31 | E | 42.2 | Very low | 45.7 | Very low | 192 Ų | 192 | 133.1 Ų | 133.1 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | -172.1 | 130.2 | 84.6 | -81.1 | 174.3 | 163.5 | 0 | 0 | 110.9 | |||||
| 32 | E | 46 | Very low | 45.5 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -57.3 | 163.9 | 155.5 | -76.9 | -87.5 | 174.5 | 0 | 0 | 111 | ||||
| 33 | P | 51.8 | Low | 45.6 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -146.1 | 159.3 | 27.7 | 37.2 | -15 | 0 | 0 | 0 | 118.9 | ||||
| 34 | G | 38.7 | Very low | 46.1 | Very low | 61 Ų | 61 | 133.6 Ų | 133.6 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | 78.9 | 119.7 | 127.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 35 | L | 39 | Very low | 46.9 | Very low | 159 Ų | 159 | 130.4 Ų | 130.4 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | 158.3 | 96.3 | 130.9 | -81.3 | 161 | 0 | 0 | 0 | 108.5 | ||||
| 36 | E | 47.2 | Very low | 46.9 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | 58.7 | 125 | 102.6 | -114.4 | -163.5 | 158.9 | 0 | 0 | 113.3 | |||||
| 37 | E | 45.2 | Very low | 47.2 | Very low | 166 Ų | 166 | 131 Ų | 131 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | cis | -164.1 | 152.8 | 25.4 | -71.3 | 175.3 | 141.2 | 0 | 0 | 109.9 | ||||
| 38 | G | 45.6 | Very low | 48.3 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | 46.8 | 147.8 | 150.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 39 | E | 43.9 | Very low | 49.4 | Very low | 197 Ų | 197 | 131.5 Ų | 131.5 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | cis | -164.1 | 138.6 | 22.8 | -71.3 | 177.5 | 141.5 | 0 | 0 | 110.6 | ||||
| 40 | A | 39.9 | Very low | 50.5 | Low | 93 Ų | 93 | 133.8 Ų | 133.8 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | 44.3 | 137.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 41 | P | 52.5 | Low | 51.6 | Low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -94.3 | 145.7 | 166.3 | 36.9 | -28.8 | 0 | 0 | 0 | 112.7 | ||||
| 42 | I | 47.9 | Very low | 53.3 | Low | 149 Ų | 149 | 126.7 Ų | 126.7 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | trans | -121.5 | 108.8 | 169.3 | -55.2 | 173.5 | 0 | 0 | 0 | 108 | ||||
| 43 | E | 53.6 | Low | 54.4 | Low | 181 Ų | 181 | 127.5 Ų | 127.5 | 85% | 0.846 | 70% | 0.702 | S | S | * | * | trans | -88.3 | 110.8 | 168.6 | -67.8 | 172.5 | 173 | 0 | 0 | 107.7 | P45 | E43-P45 WeakPolarHBondContact O-CD 3.49Š| ||
| 44 | D | 60.8 | Low | 55.6 | Low | 112 Ų | 112 | 124.8 Ų | 124.8 | 60% | 0.599 | 68% | 0.683 | S | S | * | * | trans | -79.5 | 117.1 | -177 | -81.3 | -33.6 | 0 | 0 | 0 | 111.7 | E46 | D44-E46 PolarHBondContact O-N 3.47Š| ||
| 45 | P | 61.9 | Low | 57.4 | Low | 99 Ų | 99 | 129 Ų | 129 | 64% | 0.643 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -1 | -175.4 | 28.9 | -36.1 | 0 | 0 | 0 | 114.8 | E43 | E43-P45 WeakPolarHBondContact O-CD 3.49Š|
| 46 | E | 51.9 | Low | 59.2 | Low | 150 Ų | 150 | 127.3 Ų | 127.3 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -80.7 | -27 | -177.5 | -67.6 | -167.3 | 154.3 | 0 | 0 | 113.5 | D44 A49 I50 | D44-E46 PolarHBondContact O-N 3.47Å; E46-A49 PolarHBondContact O-N 3.38Å; E46-I50 WeakPolarHBondContact O-CG1 3.42Å; E46-I50 PolarHBondContact O-N 2.87Å; E46-I50 VanDerWaalsContact O-N 3.16Å |
| 47 | L | 53.7 | Low | 60.2 | Low | 130 Ų | 130 | 125.5 Ų | 125.5 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.5 | -31.7 | -178.4 | -72.6 | 168.8 | 0 | 0 | 0 | 112.8 | K51 | L47-K51 WeakPolarHBondContact O-CB 3.43Å; L47-K51 PolarHBondContact O-N 3.16Å; L47-K51 VanDerWaalsContact O-N 3.12Å |
| 48 | E | 63.1 | Low | 61.6 | Low | 159 Ų | 159 | 123 Ų | 123 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.1 | -37.4 | 174.6 | -63.8 | -166.8 | 154.2 | 0 | 0 | 111.7 | I50 K51 A52 | E48-I50 VanDerWaalsContact C-N 3.34Å; E48-I50 PolarHBondContact O-N 3.37Å; E48-K51 PolarHBondContact O-N 2.74Å; E48-A52 WeakPolarHBondContact O-CB 3.15Å; E48-A52 PolarHBondContact O-N 2.92Å |
| 49 | A | 64.8 | Low | 63.2 | Low | 55 Ų | 55 | 124.4 Ų | 124.4 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.4 | -36.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E46 R53 | E46-A49 PolarHBondContact O-N 3.38Å; A49-R53 WeakPolarHBondContact O-CG 3.17Å; A49-R53 PolarHBondContact O-N 3.41Å |
| 50 | I | 62.9 | Low | 64.6 | Low | 103 Ų | 103 | 121 Ų | 121 | 53% | 0.528 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -72.1 | -41.6 | 177.1 | -65.2 | 164.7 | 0 | 0 | 0 | 110.8 | E46 E48 A52 R53 V54 | E46-I50 WeakPolarHBondContact O-CG1 3.42Å; E46-I50 PolarHBondContact O-N 2.87Å; E46-I50 VanDerWaalsContact O-N 3.16Å; E48-I50 VanDerWaalsContact C-N 3.34Å; E48-I50 PolarHBondContact O-N 3.37Å; I50-A52 VanDerWaalsContact C-N 3.32Å; I50-A52 PolarHBondContact O-N 3.38Å; I50-R53 PolarHBondContact O-N 3.12Å; I50-V54 WeakPolarHBondContact O-CG2 3.41Å; I50-V54 PolarHBondContact O-N 2.72Å |
| 51 | K | 71.1 | Confident | 66.1 | Low | 145 Ų | 145 | 119.3 Ų | 119.3 | 63% | 0.63 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.3 | -36.8 | 176.8 | -171.4 | 176.2 | -178.5 | 178.4 | 0 | 112.5 | L47 E48 R55 | L47-K51 WeakPolarHBondContact O-CB 3.43Å; L47-K51 PolarHBondContact O-N 3.16Å; L47-K51 VanDerWaalsContact O-N 3.12Å; E48-K51 PolarHBondContact O-N 2.74Å; K51-R55 PolarHBondContact O-N 3.42Å |
| 52 | A | 78.2 | Confident | 67.5 | Low | 50 Ų | 50 | 120 Ų | 120 | 41% | 0.413 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.4 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E48 I50 V54 R55 E56 | E48-A52 WeakPolarHBondContact O-CB 3.15Å; E48-A52 PolarHBondContact O-N 2.92Å; I50-A52 VanDerWaalsContact C-N 3.32Å; I50-A52 PolarHBondContact O-N 3.38Å; A52-V54 PolarHBondContact O-N 3.42Å; A52-R55 PolarHBondContact O-N 3.1Å; A52-E56 PolarHBondContact O-N 2.92Å; A52-E56 VanDerWaalsContact O-N 3.16Å |
| 53 | R | 69.1 | Low | 69.1 | Low | 192 Ų | 192 | 119.1 Ų | 119.1 | 73% | 0.725 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.9 | -29.9 | 179.5 | -66.9 | -176.1 | 83 | 176.8 | 6.3 | 113.7 | A49 I50 M57 | A49-R53 WeakPolarHBondContact O-CG 3.17Å; A49-R53 PolarHBondContact O-N 3.41Å; I50-R53 PolarHBondContact O-N 3.12Å; R53-M57 WeakPolarHBondContact O-CB 3.15Å; R53-M57 PolarHBondContact O-N 3.1Å |
| 54 | V | 76.9 | Confident | 69.8 | Low | 61 Ų | 61 | 115.5 Ų | 115.5 | 37% | 0.37 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.3 | -41.7 | 173.9 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | I50 A52 M57 E58 | I50-V54 WeakPolarHBondContact O-CG2 3.41Å; I50-V54 PolarHBondContact O-N 2.72Å; A52-V54 PolarHBondContact O-N 3.42Å; V54-M57 PolarHBondContact O-N 3.5Å; V54-E58 HydrophobicContact CG1-CG 4.4Å; V54-E58 WeakPolarHBondContact O-CG 3.5Å; V54-E58 PolarHBondContact O-N 3.41Å |
| 55 | R | 77.1 | Confident | 70.7 | Confident | 149 Ų | 149 | 116.5 Ų | 116.5 | 56% | 0.562 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.7 | -43.1 | 177.4 | -176.1 | -179.1 | -73 | 163.9 | -6.4 | 112.4 | K51 A52 M57 E58 E59 | K51-R55 PolarHBondContact O-N 3.42Å; A52-R55 PolarHBondContact O-N 3.1Å; R55-M57 VanDerWaalsContact C-N 3.27Å; R55-M57 PolarHBondContact O-N 2.76Å; R55-E58 PolarHBondContact O-N 3.13Å; R55-E59 WeakPolarHBondContact O-CG 3.08Å; R55-E59 PolarHBondContact O-N 3.43Å |
| 56 | E | 77.1 | Confident | 71.6 | Confident | 124 Ų | 124 | 118.3 Ų | 118.3 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.9 | -38.7 | 175.3 | -72.1 | 178.8 | 170.4 | 0 | 0 | 111.7 | A52 E59 E60 | A52-E56 PolarHBondContact O-N 2.92Å; A52-E56 VanDerWaalsContact O-N 3.16Å; E56-E59 PolarHBondContact O-N 2.9Å; E56-E60 WeakPolarHBondContact O-CG 3.36Å; E56-E60 PolarHBondContact O-N 3.29Å |
| 57 | M | 67.8 | Low | 72.6 | Confident | 125 Ų | 125 | 116.7 Ų | 116.7 | 62% | 0.616 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.7 | -33 | 177.9 | -167.6 | 165 | 62.9 | 0 | 0 | 112.8 | R53 V54 R55 A61 | R53-M57 WeakPolarHBondContact O-CB 3.15Å; R53-M57 PolarHBondContact O-N 3.1Å; V54-M57 PolarHBondContact O-N 3.5Å; R55-M57 VanDerWaalsContact C-N 3.27Å; R55-M57 PolarHBondContact O-N 2.76Å; M57-A61 VanDerWaalsContact O-CB 3.27Å; M57-A61 WeakPolarHBondContact O-CB 3.31Å; M57-A61 PolarHBondContact O-N 3.32Å |
| 58 | E | 73.8 | Confident | 73.5 | Confident | 115 Ų | 115 | 115.8 Ų | 115.8 | 54% | 0.537 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.9 | -42.9 | 172.7 | -74 | 173.6 | 171.2 | 0 | 0 | 111.2 | V54 R55 E60 A61 E62 | V54-E58 HydrophobicContact CG1-CG 4.4Å; V54-E58 WeakPolarHBondContact O-CG 3.5Å; V54-E58 PolarHBondContact O-N 3.41Å; R55-E58 PolarHBondContact O-N 3.13Å; E58-E60 PolarHBondContact O-N 3.28Å; E58-A61 PolarHBondContact O-N 3.35Å; E58-E62 WeakPolarHBondContact O-CG 3.27Å; E58-E62 PolarHBondContact O-N 2.82Å |
| 59 | E | 80.3 | Confident | 74.1 | Confident | 104 Ų | 104 | 111.6 Ų | 111.6 | 49% | 0.486 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.2 | -34.5 | 176.4 | -70.5 | 176.7 | -163.9 | 0 | 0 | 112.6 | R55 E56 K63 | R55-E59 WeakPolarHBondContact O-CG 3.08Å; R55-E59 PolarHBondContact O-N 3.43Å; E56-E59 PolarHBondContact O-N 2.9Å; E59-K63 PolarHBondContact O-N 2.89Å |
| 60 | E | 72.5 | Confident | 74.6 | Confident | 127 Ų | 127 | 113.3 Ų | 113.3 | 59% | 0.593 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.5 | -37.1 | 172 | -75 | -173.7 | 165.3 | 0 | 0 | 112.2 | E56 E58 K63 L64 | E56-E60 WeakPolarHBondContact O-CG 3.36Å; E56-E60 PolarHBondContact O-N 3.29Å; E58-E60 PolarHBondContact O-N 3.28Å; E60-K63 PolarHBondContact O-N 2.84Å; E60-L64 WeakPolarHBondContact O-CD1 3.07Å; E60-L64 PolarHBondContact O-N 3.15Å |
| 61 | A | 71.7 | Confident | 75.1 | Confident | 56 Ų | 56 | 111.7 Ų | 111.7 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M57 E58 L64 K65 | M57-A61 VanDerWaalsContact O-CB 3.27Å; M57-A61 WeakPolarHBondContact O-CB 3.31Å; M57-A61 PolarHBondContact O-N 3.32Å; E58-A61 PolarHBondContact O-N 3.35Å; A61-L64 PolarHBondContact O-N 3.24Å; A61-K65 WeakPolarHBondContact O-CB 3.31Å; A61-K65 PolarHBondContact O-N 3.38Å |
| 62 | E | 82.1 | Confident | 74.7 | Confident | 133 Ų | 133 | 110.5 Ų | 110.5 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.9 | -42.2 | 174.9 | -74.4 | -174.4 | 167.6 | 0 | 0 | 111.8 | E58 L64 K65 E66 | E58-E62 WeakPolarHBondContact O-CG 3.27Å; E58-E62 PolarHBondContact O-N 2.82Å; E62-L64 VanDerWaalsContact C-N 3.35Å; E62-L64 PolarHBondContact O-N 2.89Å; E62-K65 PolarHBondContact O-N 3.43Å; E62-K65 VanDerWaalsContact O-N 3.16Å; E62-E66 PolarHBondContact O-N 3.18Å |
| 63 | K | 80.2 | Confident | 74.2 | Confident | 132 Ų | 132 | 114.8 Ų | 114.8 | 57% | 0.574 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.2 | -39.6 | 173.9 | -75.1 | 174.1 | -175.8 | 163.4 | 0 | 112.5 | E59 E60 K65 E66 L67 | E59-K63 PolarHBondContact O-N 2.89Å; E60-K63 PolarHBondContact O-N 2.84Å; K63-K65 VanDerWaalsContact C-N 3.32Å; K63-E66 PolarHBondContact O-N 3.43Å; K63-L67 VanDerWaalsContact O-CG 3.27Å; K63-L67 WeakPolarHBondContact O-CG 3.37Å; K63-L67 PolarHBondContact O-N 3.32Å |
| 64 | L | 68.6 | Low | 73.7 | Confident | 104 Ų | 104 | 111.7 Ų | 111.7 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 174 | -104.8 | 96.9 | 0 | 0 | 0 | 111.9 | E60 A61 E62 L67 Q68 | E60-L64 WeakPolarHBondContact O-CD1 3.07Å; E60-L64 PolarHBondContact O-N 3.15Å; A61-L64 PolarHBondContact O-N 3.24Å; E62-L64 VanDerWaalsContact C-N 3.35Å; E62-L64 PolarHBondContact O-N 2.89Å; L64-L67 PolarHBondContact O-N 2.86Å; L64-Q68 VanDerWaalsContact O-CG 3.3Å; L64-Q68 WeakPolarHBondContact O-CG 3.38Å; L64-Q68 PolarHBondContact O-N 3.48Å |
| 65 | K | 79.9 | Confident | 72.6 | Confident | 133 Ų | 133 | 115.5 Ų | 115.5 | 58% | 0.578 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.9 | -37.6 | 178.5 | -168.5 | 179.2 | -179 | -177.3 | 0 | 112 | A61 E62 K63 Q68 N69 | A61-K65 WeakPolarHBondContact O-CB 3.31Å; A61-K65 PolarHBondContact O-N 3.38Å; E62-K65 PolarHBondContact O-N 3.43Å; E62-K65 VanDerWaalsContact O-N 3.16Å; K63-K65 VanDerWaalsContact C-N 3.32Å; K65-Q68 PolarHBondContact O-N 3.23Å; K65-N69 WeakPolarHBondContact O-CB 3.48Å; K65-N69 PolarHBondContact O-N 2.96Å; K65-N69 PolarHBondContact O-ND2 3.31Å |
| 66 | E | 81.6 | Confident | 71.8 | Confident | 137 Ų | 137 | 115 Ų | 115 | 64% | 0.64 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.5 | -41.6 | 172.9 | -75.7 | -174.1 | 164.7 | 0 | 0 | 112 | E62 K63 Q68 N69 E70 | E62-E66 PolarHBondContact O-N 3.18Å; K63-E66 PolarHBondContact O-N 3.43Å; E66-Q68 VanDerWaalsContact C-N 3.35Å; E66-Q68 PolarHBondContact O-N 3.38Å; E66-N69 PolarHBondContact O-N 3.33Å; E66-E70 VanDerWaalsContact O-CB 3.31Å; E66-E70 WeakPolarHBondContact O-CB 3.34Å; E66-E70 PolarHBondContact O-N 2.93Å |
