| 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 | 51.7 | Low | 48.6 | Very low | 250 Ų | 250 | 146.1 Ų | 146.1 | 100% | 1.232 | 83% | 0.826 | S | S | * | * | 0 | 143.9 | 0 | -75.6 | 167.6 | 166.1 | 0 | 0 | 107.6 | |||||
| 2 | S | 44 | Very low | 48.3 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -53.3 | 162.4 | -175.2 | -35.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3 | T | 49.9 | Very low | 47.5 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | cis | -163.9 | 134.5 | -3.5 | 4.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 4 | A | 46 | Very low | 47.1 | Very low | 79 Ų | 79 | 145 Ų | 145 | 65% | 0.653 | 82% | 0.821 | S | S | * | * | 44.7 | 104.5 | 106.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 5 | I | 49.3 | Very low | 46.4 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | 53.2 | 122 | 92.8 | 66.5 | 158.3 | 0 | 0 | 0 | 116.3 | |||||
| 6 | D | 50.9 | Low | 46.4 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 78% | 0.775 | 83% | 0.825 | S | S | * | * | -167.5 | 171.4 | 103.8 | -150.5 | 7.9 | 0 | 0 | 0 | 113.9 | |||||
| 7 | E | 48.6 | Very low | 46 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | trans | -64 | 139.7 | -171.4 | -70.9 | -176.7 | 141.8 | 0 | 0 | 116.4 | ||||
| 8 | T | 47.6 | Very low | 45.8 | Very low | 121 Ų | 121 | 148.8 Ų | 148.8 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | 73.9 | 106.6 | 84.4 | -42.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 9 | D | 55.1 | Low | 45.4 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -158.4 | 136.4 | 148.1 | -122.9 | -21.1 | 0 | 0 | 0 | 111.6 | ||||
| 10 | P | 45.8 | Very low | 45.2 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | trans | -113.4 | 73 | -173.5 | 40.7 | -31.3 | 0 | 0 | 0 | 114.3 | ||||
| 11 | D | 46 | Very low | 44.9 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | -98.9 | 103.1 | 171.6 | -105.6 | -23.3 | 0 | 0 | 0 | 112.2 | ||||
| 12 | A | 44.1 | Very low | 44.6 | Very low | 84 Ų | 84 | 142 Ų | 142 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | -93 | 131.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 13 | F | 38.5 | Very low | 44 | Very low | 205 Ų | 205 | 140.9 Ų | 140.9 | 90% | 0.899 | 81% | 0.806 | S | S | * | * | trans | 58.1 | 79.2 | 150.4 | -88.4 | -95.5 | 0 | 0 | 0 | 118.8 | ||||
| 14 | T | 41.8 | Very low | 43.3 | Very low | 134 Ų | 134 | 144.8 Ų | 144.8 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -161.6 | 104.6 | 135.2 | 42 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 15 | N | 37.2 | Very low | 42.7 | Very low | 148 Ų | 148 | 146 Ų | 146 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -177.7 | 116.7 | 134.6 | -110.8 | -38.9 | 0 | 0 | 0 | 111.6 | ||||
| 16 | V | 46 | Very low | 41.9 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -129.3 | 101.3 | 151.7 | 179.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 17 | Y | 38.7 | Very low | 41 | Very low | 198 Ų | 198 | 143 Ų | 143 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -112.8 | 160.8 | 172.1 | -161.4 | -89.9 | 0 | 0 | 0 | 107.9 | ||||
| 18 | L | 42.5 | Very low | 40.4 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | trans | 95.5 | 133.3 | -172.7 | -58.3 | 165.6 | 0 | 0 | 0 | 113.1 | ||||
| 19 | S | 38.1 | Very low | 39.6 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 66% | 0.657 | 82% | 0.819 | S | S | * | * | cis | 163.4 | 113.4 | -14.8 | 154.8 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 20 | E | 42.6 | Very low | 38.4 | Very low | 202 Ų | 202 | 138 Ų | 138 | 94% | 0.944 | 81% | 0.809 | S | S | * | * | trans | -151 | 137.4 | 150.9 | -123.5 | 168.9 | -155.7 | 0 | 0 | 110.6 | ||||
| 21 | S | 39.5 | Very low | 38 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -125.9 | 125.4 | -164.9 | 57.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 22 | V | 44.7 | Very low | 37.5 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 93% | 0.933 | 79% | 0.789 | S | S | * | * | trans | -141.4 | 126.4 | 148.2 | -79.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 23 | G | 30.9 | Very low | 37.2 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -88.2 | 157.8 | -159.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 24 | F | 35.1 | Very low | 37 | Very low | 210 Ų | 210 | 138.5 Ų | 138.5 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -116.9 | 111.2 | 153.9 | -166.3 | -100.8 | 0 | 0 | 0 | 107.9 | ||||
| 25 | S | 34.1 | Very low | 36.9 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -71.4 | 142.2 | -173.9 | -165.7 | 0 | 0 | 0 | 0 | 111.2 | N27 | S25-N27 PolarHBondContact O-N 3.35Š| ||
| 26 | A | 32.7 | Very low | 36.7 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | trans | -62.6 | 127.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 27 | N | 31.1 | Very low | 36.1 | Very low | 159 Ų | 159 | 134 Ų | 134 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | -171.7 | 89.5 | 155.9 | -93.5 | -28.9 | 0 | 0 | 0 | 109.6 | S25 | S25-N27 PolarHBondContact O-N 3.35Š| ||
| 28 | F | 36.1 | Very low | 35.7 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | trans | -142.9 | 60.3 | 163.6 | -153 | -102.4 | 0 | 0 | 0 | 111.5 | S31 | F28-S31 VanDerWaalsContact CE1-CB 3.44Š| ||
| 29 | A | 32.2 | Very low | 35.2 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 88% | 0.884 | 76% | 0.759 | S | S | * | * | trans | -76.8 | 118.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 30 | G | 29.9 | Very low | 34.8 | Very low | 62 Ų | 62 | 133.8 Ų | 133.8 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | trans | 96.6 | 90.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 31 | S | 35.5 | Very low | 34.3 | Very low | 57 Ų | 57 | 129.6 Ų | 129.6 | 40% | 0.399 | 76% | 0.76 | S | S | . | * | trans | -156 | 65.6 | 145.3 | -150.2 | 0 | 0 | 0 | 0 | 112.6 | F28 H33 | F28-S31 VanDerWaalsContact CE1-CB 3.44Å; S31-H33 PolarHBondContact O-N 2.66Å | ||
| 32 | D | 36.3 | Very low | 33.7 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 13.2 | 170.5 | -65 | -56.1 | 0 | 0 | 0 | 113.6 | ||
| 33 | H | 38.2 | Very low | 33.3 | Very low | 157 Ų | 157 | 128 Ų | 128 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -9 | -169.7 | -101.5 | -85.6 | 0 | 0 | 0 | 115.5 | S31 F35 | S31-H33 PolarHBondContact O-N 2.66Å; H33-F35 VanDerWaalsContact C-N 3.34Å; H33-F35 PolarHBondContact O-N 3.39Å |
| 34 | Y | 33.1 | Very low | 33.4 | Very low | 212 Ų | 212 | 133 Ų | 133 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 1.8 | -166.3 | -126.5 | -89.1 | 0 | 0 | 0 | 116.6 | ||
| 35 | F | 39.9 | Very low | 33.2 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 40% | 0.395 | 75% | 0.746 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.4 | 1.1 | -176.6 | -141.4 | -106.1 | 0 | 0 | 0 | 115.7 | H33 Y93 M101 | H33-F35 VanDerWaalsContact C-N 3.34Å; H33-F35 PolarHBondContact O-N 3.39Å; F35-Y93 HydrophobicContact CE1-CE2 4.15Å; F35-Y93 AromaticContact CE1-CZ 3.77Å; F35-Y93 WeakPolarHBondContact CE1-OH 3.38Å; F35-M101 HydrophobicContact CE1-SD 4.06Å; F35-M101 HydrophobicContact CZ-SD 4.32Å |
| 36 | N | 33.9 | Very low | 33.4 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -106.9 | -0.3 | 179.6 | -83.6 | -27.8 | 0 | 0 | 0 | 114.1 | ||
| 37 | S | 32 | Very low | 33.4 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -113.2 | 55.4 | -174.5 | -168.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 38 | V | 32 | Very low | 33.5 | Very low | 137 Ų | 137 | 140 Ų | 140 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | -105.6 | 70.3 | 159.2 | -175 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 39 | Q | 30.7 | Very low | 33.3 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | trans | -76.4 | 129.4 | 167.3 | -80.3 | -82.8 | -91.8 | 0 | 0 | 108.8 | S41 | Q39-S41 PolarHBondContact O-N 3.28Š| ||
| 40 | V | 29.4 | Very low | 33.4 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -65.7 | 98.9 | -178.3 | 176.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 41 | S | 32.2 | Very low | 33.3 | Very low | 113 Ų | 113 | 143 Ų | 143 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -94.3 | 108.5 | 169.9 | -68.4 | 0 | 0 | 0 | 0 | 109.4 | Q39 | Q39-S41 PolarHBondContact O-N 3.28Š| ||
| 42 | S | 28.4 | Very low | 33.4 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -83 | 120.2 | -176 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 43 | S | 35.8 | Very low | 33.3 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -141.3 | 121.9 | 164 | 53.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 44 | K | 33 | Very low | 33 | Very low | 191 Ų | 191 | 145.9 Ų | 145.9 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | -77.7 | 139.5 | -174 | -55.8 | 168.6 | 179.3 | 177.6 | 0 | 111.1 | ||||
| 45 | Q | 31.3 | Very low | 33.1 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | -176.7 | 143.4 | 126.4 | -101.3 | 172.8 | -95 | 0 | 0 | 110.6 | |||||
| 46 | E | 38.3 | Very low | 32.9 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | 50.3 | 90.9 | 162.2 | -66.8 | 134.5 | -122.1 | 0 | 0 | 116.6 | ||||
| 47 | E | 31.6 | Very low | 33.2 | Very low | 199 Ų | 199 | 140.4 Ų | 140.4 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | 56.6 | 65.7 | 66.5 | -63.5 | -165.3 | 178.4 | 0 | 0 | 116 | |||||
| 48 | E | 34.6 | Very low | 33.6 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -146.6 | 112.3 | 138.1 | -137.1 | 172.3 | -165.4 | 0 | 0 | 113.1 | ||||
| 49 | E | 30.9 | Very low | 34.4 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 43.6 | 70.6 | 148.1 | -151.3 | 176.2 | -142.7 | 0 | 0 | 121.6 | ||
| 50 | T | 35.1 | Very low | 35 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | trans | -136.8 | 46.5 | 151 | 47.8 | 0 | 0 | 0 | 0 | 113.8 | I52 | T50-I52 VanDerWaalsContact C-N 3.31Å; T50-I52 PolarHBondContact O-N 3.34Å | ||