| 67 | L | 72.8 | Confident | 70.8 | Confident | 116 Ų | 116 | 116.2 Ų | 116.2 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.1 | -39.6 | 174.4 | -71.6 | 169.5 | 0 | 0 | 0 | 111.9 | K63 L64 E70 V71 | K63-L67 VanDerWaalsContact O-CG 3.27Å; K63-L67 WeakPolarHBondContact O-CG 3.37Å; K63-L67 PolarHBondContact O-N 3.32Å; L64-L67 PolarHBondContact O-N 2.86Å; L67-E70 PolarHBondContact O-N 3.47Å; L67-V71 WeakPolarHBondContact O-CB 3.22Å; L67-V71 WeakPolarHBondContact O-CG2 3.23Å; L67-V71 PolarHBondContact O-N 3.25Å |
| 68 | Q | 71.3 | Confident | 69.6 | Low | 111 Ų | 111 | 115.7 Ų | 115.7 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64 | -46 | 173.7 | -74.6 | 173.2 | -0.3 | 0 | 0 | 111.4 | L64 K65 E66 E70 V71 E72 | L64-Q68 VanDerWaalsContact O-CG 3.3Å; L64-Q68 WeakPolarHBondContact O-CG 3.38Å; L64-Q68 PolarHBondContact O-N 3.48Å; K65-Q68 PolarHBondContact O-N 3.23Å; E66-Q68 VanDerWaalsContact C-N 3.35Å; E66-Q68 PolarHBondContact O-N 3.38Å; Q68-E70 VanDerWaalsContact C-N 3.3Å; Q68-E70 PolarHBondContact O-N 3.49Å; Q68-V71 PolarHBondContact O-N 2.79Å; Q68-E72 WeakPolarHBondContact O-CB 3.35Å; Q68-E72 WeakPolarHBondContact O-CG 3.26Å; Q68-E72 PolarHBondContact O-N 2.83Å |
| 69 | N | 77.3 | Confident | 68.3 | Low | 71 Ų | 71 | 115.4 Ų | 115.4 | 38% | 0.38 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.7 | -34.1 | 177.1 | -71.9 | -19.4 | 0 | 0 | 0 | 112.5 | K65 E66 K73 | K65-N69 WeakPolarHBondContact O-CB 3.48Å; K65-N69 PolarHBondContact O-N 2.96Å; K65-N69 PolarHBondContact O-ND2 3.31Å; E66-N69 PolarHBondContact O-N 3.33Å; N69-K73 WeakPolarHBondContact O-CB 3.42Å; N69-K73 VanDerWaalsContact O-CG 3.26Å; N69-K73 WeakPolarHBondContact O-CG 3.41Å; N69-K73 PolarHBondContact O-N 3.36Å |
| 70 | E | 74.3 | Confident | 66.6 | Low | 92 Ų | 92 | 115 Ų | 115 | 43% | 0.43 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.5 | -41.9 | 176.1 | -174.7 | 58.5 | -148.7 | 0 | 0 | 111.2 | E66 L67 Q68 E72 K73 Q74 | E66-E70 VanDerWaalsContact O-CB 3.31Å; E66-E70 WeakPolarHBondContact O-CB 3.34Å; E66-E70 PolarHBondContact O-N 2.93Å; L67-E70 PolarHBondContact O-N 3.47Å; Q68-E70 VanDerWaalsContact C-N 3.3Å; Q68-E70 PolarHBondContact O-N 3.49Å; E70-E72 VanDerWaalsContact C-N 3.35Å; E70-K73 PolarHBondContact O-N 2.78Å; E70-Q74 WeakPolarHBondContact O-CB 3.36Å; E70-Q74 VanDerWaalsContact O-CG 3.27Å; E70-Q74 WeakPolarHBondContact O-CG 3.26Å; E70-Q74 PolarHBondContact O-N 3.13Å; E70-Q74 PolarHBondContact OE1-NE2 2.82Å |
| 71 | V | 73.9 | Confident | 65.4 | Low | 69 Ų | 69 | 114.3 Ų | 114.3 | 42% | 0.418 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.6 | -42.2 | 173.4 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | L67 Q68 Q74 M75 | L67-V71 WeakPolarHBondContact O-CB 3.22Å; L67-V71 WeakPolarHBondContact O-CG2 3.23Å; L67-V71 PolarHBondContact O-N 3.25Å; Q68-V71 PolarHBondContact O-N 2.79Å; V71-Q74 PolarHBondContact O-N 2.8Å; V71-M75 HydrophobicContact CG1-CE 3.42Å; V71-M75 VanDerWaalsContact CG1-CE 3.42Å; V71-M75 HydrophobicContact CG1-SD 3.97Å; V71-M75 WeakPolarHBondContact O-CB 3.38Å; V71-M75 WeakPolarHBondContact O-CG 3.35Å; V71-M75 PolarHBondContact O-N 2.88Å |
| 72 | E | 62.7 | Low | 64 | Low | 120 Ų | 120 | 119.1 Ų | 119.1 | 56% | 0.561 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.7 | -39 | 175.7 | -75 | 179.1 | -175.3 | 0 | 0 | 112.6 | Q68 E70 M75 N76 | Q68-E72 WeakPolarHBondContact O-CB 3.35Å; Q68-E72 WeakPolarHBondContact O-CG 3.26Å; Q68-E72 PolarHBondContact O-N 2.83Å; E70-E72 VanDerWaalsContact C-N 3.35Å; E72-M75 PolarHBondContact O-N 3.08Å; E72-N76 PolarHBondContact O-N 3.49Å |
| 73 | K | 68.4 | Low | 62.4 | Low | 139 Ų | 139 | 115 Ų | 115 | 60% | 0.604 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.7 | -38.5 | 173.2 | -79.1 | 172.9 | -176.8 | 174.1 | 0 | 112.2 | N69 E70 M75 N76 | N69-K73 WeakPolarHBondContact O-CB 3.42Å; N69-K73 VanDerWaalsContact O-CG 3.26Å; N69-K73 WeakPolarHBondContact O-CG 3.41Å; N69-K73 PolarHBondContact O-N 3.36Å; E70-K73 PolarHBondContact O-N 2.78Å; K73-M75 VanDerWaalsContact C-N 3.28Å; K73-M75 PolarHBondContact O-N 3.3Å; K73-N76 PolarHBondContact O-N 3.23Å |
| 74 | Q | 57 | Low | 60.7 | Low | 128 Ų | 128 | 115.1 Ų | 115.1 | 60% | 0.598 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.5 | -27.9 | 175.1 | -73.8 | 178.4 | 15.1 | 0 | 0 | 112.3 | E70 V71 N76 | E70-Q74 WeakPolarHBondContact O-CB 3.36Å; E70-Q74 VanDerWaalsContact O-CG 3.27Å; E70-Q74 WeakPolarHBondContact O-CG 3.26Å; E70-Q74 PolarHBondContact O-N 3.13Å; E70-Q74 PolarHBondContact OE1-NE2 2.82Å; V71-Q74 PolarHBondContact O-N 2.8Å; Q74-N76 VanDerWaalsContact C-N 3.29Å; Q74-N76 PolarHBondContact O-N 2.82Å |
| 75 | M | 55.1 | Low | 59.7 | Low | 140 Ų | 140 | 113.6 Ų | 113.6 | 69% | 0.69 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.1 | -15.6 | 173.9 | -71.9 | 172.6 | 176.3 | 0 | 0 | 113.7 | V71 E72 K73 | V71-M75 HydrophobicContact CG1-CE 3.42Å; V71-M75 VanDerWaalsContact CG1-CE 3.42Å; V71-M75 HydrophobicContact CG1-SD 3.97Å; V71-M75 WeakPolarHBondContact O-CB 3.38Å; V71-M75 WeakPolarHBondContact O-CG 3.35Å; V71-M75 PolarHBondContact O-N 2.88Å; E72-M75 PolarHBondContact O-N 3.08Å; K73-M75 VanDerWaalsContact C-N 3.28Å; K73-M75 PolarHBondContact O-N 3.3Å |
| 76 | N | 59.5 | Low | 58.4 | Low | 140 Ų | 140 | 114.9 Ų | 114.9 | 75% | 0.749 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 2.1 | -176.5 | -88.5 | 14.1 | 0 | 0 | 0 | 115.8 | E72 K73 Q74 | E72-N76 PolarHBondContact O-N 3.49Å; K73-N76 PolarHBondContact O-N 3.23Å; Q74-N76 VanDerWaalsContact C-N 3.29Å; Q74-N76 PolarHBondContact O-N 2.82Å |
| 77 | L | 55.4 | Low | 57.3 | Low | 149 Ų | 149 | 111.7 Ų | 111.7 | 78% | 0.78 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -131.2 | 61.1 | -177.2 | -69.4 | 174.4 | 0 | 0 | 0 | 114.9 | ||
| 78 | S | 43 | Very low | 57.4 | Low | 114 Ų | 114 | 108.9 Ų | 108.9 | 80% | 0.797 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 101 | 150.9 | 164.4 | -138.8 | 0 | 0 | 0 | 0 | 116.2 | ||
| 79 | P | 47.4 | Very low | 57.7 | Low | 109 Ų | 109 | 109.4 Ų | 109.4 | 71% | 0.708 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 156.6 | -146.8 | 35.7 | -35.8 | 0 | 0 | 0 | 113.9 | ||
| 80 | P | 43.2 | Very low | 57.7 | Low | 95 Ų | 95 | 113.4 Ų | 113.4 | 62% | 0.617 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 154.3 | 179 | 32.1 | -33.2 | 0 | 0 | 0 | 112.7 | V85 | P80-V85 HydrophobicContact CG-CG2 4.46Š|
| 81 | P | 47.6 | Very low | 58 | Low | 112 Ų | 112 | 113.3 Ų | 113.3 | 73% | 0.727 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 151.5 | -177.1 | 32.8 | -34.4 | 0 | 0 | 0 | 112.6 | G83 | P81-G83 PolarHBondContact O-N 2.78Å; P81-G83 VanDerWaalsContact O-N 3.1Å |
| 82 | V | 43.1 | Very low | 58.5 | Low | 157 Ų | 157 | 114.8 Ų | 114.8 | 95% | 0.952 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -10.6 | 93.4 | 162.7 | -73.4 | 0 | 0 | 0 | 0 | 116.9 | ||
| 83 | G | 47.2 | Very low | 59.4 | Low | 46 Ų | 46 | 112.4 Ų | 112.4 | 47% | 0.474 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -175 | 162.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P81 V85 | P81-G83 PolarHBondContact O-N 2.78Å; P81-G83 VanDerWaalsContact O-N 3.1Å; G83-V85 VanDerWaalsContact C-N 3.3Å; G83-V85 PolarHBondContact O-N 2.98Å |
| 84 | P | 45.8 | Very low | 60.3 | Low | 136 Ų | 136 | 109.9 Ų | 109.9 | 88% | 0.883 | 62% | 0.616 | S | S | * | * | trans | -68.4 | 93.4 | -178.7 | 28.8 | -31.4 | 0 | 0 | 0 | 108.9 | I86 | P84-I86 PolarHBondContact O-N 3.03Å; P84-I86 VanDerWaalsContact O-N 3.13Å | ||
| 85 | V | 46 | Very low | 61.7 | Low | 71 Ų | 71 | 104.5 Ų | 104.5 | 43% | 0.43 | 59% | 0.593 | S | S | . | * | trans | -55.5 | 119.5 | 176.3 | -171.7 | 0 | 0 | 0 | 0 | 107.2 | P80 G83 M87 | P80-V85 HydrophobicContact CG-CG2 4.46Å; G83-V85 VanDerWaalsContact C-N 3.3Å; G83-V85 PolarHBondContact O-N 2.98Å; V85-M87 HydrophobicContact CB-CG 4.06Å; V85-M87 HydrophobicContact CG1-CE 3.93Å; V85-M87 HydrophobicContact CG1-CG 3.94Å; V85-M87 PolarHBondContact O-N 3.39Å | ||
| 86 | I | 53.3 | Low | 63.3 | Low | 161 Ų | 161 | 99 Ų | 99 | 83% | 0.826 | 57% | 0.566 | S | S | * | * | trans | -70.9 | 75.9 | 163.8 | -55.2 | 172.7 | 0 | 0 | 0 | 104.7 | P84 S88 | P84-I86 PolarHBondContact O-N 3.03Å; P84-I86 VanDerWaalsContact O-N 3.13Å; I86-S88 PolarHBondContact O-N 2.85Å | ||
| 87 | M | 59.6 | Low | 64.7 | Low | 70 Ų | 70 | 94.3 Ų | 94.3 | 35% | 0.345 | 55% | 0.551 | S | S | . | * | trans | -57 | 137.5 | 173.1 | -50.5 | -131.1 | 82.5 | 0 | 0 | 106.8 | V85 E91 K92 | V85-M87 HydrophobicContact CB-CG 4.06Å; V85-M87 HydrophobicContact CG1-CE 3.93Å; V85-M87 HydrophobicContact CG1-CG 3.94Å; V85-M87 PolarHBondContact O-N 3.39Å; M87-E91 VanDerWaalsContact CE-CD 3.4Å; M87-E91 VanDerWaalsContact CE-OE1 3.23Å; M87-E91 WeakPolarHBondContact CE-OE1 3.4Å; M87-E91 VanDerWaalsContact CE-OE2 3.22Å; M87-E91 WeakPolarHBondContact CE-OE2 3.19Å; M87-K92 HydrophobicContact CB-CD 4.36Å; M87-K92 HydrophobicContact CB-CG 3.77Å; M87-K92 WeakPolarHBondContact O-CE 3.5Å | ||
| 88 | S | 73.8 | Confident | 66.5 | Low | 57 Ų | 57 | 89.7 Ų | 89.7 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | trans | -53.7 | 147.3 | 179.9 | 72.3 | 0 | 0 | 0 | 0 | 108.8 | I86 E90 E91 K92 | I86-S88 PolarHBondContact O-N 2.85Å; S88-E90 PolarHBondContact O-N 3.06Å; S88-E90 VanDerWaalsContact O-N 3.15Å; S88-E91 PolarHBondContact O-N 2.96Å; S88-E91 VanDerWaalsContact O-N 3.11Å; S88-E91 WeakPolarHBondContact OG-CB 3.3Å; S88-E91 PolarHBondContact OG-N 2.92Å; S88-K92 PolarHBondContact O-N 3.43Å | ||
| 89 | I | 77.2 | Confident | 68.9 | Low | 122 Ų | 122 | 84.4 Ų | 84.4 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -56.7 | -35.6 | -176.5 | -66.4 | 169.7 | 0 | 0 | 0 | 110.1 | M93 | I89-M93 HydrophobicContact CG2-CG 4.46Å; I89-M93 HydrophobicContact CG2-SD 3.92Å; I89-M93 WeakPolarHBondContact O-CB 3.42Å; I89-M93 WeakPolarHBondContact O-CG 3.27Å; I89-M93 PolarHBondContact O-N 3.38Å |
| 90 | E | 77.8 | Confident | 71.1 | Confident | 155 Ų | 155 | 79.2 Ų | 79.2 | 72% | 0.724 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.4 | -46.8 | 177 | -71.1 | 147.9 | -169.4 | 0 | 0 | 112.5 | S88 K92 M93 E94 | S88-E90 PolarHBondContact O-N 3.06Å; S88-E90 VanDerWaalsContact O-N 3.15Å; E90-K92 PolarHBondContact O-N 2.83Å; E90-M93 WeakPolarHBondContact O-CB 3.33Å; E90-M93 PolarHBondContact O-N 3.32Å; E90-M93 VanDerWaalsContact O-N 3.16Å; E90-E94 PolarHBondContact O-N 3.5Å |
| 91 | E | 81.9 | Confident | 73.6 | Confident | 90 Ų | 90 | 78 Ų | 78 | 42% | 0.421 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 178.3 | -171.2 | 177.9 | -171.7 | 0 | 0 | 111.4 | M87 S88 M93 E94 A95 | M87-E91 VanDerWaalsContact CE-CD 3.4Å; M87-E91 VanDerWaalsContact CE-OE1 3.23Å; M87-E91 WeakPolarHBondContact CE-OE1 3.4Å; M87-E91 VanDerWaalsContact CE-OE2 3.22Å; M87-E91 WeakPolarHBondContact CE-OE2 3.19Å; S88-E91 PolarHBondContact O-N 2.96Å; S88-E91 VanDerWaalsContact O-N 3.11Å; S88-E91 WeakPolarHBondContact OG-CB 3.3Å; S88-E91 PolarHBondContact OG-N 2.92Å; E91-M93 VanDerWaalsContact C-N 3.33Å; E91-M93 PolarHBondContact O-N 3.28Å; E91-E94 PolarHBondContact O-N 2.93Å; E91-A95 WeakPolarHBondContact O-CB 3.32Å; E91-A95 PolarHBondContact O-N 3.02Å |
| 92 | K | 83.1 | Confident | 75.8 | Confident | 100 Ų | 100 | 72.6 Ų | 72.6 | 44% | 0.435 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 172.7 | -68.2 | -174.3 | -179.3 | 176 | 0 | 112.1 | M87 S88 E90 E94 D96 | M87-K92 HydrophobicContact CB-CD 4.36Å; M87-K92 HydrophobicContact CB-CG 3.77Å; M87-K92 WeakPolarHBondContact O-CE 3.5Å; S88-K92 PolarHBondContact O-N 3.43Å; E90-K92 PolarHBondContact O-N 2.83Å; K92-E94 VanDerWaalsContact C-N 3.32Å; K92-D96 VanDerWaalsContact O-CB 3.23Å; K92-D96 WeakPolarHBondContact O-CB 3.18Å; K92-D96 PolarHBondContact O-N 3.38Å |
| 93 | M | 82.3 | Confident | 78.3 | Confident | 69 Ų | 69 | 65.2 Ų | 65.2 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.6 | -35.8 | 177.8 | -76.2 | 175.2 | 59.9 | 0 | 0 | 111.8 | I89 E90 E91 G97 | I89-M93 HydrophobicContact CG2-CG 4.46Å; I89-M93 HydrophobicContact CG2-SD 3.92Å; I89-M93 WeakPolarHBondContact O-CB 3.42Å; I89-M93 WeakPolarHBondContact O-CG 3.27Å; I89-M93 PolarHBondContact O-N 3.38Å; E90-M93 WeakPolarHBondContact O-CB 3.33Å; E90-M93 PolarHBondContact O-N 3.32Å; E90-M93 VanDerWaalsContact O-N 3.16Å; E91-M93 VanDerWaalsContact C-N 3.33Å; E91-M93 PolarHBondContact O-N 3.28Å; M93-G97 PolarHBondContact O-N 2.88Å |
| 94 | E | 85.9 | Confident | 80.5 | Confident | 87 Ų | 87 | 67.2 Ų | 67.2 | 41% | 0.407 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -73.8 | -42.2 | 176.6 | -171 | 169.7 | -142.8 | 0 | 0 | 112.6 | E90 E91 K92 D96 G97 R98 K149 | E90-E94 PolarHBondContact O-N 3.5Å; E91-E94 PolarHBondContact O-N 2.93Å; K92-E94 VanDerWaalsContact C-N 3.32Å; E94-D96 VanDerWaalsContact C-N 3.3Å; E94-D96 PolarHBondContact O-N 3.41Å; E94-G97 PolarHBondContact O-N 3.41Å; E94-G97 VanDerWaalsContact O-N 3.15Å; E94-R98 PolarHBondContact O-N 2.88Å; E94-R98 IonicContact OE2-NH2 2.98Å; E94-R98 PolarHBondContact OE2-NH2 2.97Å; E94-K149 WeakPolarHBondContact OE1-CE 3.46Å; E94-K149 IonicContact OE1-NZ 3.15Å; E94-K149 PolarHBondContact OE1-NZ 2.99Å |
| 95 | A | 87.4 | Confident | 82.7 | Confident | 14 Ų | 14 | 61 Ų | 61 | 12% | 0.116 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | E91 G97 R98 S99 E145 | E91-A95 WeakPolarHBondContact O-CB 3.32Å; E91-A95 PolarHBondContact O-N 3.02Å; A95-G97 VanDerWaalsContact C-N 3.3Å; A95-G97 PolarHBondContact O-N 3.47Å; A95-R98 CarbonylContact O-C 3.43Å; A95-R98 PolarHBondContact O-N 3.38Å; A95-R98 VanDerWaalsContact O-N 3.13Å; A95-S99 VanDerWaalsContact O-CB 3.29Å; A95-S99 WeakPolarHBondContact O-CB 3.46Å; A95-S99 PolarHBondContact O-N 3.36Å; A95-S99 PolarHBondContact O-OG 3.02Å; A95-E145 WeakPolarHBondContact CB-OE1 3.35Å |
| 96 | D | 87.9 | Confident | 85 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 13% | 0.128 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 173.3 | -76.7 | -10 | 0 | 0 | 0 | 111.8 | K92 E94 R98 S99 K173 T175 | K92-D96 VanDerWaalsContact O-CB 3.23Å; K92-D96 WeakPolarHBondContact O-CB 3.18Å; K92-D96 PolarHBondContact O-N 3.38Å; E94-D96 VanDerWaalsContact C-N 3.3Å; E94-D96 PolarHBondContact O-N 3.41Å; D96-R98 VanDerWaalsContact C-N 3.27Å; D96-R98 PolarHBondContact O-N 3.29Å; D96-S99 PolarHBondContact O-N 3.24Å; D96-K173 HydrophobicContact CB-CD 4.48Å; D96-K173 WeakPolarHBondContact OD1-CE 3.4Å; D96-K173 IonicContact OD1-NZ 4Å; D96-K173 PolarHBondContact OD1-NZ 3.43Å; D96-T175 WeakPolarHBondContact OD2-CA 3.43Å; D96-T175 WeakPolarHBondContact OD2-CB 3.36Å; D96-T175 PolarHBondContact OD2-OG1 2.85Å; D96-T175 VanDerWaalsContact OD2-OG1 3.09Å |
| 97 | G | 89.6 | Confident | 86.8 | Confident | 43 Ų | 43 | 58 Ų | 58 | 44% | 0.443 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.9 | -23.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M93 E94 A95 | M93-G97 PolarHBondContact O-N 2.88Å; E94-G97 PolarHBondContact O-N 3.41Å; E94-G97 VanDerWaalsContact O-N 3.15Å; A95-G97 VanDerWaalsContact C-N 3.3Å; A95-G97 PolarHBondContact O-N 3.47Å |
| 98 | R | 92.8 | Very high | 88.3 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 19% | 0.192 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.6 | 173.1 | -72.7 | -175.3 | -87.4 | 160.7 | -3.4 | 113.5 | E94 A95 D96 F146 A147 K149 V152 | E94-R98 PolarHBondContact O-N 2.88Å; E94-R98 IonicContact OE2-NH2 2.98Å; E94-R98 PolarHBondContact OE2-NH2 2.97Å; A95-R98 CarbonylContact O-C 3.43Å; A95-R98 PolarHBondContact O-N 3.38Å; A95-R98 VanDerWaalsContact O-N 3.13Å; D96-R98 VanDerWaalsContact C-N 3.27Å; D96-R98 PolarHBondContact O-N 3.29Å; R98-F146 PolarHBondContact O-N 2.81Å; R98-A147 WeakPolarHBondContact CD-O 3.24Å; R98-A147 PolarHBondContact NH1-O 3.27Å; R98-K149 HydrophobicContact CG-CB 4.23Å; R98-K149 HydrophobicContact CG-CD 4.33Å; R98-K149 HydrophobicContact CG-CG 3.26Å; R98-V152 VanDerWaalsContact C-CG2 3.42Å; R98-V152 WeakPolarHBondContact O-CG2 3.48Å |
| 99 | S | 93.4 | Very high | 89 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 146.5 | -176.4 | -66.8 | 0 | 0 | 0 | 0 | 112.6 | A95 D96 I144 K173 | A95-S99 VanDerWaalsContact O-CB 3.29Å; A95-S99 WeakPolarHBondContact O-CB 3.46Å; A95-S99 PolarHBondContact O-N 3.36Å; A95-S99 PolarHBondContact O-OG 3.02Å; D96-S99 PolarHBondContact O-N 3.24Å; S99-I144 CarbonylContact C-O 3.56Å; S99-I144 WeakPolarHBondContact CA-O 3.2Å; S99-K173 VanDerWaalsContact CB-CD 3.44Å; S99-K173 VanDerWaalsContact O-CB 3.25Å; S99-K173 WeakPolarHBondContact O-CB 3.34Å; S99-K173 PolarHBondContact O-N 3.46Å |
| 100 | I | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 154.3 | 167.8 | 60.4 | 169.9 | 0 | 0 | 0 | 111.2 | V102 F118 Y143 I144 F146 V152 A155 V170 G171 | I100-V102 HydrophobicContact CD1-CG2 3.83Å; I100-V102 HydrophobicContact CG1-CG2 4.2Å; I100-F118 HydrophobicContact CD1-CD1 3.95Å; I100-F118 HydrophobicContact CD1-CE1 3.83Å; I100-F118 HydrophobicContact CD1-CE2 4.48Å; I100-F118 HydrophobicContact CD1-CG 4.34Å; I100-F118 HydrophobicContact CD1-CZ 4.11Å; I100-Y143 WeakPolarHBondContact O-CA 3.44Å; I100-I144 HydrophobicContact CD1-CB 4.11Å; I100-I144 HydrophobicContact CD1-CD1 4.25Å; I100-I144 HydrophobicContact CG1-CB 3.73Å; I100-I144 HydrophobicContact CG1-CG1 4.49Å; I100-I144 PolarHBondContact N-O 3.49Å; I100-I144 PolarHBondContact O-N 3.15Å; I100-I144 VanDerWaalsContact O-N 3.09Å; I100-F146 HydrophobicContact CB-CE2 4.35Å; I100-F146 HydrophobicContact CD1-CE2 3.58Å; I100-F146 HydrophobicContact CD1-CZ 3.82Å; I100-F146 HydrophobicContact CG1-CE2 3.64Å; I100-F146 HydrophobicContact CG1-CZ 4.31Å; I100-F146 HydrophobicContact CG2-CD2 4.46Å; I100-F146 HydrophobicContact CG2-CE2 3.87Å; I100-V152 HydrophobicContact CG2-CB 4.25Å; I100-V152 HydrophobicContact CG2-CG1 3.81Å; I100-V152 HydrophobicContact CG2-CG2 4.32Å; I100-A155 HydrophobicContact CD1-CB 3.92Å; I100-A155 HydrophobicContact CG2-CB 4.24Å; I100-V170 HydrophobicContact CB-CG1 4.3Å; I100-V170 HydrophobicContact CD1-CG1 3.96Å; I100-V170 HydrophobicContact CG2-CG1 4.48Å; I100-G171 CarbonylContact C-O 3.54Å; I100-G171 WeakPolarHBondContact CA-O 3.34Å |
| 101 | Y | 95.1 | Very high | 90.5 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 27% | 0.271 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.6 | 164.8 | 164.4 | -98.4 | 0 | 0 | 0 | 108.9 | F141 Y143 V170 G171 | Y101-F141 HydrophobicContact CE2-CB 4.16Å; Y101-F141 AromaticContact CE2-CD1 3.67Å; Y101-F141 HydrophobicContact CE2-CD1 3.67Å; Y101-F141 HydrophobicContact CE2-CE1 4.45Å; Y101-F141 HydrophobicContact CE2-CG 4.11Å; Y101-F141 AromaticContact CZ-CD1 3.59Å; Y101-F141 AromaticContact CZ-CE1 3.99Å; Y101-F141 WeakPolarHBondContact OH-CD1 3.37Å; Y101-F141 WeakPolarHBondContact OH-CE1 3.18Å; Y101-Y143 HydrophobicContact CD2-CD1 4.36Å; Y101-Y143 AromaticContact CD2-CE1 3.71Å; Y101-Y143 HydrophobicContact CD2-CE1 3.71Å; Y101-Y143 HydrophobicContact CG-CE1 4.39Å; Y101-V170 CarbonylContact O-C 3.57Å; Y101-V170 WeakPolarHBondContact O-CA 3.23Å; Y101-G171 PolarHBondContact N-O 3.44Å; Y101-G171 PolarHBondContact O-N 3.01Å |
| 102 | V | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122 | 174.6 | -169.3 | 0 | 0 | 0 | 0 | 108.3 | I100 V105 F118 F141 A142 I144 I168 K169 | I100-V102 HydrophobicContact CD1-CG2 3.83Å; I100-V102 HydrophobicContact CG1-CG2 4.2Å; V102-V105 HydrophobicContact CB-CG2 4.12Å; V102-V105 HydrophobicContact CG1-CG2 3.55Å; V102-F118 HydrophobicContact CG1-CE2 4.35Å; V102-F118 HydrophobicContact CG1-CZ 4.35Å; V102-F118 HydrophobicContact CG2-CE2 3.88Å; V102-F118 HydrophobicContact CG2-CZ 3.89Å; V102-F141 CarbonylContact O-C 3.58Å; V102-F141 WeakPolarHBondContact O-CA 3.44Å; V102-A142 HydrophobicContact CB-CB 4.44Å; V102-A142 PolarHBondContact N-O 2.82Å; V102-A142 PolarHBondContact O-N 3Å; V102-I144 HydrophobicContact CG2-CD1 3.9Å; V102-I144 HydrophobicContact CG2-CG1 4.32Å; V102-I168 HydrophobicContact CG1-CB 4.14Å; V102-I168 HydrophobicContact CG1-CD1 4.06Å; V102-I168 HydrophobicContact CG1-CG2 4.48Å; V102-K169 CarbonylContact C-O 3.59Å; V102-K169 WeakPolarHBondContact CA-O 3.14Å |
| 103 | G | 94.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 166.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V105 I168 K169 | G103-V105 PolarHBondContact O-N 3.09Å; G103-I168 WeakPolarHBondContact O-CA 3.42Å; G103-K169 PolarHBondContact N-O 3.25Å; G103-K169 PolarHBondContact O-N 3.05Å |
| 104 | N | 94.1 | Very high | 92 | Very high | 88 Ų | 88 | 44.5 Ų | 44.5 | 47% | 0.471 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 59.2 | 31.3 | -172.5 | -162 | 42.7 | 0 | 0 | 0 | 113.2 | G140 Q167 | N104-G140 PolarHBondContact N-O 3.03Å; N104-Q167 PolarHBondContact ND2-O 3.24Å |
| 105 | V | 93.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | trans | -70.4 | 143.3 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | V102 G103 A109 L114 G140 A142 F163 | V102-V105 HydrophobicContact CB-CG2 4.12Å; V102-V105 HydrophobicContact CG1-CG2 3.55Å; G103-V105 PolarHBondContact O-N 3.09Å; V105-A109 HydrophobicContact CG1-CB 3.43Å; V105-A109 VanDerWaalsContact CG1-CB 3.43Å; V105-L114 HydrophobicContact CG1-CD1 4.33Å; V105-L114 HydrophobicContact CG1-CD2 4.06Å; V105-L114 HydrophobicContact CG2-CD2 4.44Å; V105-G140 PolarHBondContact N-O 3.44Å; V105-G140 WeakPolarHBondContact O-CA 3.35Å; V105-A142 HydrophobicContact CG2-CB 4.41Å; V105-F163 HydrophobicContact CG1-CE1 4.25Å | ||
| 106 | D | 93.3 | Very high | 92.7 | Very high | 26 Ų | 26 | 47.2 Ų | 47.2 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | trans | -62.7 | 147.8 | 175.9 | -172.5 | 62 | 0 | 0 | 0 | 111.9 | G108 A109 R164 R166 | D106-G108 VanDerWaalsContact C-N 3.26Å; D106-G108 PolarHBondContact O-N 2.6Å; D106-G108 WeakPolarHBondContact OD2-CA 3.42Å; D106-G108 PolarHBondContact OD2-N 2.99Å; D106-A109 WeakPolarHBondContact O-CB 3.38Å; D106-A109 PolarHBondContact O-N 2.78Å; D106-R164 HydrophobicContact CB-CB 4.32Å; D106-R164 IonicContact OD2-CZ 3.16Å; D106-R164 IonicContact OD2-NE 3.99Å; D106-R164 IonicContact OD2-NH2 3.71Å; D106-R166 IonicContact OD1-CZ 3.81Å; D106-R166 IonicContact OD1-NE 2.82Å; D106-R166 PolarHBondContact OD1-NE 2.99Å; D106-R166 IonicContact OD1-NH1 3.8Å; D106-R166 PolarHBondContact OD1-NH1 2.91Å; D106-R166 IonicContact OD1-NH2 3.87Å; D106-R166 PolarHBondContact OD1-NH2 3.35Å; D106-R166 VanDerWaalsContact OD1-NH2 3.15Å | ||
| 107 | Y | 91.2 | Very high | 92.9 | Very high | 144 Ų | 144 | 48.6 Ų | 48.6 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -24.9 | -178.6 | -62 | -66.1 | 0 | 0 | 0 | 112.8 | A109 P138 | Y107-A109 VanDerWaalsContact C-N 3.31Å; Y107-P138 HydrophobicContact CD1-CB 4.3Å; Y107-P138 HydrophobicContact CD1-CG 3.99Å; Y107-P138 WeakPolarHBondContact CD1-O 3.5Å; Y107-P138 WeakPolarHBondContact CE1-O 3.39Å; Y107-P138 HydrophobicContact CG-CG 4.49Å; Y107-P138 WeakPolarHBondContact O-CG 3.43Å |
| 108 | G | 90.3 | Very high | 93.1 | Very high | 40 Ų | 40 | 46.6 Ų | 46.6 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 2.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D106 R164 | D106-G108 VanDerWaalsContact C-N 3.26Å; D106-G108 PolarHBondContact O-N 2.6Å; D106-G108 WeakPolarHBondContact OD2-CA 3.42Å; D106-G108 PolarHBondContact OD2-N 2.99Å; G108-R164 PolarHBondContact O-NH1 3.47Å |
| 109 | A | 90.2 | Very high | 93 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 11% | 0.107 | 27% | 0.269 | C | S | . | . | trans | -65.2 | 132.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V105 D106 Y107 F163 | V105-A109 HydrophobicContact CG1-CB 3.43Å; V105-A109 VanDerWaalsContact CG1-CB 3.43Å; D106-A109 WeakPolarHBondContact O-CB 3.38Å; D106-A109 PolarHBondContact O-N 2.78Å; Y107-A109 VanDerWaalsContact C-N 3.31Å; A109-F163 HydrophobicContact CB-CE1 3.61Å; A109-F163 HydrophobicContact CB-CZ 3.99Å | ||
| 110 | T | 93 | Very high | 92.9 | Very high | 61 Ų | 61 | 53.9 Ų | 53.9 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | trans | -95 | 160.6 | 172.9 | 65.8 | 0 | 0 | 0 | 0 | 110.7 | E112 E113 L114 | T110-E112 VanDerWaalsContact C-N 3.25Å; T110-E112 PolarHBondContact O-N 2.96Å; T110-E113 PolarHBondContact N-OE2 2.84Å; T110-E113 PolarHBondContact O-N 2.87Å; T110-E113 VanDerWaalsContact OG1-CG 3.31Å; T110-E113 WeakPolarHBondContact OG1-CG 3.37Å; T110-E113 PolarHBondContact OG1-N 2.87Å; T110-L114 PolarHBondContact O-N 3.32Å | ||
| 111 | A | 91.7 | Very high | 92.6 | Very high | 42 Ų | 42 | 54.9 Ų | 54.9 | 35% | 0.347 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -38 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E113 L114 E115 V127 | A111-E113 PolarHBondContact O-N 2.78Å; A111-L114 PolarHBondContact O-N 2.9Å; A111-E115 WeakPolarHBondContact O-CB 3.48Å; A111-E115 PolarHBondContact O-N 2.73Å; A111-V127 HydrophobicContact CB-CB 4.13Å; A111-V127 HydrophobicContact CB-CG1 3.98Å |
| 112 | E | 93.4 | Very high | 92.4 | Very high | 151 Ų | 151 | 52.5 Ų | 52.5 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62 | -42 | 178.4 | -62.2 | 175.5 | -178.3 | 0 | 0 | 112.3 | T110 E115 A116 | T110-E112 VanDerWaalsContact C-N 3.25Å; T110-E112 PolarHBondContact O-N 2.96Å; E112-E115 PolarHBondContact O-N 3.05Å; E112-A116 WeakPolarHBondContact O-CB 2.95Å; E112-A116 PolarHBondContact O-N 3.16Å |