| 51 | G | 27.7 | Very low | 35.6 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -72.3 | 71.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 52 | I | 37.3 | Very low | 36.2 | Very low | 161 Ų | 161 | 142 Ų | 142 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | -121.4 | 65.3 | 171 | -49.8 | -175.5 | 0 | 0 | 0 | 111.1 | T50 | T50-I52 VanDerWaalsContact C-N 3.31Å; T50-I52 PolarHBondContact O-N 3.34Å | ||
| 53 | L | 34.8 | Very low | 37 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | 27.9 | 111.7 | 127.7 | -135.5 | 164.6 | 0 | 0 | 0 | 117.6 | S55 | L53-S55 PolarHBondContact O-N 3.26Š| |||
| 54 | V | 32.1 | Very low | 37 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | -32.7 | 96.8 | 157.4 | -176.7 | 0 | 0 | 0 | 0 | 112.6 | N56 | V54-N56 PolarHBondContact O-N 3.22Å; V54-N56 VanDerWaalsContact O-N 3.11Å | ||
| 55 | S | 34.3 | Very low | 37.5 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | trans | -84.8 | 89.8 | 176.7 | 65.6 | 0 | 0 | 0 | 0 | 111.5 | L53 | L53-S55 PolarHBondContact O-N 3.26Š| ||
| 56 | N | 36.1 | Very low | 38 | Very low | 120 Ų | 120 | 137 Ų | 137 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | trans | 38.1 | 108.9 | 154.3 | -59.3 | -2.9 | 0 | 0 | 0 | 118.6 | V54 D58 | V54-N56 PolarHBondContact O-N 3.22Å; V54-N56 VanDerWaalsContact O-N 3.11Å; N56-D58 WeakPolarHBondContact CB-OD2 3.49Å; N56-D58 PolarHBondContact O-N 3.01Å | ||
| 57 | F | 39.4 | Very low | 38.5 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 47% | 0.465 | 76% | 0.759 | S | S | . | * | trans | -95.7 | 72.2 | 164.6 | -145.1 | -61.7 | 0 | 0 | 0 | 108.8 | V59 Y95 | F57-V59 HydrophobicContact CD1-CG2 3.9Å; F57-V59 HydrophobicContact CE1-CG2 4.17Å; F57-V59 PolarHBondContact O-N 3.5Å; F57-Y95 AromaticContact CZ-CE2 3.92Å; F57-Y95 HydrophobicContact CZ-CE2 3.92Å; F57-Y95 AromaticContact CZ-CZ 3.95Å | ||
| 58 | D | 41.5 | Very low | 39.1 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | -66.2 | 96.4 | 177.3 | -65.5 | -50.8 | 0 | 0 | 0 | 109.7 | N56 | N56-D58 WeakPolarHBondContact CB-OD2 3.49Å; N56-D58 PolarHBondContact O-N 3.01Å | ||
| 59 | V | 47.6 | Very low | 39.7 | Very low | 60 Ų | 60 | 128.4 Ų | 128.4 | 36% | 0.364 | 75% | 0.748 | S | S | . | * | trans | -94.9 | 101.3 | 161.2 | 176.5 | 0 | 0 | 0 | 0 | 105.6 | F57 D61 | F57-V59 HydrophobicContact CD1-CG2 3.9Å; F57-V59 HydrophobicContact CE1-CG2 4.17Å; F57-V59 PolarHBondContact O-N 3.5Å; V59-D61 PolarHBondContact O-N 3.09Å | ||
| 60 | E | 44.6 | Very low | 40.6 | Very low | 170 Ų | 170 | 128 Ų | 128 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | -64.2 | 99.6 | 169.2 | -66.8 | 178.4 | 111.5 | 0 | 0 | 108.7 | Q62 | E60-Q62 VanDerWaalsContact C-N 3.27Å; E60-Q62 PolarHBondContact O-N 2.74Å | ||
| 61 | D | 42 | Very low | 41 | Very low | 143 Ų | 143 | 127.1 Ų | 127.1 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | -82.8 | 72.4 | -179.9 | -160.9 | 17.7 | 0 | 0 | 0 | 109.6 | V59 A63 | V59-D61 PolarHBondContact O-N 3.09Å; D61-A63 PolarHBondContact O-N 3.39Å | ||
| 62 | Q | 43 | Very low | 41.6 | Very low | 180 Ų | 180 | 127.1 Ų | 127.1 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | trans | -80.2 | 70.4 | 170 | -69.8 | -147.8 | 20.2 | 0 | 0 | 110.6 | E60 G64 | E60-Q62 VanDerWaalsContact C-N 3.27Å; E60-Q62 PolarHBondContact O-N 2.74Å; Q62-G64 VanDerWaalsContact C-N 3.26Å; Q62-G64 PolarHBondContact O-N 3.38Å | ||
| 63 | A | 46.1 | Very low | 41.9 | Very low | 83 Ų | 83 | 129.2 Ų | 129.2 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | trans | -73.6 | 80.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | D61 D65 | D61-A63 PolarHBondContact O-N 3.39Å; A63-D65 PolarHBondContact O-N 3.12Å | ||
| 64 | G | 36 | Very low | 42.3 | Very low | 83 Ų | 83 | 125.9 Ų | 125.9 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | trans | -75.5 | 102.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q62 | Q62-G64 VanDerWaalsContact C-N 3.26Å; Q62-G64 PolarHBondContact O-N 3.38Å | ||
| 65 | D | 43.6 | Very low | 43 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | trans | -124.9 | 110.9 | 168.4 | -168 | 0.4 | 0 | 0 | 0 | 109.6 | A63 | A63-D65 PolarHBondContact O-N 3.12Š| ||
| 66 | N | 40.7 | Very low | 43.4 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 94% | 0.936 | 75% | 0.754 | S | S | * | * | trans | -96.3 | 99.4 | 174.5 | -88.6 | -27.8 | 0 | 0 | 0 | 108.4 | ||||
| 67 | S | 49.8 | Very low | 44 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | -142.1 | 111.5 | 157.9 | 52 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 68 | S | 44.6 | Very low | 44.4 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | -69.8 | 141.5 | 162 | 49.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 69 | D | 47.3 | Very low | 44.7 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | -177 | 159.1 | 115.3 | -86.7 | -13.3 | 0 | 0 | 0 | 111.9 | |||||
| 70 | Q | 49.5 | Very low | 44.7 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -102.5 | 152.8 | -163.3 | -66.5 | -178.1 | -4.3 | 0 | 0 | 114.5 | ||||
| 71 | S | 43.3 | Very low | 44.7 | Very low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | 59.1 | 121.4 | 145.4 | 61.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 72 | G | 41 | Very low | 45 | Very low | 78 Ų | 78 | 131.7 Ų | 131.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -169.6 | 114.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 73 | E | 42.1 | Very low | 45.1 | Very low | 206 Ų | 206 | 131.1 Ų | 131.1 | 96% | 0.963 | 78% | 0.776 | S | S | * | * | trans | -69.7 | 144.8 | -178.9 | -60.8 | 169.6 | 112 | 0 | 0 | 111.6 | ||||
| 74 | G | 44.3 | Very low | 45.2 | Very low | 73 Ų | 73 | 130.7 Ų | 130.7 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | 154.3 | 99.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 75 | N | 45.9 | Very low | 45.8 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | 69.3 | 138.3 | 155 | -153.3 | 6.5 | 0 | 0 | 0 | 119.2 | V77 | N75-V77 PolarHBondContact O-N 2.83Å; N75-V77 VanDerWaalsContact O-N 3.16Å | ||
| 76 | I | 43 | Very low | 46.2 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -82.6 | 95.2 | -176.2 | -59.6 | 170.4 | 0 | 0 | 0 | 109.1 | V78 | I76-V78 HydrophobicContact CG2-CG2 4.23Š| ||
| 77 | V | 49.7 | Very low | 46.8 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | trans | -116.3 | 106.3 | 155.3 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | N75 Q79 | N75-V77 PolarHBondContact O-N 2.83Å; N75-V77 VanDerWaalsContact O-N 3.16Å; V77-Q79 HydrophobicContact CG1-CG 3.92Å; V77-Q79 PolarHBondContact O-N 2.89Å | ||
| 78 | V | 46.9 | Very low | 47.1 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -71.7 | 75.2 | 170.6 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | I76 | I76-V78 HydrophobicContact CG2-CG2 4.23Š| ||
| 79 | Q | 47.9 | Very low | 48.3 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | trans | -60.4 | 141.3 | 160.8 | -65 | -161.3 | 41.6 | 0 | 0 | 107.5 | V77 S81 | V77-Q79 HydrophobicContact CG1-CG 3.92Å; V77-Q79 PolarHBondContact O-N 2.89Å; Q79-S81 PolarHBondContact O-N 3.26Å | ||
| 80 | P | 48.6 | Very low | 49.5 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | trans | -66.7 | 90.7 | 172.4 | 28.3 | -32.9 | 0 | 0 | 0 | 108.5 | K82 | P80-K82 PolarHBondContact O-N 2.82Š| ||
| 81 | S | 42.8 | Very low | 50.9 | Low | 60 Ų | 60 | 126.3 Ų | 126.3 | 42% | 0.42 | 70% | 0.695 | S | S | . | * | trans | -32.5 | 135.7 | 158 | 52.3 | 0 | 0 | 0 | 0 | 109.5 | Q79 K83 | Q79-S81 PolarHBondContact O-N 3.26Å; S81-K83 WeakPolarHBondContact O-CB 3.45Å; S81-K83 PolarHBondContact O-N 2.94Å; S81-K83 WeakPolarHBondContact OG-CD 3.4Å; S81-K83 WeakPolarHBondContact OG-CE 3.48Å; S81-K83 WeakPolarHBondContact OG-CG 3.24Å; S81-K83 PolarHBondContact OG-NZ 3.28Å | ||
| 82 | K | 49.4 | Very low | 52.9 | Low | 220 Ų | 220 | 126.2 Ų | 126.2 | 96% | 0.957 | 69% | 0.691 | S | S | * | * | trans | -63 | 57.1 | -176.7 | -59.3 | 172.8 | -176.8 | 172.1 | 0 | 112.7 | P80 A84 | P80-K82 PolarHBondContact O-N 2.82Å; K82-A84 PolarHBondContact O-N 3.06Å; K82-A84 VanDerWaalsContact O-N 3.11Å | ||
| 83 | K | 44.7 | Very low | 55.3 | Low | 168 Ų | 168 | 125.4 Ų | 125.4 | 73% | 0.73 | 66% | 0.664 | S | S | * | * | trans | -76.2 | 95.4 | -173.6 | -84.5 | 167.2 | 176.6 | 154.5 | 0 | 108.5 | S81 | S81-K83 WeakPolarHBondContact O-CB 3.45Å; S81-K83 PolarHBondContact O-N 2.94Å; S81-K83 WeakPolarHBondContact OG-CD 3.4Å; S81-K83 WeakPolarHBondContact OG-CE 3.48Å; S81-K83 WeakPolarHBondContact OG-CG 3.24Å; S81-K83 PolarHBondContact OG-NZ 3.28Å | ||
| 84 | A | 48.9 | Very low | 57.7 | Low | 73 Ų | 73 | 117.3 Ų | 117.3 | 60% | 0.603 | 63% | 0.63 | S | S | * | * | trans | 51.4 | 111.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K82 K86 | K82-A84 PolarHBondContact O-N 3.06Å; K82-A84 VanDerWaalsContact O-N 3.11Å; A84-K86 PolarHBondContact O-N 3.22Å | ||
| 85 | I | 48.3 | Very low | 60.1 | Low | 162 Ų | 162 | 115.6 Ų | 115.6 | 83% | 0.831 | 60% | 0.602 | S | S | * | * | trans | -53.7 | 104.4 | 141.9 | -64.2 | 173.3 | 0 | 0 | 0 | 104.4 | ||||
| 86 | K | 50.8 | Low | 62.4 | Low | 159 Ų | 159 | 108.5 Ų | 108.5 | 69% | 0.691 | 56% | 0.564 | S | S | * | * | trans | -64.7 | 159.1 | -163.9 | -118.3 | 176.6 | 177 | -179.2 | 0 | 107.9 | A84 S88 | A84-K86 PolarHBondContact O-N 3.22Å; K86-S88 PolarHBondContact O-N 3.34Å; K86-S88 PolarHBondContact O-OG 3.1Å | ||
| 87 | R | 53.2 | Low | 64.8 | Low | 238 Ų | 238 | 101.5 Ų | 101.5 | 90% | 0.898 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 20.4 | 179.2 | -54.2 | -179.1 | -176.2 | 114.3 | -1.9 | 113.4 | ||