| 113 | E | 93.8 | Very high | 92.4 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 33% | 0.332 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 177.2 | -74.3 | 173.5 | 171 | 0 | 0 | 111.9 | T110 A111 H117 F163 R164 | T110-E113 PolarHBondContact N-OE2 2.84Å; T110-E113 PolarHBondContact O-N 2.87Å; T110-E113 VanDerWaalsContact OG1-CG 3.31Å; T110-E113 WeakPolarHBondContact OG1-CG 3.37Å; T110-E113 PolarHBondContact OG1-N 2.87Å; A111-E113 PolarHBondContact O-N 2.78Å; E113-H117 PolarHBondContact O-N 2.8Å; E113-H117 VanDerWaalsContact O-N 3.1Å; E113-F163 HydrophobicContact CB-CE2 3.97Å; E113-F163 HydrophobicContact CB-CZ 3.78Å; E113-R164 IonicContact OE1-CZ 3.24Å; E113-R164 IonicContact OE1-NH1 3.38Å; E113-R164 PolarHBondContact OE1-NH1 3.36Å; E113-R164 VanDerWaalsContact OE1-NH1 3.16Å; E113-R164 WeakPolarHBondContact OE2-CD 3.41Å; E113-R164 IonicContact OE2-CZ 2.6Å; E113-R164 IonicContact OE2-NE 2.76Å; E113-R164 IonicContact OE2-NH1 3.44Å; E113-R164 PolarHBondContact OE2-NH1 3.24Å |
| 114 | L | 92.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 175.7 | -71.7 | 173.3 | 0 | 0 | 0 | 111.1 | V105 T110 A111 H117 F118 V127 I129 A142 I144 F163 | V105-L114 HydrophobicContact CG1-CD1 4.33Å; V105-L114 HydrophobicContact CG1-CD2 4.06Å; V105-L114 HydrophobicContact CG2-CD2 4.44Å; T110-L114 PolarHBondContact O-N 3.32Å; A111-L114 PolarHBondContact O-N 2.9Å; L114-H117 PolarHBondContact O-N 2.88Å; L114-F118 VanDerWaalsContact O-CD2 3.26Å; L114-F118 WeakPolarHBondContact O-CD2 3.16Å; L114-F118 PolarHBondContact O-N 3.28Å; L114-F118 VanDerWaalsContact O-N 3.13Å; L114-V127 HydrophobicContact CB-CG1 4.35Å; L114-V127 HydrophobicContact CD1-CG1 4.13Å; L114-I129 HydrophobicContact CD1-CD1 4.15Å; L114-I129 HydrophobicContact CD1-CG1 4.06Å; L114-A142 HydrophobicContact CD1-CB 3.69Å; L114-I144 HydrophobicContact CB-CD1 4.23Å; L114-F163 HydrophobicContact CD2-CE1 4.4Å; L114-F163 HydrophobicContact CD2-CE2 4.24Å; L114-F163 HydrophobicContact CD2-CZ 4.08Å; L114-F163 HydrophobicContact CG-CZ 4.43Å |
| 115 | E | 93.8 | Very high | 92.3 | Very high | 86 Ų | 86 | 56.9 Ų | 56.9 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 176.3 | -171.8 | 176.3 | 172 | 0 | 0 | 111.3 | A111 E112 H117 F118 H119 V124 V127 | A111-E115 WeakPolarHBondContact O-CB 3.48Å; A111-E115 PolarHBondContact O-N 2.73Å; E112-E115 PolarHBondContact O-N 3.05Å; E115-H117 VanDerWaalsContact C-N 3.32Å; E115-H117 PolarHBondContact O-N 3.45Å; E115-F118 CarbonylContact O-C 3.57Å; E115-F118 PolarHBondContact O-N 3.42Å; E115-H119 WeakPolarHBondContact O-CB 3.45Å; E115-H119 PolarHBondContact O-N 2.95Å; E115-V124 HydrophobicContact CG-CB 4.06Å; E115-V124 HydrophobicContact CG-CG1 4.31Å; E115-V124 HydrophobicContact CG-CG2 4.22Å; E115-V127 HydrophobicContact CB-CG2 4.36Å |
| 116 | A | 93.4 | Very high | 92.2 | Very high | 72 Ų | 72 | 64 Ų | 64 | 60% | 0.595 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.4 | -39 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E112 | E112-A116 WeakPolarHBondContact O-CB 2.95Å; E112-A116 PolarHBondContact O-N 3.16Å |
| 117 | H | 92.6 | Very high | 92.3 | Very high | 54 Ų | 54 | 64.2 Ų | 64.2 | 25% | 0.25 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 178.2 | -169.2 | 77.3 | 0 | 0 | 0 | 112.5 | E113 L114 E115 S161 F163 | E113-H117 PolarHBondContact O-N 2.8Å; E113-H117 VanDerWaalsContact O-N 3.1Å; L114-H117 PolarHBondContact O-N 2.88Å; E115-H117 VanDerWaalsContact C-N 3.32Å; E115-H117 PolarHBondContact O-N 3.45Å; H117-S161 PolarHBondContact NE2-OG 3.38Å; H117-F163 HydrophobicContact CB-CD2 4.43Å |
| 118 | F | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -95.3 | -3.6 | -178.4 | -70.7 | -74.7 | 0 | 0 | 0 | 114.2 | I100 V102 L114 E115 G120 C121 G122 I144 F146 A155 I168 V170 | I100-F118 HydrophobicContact CD1-CD1 3.95Å; I100-F118 HydrophobicContact CD1-CE1 3.83Å; I100-F118 HydrophobicContact CD1-CE2 4.48Å; I100-F118 HydrophobicContact CD1-CG 4.34Å; I100-F118 HydrophobicContact CD1-CZ 4.11Å; V102-F118 HydrophobicContact CG1-CE2 4.35Å; V102-F118 HydrophobicContact CG1-CZ 4.35Å; V102-F118 HydrophobicContact CG2-CE2 3.88Å; V102-F118 HydrophobicContact CG2-CZ 3.89Å; L114-F118 VanDerWaalsContact O-CD2 3.26Å; L114-F118 WeakPolarHBondContact O-CD2 3.16Å; L114-F118 PolarHBondContact O-N 3.28Å; L114-F118 VanDerWaalsContact O-N 3.13Å; E115-F118 CarbonylContact O-C 3.57Å; E115-F118 PolarHBondContact O-N 3.42Å; F118-G120 PolarHBondContact O-N 3.48Å; F118-C121 WeakPolarHBondContact O-CB 2.92Å; F118-C121 PolarHBondContact O-N 2.98Å; F118-G122 PolarHBondContact O-N 2.98Å; F118-I144 HydrophobicContact CD2-CD1 3.27Å; F118-I144 HydrophobicContact CE2-CD1 3.62Å; F118-I144 HydrophobicContact CG-CD1 4.04Å; F118-F146 HydrophobicContact CB-CE1 4.16Å; F118-F146 HydrophobicContact CB-CZ 4.03Å; F118-F146 HydrophobicContact CD1-CZ 4.41Å; F118-F146 HydrophobicContact CG-CZ 4.42Å; F118-A155 HydrophobicContact CD1-CB 3.95Å; F118-A155 HydrophobicContact CE1-CB 4.18Å; F118-I168 HydrophobicContact CE2-CD1 4.13Å; F118-I168 HydrophobicContact CZ-CD1 3.72Å; F118-V170 HydrophobicContact CE1-CG1 4.38Å; F118-V170 HydrophobicContact CE1-CG2 3.95Å; F118-V170 HydrophobicContact CZ-CG2 3.73Å |
| 119 | H | 91.6 | Very high | 92.5 | Very high | 129 Ų | 129 | 60.4 Ų | 60.4 | 60% | 0.597 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -34.3 | 178.3 | -170.3 | 77.8 | 0 | 0 | 0 | 112.5 | E115 C121 G122 | E115-H119 WeakPolarHBondContact O-CB 3.45Å; E115-H119 PolarHBondContact O-N 2.95Å; H119-C121 PolarHBondContact O-N 3.45Å; H119-G122 PolarHBondContact O-N 3.23Å |
| 120 | G | 90.3 | Very high | 92.5 | Very high | 78 Ų | 78 | 63 Ų | 63 | 80% | 0.804 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F118 | F118-G120 PolarHBondContact O-N 3.48Š|
| 121 | C | 89.1 | Confident | 92.4 | Very high | 22 Ų | 22 | 62.9 Ų | 62.9 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -24.5 | 179.6 | -65.4 | 0 | 0 | 0 | 0 | 113.3 | F118 H119 T154 A155 L158 | F118-C121 WeakPolarHBondContact O-CB 2.92Å; F118-C121 PolarHBondContact O-N 2.98Å; H119-C121 PolarHBondContact O-N 3.45Å; C121-T154 WeakPolarHBondContact CB-OG1 3.36Å; C121-T154 PolarHBondContact O-OG1 2.97Å; C121-A155 HydrophobicContact CB-CB 4.13Å; C121-L158 WeakPolarHBondContact SG-CD1 3.38Å |
| 122 | G | 92.1 | Very high | 92.3 | Very high | 18 Ų | 18 | 63.6 Ų | 63.6 | 19% | 0.186 | 36% | 0.359 | C | S | . | . | trans | 165.1 | 174.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F118 H119 V124 S151 | F118-G122 PolarHBondContact O-N 2.98Å; H119-G122 PolarHBondContact O-N 3.23Å; G122-V124 PolarHBondContact O-N 3.26Å; G122-S151 WeakPolarHBondContact CA-OG 3.4Å | ||
| 123 | S | 93.9 | Very high | 92.1 | Very high | 71 Ų | 71 | 65.9 Ų | 65.9 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | trans | -74 | 124 | 178 | -170.7 | 0 | 0 | 0 | 0 | 111 | F146 A147 | S123-F146 CarbonylContact O-C 3.58Å; S123-F146 WeakPolarHBondContact O-CA 3.19Å; S123-A147 PolarHBondContact O-N 2.86Å | ||
| 124 | V | 94.1 | Very high | 91.8 | Very high | 18 Ų | 18 | 72.9 Ų | 72.9 | 11% | 0.109 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126.8 | 179.7 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | E115 G122 V127 I144 F146 | E115-V124 HydrophobicContact CG-CB 4.06Å; E115-V124 HydrophobicContact CG-CG1 4.31Å; E115-V124 HydrophobicContact CG-CG2 4.22Å; G122-V124 PolarHBondContact O-N 3.26Å; V124-V127 HydrophobicContact CG1-CG2 3.68Å; V124-I144 HydrophobicContact CB-CG2 4.49Å; V124-I144 HydrophobicContact CG1-CG2 3.7Å; V124-I144 HydrophobicContact CG2-CG2 4.01Å; V124-F146 HydrophobicContact CG2-CD1 3.95Å; V124-F146 HydrophobicContact CG2-CE1 3.71Å |
| 125 | N | 92.3 | Very high | 91.6 | Very high | 93 Ų | 93 | 76.7 Ų | 76.7 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -42.6 | 173.6 | -82.1 | -7.2 | 0 | 0 | 0 | 111.7 | E145 | N125-E145 HydrophobicContact CB-CG 4.34Å; N125-E145 PolarHBondContact N-O 3.39Å |
| 126 | R | 91.6 | Very high | 91.2 | Very high | 155 Ų | 155 | 75 Ų | 75 | 59% | 0.585 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 134.9 | -173.6 | -173.1 | 178 | 176.7 | 168.6 | 4.4 | 112.4 | I144 E145 | R126-I144 WeakPolarHBondContact O-CA 3.38Å; R126-E145 HydrophobicContact CB-CB 4.11Å; R126-E145 PolarHBondContact N-O 3.2Å; R126-E145 PolarHBondContact O-N 3.22Å |
| 127 | V | 94 | Very high | 90.8 | Very high | 30 Ų | 30 | 77.8 Ų | 77.8 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.2 | 170.6 | -177 | 0 | 0 | 0 | 0 | 109.5 | A111 L114 E115 V124 I144 | A111-V127 HydrophobicContact CB-CB 4.13Å; A111-V127 HydrophobicContact CB-CG1 3.98Å; L114-V127 HydrophobicContact CB-CG1 4.35Å; L114-V127 HydrophobicContact CD1-CG1 4.13Å; E115-V127 HydrophobicContact CB-CG2 4.36Å; V124-V127 HydrophobicContact CG1-CG2 3.68Å; V127-I144 HydrophobicContact CG1-CG1 4.3Å; V127-I144 HydrophobicContact CG2-CG1 4.36Å; V127-I144 HydrophobicContact CG2-CG2 4.39Å |
| 128 | T | 92.8 | Very high | 90.7 | Very high | 54 Ų | 54 | 76.8 Ų | 76.8 | 33% | 0.331 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 107.6 | 177.9 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | A142 Y143 | T128-A142 CarbonylContact O-C 3.49Å; T128-A142 WeakPolarHBondContact O-CA 3.48Å; T128-Y143 PolarHBondContact N-O 2.64Å; T128-Y143 PolarHBondContact O-N 3.4Å |
| 129 | I | 93 | Very high | 90.5 | Very high | 51 Ų | 51 | 82.6 Ų | 82.6 | 26% | 0.262 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.5 | 174.3 | -58.4 | 174.5 | 0 | 0 | 0 | 108.7 | L114 C131 P138 A142 | L114-I129 HydrophobicContact CD1-CD1 4.15Å; L114-I129 HydrophobicContact CD1-CG1 4.06Å; I129-C131 PolarHBondContact O-N 3.16Å; I129-P138 HydrophobicContact CG2-CB 4.4Å; I129-A142 HydrophobicContact CG1-CB 4.27Å |
| 130 | L | 91 | Very high | 90.5 | Very high | 67 Ų | 67 | 76.8 Ų | 76.8 | 35% | 0.351 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 110.9 | -178.9 | -170.6 | 66 | 0 | 0 | 0 | 110.3 | K139 F141 | L130-K139 HydrophobicContact CD2-CD 4.41Å; L130-K139 VanDerWaalsContact O-CB 3.31Å; L130-K139 WeakPolarHBondContact O-CB 3.41Å; L130-K139 PolarHBondContact O-N 2.94Å; L130-F141 PolarHBondContact N-O 2.94Å |
| 131 | C | 89.9 | Confident | 90.6 | Very high | 58 Ų | 58 | 75.9 Ų | 75.9 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 148.6 | 171.7 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | I129 H137 | I129-C131 PolarHBondContact O-N 3.16Å; C131-H137 WeakPolarHBondContact CA-O 3.45Å |
| 132 | D | 90.3 | Very high | 90.9 | Very high | 58 Ų | 58 | 74.8 Ų | 74.8 | 31% | 0.31 | 39% | 0.386 | S | S | . | . | trans | -66 | 132.4 | 169.8 | 177.4 | 26 | 0 | 0 | 0 | 110 | Y134 T135 G136 H137 | D132-Y134 VanDerWaalsContact C-N 3.27Å; D132-Y134 PolarHBondContact O-N 3.44Å; D132-Y134 PolarHBondContact OD1-N 3.11Å; D132-T135 WeakPolarHBondContact CB-OG1 3.27Å; D132-T135 PolarHBondContact OD2-N 2.92Å; D132-T135 PolarHBondContact OD2-OG1 2.92Å; D132-G136 WeakPolarHBondContact O-CA 3.07Å; D132-G136 PolarHBondContact O-N 3.24Å; D132-H137 PolarHBondContact N-O 2.93Å | ||
| 133 | K | 88.1 | Confident | 91 | Very high | 198 Ų | 198 | 77.6 Ų | 77.6 | 86% | 0.861 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -23.4 | -173.5 | -60.9 | -177.5 | -178.8 | -173.4 | 0 | 112.7 | ||
| 134 | Y | 87.9 | Confident | 91 | Very high | 219 Ų | 219 | 74.2 Ų | 74.2 | 86% | 0.859 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -44 | -176.5 | -57.4 | -74 | 0 | 0 | 0 | 112 | D132 | D132-Y134 VanDerWaalsContact C-N 3.27Å; D132-Y134 PolarHBondContact O-N 3.44Å; D132-Y134 PolarHBondContact OD1-N 3.11Å |
| 135 | T | 88.3 | Confident | 91 | Very high | 79 Ų | 79 | 75.5 Ų | 75.5 | 49% | 0.485 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -16.6 | -177.6 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | D132 H137 | D132-T135 WeakPolarHBondContact CB-OG1 3.27Å; D132-T135 PolarHBondContact OD2-N 2.92Å; D132-T135 PolarHBondContact OD2-OG1 2.92Å; T135-H137 PolarHBondContact O-N 3.44Å; T135-H137 VanDerWaalsContact O-N 3.12Å; T135-H137 PolarHBondContact OG1-N 3.19Å |
| 136 | G | 85.4 | Confident | 91.2 | Very high | 51 Ų | 51 | 71 Ų | 71 | 53% | 0.526 | 35% | 0.349 | S | S | . | . | trans | 68.9 | -1.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D132 | D132-G136 WeakPolarHBondContact O-CA 3.07Å; D132-G136 PolarHBondContact O-N 3.24Å | ||
| 137 | H | 86.2 | Confident | 91.2 | Very high | 130 Ų | 130 | 64.9 Ų | 64.9 | 60% | 0.602 | 33% | 0.331 | S | S | * | . | trans | -74.6 | 136.5 | -178.5 | -66.7 | -24 | 0 | 0 | 0 | 110.6 | C131 D132 T135 K139 | C131-H137 WeakPolarHBondContact CA-O 3.45Å; D132-H137 PolarHBondContact N-O 2.93Å; T135-H137 PolarHBondContact O-N 3.44Å; T135-H137 VanDerWaalsContact O-N 3.12Å; T135-H137 PolarHBondContact OG1-N 3.19Å; H137-K139 PolarHBondContact O-N 3.13Å | ||
| 138 | P | 89.6 | Confident | 91.2 | Very high | 34 Ų | 34 | 68 Ų | 68 | 22% | 0.221 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 137.4 | 176.1 | 15.7 | -19.6 | 0 | 0 | 0 | 109.6 | Y107 I129 G140 | Y107-P138 HydrophobicContact CD1-CB 4.3Å; Y107-P138 HydrophobicContact CD1-CG 3.99Å; Y107-P138 WeakPolarHBondContact CD1-O 3.5Å; Y107-P138 WeakPolarHBondContact CE1-O 3.39Å; Y107-P138 HydrophobicContact CG-CG 4.49Å; Y107-P138 WeakPolarHBondContact O-CG 3.43Å; I129-P138 HydrophobicContact CG2-CB 4.4Å; P138-G140 PolarHBondContact O-N 3.5Å |
| 139 | K | 89 | Confident | 91.1 | Very high | 122 Ų | 122 | 70.6 Ų | 70.6 | 53% | 0.53 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -2.3 | -177.7 | -158.5 | 178.5 | 171.6 | -176.6 | 0 | 112.6 | L130 H137 F141 | L130-K139 HydrophobicContact CD2-CD 4.41Å; L130-K139 VanDerWaalsContact O-CB 3.31Å; L130-K139 WeakPolarHBondContact O-CB 3.41Å; L130-K139 PolarHBondContact O-N 2.94Å; H137-K139 PolarHBondContact O-N 3.13Å; K139-F141 HydrophobicContact CB-CD2 3.86Å; K139-F141 HydrophobicContact CB-CE2 4.42Å; K139-F141 HydrophobicContact CD-CD2 3.78Å; K139-F141 HydrophobicContact CD-CE2 3.98Å; K139-F141 HydrophobicContact CG-CD2 3.62Å; K139-F141 HydrophobicContact CG-CE2 3.74Å; K139-F141 WeakPolarHBondContact O-CD2 3.29Å; K139-F141 WeakPolarHBondContact O-CE2 3.23Å |
| 140 | G | 91.5 | Very high | 91 | Very high | 6 Ų | 6 | 75.1 Ų | 75.1 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.9 | 23.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N104 V105 P138 | N104-G140 PolarHBondContact N-O 3.03Å; V105-G140 PolarHBondContact N-O 3.44Å; V105-G140 WeakPolarHBondContact O-CA 3.35Å; P138-G140 PolarHBondContact O-N 3.5Å |
| 141 | F | 93.2 | Very high | 91.1 | Very high | 59 Ų | 59 | 72.3 Ų | 72.3 | 26% | 0.259 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 140.1 | 177.9 | -56.4 | -60.8 | 0 | 0 | 0 | 110.7 | Y101 V102 L130 K139 | Y101-F141 HydrophobicContact CE2-CB 4.16Å; Y101-F141 AromaticContact CE2-CD1 3.67Å; Y101-F141 HydrophobicContact CE2-CD1 3.67Å; Y101-F141 HydrophobicContact CE2-CE1 4.45Å; Y101-F141 HydrophobicContact CE2-CG 4.11Å; Y101-F141 AromaticContact CZ-CD1 3.59Å; Y101-F141 AromaticContact CZ-CE1 3.99Å; Y101-F141 WeakPolarHBondContact OH-CD1 3.37Å; Y101-F141 WeakPolarHBondContact OH-CE1 3.18Å; V102-F141 CarbonylContact O-C 3.58Å; V102-F141 WeakPolarHBondContact O-CA 3.44Å; L130-F141 PolarHBondContact N-O 2.94Å; K139-F141 HydrophobicContact CB-CD2 3.86Å; K139-F141 HydrophobicContact CB-CE2 4.42Å; K139-F141 HydrophobicContact CD-CD2 3.78Å; K139-F141 HydrophobicContact CD-CE2 3.98Å; K139-F141 HydrophobicContact CG-CD2 3.62Å; K139-F141 HydrophobicContact CG-CE2 3.74Å; K139-F141 WeakPolarHBondContact O-CD2 3.29Å; K139-F141 WeakPolarHBondContact O-CE2 3.23Å |
| 142 | A | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 152.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | V102 V105 L114 T128 I129 | V102-A142 HydrophobicContact CB-CB 4.44Å; V102-A142 PolarHBondContact N-O 2.82Å; V102-A142 PolarHBondContact O-N 3Å; V105-A142 HydrophobicContact CG2-CB 4.41Å; L114-A142 HydrophobicContact CD1-CB 3.69Å; T128-A142 CarbonylContact O-C 3.49Å; T128-A142 WeakPolarHBondContact O-CA 3.48Å; I129-A142 HydrophobicContact CG1-CB 4.27Å |
| 143 | Y | 94.7 | Very high | 91.4 | Very high | 76 Ų | 76 | 76.3 Ų | 76.3 | 30% | 0.298 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135 | 168 | -62.5 | -72.4 | 0 | 0 | 0 | 108.8 | I100 Y101 T128 K173 | I100-Y143 WeakPolarHBondContact O-CA 3.44Å; Y101-Y143 HydrophobicContact CD2-CD1 4.36Å; Y101-Y143 AromaticContact CD2-CE1 3.71Å; Y101-Y143 HydrophobicContact CD2-CE1 3.71Å; Y101-Y143 HydrophobicContact CG-CE1 4.39Å; T128-Y143 PolarHBondContact N-O 2.64Å; T128-Y143 PolarHBondContact O-N 3.4Å; Y143-K173 HydrophobicContact CD1-CD 3.97Å; Y143-K173 HydrophobicContact CD1-CG 3.95Å; Y143-K173 HydrophobicContact CE1-CD 4.43Å; Y143-K173 HydrophobicContact CE1-CG 4.05Å |
| 144 | I | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 123.7 | 177.9 | -57 | 176.9 | 0 | 0 | 0 | 106.9 | S99 I100 V102 L114 F118 V124 R126 V127 F146 | S99-I144 CarbonylContact C-O 3.56Å; S99-I144 WeakPolarHBondContact CA-O 3.2Å; I100-I144 HydrophobicContact CD1-CB 4.11Å; I100-I144 HydrophobicContact CD1-CD1 4.25Å; I100-I144 HydrophobicContact CG1-CB 3.73Å; I100-I144 HydrophobicContact CG1-CG1 4.49Å; I100-I144 PolarHBondContact N-O 3.49Å; I100-I144 PolarHBondContact O-N 3.15Å; I100-I144 VanDerWaalsContact O-N 3.09Å; V102-I144 HydrophobicContact CG2-CD1 3.9Å; V102-I144 HydrophobicContact CG2-CG1 4.32Å; L114-I144 HydrophobicContact CB-CD1 4.23Å; F118-I144 HydrophobicContact CD2-CD1 3.27Å; F118-I144 HydrophobicContact CE2-CD1 3.62Å; F118-I144 HydrophobicContact CG-CD1 4.04Å; V124-I144 HydrophobicContact CB-CG2 4.49Å; V124-I144 HydrophobicContact CG1-CG2 3.7Å; V124-I144 HydrophobicContact CG2-CG2 4.01Å; R126-I144 WeakPolarHBondContact O-CA 3.38Å; V127-I144 HydrophobicContact CG1-CG1 4.3Å; V127-I144 HydrophobicContact CG2-CG1 4.36Å; V127-I144 HydrophobicContact CG2-CG2 4.39Å; I144-F146 HydrophobicContact CG2-CE1 4.24Å; I144-F146 HydrophobicContact CG2-CE2 4.31Å; I144-F146 HydrophobicContact CG2-CZ 4.05Å |
| 145 | E | 94.3 | Very high | 91.8 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.3 | 175.9 | -174.3 | -178.8 | 163.4 | 0 | 0 | 108.6 | A95 N125 R126 | A95-E145 WeakPolarHBondContact CB-OE1 3.35Å; N125-E145 HydrophobicContact CB-CG 4.34Å; N125-E145 PolarHBondContact N-O 3.39Å; R126-E145 HydrophobicContact CB-CB 4.11Å; R126-E145 PolarHBondContact N-O 3.2Å; R126-E145 PolarHBondContact O-N 3.22Å |
| 146 | F | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 160.3 | 175.1 | -65.2 | -77.4 | 0 | 0 | 0 | 111.5 | R98 I100 F118 S123 V124 I144 D148 V152 A155 | R98-F146 PolarHBondContact O-N 2.81Å; I100-F146 HydrophobicContact CB-CE2 4.35Å; I100-F146 HydrophobicContact CD1-CE2 3.58Å; I100-F146 HydrophobicContact CD1-CZ 3.82Å; I100-F146 HydrophobicContact CG1-CE2 3.64Å; I100-F146 HydrophobicContact CG1-CZ 4.31Å; I100-F146 HydrophobicContact CG2-CD2 4.46Å; I100-F146 HydrophobicContact CG2-CE2 3.87Å; F118-F146 HydrophobicContact CB-CE1 4.16Å; F118-F146 HydrophobicContact CB-CZ 4.03Å; F118-F146 HydrophobicContact CD1-CZ 4.41Å; F118-F146 HydrophobicContact CG-CZ 4.42Å; S123-F146 CarbonylContact O-C 3.58Å; S123-F146 WeakPolarHBondContact O-CA 3.19Å; V124-F146 HydrophobicContact CG2-CD1 3.95Å; V124-F146 HydrophobicContact CG2-CE1 3.71Å; I144-F146 HydrophobicContact CG2-CE1 4.24Å; I144-F146 HydrophobicContact CG2-CE2 4.31Å; I144-F146 HydrophobicContact CG2-CZ 4.05Å; F146-D148 VanDerWaalsContact C-N 3.31Å; F146-V152 HydrophobicContact CD2-CG2 4.22Å; F146-A155 HydrophobicContact CE2-CB 3.93Å; F146-A155 HydrophobicContact CZ-CB 3.89Å |
| 147 | A | 92.6 | Very high | 92.4 | Very high | 26 Ų | 26 | 61.2 Ų | 61.2 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -63.3 | -41.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R98 S123 | R98-A147 WeakPolarHBondContact CD-O 3.24Å; R98-A147 PolarHBondContact NH1-O 3.27Å; S123-A147 PolarHBondContact O-N 2.86Å |
| 148 | D | 92.6 | Very high | 92.5 | Very high | 95 Ų | 95 | 58 Ų | 58 | 51% | 0.508 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -113.2 | 149.2 | -172.3 | -60.4 | -50.9 | 0 | 0 | 0 | 113.4 | F146 E150 | F146-D148 VanDerWaalsContact C-N 3.31Å; D148-E150 VanDerWaalsContact C-N 3.28Å; D148-E150 PolarHBondContact O-N 2.9Å |
| 149 | K | 91.1 | Very high | 92.7 | Very high | 109 Ų | 109 | 60.3 Ų | 60.3 | 47% | 0.474 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.8 | -24.9 | 174 | -67.2 | 173.6 | -173.4 | 160.3 | 0 | 112 | E94 R98 V152 | E94-K149 WeakPolarHBondContact OE1-CE 3.46Å; E94-K149 IonicContact OE1-NZ 3.15Å; E94-K149 PolarHBondContact OE1-NZ 2.99Å; R98-K149 HydrophobicContact CG-CB 4.23Å; R98-K149 HydrophobicContact CG-CD 4.33Å; R98-K149 HydrophobicContact CG-CG 3.26Å; K149-V152 WeakPolarHBondContact O-CB 3.45Å; K149-V152 PolarHBondContact O-N 3.46Å |
| 150 | E | 91.9 | Very high | 92.8 | Very high | 145 Ų | 145 | 60.6 Ų | 60.6 | 68% | 0.678 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -70.8 | -34.9 | -179.9 | -58.8 | -165.1 | 160.2 | 0 | 0 | 111.9 | D148 V152 R153 T154 | D148-E150 VanDerWaalsContact C-N 3.28Å; D148-E150 PolarHBondContact O-N 2.9Å; E150-V152 PolarHBondContact O-N 3.04Å; E150-R153 WeakPolarHBondContact O-CB 3.25Å; E150-R153 PolarHBondContact O-N 3.45Å; E150-T154 PolarHBondContact O-N 3.16Å |
| 151 | S | 93.1 | Very high | 92.8 | Very high | 8 Ų | 8 | 61.5 Ų | 61.5 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.7 | -27.9 | 176.4 | -51.2 | 0 | 0 | 0 | 0 | 113.1 | G122 R153 T154 A155 | G122-S151 WeakPolarHBondContact CA-OG 3.4Å; S151-R153 VanDerWaalsContact C-N 3.32Å; S151-R153 PolarHBondContact O-N 2.97Å; S151-T154 WeakPolarHBondContact CA-OG1 3.42Å; S151-T154 PolarHBondContact O-OG1 3.43Å; S151-A155 WeakPolarHBondContact O-CB 3.45Å; S151-A155 PolarHBondContact O-N 2.92Å |
| 152 | V | 92.9 | Very high | 92.8 | Very high | 11 Ų | 11 | 64.7 Ų | 64.7 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 173.5 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | R98 I100 F146 K149 E150 M156 A172 | R98-V152 VanDerWaalsContact C-CG2 3.42Å; R98-V152 WeakPolarHBondContact O-CG2 3.48Å; I100-V152 HydrophobicContact CG2-CB 4.25Å; I100-V152 HydrophobicContact CG2-CG1 3.81Å; I100-V152 HydrophobicContact CG2-CG2 4.32Å; F146-V152 HydrophobicContact CD2-CG2 4.22Å; K149-V152 WeakPolarHBondContact O-CB 3.45Å; K149-V152 PolarHBondContact O-N 3.46Å; E150-V152 PolarHBondContact O-N 3.04Å; V152-M156 HydrophobicContact CG1-SD 4.43Å; V152-M156 WeakPolarHBondContact O-CB 3.47Å; V152-M156 VanDerWaalsContact O-CG 3.24Å; V152-M156 WeakPolarHBondContact O-CG 3.36Å; V152-M156 PolarHBondContact O-N 3.48Å; V152-A172 HydrophobicContact CG1-CB 4.38Å |
| 153 | R | 92.3 | Very high | 92.7 | Very high | 190 Ų | 190 | 65.3 Ų | 65.3 | 72% | 0.717 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -70.3 | -41.3 | -178.5 | -62.4 | 179.8 | 179.4 | 166 | 0.2 | 111.5 | E150 S151 M156 A157 | E150-R153 WeakPolarHBondContact O-CB 3.25Å; E150-R153 PolarHBondContact O-N 3.45Å; S151-R153 VanDerWaalsContact C-N 3.32Å; S151-R153 PolarHBondContact O-N 2.97Å; R153-M156 PolarHBondContact O-N 2.98Å; R153-A157 PolarHBondContact O-N 3.15Å |
| 154 | T | 93 | Very high | 92.3 | Very high | 68 Ų | 68 | 67.7 Ų | 67.7 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 176.8 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | C121 E150 S151 M156 A157 | C121-T154 WeakPolarHBondContact CB-OG1 3.36Å; C121-T154 PolarHBondContact O-OG1 2.97Å; E150-T154 PolarHBondContact O-N 3.16Å; S151-T154 WeakPolarHBondContact CA-OG1 3.42Å; S151-T154 PolarHBondContact O-OG1 3.43Å; T154-M156 VanDerWaalsContact C-N 3.3Å; T154-M156 PolarHBondContact O-N 3.05Å; T154-A157 WeakPolarHBondContact O-CB 3.34Å; T154-A157 PolarHBondContact O-N 3.41Å |
| 155 | A | 92.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.4 | -33.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I100 F118 C121 F146 S151 A157 L158 V170 | I100-A155 HydrophobicContact CD1-CB 3.92Å; I100-A155 HydrophobicContact CG2-CB 4.24Å; F118-A155 HydrophobicContact CD1-CB 3.95Å; F118-A155 HydrophobicContact CE1-CB 4.18Å; C121-A155 HydrophobicContact CB-CB 4.13Å; F146-A155 HydrophobicContact CE2-CB 3.93Å; F146-A155 HydrophobicContact CZ-CB 3.89Å; S151-A155 WeakPolarHBondContact O-CB 3.45Å; S151-A155 PolarHBondContact O-N 2.92Å; A155-A157 PolarHBondContact O-N 3.19Å; A155-L158 PolarHBondContact O-N 3.09Å; A155-V170 WeakPolarHBondContact O-CG1 3.49Å |
| 156 | M | 92.8 | Very high | 92 | Very high | 87 Ų | 87 | 73.4 Ų | 73.4 | 43% | 0.429 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.1 | -23.3 | 172.2 | -79.7 | -178.2 | 66.2 | 0 | 0 | 113.3 | V152 R153 T154 L158 A172 | V152-M156 HydrophobicContact CG1-SD 4.43Å; V152-M156 WeakPolarHBondContact O-CB 3.47Å; V152-M156 VanDerWaalsContact O-CG 3.24Å; V152-M156 WeakPolarHBondContact O-CG 3.36Å; V152-M156 PolarHBondContact O-N 3.48Å; R153-M156 PolarHBondContact O-N 2.98Å; T154-M156 VanDerWaalsContact C-N 3.3Å; T154-M156 PolarHBondContact O-N 3.05Å; M156-L158 VanDerWaalsContact C-N 3.29Å; M156-A172 HydrophobicContact SD-CB 4.12Å |