| 88 | S | 56.9 | Low | 66.9 | Low | 83 Ų | 83 | 96.4 Ų | 96.4 | 58% | 0.58 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -29.2 | -174.2 | 40.2 | 0 | 0 | 0 | 0 | 114.2 | K86 K90 | K86-S88 PolarHBondContact O-N 3.34Å; K86-S88 PolarHBondContact O-OG 3.1Å; S88-K90 VanDerWaalsContact C-N 3.34Å; S88-K90 PolarHBondContact O-N 2.9Å |
| 89 | D | 70.6 | Confident | 69.3 | Low | 78 Ų | 78 | 90.3 Ų | 90.3 | 42% | 0.417 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -95.3 | 5.8 | -161.1 | -43.2 | -22 | 0 | 0 | 0 | 112.7 | C126 | D89-C126 PolarHBondContact O-SG 3.39Š|
| 90 | K | 71.1 | Confident | 71.5 | Confident | 95 Ų | 95 | 83.1 Ų | 83.1 | 41% | 0.413 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -88.2 | 120.1 | 175 | -69.1 | -178.7 | -178.9 | 178 | 0 | 109.2 | S88 | S88-K90 VanDerWaalsContact C-N 3.34Å; S88-K90 PolarHBondContact O-N 2.9Å |
| 91 | P | 80.1 | Confident | 73.7 | Confident | 22 Ų | 22 | 77.8 Ų | 77.8 | 14% | 0.143 | 39% | 0.391 | C | S | . | . | trans | -64 | 148.1 | 179 | 24.2 | -33 | 0 | 0 | 0 | 112 | Y93 L98 F124 | P91-Y93 HydrophobicContact CB-CD2 3.7Å; P91-Y93 HydrophobicContact CB-CE2 4.33Å; P91-Y93 HydrophobicContact CB-CG 4.46Å; P91-Y93 PolarHBondContact O-N 3.47Å; P91-L98 HydrophobicContact CG-CD2 4.05Å; P91-F124 HydrophobicContact CB-CD1 3.72Å; P91-F124 HydrophobicContact CB-CE1 3.58Å; P91-F124 HydrophobicContact CB-CG 4.43Å; P91-F124 HydrophobicContact CB-CZ 4.19Å; P91-F124 HydrophobicContact CG-CB 4.48Å; P91-F124 HydrophobicContact CG-CD1 3.72Å; P91-F124 HydrophobicContact CG-CD2 4.36Å; P91-F124 HydrophobicContact CG-CE1 3.95Å; P91-F124 HydrophobicContact CG-CG 3.93Å; P91-F124 HydrophobicContact CG-CZ 4.35Å | ||
| 92 | P | 85.4 | Confident | 76.2 | Confident | 120 Ų | 120 | 75.2 Ų | 75.2 | 78% | 0.779 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -74.8 | 36.3 | 175.9 | 34.2 | -37.3 | 0 | 0 | 0 | 112.6 | ||
| 93 | Y | 89.7 | Confident | 78.4 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 24% | 0.235 | 33% | 0.328 | C | S | . | . | trans | -123.6 | 126.7 | -174.5 | -57 | -51.7 | 0 | 0 | 0 | 111.1 | F35 P91 L98 M101 F124 | F35-Y93 HydrophobicContact CE1-CE2 4.15Å; F35-Y93 AromaticContact CE1-CZ 3.77Å; F35-Y93 WeakPolarHBondContact CE1-OH 3.38Å; P91-Y93 HydrophobicContact CB-CD2 3.7Å; P91-Y93 HydrophobicContact CB-CE2 4.33Å; P91-Y93 HydrophobicContact CB-CG 4.46Å; P91-Y93 PolarHBondContact O-N 3.47Å; Y93-L98 HydrophobicContact CD2-CD2 4.32Å; Y93-M101 HydrophobicContact CD2-CE 3.59Å; Y93-M101 HydrophobicContact CE2-CE 4.14Å; Y93-M101 HydrophobicContact CG-CE 3.9Å; Y93-F124 HydrophobicContact CD2-CE1 4.43Å; Y93-F124 HydrophobicContact CD2-CZ 4.19Å | ||
| 94 | S | 92.9 | Very high | 80.7 | Confident | 36 Ų | 36 | 59.3 Ų | 59.3 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | trans | -60.1 | 158 | 167.9 | 66.4 | 0 | 0 | 0 | 0 | 112.5 | I96 A97 L98 R183 | S94-I96 VanDerWaalsContact C-N 3.3Å; S94-I96 PolarHBondContact O-N 3.27Å; S94-A97 WeakPolarHBondContact O-CB 3.42Å; S94-A97 PolarHBondContact O-N 3.11Å; S94-A97 PolarHBondContact OG-N 2.98Å; S94-L98 WeakPolarHBondContact O-CG 3.49Å; S94-L98 PolarHBondContact O-N 3Å; S94-R183 PolarHBondContact OG-NH1 2.84Å | ||
| 95 | Y | 95.3 | Very high | 82.9 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -53.4 | -39 | 176 | -73.1 | -69.6 | 0 | 0 | 0 | 114.7 | F57 L98 I99 F127 W134 S137 V138 | F57-Y95 AromaticContact CZ-CE2 3.92Å; F57-Y95 HydrophobicContact CZ-CE2 3.92Å; F57-Y95 AromaticContact CZ-CZ 3.95Å; Y95-L98 HydrophobicContact CD1-CD1 4.25Å; Y95-L98 PolarHBondContact O-N 3.06Å; Y95-I99 WeakPolarHBondContact O-CD1 3.5Å; Y95-I99 WeakPolarHBondContact O-CG1 3.23Å; Y95-I99 PolarHBondContact O-N 3.18Å; Y95-F127 HydrophobicContact CE1-CE1 4.42Å; Y95-W134 HydrophobicContact CE1-CB 4.38Å; Y95-S137 VanDerWaalsContact CE2-CB 3.43Å; Y95-S137 VanDerWaalsContact CZ-CB 3.44Å; Y95-V138 HydrophobicContact CD1-CG2 3.96Å; Y95-V138 HydrophobicContact CE1-CG2 4.27Å |
| 96 | I | 94.1 | Very high | 85.1 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 175.7 | -55.3 | -174 | 0 | 0 | 0 | 110.7 | S94 L98 I99 V100 N141 N145 F148 F174 | S94-I96 VanDerWaalsContact C-N 3.3Å; S94-I96 PolarHBondContact O-N 3.27Å; I96-L98 VanDerWaalsContact C-N 3.33Å; I96-L98 PolarHBondContact O-N 2.97Å; I96-I99 PolarHBondContact O-N 3.16Å; I96-V100 HydrophobicContact CG2-CG2 4.21Å; I96-V100 VanDerWaalsContact O-CB 3.3Å; I96-V100 WeakPolarHBondContact O-CB 3.05Å; I96-V100 VanDerWaalsContact O-CG2 3.27Å; I96-V100 WeakPolarHBondContact O-CG2 3.18Å; I96-V100 PolarHBondContact O-N 2.89Å; I96-N141 WeakPolarHBondContact CG1-OD1 3.45Å; I96-N145 HydrophobicContact CD1-CB 4.2Å; I96-N145 WeakPolarHBondContact CD1-ND2 3.14Å; I96-N145 WeakPolarHBondContact CD1-OD1 3.45Å; I96-F148 HydrophobicContact CB-CE2 4.32Å; I96-F148 HydrophobicContact CB-CZ 4.29Å; I96-F148 HydrophobicContact CG1-CE2 4.31Å; I96-F148 HydrophobicContact CG2-CE2 3.89Å; I96-F148 HydrophobicContact CG2-CZ 3.65Å; I96-F174 HydrophobicContact CG2-CE1 3.9Å; I96-F174 HydrophobicContact CG2-CE2 4.09Å; I96-F174 HydrophobicContact CG2-CZ 3.66Å |
| 97 | A | 93.1 | Very high | 87.2 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S94 V100 M101 V181 | S94-A97 WeakPolarHBondContact O-CB 3.42Å; S94-A97 PolarHBondContact O-N 3.11Å; S94-A97 PolarHBondContact OG-N 2.98Å; A97-V100 PolarHBondContact O-N 3.33Å; A97-M101 WeakPolarHBondContact O-CG 3.33Å; A97-M101 PolarHBondContact O-N 3.01Å; A97-V181 HydrophobicContact CB-CG1 3.69Å |
| 98 | L | 94.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 175.1 | -70.6 | 173.8 | 0 | 0 | 0 | 112.4 | P91 Y93 S94 Y95 I96 M101 A102 L120 F124 F127 | P91-L98 HydrophobicContact CG-CD2 4.05Å; Y93-L98 HydrophobicContact CD2-CD2 4.32Å; S94-L98 WeakPolarHBondContact O-CG 3.49Å; S94-L98 PolarHBondContact O-N 3Å; Y95-L98 HydrophobicContact CD1-CD1 4.25Å; Y95-L98 PolarHBondContact O-N 3.06Å; I96-L98 VanDerWaalsContact C-N 3.33Å; I96-L98 PolarHBondContact O-N 2.97Å; L98-M101 HydrophobicContact CD2-CE 3.84Å; L98-A102 PolarHBondContact O-N 2.87Å; L98-A102 VanDerWaalsContact O-N 3.17Å; L98-L120 HydrophobicContact CB-CD2 3.78Å; L98-L120 HydrophobicContact CD2-CD2 4.07Å; L98-L120 HydrophobicContact CG-CD2 4.39Å; L98-F124 HydrophobicContact CD2-CD2 4.08Å; L98-F124 HydrophobicContact CD2-CE2 3.43Å; L98-F124 VanDerWaalsContact CD2-CE2 3.43Å; L98-F124 HydrophobicContact CD2-CZ 3.82Å; L98-F127 HydrophobicContact CD1-CE2 4.15Å; L98-F127 HydrophobicContact CD1-CZ 3.78Å |
| 99 | I | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.9 | -42 | 177.4 | -64.6 | 159.6 | 0 | 0 | 0 | 111 | Y95 I96 M101 A102 I103 I116 V138 N141 L142 F148 | Y95-I99 WeakPolarHBondContact O-CD1 3.5Å; Y95-I99 WeakPolarHBondContact O-CG1 3.23Å; Y95-I99 PolarHBondContact O-N 3.18Å; I96-I99 PolarHBondContact O-N 3.16Å; I99-M101 PolarHBondContact O-N 3.28Å; I99-A102 WeakPolarHBondContact O-CB 3.49Å; I99-A102 PolarHBondContact O-N 3.02Å; I99-A102 VanDerWaalsContact O-N 3.12Å; I99-I103 HydrophobicContact CG2-CD1 3.88Å; I99-I103 HydrophobicContact CG2-CG1 4.47Å; I99-I103 PolarHBondContact O-N 3.21Å; I99-I116 HydrophobicContact CG1-CG2 4.31Å; I99-I116 HydrophobicContact CG2-CD1 4.26Å; I99-V138 HydrophobicContact CD1-CG1 4.22Å; I99-V138 HydrophobicContact CG1-CG1 4.26Å; I99-N141 HydrophobicContact CD1-CB 3.8Å; I99-L142 HydrophobicContact CD1-CD2 4.35Å; I99-L142 HydrophobicContact CD1-CG 4.17Å; I99-L142 HydrophobicContact CG2-CD2 3.69Å; I99-F148 HydrophobicContact CB-CE1 3.99Å; I99-F148 HydrophobicContact CB-CE2 4.3Å; I99-F148 HydrophobicContact CB-CZ 3.62Å; I99-F148 HydrophobicContact CD1-CE2 4.08Å; I99-F148 HydrophobicContact CD1-CZ 4.25Å; I99-F148 HydrophobicContact CG2-CD1 3.92Å; I99-F148 HydrophobicContact CG2-CE1 3.36Å; I99-F148 HydrophobicContact CG2-CE2 4.12Å; I99-F148 HydrophobicContact CG2-CZ 3.46Å; I99-F148 VanDerWaalsContact CG2-CZ 3.46Å |
| 100 | V | 94.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 177.1 | 160.4 | 0 | 0 | 0 | 0 | 110.7 | I96 A97 A102 I103 E104 F148 I166 F174 F175 | I96-V100 HydrophobicContact CG2-CG2 4.21Å; I96-V100 VanDerWaalsContact O-CB 3.3Å; I96-V100 WeakPolarHBondContact O-CB 3.05Å; I96-V100 VanDerWaalsContact O-CG2 3.27Å; I96-V100 WeakPolarHBondContact O-CG2 3.18Å; I96-V100 PolarHBondContact O-N 2.89Å; A97-V100 PolarHBondContact O-N 3.33Å; V100-A102 VanDerWaalsContact C-N 3.33Å; V100-A102 PolarHBondContact O-N 3.43Å; V100-I103 PolarHBondContact O-N 3.29Å; V100-E104 PolarHBondContact O-N 3.04Å; V100-F148 HydrophobicContact CG2-CE1 3.75Å; V100-F148 HydrophobicContact CG2-CZ 3.92Å; V100-I166 HydrophobicContact CB-CD1 4.29Å; V100-I166 HydrophobicContact CG1-CD1 4.06Å; V100-I166 HydrophobicContact CG2-CD1 4.2Å; V100-I166 HydrophobicContact CG2-CG1 4.33Å; V100-F174 HydrophobicContact CG1-CB 4.26Å; V100-F174 HydrophobicContact CG2-CD2 4.16Å; V100-F174 HydrophobicContact CG2-CG 4.42Å; V100-F175 HydrophobicContact CG1-CD2 4.36Å; V100-F175 HydrophobicContact CG1-CE1 4.23Å; V100-F175 HydrophobicContact CG1-CE2 3.3Å; V100-F175 HydrophobicContact CG1-CZ 3.2Å |
| 101 | M | 93.9 | Very high | 93.3 | Very high | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.044 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.3 | -43.3 | 172.7 | -74.6 | -173.1 | -69.4 | 0 | 0 | 112.4 | F35 Y93 A97 L98 I99 I103 E104 N105 F119 F124 | F35-M101 HydrophobicContact CE1-SD 4.06Å; F35-M101 HydrophobicContact CZ-SD 4.32Å; Y93-M101 HydrophobicContact CD2-CE 3.59Å; Y93-M101 HydrophobicContact CE2-CE 4.14Å; Y93-M101 HydrophobicContact CG-CE 3.9Å; A97-M101 WeakPolarHBondContact O-CG 3.33Å; A97-M101 PolarHBondContact O-N 3.01Å; L98-M101 HydrophobicContact CD2-CE 3.84Å; I99-M101 PolarHBondContact O-N 3.28Å; M101-I103 PolarHBondContact O-N 3.01Å; M101-E104 PolarHBondContact O-N 3.45Å; M101-N105 PolarHBondContact O-N 2.78Å; M101-N105 VanDerWaalsContact O-N 3.11Å; M101-N105 PolarHBondContact O-ND2 2.91Å; M101-F119 HydrophobicContact CB-CE1 4.12Å; M101-F119 HydrophobicContact CB-CZ 4.33Å; M101-F124 HydrophobicContact CE-CZ 4.15Å |