| 157 | A | 92.1 | Very high | 92 | Very high | 75 Ų | 75 | 78.8 Ų | 78.8 | 62% | 0.62 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | R153 T154 A155 D159 | R153-A157 PolarHBondContact O-N 3.15Å; T154-A157 WeakPolarHBondContact O-CB 3.34Å; T154-A157 PolarHBondContact O-N 3.41Å; A155-A157 PolarHBondContact O-N 3.19Å; A157-D159 VanDerWaalsContact C-N 3.26Å |
| 158 | L | 89.4 | Confident | 92.1 | Very high | 61 Ų | 61 | 77.6 Ų | 77.6 | 32% | 0.319 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 22.6 | 170.2 | -64.3 | -171.1 | 0 | 0 | 0 | 112.2 | C121 A155 M156 S161 | C121-L158 WeakPolarHBondContact SG-CD1 3.38Å; A155-L158 PolarHBondContact O-N 3.09Å; M156-L158 VanDerWaalsContact C-N 3.29Å; L158-S161 WeakPolarHBondContact O-CB 3.37Å; L158-S161 PolarHBondContact O-N 3.43Å; L158-S161 PolarHBondContact O-OG 3.47Å |
| 159 | D | 92.9 | Very high | 92.2 | Very high | 83 Ų | 83 | 80 Ų | 80 | 44% | 0.444 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 145.2 | 171.3 | 69.9 | -56.5 | 0 | 0 | 0 | 110.8 | A157 S161 V170 | A157-D159 VanDerWaalsContact C-N 3.26Å; D159-S161 PolarHBondContact O-N 3.05Å; D159-V170 HydrophobicContact CB-CB 4.5Å |
| 160 | E | 92.3 | Very high | 92.4 | Very high | 128 Ų | 128 | 75.5 Ų | 75.5 | 60% | 0.598 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 11.2 | -179.6 | -51 | -173.4 | 164.2 | 0 | 0 | 115.3 | I168 | E160-I168 WeakPolarHBondContact CA-O 3.14Å; E160-I168 PolarHBondContact N-O 3.49Å |
| 161 | S | 91.8 | Very high | 92.4 | Very high | 25 Ų | 25 | 69.4 Ų | 69.4 | 18% | 0.175 | 36% | 0.36 | C | S | . | . | trans | -61.9 | 148.7 | 173.4 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | H117 L158 D159 F163 Q167 I168 | H117-S161 PolarHBondContact NE2-OG 3.38Å; L158-S161 WeakPolarHBondContact O-CB 3.37Å; L158-S161 PolarHBondContact O-N 3.43Å; L158-S161 PolarHBondContact O-OG 3.47Å; D159-S161 PolarHBondContact O-N 3.05Å; S161-F163 PolarHBondContact O-N 3.46Å; S161-Q167 WeakPolarHBondContact O-CA 3.36Å; S161-I168 WeakPolarHBondContact O-CG1 3.48Å; S161-I168 PolarHBondContact O-N 3.3Å; S161-I168 WeakPolarHBondContact OG-CD1 3.41Å; S161-I168 WeakPolarHBondContact OG-CG1 3.49Å | ||
| 162 | L | 92.4 | Very high | 92.4 | Very high | 126 Ų | 126 | 71.9 Ų | 71.9 | 66% | 0.66 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 117.5 | -179.6 | -74.1 | 165.6 | 0 | 0 | 0 | 110.5 | Q167 | L162-Q167 HydrophobicContact CD2-CG 3.86Å |
| 163 | F | 91.3 | Very high | 92.2 | Very high | 13 Ų | 13 | 74.3 Ų | 74.3 | 6% | 0.057 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 117.7 | 174.5 | -178.5 | -95.6 | 0 | 0 | 0 | 109.5 | V105 A109 E113 L114 H117 S161 G165 R166 I168 | V105-F163 HydrophobicContact CG1-CE1 4.25Å; A109-F163 HydrophobicContact CB-CE1 3.61Å; A109-F163 HydrophobicContact CB-CZ 3.99Å; E113-F163 HydrophobicContact CB-CE2 3.97Å; E113-F163 HydrophobicContact CB-CZ 3.78Å; L114-F163 HydrophobicContact CD2-CE1 4.4Å; L114-F163 HydrophobicContact CD2-CE2 4.24Å; L114-F163 HydrophobicContact CD2-CZ 4.08Å; L114-F163 HydrophobicContact CG-CZ 4.43Å; H117-F163 HydrophobicContact CB-CD2 4.43Å; S161-F163 PolarHBondContact O-N 3.46Å; F163-G165 PolarHBondContact O-N 3.1Å; F163-G165 VanDerWaalsContact O-N 3.08Å; F163-R166 PolarHBondContact N-O 3.41Å; F163-R166 PolarHBondContact O-N 3.4Å; F163-R166 VanDerWaalsContact O-O 3.08Å; F163-I168 HydrophobicContact CB-CD1 4.46Å; F163-I168 HydrophobicContact CB-CG2 3.64Å; F163-I168 HydrophobicContact CD1-CG2 4.4Å; F163-I168 HydrophobicContact CG-CG2 4.28Å |
| 164 | R | 87.9 | Confident | 91.7 | Very high | 127 Ų | 127 | 71.7 Ų | 71.7 | 48% | 0.479 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 34.8 | -177.3 | -61.1 | -177.6 | 66.4 | 154.6 | -7.3 | 114 | D106 G108 E113 | D106-R164 HydrophobicContact CB-CB 4.32Å; D106-R164 IonicContact OD2-CZ 3.16Å; D106-R164 IonicContact OD2-NE 3.99Å; D106-R164 IonicContact OD2-NH2 3.71Å; G108-R164 PolarHBondContact O-NH1 3.47Å; E113-R164 IonicContact OE1-CZ 3.24Å; E113-R164 IonicContact OE1-NH1 3.38Å; E113-R164 PolarHBondContact OE1-NH1 3.36Å; E113-R164 VanDerWaalsContact OE1-NH1 3.16Å; E113-R164 WeakPolarHBondContact OE2-CD 3.41Å; E113-R164 IonicContact OE2-CZ 2.6Å; E113-R164 IonicContact OE2-NE 2.76Å; E113-R164 IonicContact OE2-NH1 3.44Å; E113-R164 PolarHBondContact OE2-NH1 3.24Å |
| 165 | G | 89.9 | Confident | 90.9 | Very high | 71 Ų | 71 | 70.4 Ų | 70.4 | 73% | 0.732 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 10.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F163 | F163-G165 PolarHBondContact O-N 3.1Å; F163-G165 VanDerWaalsContact O-N 3.08Å |
| 166 | R | 91.5 | Very high | 89.8 | Confident | 94 Ų | 94 | 76.6 Ų | 76.6 | 36% | 0.355 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.7 | 173.4 | -61.7 | -176.3 | -178.1 | 176.5 | 8 | 110.3 | D106 F163 | D106-R166 IonicContact OD1-CZ 3.81Å; D106-R166 IonicContact OD1-NE 2.82Å; D106-R166 PolarHBondContact OD1-NE 2.99Å; D106-R166 IonicContact OD1-NH1 3.8Å; D106-R166 PolarHBondContact OD1-NH1 2.91Å; D106-R166 IonicContact OD1-NH2 3.87Å; D106-R166 PolarHBondContact OD1-NH2 3.35Å; D106-R166 VanDerWaalsContact OD1-NH2 3.15Å; F163-R166 PolarHBondContact N-O 3.41Å; F163-R166 PolarHBondContact O-N 3.4Å; F163-R166 VanDerWaalsContact O-O 3.08Å |
| 167 | Q | 94.6 | Very high | 88.4 | Confident | 113 Ų | 113 | 79 Ų | 79 | 53% | 0.528 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 121.9 | 173.4 | -69.4 | 178.9 | -40.4 | 0 | 0 | 109.8 | N104 S161 L162 | N104-Q167 PolarHBondContact ND2-O 3.24Å; S161-Q167 WeakPolarHBondContact O-CA 3.36Å; L162-Q167 HydrophobicContact CD2-CG 3.86Å |
| 168 | I | 95.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 81.1 Ų | 81.1 | 1% | 0.005 | 42% | 0.417 | C | S | . | . | trans | -87.3 | 149.3 | 177.8 | 57.2 | 170.1 | 0 | 0 | 0 | 110.9 | V102 G103 F118 E160 S161 F163 V170 | V102-I168 HydrophobicContact CG1-CB 4.14Å; V102-I168 HydrophobicContact CG1-CD1 4.06Å; V102-I168 HydrophobicContact CG1-CG2 4.48Å; G103-I168 WeakPolarHBondContact O-CA 3.42Å; F118-I168 HydrophobicContact CE2-CD1 4.13Å; F118-I168 HydrophobicContact CZ-CD1 3.72Å; E160-I168 WeakPolarHBondContact CA-O 3.14Å; E160-I168 PolarHBondContact N-O 3.49Å; S161-I168 WeakPolarHBondContact O-CG1 3.48Å; S161-I168 PolarHBondContact O-N 3.3Å; S161-I168 WeakPolarHBondContact OG-CD1 3.41Å; S161-I168 WeakPolarHBondContact OG-CG1 3.49Å; F163-I168 HydrophobicContact CB-CD1 4.46Å; F163-I168 HydrophobicContact CB-CG2 3.64Å; F163-I168 HydrophobicContact CD1-CG2 4.4Å; F163-I168 HydrophobicContact CG-CG2 4.28Å; I168-V170 HydrophobicContact CD1-CG2 4.16Å; I168-V170 HydrophobicContact CG1-CG2 4.41Å | ||
| 169 | K | 94.9 | Very high | 85.5 | Confident | 146 Ų | 146 | 82 Ų | 82 | 64% | 0.635 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 116.4 | 174.8 | -177.2 | 169.9 | -176.1 | 165.2 | 0 | 109.7 | V102 G103 | V102-K169 CarbonylContact C-O 3.59Å; V102-K169 WeakPolarHBondContact CA-O 3.14Å; G103-K169 PolarHBondContact N-O 3.25Å; G103-K169 PolarHBondContact O-N 3.05Å |
| 170 | V | 94.8 | Very high | 84 | Confident | 13 Ų | 13 | 83.6 Ų | 83.6 | 8% | 0.079 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 140.8 | 178 | -171.1 | 0 | 0 | 0 | 0 | 109.9 | I100 Y101 F118 A155 D159 I168 | I100-V170 HydrophobicContact CB-CG1 4.3Å; I100-V170 HydrophobicContact CD1-CG1 3.96Å; I100-V170 HydrophobicContact CG2-CG1 4.48Å; Y101-V170 CarbonylContact O-C 3.57Å; Y101-V170 WeakPolarHBondContact O-CA 3.23Å; F118-V170 HydrophobicContact CE1-CG1 4.38Å; F118-V170 HydrophobicContact CE1-CG2 3.95Å; F118-V170 HydrophobicContact CZ-CG2 3.73Å; A155-V170 WeakPolarHBondContact O-CG1 3.49Å; D159-V170 HydrophobicContact CB-CB 4.5Å; I168-V170 HydrophobicContact CD1-CG2 4.16Å; I168-V170 HydrophobicContact CG1-CG2 4.41Å |
| 171 | G | 93.3 | Very high | 82.3 | Confident | 18 Ų | 18 | 79.7 Ų | 79.7 | 19% | 0.186 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 161.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I100 Y101 | I100-G171 CarbonylContact C-O 3.54Å; I100-G171 WeakPolarHBondContact CA-O 3.34Å; Y101-G171 PolarHBondContact N-O 3.44Å; Y101-G171 PolarHBondContact O-N 3.01Å |
| 172 | A | 91.9 | Very high | 80.6 | Confident | 60 Ų | 60 | 81.2 Ų | 81.2 | 50% | 0.496 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 139.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V152 M156 R174 | V152-A172 HydrophobicContact CG1-CB 4.38Å; M156-A172 HydrophobicContact SD-CB 4.12Å; A172-R174 PolarHBondContact O-N 3.4Å |
| 173 | K | 90 | Very high | 79 | Confident | 61 Ų | 61 | 81.3 Ų | 81.3 | 27% | 0.265 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 130.4 | 175.6 | -174.1 | -177.1 | 178.7 | -163.8 | 0 | 109.2 | D96 S99 Y143 T175 | D96-K173 HydrophobicContact CB-CD 4.48Å; D96-K173 WeakPolarHBondContact OD1-CE 3.4Å; D96-K173 IonicContact OD1-NZ 4Å; D96-K173 PolarHBondContact OD1-NZ 3.43Å; S99-K173 VanDerWaalsContact CB-CD 3.44Å; S99-K173 VanDerWaalsContact O-CB 3.25Å; S99-K173 WeakPolarHBondContact O-CB 3.34Å; S99-K173 PolarHBondContact O-N 3.46Å; Y143-K173 HydrophobicContact CD1-CD 3.97Å; Y143-K173 HydrophobicContact CD1-CG 3.95Å; Y143-K173 HydrophobicContact CE1-CD 4.43Å; Y143-K173 HydrophobicContact CE1-CG 4.05Å; K173-T175 PolarHBondContact O-N 3.27Å |
| 174 | R | 80.8 | Confident | 77.3 | Confident | 135 Ų | 135 | 87 Ų | 87 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 119.3 | 175.7 | -173.5 | 171.3 | -179.4 | -90 | -14.4 | 109.5 | A172 N176 I180 T182 | A172-R174 PolarHBondContact O-N 3.4Å; R174-N176 PolarHBondContact O-N 2.76Å; R174-I180 PolarHBondContact NH2-O 3.28Å; R174-T182 PolarHBondContact NE-OG1 3.41Å; R174-T182 VanDerWaalsContact NE-OG1 3.15Å; R174-T182 PolarHBondContact NH1-OG1 3.19Å; R174-T182 VanDerWaalsContact NH2-CG2 3.3Å; R174-T182 PolarHBondContact NH2-OG1 3.08Å |
| 175 | T | 76.8 | Confident | 75.8 | Confident | 42 Ų | 42 | 90.4 Ų | 90.4 | 26% | 0.258 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 131.2 | 171.4 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | D96 K173 R177 | D96-T175 WeakPolarHBondContact OD2-CA 3.43Å; D96-T175 WeakPolarHBondContact OD2-CB 3.36Å; D96-T175 PolarHBondContact OD2-OG1 2.85Å; D96-T175 VanDerWaalsContact OD2-OG1 3.09Å; K173-T175 PolarHBondContact O-N 3.27Å; T175-R177 HydrophobicContact CG2-CG 4.28Å; T175-R177 PolarHBondContact O-N 3.31Å |
| 176 | N | 68.6 | Low | 73.9 | Confident | 129 Ų | 129 | 90.4 Ų | 90.4 | 69% | 0.69 | 49% | 0.493 | S | S | * | . | trans | -89.2 | 85.3 | 176.2 | -169.4 | -6.8 | 0 | 0 | 0 | 108.8 | R174 P178 | R174-N176 PolarHBondContact O-N 2.76Å; N176-P178 WeakPolarHBondContact O-CD 3.37Å | ||
| 177 | R | 64.5 | Low | 71.4 | Confident | 139 Ų | 139 | 94.7 Ų | 94.7 | 53% | 0.525 | 52% | 0.515 | S | S | . | . | trans | -70.9 | 117.3 | 169.8 | -71 | -172.4 | -178.6 | 166.3 | 0.4 | 108.9 | T175 G179 I180 | T175-R177 HydrophobicContact CG2-CG 4.28Å; T175-R177 PolarHBondContact O-N 3.31Å; R177-G179 PolarHBondContact O-N 2.94Å; R177-G179 VanDerWaalsContact O-N 3.15Å; R177-I180 PolarHBondContact O-N 3.45Å | ||
| 178 | P | 58.3 | Low | 69.2 | Low | 118 Ų | 118 | 95.1 Ų | 95.1 | 77% | 0.766 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 121.6 | 174.7 | 25.4 | -32 | 0 | 0 | 0 | 108.7 | N176 | N176-P178 WeakPolarHBondContact O-CD 3.37Š|
| 179 | G | 62.2 | Low | 67.1 | Low | 81 Ų | 81 | 106.2 Ų | 106.2 | 84% | 0.835 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.6 | -13.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | R177 | R177-G179 PolarHBondContact O-N 2.94Å; R177-G179 VanDerWaalsContact O-N 3.15Å |
| 180 | I | 60.6 | Low | 64.9 | Low | 116 Ų | 116 | 102.5 Ų | 102.5 | 60% | 0.595 | 57% | 0.573 | S | S | * | * | trans | -129.7 | 72.6 | 176.8 | -52.8 | 171.3 | 0 | 0 | 0 | 109.9 | R174 R177 T182 | R174-I180 PolarHBondContact NH2-O 3.28Å; R177-I180 PolarHBondContact O-N 3.45Å; I180-T182 PolarHBondContact O-N 2.95Å | ||
| 181 | S | 57.9 | Low | 62.6 | Low | 45 Ų | 45 | 112.2 Ų | 112.2 | 32% | 0.315 | 61% | 0.608 | S | S | . | * | trans | -67.6 | 123 | 167.5 | 174.3 | 0 | 0 | 0 | 0 | 109.1 | T183 D184 | S181-T183 PolarHBondContact O-N 3.28Å; S181-T183 VanDerWaalsContact O-N 3.12Å; S181-T183 WeakPolarHBondContact OG-CB 3.35Å; S181-T183 PolarHBondContact OG-N 3.15Å; S181-T183 VanDerWaalsContact OG-N 3.08Å; S181-T183 PolarHBondContact OG-OG1 2.99Å; S181-D184 WeakPolarHBondContact CB-OD2 3.46Å; S181-D184 WeakPolarHBondContact O-CA 3.33Å; S181-D184 PolarHBondContact O-N 3.15Å | ||