| 102 | A | 96 | Very high | 94 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L98 I99 V100 A106 I116 F119 | L98-A102 PolarHBondContact O-N 2.87Å; L98-A102 VanDerWaalsContact O-N 3.17Å; I99-A102 WeakPolarHBondContact O-CB 3.49Å; I99-A102 PolarHBondContact O-N 3.02Å; I99-A102 VanDerWaalsContact O-N 3.12Å; V100-A102 VanDerWaalsContact C-N 3.33Å; V100-A102 PolarHBondContact O-N 3.43Å; A102-A106 PolarHBondContact O-N 3.45Å; A102-I116 HydrophobicContact CB-CG1 4.3Å; A102-I116 HydrophobicContact CB-CG2 4.35Å; A102-F119 VanDerWaalsContact CA-CD1 3.48Å; A102-F119 HydrophobicContact CB-CB 4.11Å; A102-F119 HydrophobicContact CB-CD1 3.37Å; A102-F119 HydrophobicContact CB-CE1 3.89Å; A102-F119 HydrophobicContact CB-CG 3.8Å |
| 103 | I | 95.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.5 | -38.7 | 179.9 | -65.5 | 170.2 | 0 | 0 | 0 | 111.4 | I99 V100 M101 N105 A106 K109 A111 F148 W164 I166 | I99-I103 HydrophobicContact CG2-CD1 3.88Å; I99-I103 HydrophobicContact CG2-CG1 4.47Å; I99-I103 PolarHBondContact O-N 3.21Å; V100-I103 PolarHBondContact O-N 3.29Å; M101-I103 PolarHBondContact O-N 3.01Å; I103-N105 PolarHBondContact O-N 3.17Å; I103-A106 WeakPolarHBondContact O-CB 3.32Å; I103-A106 PolarHBondContact O-N 3.11Å; I103-K109 WeakPolarHBondContact CG2-O 3.48Å; I103-A111 HydrophobicContact CG1-CB 4.15Å; I103-F148 HydrophobicContact CD1-CD1 4.02Å; I103-F148 HydrophobicContact CD1-CE1 4.21Å; I103-W164 HydrophobicContact CD1-CB 4.34Å; I103-I166 HydrophobicContact CB-CD1 3.89Å; I103-I166 HydrophobicContact CB-CG1 4.08Å; I103-I166 HydrophobicContact CD1-CG1 4.06Å; I103-I166 HydrophobicContact CG2-CD1 3.85Å; I103-I166 HydrophobicContact CG2-CG1 3.87Å |
| 104 | E | 93.7 | Very high | 94.9 | Very high | 54 Ų | 54 | 38 Ų | 38 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.7 | -33.1 | 177.7 | -79.4 | -50.2 | 131.8 | 0 | 0 | 113.9 | V100 M101 A106 K109 I166 F175 | V100-E104 PolarHBondContact O-N 3.04Å; M101-E104 PolarHBondContact O-N 3.45Å; E104-A106 VanDerWaalsContact C-N 3.26Å; E104-A106 PolarHBondContact O-N 2.62Å; E104-K109 PolarHBondContact O-NZ 2.82Å; E104-K109 WeakPolarHBondContact OE2-CD 3.32Å; E104-K109 WeakPolarHBondContact OE2-CE 3.15Å; E104-K109 IonicContact OE2-NZ 2.66Å; E104-K109 PolarHBondContact OE2-NZ 2.74Å; E104-I166 HydrophobicContact CG-CD1 4.07Å; E104-I166 WeakPolarHBondContact OE1-CD1 3.48Å; E104-F175 HydrophobicContact CB-CZ 4.19Å; E104-F175 HydrophobicContact CG-CD2 4.46Å; E104-F175 HydrophobicContact CG-CE1 4.31Å; E104-F175 HydrophobicContact CG-CE2 3.36Å; E104-F175 HydrophobicContact CG-CZ 3.27Å |
| 105 | N | 94.1 | Very high | 95.1 | Very high | 97 Ų | 97 | 40.5 Ų | 40.5 | 52% | 0.519 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -75 | -16.5 | 175.9 | -78.5 | -98.8 | 0 | 0 | 0 | 112.3 | M101 I103 F119 | M101-N105 PolarHBondContact O-N 2.78Å; M101-N105 VanDerWaalsContact O-N 3.11Å; M101-N105 PolarHBondContact O-ND2 2.91Å; I103-N105 PolarHBondContact O-N 3.17Å; N105-F119 HydrophobicContact CB-CD2 4.29Å; N105-F119 HydrophobicContact CB-CE2 3.53Å; N105-F119 HydrophobicContact CB-CZ 4.1Å |
| 106 | A | 95 | Very high | 95.2 | Very high | 18 Ų | 18 | 38.7 Ų | 38.7 | 15% | 0.149 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -73.1 | 129.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A102 I103 E104 S108 K109 R110 A111 | A102-A106 PolarHBondContact O-N 3.45Å; I103-A106 WeakPolarHBondContact O-CB 3.32Å; I103-A106 PolarHBondContact O-N 3.11Å; E104-A106 VanDerWaalsContact C-N 3.26Å; E104-A106 PolarHBondContact O-N 2.62Å; A106-S108 PolarHBondContact O-N 2.77Å; A106-K109 PolarHBondContact O-N 3.35Å; A106-R110 WeakPolarHBondContact CB-O 3.22Å; A106-A111 HydrophobicContact CB-CB 4.48Å |
| 107 | P | 94.8 | Very high | 95.3 | Very high | 137 Ų | 137 | 39.9 Ų | 39.9 | 89% | 0.89 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.7 | -173.3 | 25.2 | -35.4 | 0 | 0 | 0 | 113.9 | ||
| 108 | S | 93.7 | Very high | 95.5 | Very high | 65 Ų | 65 | 44.7 Ų | 44.7 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 11.4 | 175.7 | 66 | 0 | 0 | 0 | 0 | 114.4 | A106 R110 | A106-S108 PolarHBondContact O-N 2.77Å; S108-R110 PolarHBondContact O-N 2.91Å; S108-R110 VanDerWaalsContact OG-CG 3.31Å; S108-R110 WeakPolarHBondContact OG-CG 3.47Å; S108-R110 PolarHBondContact OG-NE 3.38Å |
| 109 | K | 94.4 | Very high | 95.6 | Very high | 103 Ų | 103 | 46.1 Ų | 46.1 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 50.1 | 29.7 | -177.2 | -56.9 | -62.4 | -176.5 | 176.3 | 0 | 114 | I103 E104 A106 T165 | I103-K109 WeakPolarHBondContact CG2-O 3.48Å; E104-K109 PolarHBondContact O-NZ 2.82Å; E104-K109 WeakPolarHBondContact OE2-CD 3.32Å; E104-K109 WeakPolarHBondContact OE2-CE 3.15Å; E104-K109 IonicContact OE2-NZ 2.66Å; E104-K109 PolarHBondContact OE2-NZ 2.74Å; A106-K109 PolarHBondContact O-N 3.35Å; K109-T165 PolarHBondContact O-OG1 3.48Å |
| 110 | R | 94.8 | Very high | 95.7 | Very high | 103 Ų | 103 | 46.1 Ų | 46.1 | 39% | 0.389 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 145.2 | 174.4 | 65.5 | -173.3 | 176.9 | -174.5 | -2.6 | 108.8 | A106 S108 L151 Y163 W164 | A106-R110 WeakPolarHBondContact CB-O 3.22Å; S108-R110 PolarHBondContact O-N 2.91Å; S108-R110 VanDerWaalsContact OG-CG 3.31Å; S108-R110 WeakPolarHBondContact OG-CG 3.47Å; S108-R110 PolarHBondContact OG-NE 3.38Å; R110-L151 HydrophobicContact CB-CD1 4.32Å; R110-Y163 HydrophobicContact CG-CD1 4.01Å; R110-Y163 HydrophobicContact CG-CG 4.36Å; R110-W164 CarbonylContact C-O 3.5Å; R110-W164 WeakPolarHBondContact CA-O 3.17Å; R110-W164 WeakPolarHBondContact CB-O 3.39Å |
| 111 | A | 96.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 147.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | I103 A106 E115 I116 W164 | I103-A111 HydrophobicContact CG1-CB 4.15Å; A106-A111 HydrophobicContact CB-CB 4.48Å; A111-E115 HydrophobicContact CB-CB 4.22Å; A111-I116 HydrophobicContact CB-CD1 4.38Å; A111-I116 HydrophobicContact CB-CG1 3.85Å; A111-W164 PolarHBondContact N-O 2.93Å; A111-W164 WeakPolarHBondContact O-CB 3.41Å; A111-W164 PolarHBondContact O-N 3.12Å |
| 112 | T | 96.4 | Very high | 95.7 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 163.8 | 166.8 | 64.4 | 0 | 0 | 0 | 0 | 110.4 | A114 E115 I116 Y163 | T112-A114 PolarHBondContact O-N 3.17Å; T112-E115 WeakPolarHBondContact CA-OE2 3.48Å; T112-E115 VanDerWaalsContact CB-OE2 3.22Å; T112-E115 WeakPolarHBondContact CB-OE2 3.45Å; T112-E115 VanDerWaalsContact CG2-OE2 3.28Å; T112-E115 WeakPolarHBondContact CG2-OE2 3.42Å; T112-E115 PolarHBondContact N-OE2 3.46Å; T112-E115 PolarHBondContact O-N 2.84Å; T112-E115 PolarHBondContact OG1-N 2.97Å; T112-E115 PolarHBondContact OG1-OE2 3.3Å; T112-I116 WeakPolarHBondContact O-CG1 3.23Å; T112-I116 PolarHBondContact O-N 3.17Å; T112-Y163 HydrophobicContact CG2-CD1 3.68Å; T112-Y163 HydrophobicContact CG2-CE1 3.6Å; T112-Y163 HydrophobicContact CG2-CG 4.42Å |
| 113 | L | 97.2 | Very high | 95.6 | Very high | 49 Ų | 49 | 59.3 Ų | 59.3 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.6 | -31.1 | 174.6 | -176.7 | 63.9 | 0 | 0 | 0 | 113 | Y117 V138 R139 L142 | L113-Y117 HydrophobicContact CD1-CD1 4.34Å; L113-Y117 HydrophobicContact CD1-CE1 3.61Å; L113-Y117 HydrophobicContact CD1-CE2 4.32Å; L113-Y117 HydrophobicContact CD2-CE2 4.27Å; L113-Y117 HydrophobicContact CG-CE1 4.07Å; L113-Y117 HydrophobicContact CG-CE2 3.86Å; L113-Y117 WeakPolarHBondContact O-CD2 3.37Å; L113-Y117 PolarHBondContact O-N 3.3Å; L113-Y117 VanDerWaalsContact O-N 3.17Å; L113-V138 HydrophobicContact CD1-CG1 4.14Å; L113-R139 HydrophobicContact CD1-CG 3.98Å; L113-R139 HydrophobicContact CD2-CG 3.86Å; L113-L142 HydrophobicContact CD1-CD1 3.66Å |
| 114 | A | 96.2 | Very high | 95.4 | Very high | 55 Ų | 55 | 60.6 Ų | 60.6 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71.6 | -46.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | T112 I116 Y117 Q118 | T112-A114 PolarHBondContact O-N 3.17Å; A114-I116 VanDerWaalsContact C-N 3.33Å; A114-I116 PolarHBondContact O-N 2.88Å; A114-Y117 WeakPolarHBondContact O-CB 3.21Å; A114-Y117 PolarHBondContact O-N 2.89Å; A114-Y117 VanDerWaalsContact O-N 3.13Å; A114-Q118 WeakPolarHBondContact O-CG 3.49Å; A114-Q118 PolarHBondContact O-N 3.18Å |
| 115 | E | 96.9 | Very high | 95.3 | Very high | 87 Ų | 87 | 64.1 Ų | 64.1 | 41% | 0.407 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 176.6 | -70.8 | 154.9 | 142.5 | 0 | 0 | 111.2 | A111 T112 Y117 Q118 F119 | A111-E115 HydrophobicContact CB-CB 4.22Å; T112-E115 WeakPolarHBondContact CA-OE2 3.48Å; T112-E115 VanDerWaalsContact CB-OE2 3.22Å; T112-E115 WeakPolarHBondContact CB-OE2 3.45Å; T112-E115 VanDerWaalsContact CG2-OE2 3.28Å; T112-E115 WeakPolarHBondContact CG2-OE2 3.42Å; T112-E115 PolarHBondContact N-OE2 3.46Å; T112-E115 PolarHBondContact O-N 2.84Å; T112-E115 PolarHBondContact OG1-N 2.97Å; T112-E115 PolarHBondContact OG1-OE2 3.3Å; E115-Y117 VanDerWaalsContact C-N 3.35Å; E115-Y117 PolarHBondContact O-N 2.97Å; E115-Q118 PolarHBondContact O-N 3.07Å; E115-F119 WeakPolarHBondContact O-CB 3.35Å; E115-F119 PolarHBondContact O-N 3.22Å |
| 116 | I | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 173.2 | -64.4 | 164.1 | 0 | 0 | 0 | 111 | I99 A102 A111 T112 A114 L120 V138 L142 | I99-I116 HydrophobicContact CG1-CG2 4.31Å; I99-I116 HydrophobicContact CG2-CD1 4.26Å; A102-I116 HydrophobicContact CB-CG1 4.3Å; A102-I116 HydrophobicContact CB-CG2 4.35Å; A111-I116 HydrophobicContact CB-CD1 4.38Å; A111-I116 HydrophobicContact CB-CG1 3.85Å; T112-I116 WeakPolarHBondContact O-CG1 3.23Å; T112-I116 PolarHBondContact O-N 3.17Å; A114-I116 VanDerWaalsContact C-N 3.33Å; A114-I116 PolarHBondContact O-N 2.88Å; I116-L120 HydrophobicContact CG2-CD1 4.2Å; I116-L120 VanDerWaalsContact O-CG 3.28Å; I116-L120 WeakPolarHBondContact O-CG 3.27Å; I116-L120 PolarHBondContact O-N 3.31Å; I116-V138 HydrophobicContact CG2-CG1 3.99Å; I116-L142 HydrophobicContact CD1-CD1 4.17Å; I116-L142 HydrophobicContact CD1-CD2 4.21Å |
| 117 | Y | 97.4 | Very high | 95.1 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 12% | 0.122 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 176.1 | -65.4 | -21.2 | 0 | 0 | 0 | 112.3 | L113 A114 E115 Q121 W134 K135 V138 R139 | L113-Y117 HydrophobicContact CD1-CD1 4.34Å; L113-Y117 HydrophobicContact CD1-CE1 3.61Å; L113-Y117 HydrophobicContact CD1-CE2 4.32Å; L113-Y117 HydrophobicContact CD2-CE2 4.27Å; L113-Y117 HydrophobicContact CG-CE1 4.07Å; L113-Y117 HydrophobicContact CG-CE2 3.86Å; L113-Y117 WeakPolarHBondContact O-CD2 3.37Å; L113-Y117 PolarHBondContact O-N 3.3Å; L113-Y117 VanDerWaalsContact O-N 3.17Å; A114-Y117 WeakPolarHBondContact O-CB 3.21Å; A114-Y117 PolarHBondContact O-N 2.89Å; A114-Y117 VanDerWaalsContact O-N 3.13Å; E115-Y117 VanDerWaalsContact C-N 3.35Å; E115-Y117 PolarHBondContact O-N 2.97Å; Y117-Q121 WeakPolarHBondContact O-CG 3.19Å; Y117-Q121 PolarHBondContact O-N 2.8Å; Y117-Q121 PolarHBondContact O-NE2 3.41Å; Y117-W134 HydrophobicContact CD1-CH2 4.13Å; Y117-W134 AromaticContact CD1-CZ3 3.7Å; Y117-W134 HydrophobicContact CD1-CZ3 3.7Å; Y117-W134 HydrophobicContact CE1-CZ3 4.31Å; Y117-W134 HydrophobicContact CG-CH2 4.29Å; Y117-W134 HydrophobicContact CG-CZ3 4.32Å; Y117-K135 HydrophobicContact CD1-CG 4.06Å; Y117-K135 HydrophobicContact CD2-CD 4.06Å; Y117-K135 HydrophobicContact CD2-CG 4.45Å; Y117-K135 HydrophobicContact CE1-CB 3.86Å; Y117-K135 HydrophobicContact CE1-CD 4.35Å; Y117-K135 HydrophobicContact CE1-CG 3.75Å; Y117-K135 HydrophobicContact CE2-CB 4.45Å; Y117-K135 HydrophobicContact CE2-CD 3.87Å; Y117-K135 HydrophobicContact CE2-CG 4.17Å; Y117-K135 HydrophobicContact CG-CD 4.39Å; Y117-K135 HydrophobicContact CG-CG 4.4Å; Y117-K135 PolarHBondContact OH-O 3.12Å; Y117-V138 HydrophobicContact CD1-CG1 4.35Å; Y117-V138 HydrophobicContact CE1-CB 4.15Å; Y117-V138 HydrophobicContact CE1-CG1 3.92Å; Y117-R139 WeakPolarHBondContact OH-CG 3.27Å; Y117-R139 PolarHBondContact OH-NH1 2.96Å |
| 118 | Q | 96.9 | Very high | 95 | Very high | 104 Ų | 104 | 61.1 Ų | 61.1 | 49% | 0.486 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.8 | -52.8 | 178.5 | -74.6 | 169.1 | -47.4 | 0 | 0 | 110.8 | A114 E115 L120 Q121 E122 | A114-Q118 WeakPolarHBondContact O-CG 3.49Å; A114-Q118 PolarHBondContact O-N 3.18Å; E115-Q118 PolarHBondContact O-N 3.07Å; Q118-L120 VanDerWaalsContact C-N 3.29Å; Q118-L120 PolarHBondContact O-N 3.45Å; Q118-Q121 PolarHBondContact O-N 2.94Å; Q118-E122 WeakPolarHBondContact O-CB 3.44Å; Q118-E122 WeakPolarHBondContact O-CG 3.45Å; Q118-E122 PolarHBondContact O-N 3.14Å |
| 119 | F | 97.1 | Very high | 94.9 | Very high | 32 Ų | 32 | 59.9 Ų | 59.9 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -52.6 | -43.4 | 177.5 | 179.4 | -91.8 | 0 | 0 | 0 | 113.2 | M101 A102 N105 E115 E122 R123 | M101-F119 HydrophobicContact CB-CE1 4.12Å; M101-F119 HydrophobicContact CB-CZ 4.33Å; A102-F119 VanDerWaalsContact CA-CD1 3.48Å; A102-F119 HydrophobicContact CB-CB 4.11Å; A102-F119 HydrophobicContact CB-CD1 3.37Å; A102-F119 HydrophobicContact CB-CE1 3.89Å; A102-F119 HydrophobicContact CB-CG 3.8Å; N105-F119 HydrophobicContact CB-CD2 4.29Å; N105-F119 HydrophobicContact CB-CE2 3.53Å; N105-F119 HydrophobicContact CB-CZ 4.1Å; E115-F119 WeakPolarHBondContact O-CB 3.35Å; E115-F119 PolarHBondContact O-N 3.22Å; F119-E122 PolarHBondContact O-N 3.48Å; F119-R123 WeakPolarHBondContact O-CB 3.3Å; F119-R123 PolarHBondContact O-N 2.88Å |
| 120 | L | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 178.8 | -66.7 | 178.6 | 0 | 0 | 0 | 112.6 | L98 I116 Q118 F124 F127 W134 V138 | L98-L120 HydrophobicContact CB-CD2 3.78Å; L98-L120 HydrophobicContact CD2-CD2 4.07Å; L98-L120 HydrophobicContact CG-CD2 4.39Å; I116-L120 HydrophobicContact CG2-CD1 4.2Å; I116-L120 VanDerWaalsContact O-CG 3.28Å; I116-L120 WeakPolarHBondContact O-CG 3.27Å; I116-L120 PolarHBondContact O-N 3.31Å; Q118-L120 VanDerWaalsContact C-N 3.29Å; Q118-L120 PolarHBondContact O-N 3.45Å; L120-F124 HydrophobicContact CD2-CD2 4.27Å; L120-F124 HydrophobicContact CD2-CE2 4.18Å; L120-F124 PolarHBondContact O-N 3.08Å; L120-F127 HydrophobicContact CB-CD2 3.8Å; L120-F127 HydrophobicContact CB-CE2 4.29Å; L120-F127 HydrophobicContact CB-CG 4.31Å; L120-F127 HydrophobicContact CD2-CE2 4.46Å; L120-F127 WeakPolarHBondContact O-CD2 3.23Å; L120-W134 HydrophobicContact CD1-CZ3 4.35Å; L120-V138 HydrophobicContact CD1-CG2 4.05Å |
| 121 | Q | 95 | Very high | 94.7 | Very high | 56 Ų | 56 | 62.6 Ų | 62.6 | 26% | 0.262 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 174.9 | -76.8 | 166.2 | 97.1 | 0 | 0 | 112.1 | Y117 Q118 F127 R128 W134 | Y117-Q121 WeakPolarHBondContact O-CG 3.19Å; Y117-Q121 PolarHBondContact O-N 2.8Å; Y117-Q121 PolarHBondContact O-NE2 3.41Å; Q118-Q121 PolarHBondContact O-N 2.94Å; Q121-F127 HydrophobicContact CG-CB 4.09Å; Q121-F127 WeakPolarHBondContact CG-O 3.44Å; Q121-R128 HydrophobicContact CB-CG 4.22Å; Q121-R128 WeakPolarHBondContact O-CG 3.48Å; Q121-R128 PolarHBondContact O-NE 3.44Å; Q121-R128 PolarHBondContact O-NH2 3.23Å; Q121-W134 HydrophobicContact CG-CH2 4.13Å; Q121-W134 HydrophobicContact CG-CZ2 4.08Å |
| 122 | E | 95.5 | Very high | 94.7 | Very high | 131 Ų | 131 | 66.2 Ų | 66.2 | 61% | 0.612 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.7 | -46.8 | 177.3 | -74.7 | 161.5 | -157.5 | 0 | 0 | 110.8 | Q118 F119 R128 | Q118-E122 WeakPolarHBondContact O-CB 3.44Å; Q118-E122 WeakPolarHBondContact O-CG 3.45Å; Q118-E122 PolarHBondContact O-N 3.14Å; F119-E122 PolarHBondContact O-N 3.48Å; E122-R128 PolarHBondContact O-NH2 3.42Å |
| 123 | R | 92.6 | Very high | 94.6 | Very high | 106 Ų | 106 | 66.8 Ų | 66.8 | 40% | 0.4 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -83.5 | -29.4 | -173.5 | -161.9 | 172.1 | -133.1 | -132.5 | 0.6 | 115.4 | F119 | F119-R123 WeakPolarHBondContact O-CB 3.3Å; F119-R123 PolarHBondContact O-N 2.88Å |
| 124 | F | 92.7 | Very high | 94.5 | Very high | 29 Ų | 29 | 64.7 Ų | 64.7 | 13% | 0.127 | 33% | 0.33 | C | S | . | . | trans | -133.3 | 121.2 | -177.9 | -45.4 | -80.7 | 0 | 0 | 0 | 111.8 | P91 Y93 L98 M101 L120 C126 F127 | P91-F124 HydrophobicContact CB-CD1 3.72Å; P91-F124 HydrophobicContact CB-CE1 3.58Å; P91-F124 HydrophobicContact CB-CG 4.43Å; P91-F124 HydrophobicContact CB-CZ 4.19Å; P91-F124 HydrophobicContact CG-CB 4.48Å; P91-F124 HydrophobicContact CG-CD1 3.72Å; P91-F124 HydrophobicContact CG-CD2 4.36Å; P91-F124 HydrophobicContact CG-CE1 3.95Å; P91-F124 HydrophobicContact CG-CG 3.93Å; P91-F124 HydrophobicContact CG-CZ 4.35Å; Y93-F124 HydrophobicContact CD2-CE1 4.43Å; Y93-F124 HydrophobicContact CD2-CZ 4.19Å; L98-F124 HydrophobicContact CD2-CD2 4.08Å; L98-F124 HydrophobicContact CD2-CE2 3.43Å; L98-F124 VanDerWaalsContact CD2-CE2 3.43Å; L98-F124 HydrophobicContact CD2-CZ 3.82Å; M101-F124 HydrophobicContact CE-CZ 4.15Å; L120-F124 HydrophobicContact CD2-CD2 4.27Å; L120-F124 HydrophobicContact CD2-CE2 4.18Å; L120-F124 PolarHBondContact O-N 3.08Å; F124-C126 PolarHBondContact O-N 3Å; F124-F127 HydrophobicContact CB-CD2 3.83Å; F124-F127 HydrophobicContact CB-CE2 4.01Å; F124-F127 HydrophobicContact CD2-CD2 4.18Å; F124-F127 AromaticContact CD2-CE2 3.93Å; F124-F127 HydrophobicContact CD2-CE2 3.93Å; F124-F127 HydrophobicContact CG-CD2 4.45Å; F124-F127 HydrophobicContact CG-CE2 4.27Å; F124-F127 PolarHBondContact O-N 2.85Å | ||
| 125 | E | 91.7 | Very high | 94.6 | Very high | 128 Ų | 128 | 64.2 Ų | 64.2 | 60% | 0.598 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -64.5 | -28.7 | -172.7 | -47.6 | -153.6 | 127 | 0 | 0 | 112.8 | F127 R128 | E125-F127 PolarHBondContact O-N 3.34Å; E125-R128 WeakPolarHBondContact O-CB 3.48Å; E125-R128 PolarHBondContact O-N 2.96Å; E125-R128 IonicContact OE1-CZ 2.66Å; E125-R128 IonicContact OE1-NH1 3.83Å; E125-R128 PolarHBondContact OE1-NH1 3.2Å |
| 126 | C | 90.4 | Very high | 94.6 | Very high | 50 Ų | 50 | 64.6 Ų | 64.6 | 34% | 0.338 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -59.3 | -17.1 | 177.8 | 65.2 | 0 | 0 | 0 | 0 | 114.7 | D89 F124 | D89-C126 PolarHBondContact O-SG 3.39Å; F124-C126 PolarHBondContact O-N 3Å |
| 127 | F | 93.7 | Very high | 94.6 | Very high | 11 Ų | 11 | 66.3 Ų | 66.3 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -94.1 | -8.8 | 175.9 | -61.4 | -58 | 0 | 0 | 0 | 114.1 | Y95 L98 L120 Q121 F124 E125 W134 | Y95-F127 HydrophobicContact CE1-CE1 4.42Å; L98-F127 HydrophobicContact CD1-CE2 4.15Å; L98-F127 HydrophobicContact CD1-CZ 3.78Å; L120-F127 HydrophobicContact CB-CD2 3.8Å; L120-F127 HydrophobicContact CB-CE2 4.29Å; L120-F127 HydrophobicContact CB-CG 4.31Å; L120-F127 HydrophobicContact CD2-CE2 4.46Å; L120-F127 WeakPolarHBondContact O-CD2 3.23Å; Q121-F127 HydrophobicContact CG-CB 4.09Å; Q121-F127 WeakPolarHBondContact CG-O 3.44Å; F124-F127 HydrophobicContact CB-CD2 3.83Å; F124-F127 HydrophobicContact CB-CE2 4.01Å; F124-F127 HydrophobicContact CD2-CD2 4.18Å; F124-F127 AromaticContact CD2-CE2 3.93Å; F124-F127 HydrophobicContact CD2-CE2 3.93Å; F124-F127 HydrophobicContact CG-CD2 4.45Å; F124-F127 HydrophobicContact CG-CE2 4.27Å; F124-F127 PolarHBondContact O-N 2.85Å; E125-F127 PolarHBondContact O-N 3.34Å; F127-W134 HydrophobicContact CB-CD2 4.4Å; F127-W134 HydrophobicContact CB-CH2 4.26Å; F127-W134 HydrophobicContact CB-CZ2 3.91Å; F127-W134 HydrophobicContact CD1-CB 4.03Å; F127-W134 AromaticContact CD1-CD2 3.56Å; F127-W134 HydrophobicContact CD1-CD2 3.56Å; F127-W134 AromaticContact CD1-CE2 3.97Å; F127-W134 AromaticContact CD1-CE3 3.9Å; F127-W134 HydrophobicContact CD1-CE3 3.9Å; F127-W134 AromaticContact CD1-CG 3.63Å; F127-W134 HydrophobicContact CD1-CG 3.63Å; F127-W134 HydrophobicContact CE1-CB 4.02Å; F127-W134 HydrophobicContact CE1-CD2 4.29Å; F127-W134 HydrophobicContact CE1-CE3 4.43Å; F127-W134 HydrophobicContact CE1-CG 4.13Å; F127-W134 HydrophobicContact CG-CD2 4.31Å; F127-W134 HydrophobicContact CG-CE3 4.47Å; F127-W134 VanDerWaalsContact O-CZ2 3.27Å; F127-W134 WeakPolarHBondContact O-CZ2 3.5Å; F127-W134 PolarHBondContact O-NE1 2.95Å |