| 182 | T | 56.3 | Low | 60.1 | Low | 58 Ų | 58 | 120.5 Ų | 120.5 | 36% | 0.356 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -66.6 | -3.4 | 165.5 | 32.7 | 0 | 0 | 0 | 0 | 112.6 | R174 I180 R185 | R174-T182 PolarHBondContact NE-OG1 3.41Å; R174-T182 VanDerWaalsContact NE-OG1 3.15Å; R174-T182 PolarHBondContact NH1-OG1 3.19Å; R174-T182 VanDerWaalsContact NH2-CG2 3.3Å; R174-T182 PolarHBondContact NH2-OG1 3.08Å; I180-T182 PolarHBondContact O-N 2.95Å; T182-R185 WeakPolarHBondContact O-CG 3.31Å |
| 183 | T | 58.7 | Low | 57.8 | Low | 128 Ų | 128 | 126.5 Ų | 126.5 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -75 | -20.5 | 167.8 | -41.1 | 0 | 0 | 0 | 0 | 110.4 | S181 R185 | S181-T183 PolarHBondContact O-N 3.28Å; S181-T183 VanDerWaalsContact O-N 3.12Å; S181-T183 WeakPolarHBondContact OG-CB 3.35Å; S181-T183 PolarHBondContact OG-N 3.15Å; S181-T183 VanDerWaalsContact OG-N 3.08Å; S181-T183 PolarHBondContact OG-OG1 2.99Å; T183-R185 VanDerWaalsContact C-N 3.3Å; T183-R185 PolarHBondContact O-N 2.93Å |
| 184 | D | 55 | Low | 55.8 | Low | 133 Ų | 133 | 129.4 Ų | 129.4 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -94.8 | 47.6 | 168.4 | -64 | -72.3 | 0 | 0 | 0 | 110.8 | S181 G186 | S181-D184 WeakPolarHBondContact CB-OD2 3.46Å; S181-D184 WeakPolarHBondContact O-CA 3.33Å; S181-D184 PolarHBondContact O-N 3.15Å; D184-G186 PolarHBondContact O-N 3.29Å |
| 185 | R | 55.4 | Low | 54 | Low | 198 Ų | 198 | 133.2 Ų | 133.2 | 75% | 0.747 | 69% | 0.691 | S | S | * | * | trans | -61.8 | 106.6 | 161.8 | -82.8 | 177.4 | -143.1 | 160.9 | 1.8 | 107.4 | T182 T183 F187 | T182-R185 WeakPolarHBondContact O-CG 3.31Å; T183-R185 VanDerWaalsContact C-N 3.3Å; T183-R185 PolarHBondContact O-N 2.93Å; R185-F187 PolarHBondContact O-N 3.12Å | ||
| 186 | G | 51 | Low | 52.2 | Low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | trans | -44.5 | 91.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D184 | D184-G186 PolarHBondContact O-N 3.29Š| ||
| 187 | F | 39.8 | Very low | 50.8 | Low | 184 Ų | 184 | 132.8 Ų | 132.8 | 81% | 0.807 | 73% | 0.726 | S | S | * | * | trans | -111.6 | 102.5 | 141.2 | -85.9 | -85.4 | 0 | 0 | 0 | 106.5 | R185 R189 | R185-F187 PolarHBondContact O-N 3.12Å; F187-R189 PolarHBondContact O-N 3.39Å | ||
| 188 | P | 48.1 | Very low | 49.6 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | trans | -66.4 | 82 | 157.1 | 29.1 | -29.4 | 0 | 0 | 0 | 106.1 | G190 | P188-G190 PolarHBondContact O-N 3.03Š| ||
| 189 | R | 50.2 | Low | 48.5 | Very low | 233 Ų | 233 | 128.3 Ų | 128.3 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | trans | -58.6 | 104 | 158.8 | -87.1 | -165.2 | 174.5 | 132.1 | 0.7 | 104.7 | F187 R191 | F187-R189 PolarHBondContact O-N 3.39Å; R189-R191 PolarHBondContact O-N 3.06Å | ||
| 190 | G | 49.9 | Very low | 47.3 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | -37.6 | 101.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P188 F192 | P188-G190 PolarHBondContact O-N 3.03Å; G190-F192 PolarHBondContact O-N 3.12Å | ||
| 191 | R | 45.9 | Very low | 46.1 | Very low | 217 Ų | 217 | 133.4 Ų | 133.4 | 82% | 0.819 | 75% | 0.753 | S | S | * | * | trans | -89.6 | 46.6 | 154.8 | -130.8 | -178.8 | -155.6 | -138.5 | 4.4 | 107.8 | R189 R193 | R189-R191 PolarHBondContact O-N 3.06Å; R191-R193 PolarHBondContact O-N 3.16Å | ||
| 192 | F | 39.7 | Very low | 45.3 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | -62.3 | 94.5 | 146.5 | -114.4 | -91.8 | 0 | 0 | 0 | 104.7 | G190 S194 | G190-F192 PolarHBondContact O-N 3.12Å; F192-S194 PolarHBondContact O-N 2.98Å | ||
| 193 | R | 43.8 | Very low | 44.5 | Very low | 186 Ų | 186 | 139 Ų | 139 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -58.2 | 92.6 | 155 | -72.5 | -166.1 | -173.2 | -164.7 | 4.8 | 105.5 | R191 R195 | R191-R193 PolarHBondContact O-N 3.16Å; R193-R195 PolarHBondContact O-N 2.79Å | ||
| 194 | S | 47.9 | Very low | 43.4 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -62.8 | 83.9 | 151.4 | -74.5 | 0 | 0 | 0 | 0 | 106.7 | F192 | F192-S194 PolarHBondContact O-N 2.98Š| ||
| 195 | R | 44 | Very low | 42.5 | Very low | 215 Ų | 215 | 142.7 Ų | 142.7 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -135.3 | 91.4 | 165.7 | -176.1 | 168.4 | 178.8 | 164.1 | -1.9 | 107.5 | R193 | R193-R195 PolarHBondContact O-N 2.79Š| ||
| 196 | G | 39.6 | Very low | 41.9 | Very low | 84 Ų | 84 | 144 Ų | 144 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | 93.1 | 131.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 197 | G | 39.1 | Very low | 41.2 | Very low | 79 Ų | 79 | 151.1 Ų | 151.1 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | 116.9 | 85.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 198 | G | 38 | Very low | 40.9 | Very low | 84 Ų | 84 | 152.4 Ų | 152.4 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | cis | 74 | 85.2 | 35.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 199 | G | 36.3 | Very low | 40.5 | Very low | 78 Ų | 78 | 153 Ų | 153 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 107.7 | 123.2 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 200 | S | 36.4 | Very low | 39.7 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | 101 | 96.7 | 134.3 | -125.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 201 | F | 34.9 | Very low | 39.2 | Very low | 197 Ų | 197 | 153.1 Ų | 153.1 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | 28.5 | 107.8 | 126.9 | -60 | -85.8 | 0 | 0 | 0 | 117.7 | |||||
| 202 | S | 41.6 | Very low | 39.2 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -152.1 | 99.9 | 132.8 | -162.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 203 | S | 39.2 | Very low | 39.5 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -7.3 | 152.1 | 144.3 | -49.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 204 | R | 36.4 | Very low | 40 | Very low | 244 Ų | 244 | 141.5 Ų | 141.5 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | 86.9 | 113.7 | 172.3 | -124.9 | 81.9 | -162.7 | 176.1 | 5.3 | 112.9 | ||||
| 205 | A | 36 | Very low | 39.6 | Very low | 94 Ų | 94 | 148.1 Ų | 148.1 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | cis | -154.5 | 137.3 | 25.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 206 | R | 41.8 | Very low | 39.2 | Very low | 226 Ų | 226 | 141.3 Ų | 141.3 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -75.7 | 145.7 | 151.9 | -66.5 | -155.4 | -179.6 | -168.2 | 3.3 | 108.1 | ||||
| 207 | Y | 36.8 | Very low | 39.1 | Very low | 218 Ų | 218 | 149.8 Ų | 149.8 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | -170 | 129.8 | 119.6 | -92 | -69.3 | 0 | 0 | 0 | 110.1 | |||||
| 208 | Y | 34.4 | Very low | 38.8 | Very low | 211 Ų | 211 | 149.6 Ų | 149.6 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | 61.8 | 98.7 | 161.4 | -93.2 | -93.5 | 0 | 0 | 0 | 121.4 | ||||
| 209 | T | 38.3 | Very low | 39.3 | Very low | 136 Ų | 136 | 157.1 Ų | 157.1 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | 177.4 | 129.2 | 111.6 | -92.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 210 | G | 34 | Very low | 39.3 | Very low | 65 Ų | 65 | 157.6 Ų | 157.6 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | trans | 80.4 | 99.6 | 138.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | T212 | G210-T212 PolarHBondContact O-N 3.19Š| ||
| 211 | Y | 39.4 | Very low | 39.6 | Very low | 239 Ų | 239 | 161.9 Ų | 161.9 | 94% | 0.937 | 82% | 0.824 | S | S | * | * | trans | -45.2 | 126.8 | 154.7 | -108.4 | -108.8 | 0 | 0 | 0 | 112 | ||||
| 212 | T | 46 | Very low | 40 | Very low | 127 Ų | 127 | 164.2 Ų | 164.2 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | trans | -141.6 | 123.6 | 151.1 | -47.2 | 0 | 0 | 0 | 0 | 108.3 | G210 | G210-T212 PolarHBondContact O-N 3.19Š| ||
| 213 | P | 44.7 | Very low | 39.7 | Very low | 107 Ų | 107 | 161.8 Ų | 161.8 | 70% | 0.695 | 82% | 0.821 | S | S | * | * | trans | -75.6 | 155.3 | -169.9 | 30.5 | -34.6 | 0 | 0 | 0 | 112.6 | ||||
| 214 | P | 55.4 | Low | 39.8 | Very low | 117 Ų | 117 | 168.4 Ų | 168.4 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | trans | -99.2 | 108.1 | -178.2 | 34.6 | -26.9 | 0 | 0 | 0 | 111.9 | ||||
| 215 | R | 39.6 | Very low | 39.7 | Very low | 261 Ų | 261 | 160.5 Ų | 160.5 | 99% | 0.985 | 82% | 0.824 | S | S | * | * | trans | -161.4 | 134.9 | 156.5 | -62.2 | -165.7 | 179 | 127.2 | 0.8 | 106.3 | ||||
| 216 | G | 35.4 | Very low | 40.3 | Very low | 71 Ų | 71 | 166.6 Ų | 166.6 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | cis | 149.3 | 143 | 12.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 217 | R | 38.3 | Very low | 40.2 | Very low | 263 Ų | 263 | 162 Ų | 162 | 99% | 0.992 | 82% | 0.824 | S | S | * | * | trans | 87.2 | 119.1 | 168.8 | -58.5 | -130.2 | -172.8 | -146.8 | 4.4 | 119 | ||||
| 218 | G | 31.4 | Very low | 40.3 | Very low | 75 Ų | 75 | 157.3 Ų | 157.3 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | 172 | 53 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A220 | G218-A220 PolarHBondContact O-N 2.84Š| ||
| 219 | R | 49.5 | Very low | 40.5 | Very low | 241 Ų | 241 | 152 Ų | 152 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -63.7 | 104.5 | 160.8 | -90.3 | -172.6 | 178.8 | -108.2 | 3.5 | 107 | ||||
| 220 | A | 36.7 | Very low | 40.9 | Very low | 89 Ų | 89 | 156.5 Ų | 156.5 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -114.5 | 107.8 | 162 | 0 | 0 | 0 | 0 | 0 | 107.8 | G218 R222 | G218-A220 PolarHBondContact O-N 2.84Å; A220-R222 PolarHBondContact O-N 2.76Å | ||
| 221 | F | 41.7 | Very low | 41.2 | Very low | 196 Ų | 196 | 162 Ų | 162 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -53 | 115.1 | 160.9 | -103.9 | -105.7 | 0 | 0 | 0 | 108.4 | ||||
| 222 | R | 44.2 | Very low | 41.2 | Very low | 247 Ų | 247 | 158.2 Ų | 158.2 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | trans | -118.6 | 91.6 | 158.2 | -117.8 | -169.8 | -165 | -164.5 | 6.2 | 109.4 | A220 | A220-R222 PolarHBondContact O-N 2.76Š| ||
| 223 | G | 34.3 | Very low | 40.8 | Very low | 67 Ų | 67 | 160.5 Ų | 160.5 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | 40.5 | 98 | 130.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | G225 | G223-G225 PolarHBondContact O-N 2.83Š| ||
| 224 | R | 41.1 | Very low | 40.7 | Very low | 243 Ų | 243 | 162.7 Ų | 162.7 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -49.9 | 100.2 | 149.5 | -167.6 | 178.8 | -168.9 | -117.1 | 4.2 | 108.9 | R226 | R224-R226 PolarHBondContact O-N 3.36Å; R224-R226 VanDerWaalsContact O-N 3.1Å | ||
| 225 | G | 35.8 | Very low | 40.5 | Very low | 77 Ų | 77 | 167 Ų | 167 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -64.9 | 105.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G223 | G223-G225 PolarHBondContact O-N 2.83Š| ||
| 226 | R | 47 | Very low | 40.6 | Very low | 223 Ų | 223 | 166.3 Ų | 166.3 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | trans | -66.6 | 136.8 | 172.4 | -135.2 | -176 | -71.7 | -126.8 | 3.5 | 108.3 | R224 T228 | R224-R226 PolarHBondContact O-N 3.36Å; R224-R226 VanDerWaalsContact O-N 3.1Å; R226-T228 PolarHBondContact O-N 2.89Å | ||
| 227 | T | 39.8 | Very low | 41.2 | Very low | 129 Ų | 129 | 169.7 Ų | 169.7 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | trans | -48.4 | 123.4 | 169.1 | 48.7 | 0 | 0 | 0 | 0 | 111.3 | S229 | T227-S229 PolarHBondContact O-N 2.85Š| ||
| 228 | T | 38.6 | Very low | 41.7 | Very low | 120 Ų | 120 | 163.3 Ų | 163.3 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -80.8 | 96.4 | 167.9 | -47.5 | 0 | 0 | 0 | 0 | 108.1 | R226 W230 | R226-T228 PolarHBondContact O-N 2.89Å; T228-W230 PolarHBondContact O-N 2.81Å | ||
| 229 | S | 38.9 | Very low | 43 | Very low | 100 Ų | 100 | 166.4 Ų | 166.4 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | -73.9 | 108.7 | 162.9 | 58.9 | 0 | 0 | 0 | 0 | 108 | T227 F231 | T227-S229 PolarHBondContact O-N 2.85Å; S229-F231 VanDerWaalsContact C-N 3.26Å; S229-F231 PolarHBondContact O-N 3.06Å | ||
| 230 | W | 46.9 | Very low | 43.6 | Very low | 230 Ų | 230 | 160.3 Ų | 160.3 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | trans | -73 | 86.7 | 162.1 | -80.9 | 70.4 | 0 | 0 | 0 | 107.5 | T228 | T228-W230 PolarHBondContact O-N 2.81Š| ||
| 231 | F | 39.6 | Very low | 45 | Very low | 181 Ų | 181 | 161.8 Ų | 161.8 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -178.3 | 147.2 | 151.1 | -120.1 | -97.6 | 0 | 0 | 0 | 108.7 | S229 | S229-F231 VanDerWaalsContact C-N 3.26Å; S229-F231 PolarHBondContact O-N 3.06Å | ||
| 232 | Q | 39.3 | Very low | 45.4 | Very low | 158 Ų | 158 | 160.6 Ų | 160.6 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | trans | 85 | 94.4 | 177.3 | -113.6 | 93.4 | 62.3 | 0 | 0 | 117.3 | ||||