| 128 | R | 93.4 | Very high | 94.6 | Very high | 127 Ų | 127 | 64.9 Ų | 64.9 | 48% | 0.479 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -80.2 | -14.7 | -179 | -59.3 | -179.4 | -174.6 | 151.3 | 5.7 | 114.1 | Q121 E122 E125 | Q121-R128 HydrophobicContact CB-CG 4.22Å; Q121-R128 WeakPolarHBondContact O-CG 3.48Å; Q121-R128 PolarHBondContact O-NE 3.44Å; Q121-R128 PolarHBondContact O-NH2 3.23Å; E122-R128 PolarHBondContact O-NH2 3.42Å; E125-R128 WeakPolarHBondContact O-CB 3.48Å; E125-R128 PolarHBondContact O-N 2.96Å; E125-R128 IonicContact OE1-CZ 2.66Å; E125-R128 IonicContact OE1-NH1 3.83Å; E125-R128 PolarHBondContact OE1-NH1 3.2Å |
| 129 | G | 90.8 | Very high | 94.6 | Very high | 39 Ų | 39 | 65 Ų | 65 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -69.2 | 174.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y131 Q132 | G129-Y131 VanDerWaalsContact C-N 3.26Å; G129-Y131 PolarHBondContact O-N 2.94Å; G129-Q132 PolarHBondContact O-NE2 3.09Å |
| 130 | S | 92.9 | Very high | 94.6 | Very high | 123 Ų | 123 | 68 Ų | 68 | 86% | 0.86 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -60.5 | -33.5 | 177.7 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | Q132 | S130-Q132 WeakPolarHBondContact O-CG 3.48Å; S130-Q132 PolarHBondContact O-N 2.83Å; S130-Q132 PolarHBondContact O-NE2 3.38Å |
| 131 | Y | 92.8 | Very high | 94.7 | Very high | 140 Ų | 140 | 69.1 Ų | 69.1 | 55% | 0.549 | 35% | 0.345 | S | S | . | . | trans | -64.4 | 118.7 | 178 | 178.3 | -114.1 | 0 | 0 | 0 | 112.5 | G129 G133 W134 | G129-Y131 VanDerWaalsContact C-N 3.26Å; G129-Y131 PolarHBondContact O-N 2.94Å; Y131-G133 VanDerWaalsContact CZ-CA 3.48Å; Y131-W134 PolarHBondContact O-NE1 3Å | ||
| 132 | Q | 94.6 | Very high | 94.8 | Very high | 79 Ų | 79 | 66.7 Ų | 66.7 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | trans | -105.9 | 1.5 | -178.5 | -58.4 | -55.5 | -62 | 0 | 0 | 114.1 | G129 S130 W134 K135 | G129-Q132 PolarHBondContact O-NE2 3.09Å; S130-Q132 WeakPolarHBondContact O-CG 3.48Å; S130-Q132 PolarHBondContact O-N 2.83Å; S130-Q132 PolarHBondContact O-NE2 3.38Å; Q132-W134 PolarHBondContact O-N 2.85Å; Q132-K135 VanDerWaalsContact O-CB 3.28Å; Q132-K135 WeakPolarHBondContact O-CB 3.47Å; Q132-K135 PolarHBondContact O-N 3.39Å | ||
| 133 | G | 95.3 | Very high | 94.8 | Very high | 25 Ų | 25 | 64.8 Ų | 64.8 | 26% | 0.258 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y131 K135 N136 S137 | Y131-G133 VanDerWaalsContact CZ-CA 3.48Å; G133-K135 PolarHBondContact O-N 2.96Å; G133-N136 WeakPolarHBondContact O-CA 3.28Å; G133-N136 WeakPolarHBondContact O-CB 3.43Å; G133-N136 PolarHBondContact O-N 2.71Å; G133-S137 PolarHBondContact O-N 2.97Å |
| 134 | W | 95.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 2% | 0.023 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.4 | -30.5 | 171.8 | 64.2 | -97 | 0 | 0 | 0 | 113.3 | Y95 Y117 L120 Q121 F127 Y131 Q132 N136 S137 V138 | Y95-W134 HydrophobicContact CE1-CB 4.38Å; Y117-W134 HydrophobicContact CD1-CH2 4.13Å; Y117-W134 AromaticContact CD1-CZ3 3.7Å; Y117-W134 HydrophobicContact CD1-CZ3 3.7Å; Y117-W134 HydrophobicContact CE1-CZ3 4.31Å; Y117-W134 HydrophobicContact CG-CH2 4.29Å; Y117-W134 HydrophobicContact CG-CZ3 4.32Å; L120-W134 HydrophobicContact CD1-CZ3 4.35Å; Q121-W134 HydrophobicContact CG-CH2 4.13Å; Q121-W134 HydrophobicContact CG-CZ2 4.08Å; F127-W134 HydrophobicContact CB-CD2 4.4Å; F127-W134 HydrophobicContact CB-CH2 4.26Å; F127-W134 HydrophobicContact CB-CZ2 3.91Å; F127-W134 HydrophobicContact CD1-CB 4.03Å; F127-W134 AromaticContact CD1-CD2 3.56Å; F127-W134 HydrophobicContact CD1-CD2 3.56Å; F127-W134 AromaticContact CD1-CE2 3.97Å; F127-W134 AromaticContact CD1-CE3 3.9Å; F127-W134 HydrophobicContact CD1-CE3 3.9Å; F127-W134 AromaticContact CD1-CG 3.63Å; F127-W134 HydrophobicContact CD1-CG 3.63Å; F127-W134 HydrophobicContact CE1-CB 4.02Å; F127-W134 HydrophobicContact CE1-CD2 4.29Å; F127-W134 HydrophobicContact CE1-CE3 4.43Å; F127-W134 HydrophobicContact CE1-CG 4.13Å; F127-W134 HydrophobicContact CG-CD2 4.31Å; F127-W134 HydrophobicContact CG-CE3 4.47Å; F127-W134 VanDerWaalsContact O-CZ2 3.27Å; F127-W134 WeakPolarHBondContact O-CZ2 3.5Å; F127-W134 PolarHBondContact O-NE1 2.95Å; Y131-W134 PolarHBondContact O-NE1 3Å; Q132-W134 PolarHBondContact O-N 2.85Å; W134-N136 PolarHBondContact O-N 3.08Å; W134-S137 WeakPolarHBondContact O-CB 3.2Å; W134-S137 PolarHBondContact O-N 3.34Å; W134-S137 VanDerWaalsContact O-N 3.17Å; W134-V138 HydrophobicContact CE3-CG2 4.15Å; W134-V138 HydrophobicContact CZ3-CG2 4.5Å; W134-V138 WeakPolarHBondContact O-CG2 3.2Å; W134-V138 PolarHBondContact O-N 3.31Å |
| 135 | K | 97.3 | Very high | 94.8 | Very high | 45 Ų | 45 | 64.9 Ų | 64.9 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.3 | -28.7 | 174.5 | -69.1 | -176.6 | 169.4 | 161.5 | 0 | 111.6 | Y117 Q132 G133 R139 | Y117-K135 HydrophobicContact CD1-CG 4.06Å; Y117-K135 HydrophobicContact CD2-CD 4.06Å; Y117-K135 HydrophobicContact CD2-CG 4.45Å; Y117-K135 HydrophobicContact CE1-CB 3.86Å; Y117-K135 HydrophobicContact CE1-CD 4.35Å; Y117-K135 HydrophobicContact CE1-CG 3.75Å; Y117-K135 HydrophobicContact CE2-CB 4.45Å; Y117-K135 HydrophobicContact CE2-CD 3.87Å; Y117-K135 HydrophobicContact CE2-CG 4.17Å; Y117-K135 HydrophobicContact CG-CD 4.39Å; Y117-K135 HydrophobicContact CG-CG 4.4Å; Y117-K135 PolarHBondContact OH-O 3.12Å; Q132-K135 VanDerWaalsContact O-CB 3.28Å; Q132-K135 WeakPolarHBondContact O-CB 3.47Å; Q132-K135 PolarHBondContact O-N 3.39Å; G133-K135 PolarHBondContact O-N 2.96Å; K135-R139 WeakPolarHBondContact O-CG 3.45Å; K135-R139 PolarHBondContact O-N 2.95Å; K135-R139 PolarHBondContact O-NH1 3.19Å; K135-R139 VanDerWaalsContact O-NH1 3.14Å |
| 136 | N | 97.3 | Very high | 94.9 | Very high | 95 Ų | 95 | 65.8 Ų | 65.8 | 51% | 0.508 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.9 | -47.4 | 173 | -162.5 | 41.9 | 0 | 0 | 0 | 111.1 | G133 W134 V138 R139 H140 | G133-N136 WeakPolarHBondContact O-CA 3.28Å; G133-N136 WeakPolarHBondContact O-CB 3.43Å; G133-N136 PolarHBondContact O-N 2.71Å; W134-N136 PolarHBondContact O-N 3.08Å; N136-V138 VanDerWaalsContact C-N 3.27Å; N136-V138 PolarHBondContact O-N 2.86Å; N136-R139 PolarHBondContact O-N 3.49Å; N136-R139 PolarHBondContact OD1-NH2 3.2Å; N136-H140 WeakPolarHBondContact O-CB 3.37Å; N136-H140 PolarHBondContact O-N 2.93Å |
| 137 | S | 96.9 | Very high | 95 | Very high | 36 Ų | 36 | 64 Ų | 64 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.5 | -40.4 | 175.7 | -48.2 | 0 | 0 | 0 | 0 | 112 | Y95 G133 W134 N141 | Y95-S137 VanDerWaalsContact CE2-CB 3.43Å; Y95-S137 VanDerWaalsContact CZ-CB 3.44Å; G133-S137 PolarHBondContact O-N 2.97Å; W134-S137 WeakPolarHBondContact O-CB 3.2Å; W134-S137 PolarHBondContact O-N 3.34Å; W134-S137 VanDerWaalsContact O-N 3.17Å; S137-N141 WeakPolarHBondContact O-CB 3.4Å; S137-N141 PolarHBondContact O-N 3.14Å; S137-N141 PolarHBondContact O-ND2 3.18Å |
| 138 | V | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.8 | -51.1 | 174.3 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | Y95 I99 L113 I116 Y117 L120 W134 N136 H140 N141 L142 | Y95-V138 HydrophobicContact CD1-CG2 3.96Å; Y95-V138 HydrophobicContact CE1-CG2 4.27Å; I99-V138 HydrophobicContact CD1-CG1 4.22Å; I99-V138 HydrophobicContact CG1-CG1 4.26Å; L113-V138 HydrophobicContact CD1-CG1 4.14Å; I116-V138 HydrophobicContact CG2-CG1 3.99Å; Y117-V138 HydrophobicContact CD1-CG1 4.35Å; Y117-V138 HydrophobicContact CE1-CB 4.15Å; Y117-V138 HydrophobicContact CE1-CG1 3.92Å; L120-V138 HydrophobicContact CD1-CG2 4.05Å; W134-V138 HydrophobicContact CE3-CG2 4.15Å; W134-V138 HydrophobicContact CZ3-CG2 4.5Å; W134-V138 WeakPolarHBondContact O-CG2 3.2Å; W134-V138 PolarHBondContact O-N 3.31Å; N136-V138 VanDerWaalsContact C-N 3.27Å; N136-V138 PolarHBondContact O-N 2.86Å; V138-H140 VanDerWaalsContact C-N 3.33Å; V138-H140 PolarHBondContact O-N 2.92Å; V138-N141 PolarHBondContact O-N 3.23Å; V138-L142 HydrophobicContact CG1-CD1 4.17Å; V138-L142 WeakPolarHBondContact O-CG 3.48Å; V138-L142 PolarHBondContact O-N 3.46Å |
| 139 | R | 98.2 | Very high | 95.2 | Very high | 106 Ų | 106 | 60.6 Ų | 60.6 | 40% | 0.4 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.2 | -44 | 178.2 | -70.8 | -175.6 | -52 | -95.6 | 9.1 | 112.3 | L113 Y117 K135 N136 L142 S143 | L113-R139 HydrophobicContact CD1-CG 3.98Å; L113-R139 HydrophobicContact CD2-CG 3.86Å; Y117-R139 WeakPolarHBondContact OH-CG 3.27Å; Y117-R139 PolarHBondContact OH-NH1 2.96Å; K135-R139 WeakPolarHBondContact O-CG 3.45Å; K135-R139 PolarHBondContact O-N 2.95Å; K135-R139 PolarHBondContact O-NH1 3.19Å; K135-R139 VanDerWaalsContact O-NH1 3.14Å; N136-R139 PolarHBondContact O-N 3.49Å; N136-R139 PolarHBondContact OD1-NH2 3.2Å; R139-L142 PolarHBondContact O-N 2.93Å; R139-S143 PolarHBondContact O-N 2.98Å; R139-S143 PolarHBondContact O-OG 3.2Å; R139-S143 VanDerWaalsContact O-OG 3.14Å |
| 140 | H | 97.4 | Very high | 95.4 | Very high | 96 Ų | 96 | 64.5 Ų | 64.5 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 176.4 | 166.4 | 73.3 | 0 | 0 | 0 | 111.6 | N136 V138 L142 S143 L144 | N136-H140 WeakPolarHBondContact O-CB 3.37Å; N136-H140 PolarHBondContact O-N 2.93Å; V138-H140 VanDerWaalsContact C-N 3.33Å; V138-H140 PolarHBondContact O-N 2.92Å; H140-L142 PolarHBondContact O-N 3.27Å; H140-S143 PolarHBondContact O-N 3.03Å; H140-S143 PolarHBondContact O-OG 3.23Å; H140-S143 VanDerWaalsContact O-OG 3.07Å; H140-L144 WeakPolarHBondContact CE1-CD1 3.28Å; H140-L144 VanDerWaalsContact O-CB 3.23Å; H140-L144 WeakPolarHBondContact O-CB 3.43Å; H140-L144 PolarHBondContact O-N 3.32Å |
| 141 | N | 97.1 | Very high | 95.4 | Very high | 24 Ų | 24 | 61.1 Ų | 61.1 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65 | -36.9 | 178.7 | -86.2 | -96.6 | 0 | 0 | 0 | 112.6 | I96 I99 S137 V138 S143 N145 | I96-N141 WeakPolarHBondContact CG1-OD1 3.45Å; I99-N141 HydrophobicContact CD1-CB 3.8Å; S137-N141 WeakPolarHBondContact O-CB 3.4Å; S137-N141 PolarHBondContact O-N 3.14Å; S137-N141 PolarHBondContact O-ND2 3.18Å; V138-N141 PolarHBondContact O-N 3.23Å; N141-S143 VanDerWaalsContact C-N 3.29Å; N141-S143 PolarHBondContact O-N 3.04Å; N141-N145 PolarHBondContact O-N 3.44Å; N141-N145 PolarHBondContact O-ND2 3.4Å |
| 142 | L | 96.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.4 | -32.2 | 174.9 | -73.8 | 168.7 | 0 | 0 | 0 | 113.1 | I99 L113 I116 V138 R139 H140 F148 W164 | I99-L142 HydrophobicContact CD1-CD2 4.35Å; I99-L142 HydrophobicContact CD1-CG 4.17Å; I99-L142 HydrophobicContact CG2-CD2 3.69Å; L113-L142 HydrophobicContact CD1-CD1 3.66Å; I116-L142 HydrophobicContact CD1-CD1 4.17Å; I116-L142 HydrophobicContact CD1-CD2 4.21Å; V138-L142 HydrophobicContact CG1-CD1 4.17Å; V138-L142 WeakPolarHBondContact O-CG 3.48Å; V138-L142 PolarHBondContact O-N 3.46Å; R139-L142 PolarHBondContact O-N 2.93Å; H140-L142 PolarHBondContact O-N 3.27Å; L142-F148 HydrophobicContact CD2-CB 4.06Å; L142-F148 HydrophobicContact CD2-CD1 4.32Å; L142-F148 HydrophobicContact CD2-CD2 4.16Å; L142-F148 HydrophobicContact CD2-CG 3.92Å; L142-W164 HydrophobicContact CB-CD2 4.31Å; L142-W164 HydrophobicContact CB-CE3 4.26Å; L142-W164 HydrophobicContact CB-CH2 4.01Å; L142-W164 HydrophobicContact CB-CZ2 4.08Å; L142-W164 HydrophobicContact CB-CZ3 4.11Å; L142-W164 HydrophobicContact CD1-CD2 4.38Å; L142-W164 HydrophobicContact CD1-CG 4.44Å; L142-W164 HydrophobicContact CD2-CB 4.2Å; L142-W164 HydrophobicContact CD2-CD2 3.9Å; L142-W164 HydrophobicContact CD2-CE3 4.07Å; L142-W164 HydrophobicContact CD2-CG 3.96Å; L142-W164 HydrophobicContact CG-CD2 4.43Å; L142-W164 WeakPolarHBondContact O-CZ3 3.5Å |
| 143 | S | 95.7 | Very high | 94.9 | Very high | 91 Ų | 91 | 58.8 Ų | 58.8 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -94.9 | -19.8 | 179.6 | 53.6 | 0 | 0 | 0 | 0 | 115 | R139 H140 N141 | R139-S143 PolarHBondContact O-N 2.98Å; R139-S143 PolarHBondContact O-OG 3.2Å; R139-S143 VanDerWaalsContact O-OG 3.14Å; H140-S143 PolarHBondContact O-N 3.03Å; H140-S143 PolarHBondContact O-OG 3.23Å; H140-S143 VanDerWaalsContact O-OG 3.07Å; N141-S143 VanDerWaalsContact C-N 3.29Å; N141-S143 PolarHBondContact O-N 3.04Å |
| 144 | L | 93.7 | Very high | 94.3 | Very high | 101 Ų | 101 | 63.4 Ų | 63.4 | 53% | 0.529 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -85.9 | -31.3 | -177.7 | 180 | 147.8 | 0 | 0 | 0 | 113.1 | H140 | H140-L144 WeakPolarHBondContact CE1-CD1 3.28Å; H140-L144 VanDerWaalsContact O-CB 3.23Å; H140-L144 WeakPolarHBondContact O-CB 3.43Å; H140-L144 PolarHBondContact O-N 3.32Å |
| 145 | N | 93 | Very high | 93.4 | Very high | 36 Ų | 36 | 68.4 Ų | 68.4 | 19% | 0.193 | 38% | 0.382 | C | S | . | . | trans | -109.2 | 123 | -170.2 | -55.7 | -87.5 | 0 | 0 | 0 | 111.1 | I96 N141 C147 F148 | I96-N145 HydrophobicContact CD1-CB 4.2Å; I96-N145 WeakPolarHBondContact CD1-ND2 3.14Å; I96-N145 WeakPolarHBondContact CD1-OD1 3.45Å; N141-N145 PolarHBondContact O-N 3.44Å; N141-N145 PolarHBondContact O-ND2 3.4Å; N145-C147 VanDerWaalsContact CB-SG 3.51Å; N145-C147 PolarHBondContact O-N 3.37Å; N145-F148 HydrophobicContact CB-CD2 4.3Å; N145-F148 PolarHBondContact O-N 3.03Å; N145-F148 VanDerWaalsContact O-N 3.08Å | ||
| 146 | D | 92.1 | Very high | 92.3 | Very high | 148 Ų | 148 | 69.8 Ų | 69.8 | 79% | 0.791 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -18.4 | 179.7 | -53.4 | -46.3 | 0 | 0 | 0 | 113.7 | F148 | D146-F148 PolarHBondContact O-N 2.97Å; D146-F148 VanDerWaalsContact O-N 3.14Å |
| 147 | C | 93.1 | Very high | 91.3 | Very high | 11 Ų | 11 | 75.4 Ų | 75.4 | 7% | 0.074 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -17.1 | 174.6 | 64.9 | 0 | 0 | 0 | 0 | 114.3 | N145 I166 E167 A170 F174 | N145-C147 VanDerWaalsContact CB-SG 3.51Å; N145-C147 PolarHBondContact O-N 3.37Å; C147-I166 WeakPolarHBondContact O-CA 3.35Å; C147-E167 PolarHBondContact O-N 3.2Å; C147-A170 HydrophobicContact CB-CB 3.42Å; C147-A170 VanDerWaalsContact CB-CB 3.42Å; C147-F174 HydrophobicContact CB-CE2 3.87Å |
| 148 | F | 95.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 79.3 Ų | 79.3 | 4% | 0.044 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 103.5 | 178.7 | -60.8 | -55 | 0 | 0 | 0 | 111.3 | I96 I99 V100 I103 L142 N145 D146 W164 T165 I166 | I96-F148 HydrophobicContact CB-CE2 4.32Å; I96-F148 HydrophobicContact CB-CZ 4.29Å; I96-F148 HydrophobicContact CG1-CE2 4.31Å; I96-F148 HydrophobicContact CG2-CE2 3.89Å; I96-F148 HydrophobicContact CG2-CZ 3.65Å; I99-F148 HydrophobicContact CB-CE1 3.99Å; I99-F148 HydrophobicContact CB-CE2 4.3Å; I99-F148 HydrophobicContact CB-CZ 3.62Å; I99-F148 HydrophobicContact CD1-CE2 4.08Å; I99-F148 HydrophobicContact CD1-CZ 4.25Å; I99-F148 HydrophobicContact CG2-CD1 3.92Å; I99-F148 HydrophobicContact CG2-CE1 3.36Å; I99-F148 HydrophobicContact CG2-CE2 4.12Å; I99-F148 HydrophobicContact CG2-CZ 3.46Å; I99-F148 VanDerWaalsContact CG2-CZ 3.46Å; V100-F148 HydrophobicContact CG2-CE1 3.75Å; V100-F148 HydrophobicContact CG2-CZ 3.92Å; I103-F148 HydrophobicContact CD1-CD1 4.02Å; I103-F148 HydrophobicContact CD1-CE1 4.21Å; L142-F148 HydrophobicContact CD2-CB 4.06Å; L142-F148 HydrophobicContact CD2-CD1 4.32Å; L142-F148 HydrophobicContact CD2-CD2 4.16Å; L142-F148 HydrophobicContact CD2-CG 3.92Å; N145-F148 HydrophobicContact CB-CD2 4.3Å; N145-F148 PolarHBondContact O-N 3.03Å; N145-F148 VanDerWaalsContact O-N 3.08Å; D146-F148 PolarHBondContact O-N 2.97Å; D146-F148 VanDerWaalsContact O-N 3.14Å; F148-W164 HydrophobicContact CB-CE3 4.12Å; F148-W164 HydrophobicContact CB-CZ3 4.47Å; F148-T165 WeakPolarHBondContact CA-O 3.42Å; F148-I166 HydrophobicContact CE1-CG1 4.42Å |
| 149 | V | 95.3 | Very high | 89.4 | Confident | 58 Ų | 58 | 81.2 Ų | 81.2 | 35% | 0.352 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.8 | -177.5 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | L151 W164 T165 E167 | V149-L151 HydrophobicContact CG1-CD2 4.36Å; V149-L151 PolarHBondContact O-N 3.14Å; V149-W164 WeakPolarHBondContact O-CA 3.21Å; V149-T165 HydrophobicContact CB-CG2 3.96Å; V149-T165 PolarHBondContact N-O 3.3Å; V149-T165 PolarHBondContact O-N 3.17Å; V149-E167 HydrophobicContact CG2-CB 3.97Å; V149-E167 HydrophobicContact CG2-CG 4.47Å |
| 150 | K | 96.1 | Very high | 88.7 | Confident | 120 Ų | 120 | 86.1 Ų | 86.1 | 52% | 0.522 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 110.7 | 175.4 | -177 | -170.2 | 172.7 | -166.3 | 0 | 110.2 | H162 W164 | K150-H162 WeakPolarHBondContact CE-CD2 3.4Å; K150-H162 VanDerWaalsContact CE-CE1 3.41Å; K150-H162 WeakPolarHBondContact CE-CE1 3.4Å; K150-H162 WeakPolarHBondContact CE-ND1 3.43Å; K150-H162 WeakPolarHBondContact CE-NE2 3.42Å; K150-H162 HydrophobicContact CG-CB 3.99Å; K150-H162 PolarHBondContact NZ-NE2 2.89Å; K150-W164 HydrophobicContact CB-CE3 4.09Å; K150-W164 HydrophobicContact CB-CH2 4.07Å; K150-W164 HydrophobicContact CB-CZ3 3.77Å; K150-W164 HydrophobicContact CG-CH2 4.35Å; K150-W164 HydrophobicContact CG-CZ2 4.5Å; K150-W164 HydrophobicContact CG-CZ3 4.49Å |
| 151 | L | 93.4 | Very high | 88.4 | Confident | 52 Ų | 52 | 83.6 Ų | 83.6 | 27% | 0.272 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 140.8 | 178.6 | -61.1 | 176.7 | 0 | 0 | 0 | 111.9 | R110 V149 Y163 T165 | R110-L151 HydrophobicContact CB-CD1 4.32Å; V149-L151 HydrophobicContact CG1-CD2 4.36Å; V149-L151 PolarHBondContact O-N 3.14Å; L151-Y163 PolarHBondContact N-O 2.94Å; L151-T165 HydrophobicContact CD1-CG2 3.74Å; L151-T165 HydrophobicContact CD2-CG2 4.04Å; L151-T165 HydrophobicContact CG-CG2 3.86Å |
| 152 | P | 90.1 | Very high | 88.2 | Confident | 115 Ų | 115 | 86.4 Ų | 86.4 | 75% | 0.747 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 147.1 | 171.6 | 29.3 | -34.3 | 0 | 0 | 0 | 111 | ||
| 153 | K | 86.4 | Confident | 88.2 | Confident | 55 Ų | 55 | 89 Ų | 89 | 24% | 0.239 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 142.6 | 166.8 | -77.7 | -165.1 | 179.4 | 172.2 | 0 | 110 | A155 G159 K160 G161 Y163 | K153-A155 PolarHBondContact O-N 3.49Å; K153-G159 WeakPolarHBondContact CD-O 3.46Å; K153-G159 PolarHBondContact NZ-O 3.12Å; K153-K160 PolarHBondContact NZ-O 2.86Å; K153-G161 WeakPolarHBondContact CD-O 3.42Å; K153-G161 WeakPolarHBondContact CE-O 3.33Å; K153-G161 PolarHBondContact NZ-O 3.5Å; K153-G161 VanDerWaalsContact NZ-O 3.14Å; K153-Y163 HydrophobicContact CD-CD2 4.34Å; K153-Y163 HydrophobicContact CD-CE2 4.13Å; K153-Y163 HydrophobicContact CG-CD2 3.72Å; K153-Y163 HydrophobicContact CG-CE2 3.87Å |
| 154 | V | 82.9 | Confident | 88.2 | Confident | 122 Ų | 122 | 86.5 Ų | 86.5 | 74% | 0.739 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 122.6 | 170 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | G156 R157 | V154-G156 PolarHBondContact O-N 2.95Å; V154-R157 PolarHBondContact O-N 3.43Å |
| 155 | A | 75.7 | Confident | 88.3 | Confident | 112 Ų | 112 | 83.2 Ų | 83.2 | 93% | 0.926 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | K153 | K153-A155 PolarHBondContact O-N 3.49Š|
| 156 | G | 74.2 | Confident | 88.4 | Confident | 74 Ų | 74 | 82 Ų | 82 | 76% | 0.763 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -7.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | V154 | V154-G156 PolarHBondContact O-N 2.95Š|