| 233 | D | 39.4 | Very low | 46.2 | Very low | 176 Ų | 176 | 154.9 Ų | 154.9 | 94% | 0.941 | 80% | 0.796 | S | S | * | * | -155.5 | 77.4 | 129.9 | -91.4 | -44.8 | 0 | 0 | 0 | 108.7 | |||||
| 234 | Q | 42.3 | Very low | 47.8 | Very low | 153 Ų | 153 | 156 Ų | 156 | 72% | 0.715 | 80% | 0.799 | S | S | * | * | trans | -101.2 | 142.1 | 157.2 | -160.3 | 169.5 | 8.7 | 0 | 0 | 105.7 | ||||
| 235 | W | 50.1 | Low | 48.8 | Very low | 207 Ų | 207 | 150.5 Ų | 150.5 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | 90.3 | 86.2 | 177.5 | -47.3 | 100.5 | 0 | 0 | 0 | 117.4 | L237 | W235-L237 HydrophobicContact CE3-CD1 4.36Š| ||
| 236 | R | 42.5 | Very low | 50.4 | Low | 247 Ų | 247 | 151.1 Ų | 151.1 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | -161.4 | 122.5 | 112.8 | -105 | 176 | -163 | -76.3 | -1.6 | 111.8 | |||||
| 237 | L | 47 | Very low | 51.4 | Low | 141 Ų | 141 | 145.9 Ų | 145.9 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -68.3 | 150.8 | 172.3 | -62.8 | 91.6 | 0 | 0 | 0 | 111.1 | W235 | W235-L237 HydrophobicContact CE3-CD1 4.36Š| ||
| 238 | T | 50.7 | Low | 52.8 | Low | 129 Ų | 129 | 146.1 Ų | 146.1 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | 159.5 | 106.3 | 120 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 239 | T | 57.5 | Low | 53.8 | Low | 140 Ų | 140 | 146.2 Ų | 146.2 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -165.1 | 139 | 139.6 | 0.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 240 | P | 62 | Low | 54.6 | Low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | trans | -84 | 168.2 | -158.8 | 34 | -35.4 | 0 | 0 | 0 | 115.2 | ||||
| 241 | P | 66.1 | Low | 54.7 | Low | 120 Ų | 120 | 143.2 Ų | 143.2 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -82.9 | 139.2 | -172.6 | 33.1 | -34.6 | 0 | 0 | 0 | 113.1 | ||||
| 242 | Q | 51.3 | Low | 54.9 | Low | 171 Ų | 171 | 139.1 Ų | 139.1 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -133.3 | 105.2 | 168.4 | -75.8 | -73.1 | 18.5 | 0 | 0 | 111.2 | ||||
| 243 | V | 61.1 | Low | 55.1 | Low | 126 Ų | 126 | 136 Ų | 136 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | 48.2 | 113.4 | 138.8 | -175.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 244 | A | 66.6 | Low | 55.5 | Low | 91 Ų | 91 | 132.8 Ų | 132.8 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 144.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 245 | P | 62.3 | Low | 56 | Low | 127 Ų | 127 | 133.3 Ų | 133.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -89 | 138 | 158.3 | 31.4 | -29.4 | 0 | 0 | 0 | 112 | ||
| 246 | A | 69.1 | Low | 56 | Low | 90 Ų | 90 | 127.8 Ų | 127.8 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 161.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 247 | P | 68.8 | Low | 56.2 | Low | 113 Ų | 113 | 124.3 Ų | 124.3 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 145.6 | 170.3 | 31.7 | -34.2 | 0 | 0 | 0 | 111.8 | T249 | P247-T249 PolarHBondContact O-N 3.13Š|
| 248 | P | 67.8 | Low | 56.3 | Low | 134 Ų | 134 | 123.3 Ų | 123.3 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 127.2 | 174.2 | 28.8 | -32 | 0 | 0 | 0 | 111.5 | ||
| 249 | T | 59.7 | Low | 56.2 | Low | 122 Ų | 122 | 121.7 Ų | 121.7 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 143.1 | 172.1 | 43.6 | 0 | 0 | 0 | 0 | 112.4 | P247 | P247-T249 PolarHBondContact O-N 3.13Š|
| 250 | V | 57.1 | Low | 56.3 | Low | 139 Ų | 139 | 120.9 Ų | 120.9 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | trans | 70.9 | 121.4 | 154.4 | -61.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 251 | S | 47.7 | Very low | 55.4 | Low | 129 Ų | 129 | 118.5 Ų | 118.5 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | -144.9 | 126.1 | 119 | -151.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 252 | A | 43.9 | Very low | 54.9 | Low | 94 Ų | 94 | 120 Ų | 120 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -99.8 | 134.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 253 | A | 44.3 | Very low | 54.6 | Low | 92 Ų | 92 | 119.3 Ų | 119.3 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -159.7 | 95.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 254 | S | 47.8 | Very low | 54.7 | Low | 109 Ų | 109 | 118.8 Ų | 118.8 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | 61.9 | 93.4 | 83.9 | 68.7 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 255 | L | 52.5 | Low | 54.3 | Low | 165 Ų | 165 | 122.7 Ų | 122.7 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -164.7 | 95.1 | 147.9 | -77.7 | -170.5 | 0 | 0 | 0 | 106.7 | ||||
| 256 | S | 49.7 | Very low | 54.3 | Low | 90 Ų | 90 | 121.1 Ų | 121.1 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | 87.8 | 109.4 | 82.6 | 69.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 257 | L | 48 | Very low | 53.1 | Low | 174 Ų | 174 | 123.8 Ų | 123.8 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | 49.2 | 121.9 | 146.4 | -70.1 | 93.6 | 0 | 0 | 0 | 120.3 | ||||
| 258 | S | 49.1 | Very low | 51.7 | Low | 120 Ų | 120 | 125.6 Ų | 125.6 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | 169.5 | 105.8 | 105.5 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 259 | A | 48.8 | Very low | 50.4 | Low | 95 Ų | 95 | 123.8 Ų | 123.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -127.7 | 138.6 | 147.9 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 260 | P | 58.1 | Low | 49.5 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | -146 | 177.3 | 83.3 | 36.2 | -14.9 | 0 | 0 | 0 | 110.4 | |||||
| 261 | A | 43.9 | Very low | 48.7 | Very low | 63 Ų | 63 | 129.1 Ų | 129.1 | 52% | 0.521 | 76% | 0.764 | S | S | . | * | cis | 176.1 | 159.1 | 49.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 262 | M | 55 | Low | 48.1 | Very low | 152 Ų | 152 | 126.2 Ų | 126.2 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | 38.5 | 133.8 | 143.9 | 66.3 | -141.4 | 171.1 | 0 | 0 | 118.5 | ||||
| 263 | H | 46.3 | Very low | 47.8 | Very low | 156 Ų | 156 | 126 Ų | 126 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | -157.3 | 123.4 | 78.4 | -81.3 | 80.1 | 0 | 0 | 0 | 110.5 | |||||
| 264 | T | 63.1 | Low | 47.4 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | -59.1 | 149.2 | 147.9 | 41.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 265 | H | 57.9 | Low | 47.1 | Very low | 173 Ų | 173 | 124.4 Ų | 124.4 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | -165.8 | 158.3 | 124.5 | -85.9 | -53 | 0 | 0 | 0 | 111.2 | |||||
| 266 | P | 62 | Low | 46.5 | Very low | 94 Ų | 94 | 120.8 Ų | 120.8 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | trans | -119 | 173.6 | -161 | 42.6 | -28.3 | 0 | 0 | 0 | 114.1 | ||||
| 267 | I | 43.7 | Very low | 46.2 | Very low | 145 Ų | 145 | 120.2 Ų | 120.2 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | 85.3 | 126 | 136.3 | -81.5 | 162.4 | 0 | 0 | 0 | 121 | ||||
| 268 | L | 39.6 | Very low | 46.2 | Very low | 151 Ų | 151 | 119.9 Ų | 119.9 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 99.3 | 130.6 | 137.9 | -95.3 | 160.1 | 0 | 0 | 0 | 122.6 | ||||
| 269 | S | 40 | Very low | 46.1 | Very low | 97 Ų | 97 | 117.4 Ų | 117.4 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | 87.8 | 142.9 | 146.1 | -51.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 270 | V | 41.6 | Very low | 46.2 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | cis | 179.3 | 163.7 | -8.7 | 58.3 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 271 | W | 38.9 | Very low | 45.7 | Very low | 252 Ų | 252 | 121.9 Ų | 121.9 | 96% | 0.955 | 77% | 0.767 | S | S | * | * | trans | 75.1 | 136.6 | 169.2 | -87.9 | -8.9 | 0 | 0 | 0 | 117.1 | ||||
| 272 | G | 36.6 | Very low | 46 | Very low | 67 Ų | 67 | 130.3 Ų | 130.3 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | cis | 154.4 | 142.3 | 6.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 273 | G | 37.5 | Very low | 46 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | trans | 75.2 | 140.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 274 | G | 36.1 | Very low | 46.3 | Very low | 82 Ų | 82 | 127.7 Ų | 127.7 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | cis | 142.4 | 138 | 14.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 275 | G | 39.8 | Very low | 45.7 | Very low | 86 Ų | 86 | 127.3 Ų | 127.3 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | 88.1 | 121.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 276 | G | 41.3 | Very low | 45.2 | Very low | 88 Ų | 88 | 122.6 Ų | 122.6 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | cis | 105.7 | 100.3 | 37.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 277 | G | 43 | Very low | 44.3 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -172.9 | 66.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 278 | Q | 47.9 | Very low | 44.7 | Very low | 167 Ų | 167 | 121.9 Ų | 121.9 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -52.2 | 128 | 166.1 | -163.4 | 88.3 | 39.3 | 0 | 0 | 109.7 | D280 | Q278-D280 WeakPolarHBondContact CG-OD2 3.31Å; Q278-D280 PolarHBondContact NE2-OD2 3.42Å | ||
| 279 | G | 46.9 | Very low | 45.1 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | -147.8 | 65.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | H281 | G279-H281 PolarHBondContact O-N 3.43Š| ||
| 280 | D | 50.7 | Low | 45.5 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 66% | 0.658 | 82% | 0.815 | S | S | * | * | trans | -64 | 111.8 | 173.4 | -68.6 | -60 | 0 | 0 | 0 | 110.6 | Q278 | Q278-D280 WeakPolarHBondContact CG-OD2 3.31Å; Q278-D280 PolarHBondContact NE2-OD2 3.42Å | ||
| 281 | H | 47.4 | Very low | 45.9 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | trans | -141.3 | 89.5 | 161 | -78.3 | -68.3 | 0 | 0 | 0 | 110.5 | G279 | G279-H281 PolarHBondContact O-N 3.43Š| ||
| 282 | R | 51.3 | Low | 46.6 | Very low | 240 Ų | 240 | 124.8 Ų | 124.8 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -118.1 | 159 | 143.1 | -75.3 | -171.8 | -179.9 | -160.3 | 1.3 | 106.1 | ||||
| 283 | P | 54.3 | Low | 47.5 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | cis | -128.7 | 170.9 | 17.5 | 31.9 | -9.7 | 0 | 0 | 0 | 112.1 | ||||
| 284 | T | 52.8 | Low | 48.1 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | -158.3 | 134.6 | 98.1 | 32.9 | 0 | 0 | 0 | 0 | 111.5 | G286 | T284-G286 PolarHBondContact O-N 3.3Š| |||
| 285 | A | 50.3 | Low | 48.7 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 88% | 0.884 | 82% | 0.824 | S | S | * | * | trans | -71.9 | 117.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 286 | G | 46.8 | Very low | 49.1 | Very low | 74 Ų | 74 | 147.2 Ų | 147.2 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | -102.8 | 106.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | T284 | T284-G286 PolarHBondContact O-N 3.3Š| ||
| 287 | G | 44.2 | Very low | 49.6 | Very low | 68 Ų | 68 | 150.5 Ų | 150.5 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -62.6 | 132.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y289 | G287-Y289 PolarHBondContact O-N 3.42Š| ||
| 288 | I | 50.8 | Low | 50 | Low | 156 Ų | 156 | 154.8 Ų | 154.8 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | -77.6 | 105.3 | 166.9 | -62.1 | 172.2 | 0 | 0 | 0 | 107.1 | Y290 | I288-Y290 HydrophobicContact CG2-CD2 4.49Š| ||
| 289 | Y | 49.1 | Very low | 50.1 | Low | 223 Ų | 223 | 154 Ų | 154 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | trans | -80.9 | 114.1 | 168.2 | -99.4 | -93.7 | 0 | 0 | 0 | 109.7 | G287 | G287-Y289 PolarHBondContact O-N 3.42Š| ||
| 290 | Y | 47.7 | Very low | 50.3 | Low | 205 Ų | 205 | 159.7 Ų | 159.7 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -73 | 132.7 | 158.5 | -93 | -98.5 | 0 | 0 | 0 | 108.9 | I288 | I288-Y290 HydrophobicContact CG2-CD2 4.49Š| ||
| 291 | N | 50.9 | Low | 50.3 | Low | 149 Ų | 149 | 162.3 Ų | 162.3 | 80% | 0.797 | 84% | 0.838 | S | S | * | * | trans | -120.7 | 105.4 | 161.6 | -131.7 | -19.3 | 0 | 0 | 0 | 109.3 | ||||
| 292 | S | 52.8 | Low | 50.5 | Low | 105 Ų | 105 | 160.2 Ų | 160.2 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | trans | -105 | 120 | 169.4 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 293 | K | 54.8 | Low | 50.4 | Low | 184 Ų | 184 | 153.6 Ų | 153.6 | 80% | 0.8 | 83% | 0.83 | S | S | * | * | trans | -140.3 | 110.1 | 161.4 | -85.2 | 177.6 | 176.3 | 175.4 | 0 | 105.7 | ||||
| 294 | R | 50.8 | Low | 50.1 | Low | 318 Ų | 318 | 157.3 Ų | 157.3 | 100% | 1.2 | 84% | 0.838 | S | S | * | * | 52.9 | 0 | 82.8 | -92.2 | -161.9 | -163.9 | -169.8 | 6.3 | 112.9 |
Retrieved 294 of 294 residues in 101.5 ms
(Link to these results)