| 157 | R | 75.7 | Confident | 88.4 | Confident | 212 Ų | 212 | 78.5 Ų | 78.5 | 80% | 0.8 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -101.8 | 115.2 | 177.8 | -70.8 | -169.3 | -177.7 | -178.5 | 1.9 | 111.2 | V154 G159 | V154-R157 PolarHBondContact O-N 3.43Å; R157-G159 PolarHBondContact O-N 3Å |
| 158 | A | 75.2 | Confident | 88 | Confident | 118 Ų | 118 | 83.4 Ų | 83.4 | 98% | 0.975 | 49% | 0.488 | S | S | * | . | trans | -66.7 | 89.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 159 | G | 79.9 | Confident | 87.3 | Confident | 40 Ų | 40 | 86.3 Ų | 86.3 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | trans | -153.1 | 117.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K153 R157 | K153-G159 WeakPolarHBondContact CD-O 3.46Å; K153-G159 PolarHBondContact NZ-O 3.12Å; R157-G159 PolarHBondContact O-N 3Å | ||
| 160 | K | 84.1 | Confident | 86.1 | Confident | 209 Ų | 209 | 83.9 Ų | 83.9 | 91% | 0.909 | 50% | 0.495 | S | S | * | . | trans | -55.1 | 147 | -176.9 | -170.5 | 170.8 | -177.7 | 172.7 | 0 | 112.9 | K153 | K153-K160 PolarHBondContact NZ-O 2.86Š| ||
| 161 | G | 89.7 | Confident | 84.7 | Confident | 43 Ų | 43 | 79.2 Ų | 79.2 | 44% | 0.443 | 48% | 0.479 | S | S | . | . | S | Bend | trans | 73.7 | -177.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K153 | K153-G161 WeakPolarHBondContact CD-O 3.42Å; K153-G161 WeakPolarHBondContact CE-O 3.33Å; K153-G161 PolarHBondContact NZ-O 3.5Å; K153-G161 VanDerWaalsContact NZ-O 3.14Å |
| 162 | H | 94.2 | Very high | 83.1 | Confident | 83 Ų | 83 | 81.3 Ų | 81.3 | 38% | 0.384 | 50% | 0.497 | S | S | . | . | trans | -105.9 | 162.3 | -177.2 | -54.7 | 84.1 | 0 | 0 | 0 | 110.4 | K150 | K150-H162 WeakPolarHBondContact CE-CD2 3.4Å; K150-H162 VanDerWaalsContact CE-CE1 3.41Å; K150-H162 WeakPolarHBondContact CE-CE1 3.4Å; K150-H162 WeakPolarHBondContact CE-ND1 3.43Å; K150-H162 WeakPolarHBondContact CE-NE2 3.42Å; K150-H162 HydrophobicContact CG-CB 3.99Å; K150-H162 PolarHBondContact NZ-NE2 2.89Å | ||
| 163 | Y | 95.6 | Very high | 81.8 | Confident | 60 Ų | 60 | 78.9 Ų | 78.9 | 24% | 0.235 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 144.3 | 165 | -74.2 | -70 | 0 | 0 | 0 | 109.6 | R110 T112 L151 K153 | R110-Y163 HydrophobicContact CG-CD1 4.01Å; R110-Y163 HydrophobicContact CG-CG 4.36Å; T112-Y163 HydrophobicContact CG2-CD1 3.68Å; T112-Y163 HydrophobicContact CG2-CE1 3.6Å; T112-Y163 HydrophobicContact CG2-CG 4.42Å; L151-Y163 PolarHBondContact N-O 2.94Å; K153-Y163 HydrophobicContact CD-CD2 4.34Å; K153-Y163 HydrophobicContact CD-CE2 4.13Å; K153-Y163 HydrophobicContact CG-CD2 3.72Å; K153-Y163 HydrophobicContact CG-CE2 3.87Å |
| 164 | W | 96.9 | Very high | 80.6 | Confident | 38 Ų | 38 | 77.6 Ų | 77.6 | 14% | 0.144 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 136.5 | 171 | -63.3 | 93.3 | 0 | 0 | 0 | 108.6 | I103 R110 A111 L142 F148 V149 K150 | I103-W164 HydrophobicContact CD1-CB 4.34Å; R110-W164 CarbonylContact C-O 3.5Å; R110-W164 WeakPolarHBondContact CA-O 3.17Å; R110-W164 WeakPolarHBondContact CB-O 3.39Å; A111-W164 PolarHBondContact N-O 2.93Å; A111-W164 WeakPolarHBondContact O-CB 3.41Å; A111-W164 PolarHBondContact O-N 3.12Å; L142-W164 HydrophobicContact CB-CD2 4.31Å; L142-W164 HydrophobicContact CB-CE3 4.26Å; L142-W164 HydrophobicContact CB-CH2 4.01Å; L142-W164 HydrophobicContact CB-CZ2 4.08Å; L142-W164 HydrophobicContact CB-CZ3 4.11Å; L142-W164 HydrophobicContact CD1-CD2 4.38Å; L142-W164 HydrophobicContact CD1-CG 4.44Å; L142-W164 HydrophobicContact CD2-CB 4.2Å; L142-W164 HydrophobicContact CD2-CD2 3.9Å; L142-W164 HydrophobicContact CD2-CE3 4.07Å; L142-W164 HydrophobicContact CD2-CG 3.96Å; L142-W164 HydrophobicContact CG-CD2 4.43Å; L142-W164 WeakPolarHBondContact O-CZ3 3.5Å; F148-W164 HydrophobicContact CB-CE3 4.12Å; F148-W164 HydrophobicContact CB-CZ3 4.47Å; V149-W164 WeakPolarHBondContact O-CA 3.21Å; K150-W164 HydrophobicContact CB-CE3 4.09Å; K150-W164 HydrophobicContact CB-CH2 4.07Å; K150-W164 HydrophobicContact CB-CZ3 3.77Å; K150-W164 HydrophobicContact CG-CH2 4.35Å; K150-W164 HydrophobicContact CG-CZ2 4.5Å; K150-W164 HydrophobicContact CG-CZ3 4.49Å |
| 165 | T | 95.5 | Very high | 79.5 | Confident | 32 Ų | 32 | 75.2 Ų | 75.2 | 20% | 0.196 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 167.8 | 173.1 | -169 | 0 | 0 | 0 | 0 | 109.4 | K109 F148 V149 L151 | K109-T165 PolarHBondContact O-OG1 3.48Å; F148-T165 WeakPolarHBondContact CA-O 3.42Å; V149-T165 HydrophobicContact CB-CG2 3.96Å; V149-T165 PolarHBondContact N-O 3.3Å; V149-T165 PolarHBondContact O-N 3.17Å; L151-T165 HydrophobicContact CD1-CG2 3.74Å; L151-T165 HydrophobicContact CD2-CG2 4.04Å; L151-T165 HydrophobicContact CG-CG2 3.86Å |
| 166 | I | 94.8 | Very high | 78.2 | Confident | 10 Ų | 10 | 74.9 Ų | 74.9 | 5% | 0.051 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 134.6 | 174.5 | -59.2 | 156.7 | 0 | 0 | 0 | 107.6 | V100 I103 E104 C147 F148 A171 | V100-I166 HydrophobicContact CB-CD1 4.29Å; V100-I166 HydrophobicContact CG1-CD1 4.06Å; V100-I166 HydrophobicContact CG2-CD1 4.2Å; V100-I166 HydrophobicContact CG2-CG1 4.33Å; I103-I166 HydrophobicContact CB-CD1 3.89Å; I103-I166 HydrophobicContact CB-CG1 4.08Å; I103-I166 HydrophobicContact CD1-CG1 4.06Å; I103-I166 HydrophobicContact CG2-CD1 3.85Å; I103-I166 HydrophobicContact CG2-CG1 3.87Å; E104-I166 HydrophobicContact CG-CD1 4.07Å; E104-I166 WeakPolarHBondContact OE1-CD1 3.48Å; C147-I166 WeakPolarHBondContact O-CA 3.35Å; F148-I166 HydrophobicContact CE1-CG1 4.42Å; I166-A171 HydrophobicContact CG2-CB 3.85Å |
| 167 | E | 91.8 | Very high | 77.1 | Confident | 74 Ų | 74 | 81.4 Ų | 81.4 | 35% | 0.346 | 44% | 0.439 | S | S | . | . | trans | -61 | 128.8 | 170.3 | -170.4 | -156.9 | -179.4 | 0 | 0 | 109.5 | C147 V149 S169 A170 A171 | C147-E167 PolarHBondContact O-N 3.2Å; V149-E167 HydrophobicContact CG2-CB 3.97Å; V149-E167 HydrophobicContact CG2-CG 4.47Å; E167-S169 PolarHBondContact O-N 3.26Å; E167-S169 VanDerWaalsContact O-N 3.12Å; E167-S169 WeakPolarHBondContact OE1-CB 3.43Å; E167-A170 HydrophobicContact CB-CB 4.01Å; E167-A170 WeakPolarHBondContact O-CA 3.44Å; E167-A170 WeakPolarHBondContact O-CB 3.15Å; E167-A170 PolarHBondContact O-N 3.4Å; E167-A171 PolarHBondContact O-N 2.79Å | ||
| 168 | P | 85.2 | Confident | 75.8 | Confident | 114 Ų | 114 | 77.1 Ų | 77.1 | 74% | 0.74 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -54.7 | -35 | -178.9 | -28.9 | 36 | 0 | 0 | 0 | 114.2 | A170 A171 | P168-A170 VanDerWaalsContact C-N 3.33Å; P168-A170 PolarHBondContact O-N 3.17Å; P168-A171 PolarHBondContact O-N 3.21Å |
| 169 | S | 80.3 | Confident | 74.6 | Confident | 72 Ų | 72 | 73.6 Ų | 73.6 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.7 | -32.6 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 113.3 | E167 Q173 | E167-S169 PolarHBondContact O-N 3.26Å; E167-S169 VanDerWaalsContact O-N 3.12Å; E167-S169 WeakPolarHBondContact OE1-CB 3.43Å; S169-Q173 PolarHBondContact O-NE2 3.02Å |
| 170 | A | 71.1 | Confident | 73.4 | Confident | 6 Ų | 6 | 73.1 Ų | 73.1 | 5% | 0.05 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -84.1 | -31 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C147 E167 P168 C172 Q173 F174 | C147-A170 HydrophobicContact CB-CB 3.42Å; C147-A170 VanDerWaalsContact CB-CB 3.42Å; E167-A170 HydrophobicContact CB-CB 4.01Å; E167-A170 WeakPolarHBondContact O-CA 3.44Å; E167-A170 WeakPolarHBondContact O-CB 3.15Å; E167-A170 PolarHBondContact O-N 3.4Å; P168-A170 VanDerWaalsContact C-N 3.33Å; P168-A170 PolarHBondContact O-N 3.17Å; A170-C172 VanDerWaalsContact C-N 3.34Å; A170-C172 PolarHBondContact O-N 3.45Å; A170-Q173 WeakPolarHBondContact O-CB 3.42Å; A170-Q173 PolarHBondContact O-N 3.13Å; A170-F174 HydrophobicContact CB-CE2 4.34Å; A170-F174 VanDerWaalsContact O-CD2 3.23Å; A170-F174 WeakPolarHBondContact O-CD2 3.41Å; A170-F174 PolarHBondContact O-N 3.05Å |
| 171 | A | 66.9 | Low | 71.9 | Confident | 22 Ų | 22 | 64.8 Ų | 64.8 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -54.2 | -48.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I166 E167 P168 Q173 F174 F175 | I166-A171 HydrophobicContact CG2-CB 3.85Å; E167-A171 PolarHBondContact O-N 2.79Å; P168-A171 PolarHBondContact O-N 3.21Å; A171-Q173 PolarHBondContact O-N 3.46Å; A171-Q173 VanDerWaalsContact O-N 3.12Å; A171-F174 PolarHBondContact O-N 3.18Å; A171-F174 VanDerWaalsContact O-N 3.09Å; A171-F175 WeakPolarHBondContact O-CD2 3.37Å; A171-F175 PolarHBondContact O-N 3.21Å |
| 172 | C | 57.8 | Low | 70.1 | Confident | 96 Ų | 96 | 71.4 Ų | 71.4 | 65% | 0.649 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.6 | -23.3 | 175.8 | -179.9 | 0 | 0 | 0 | 0 | 113.9 | A170 | A170-C172 VanDerWaalsContact C-N 3.34Å; A170-C172 PolarHBondContact O-N 3.45Å |
| 173 | Q | 63.9 | Low | 68.1 | Low | 65 Ų | 65 | 72.9 Ų | 72.9 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -89.2 | -11.4 | 179.9 | -66.3 | 174.6 | 77.2 | 0 | 0 | 113.9 | S169 A170 A171 K184 | S169-Q173 PolarHBondContact O-NE2 3.02Å; A170-Q173 WeakPolarHBondContact O-CB 3.42Å; A170-Q173 PolarHBondContact O-N 3.13Å; A171-Q173 PolarHBondContact O-N 3.46Å; A171-Q173 VanDerWaalsContact O-N 3.12Å; Q173-K184 VanDerWaalsContact OE1-CD 3.27Å |
| 174 | F | 62.2 | Low | 66.4 | Low | 28 Ų | 28 | 77 Ų | 77 | 12% | 0.123 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -109.6 | -24.7 | 174.8 | -64.7 | -64.8 | 0 | 0 | 0 | 112.9 | I96 V100 C147 A170 A171 V181 | I96-F174 HydrophobicContact CG2-CE1 3.9Å; I96-F174 HydrophobicContact CG2-CE2 4.09Å; I96-F174 HydrophobicContact CG2-CZ 3.66Å; V100-F174 HydrophobicContact CG1-CB 4.26Å; V100-F174 HydrophobicContact CG2-CD2 4.16Å; V100-F174 HydrophobicContact CG2-CG 4.42Å; C147-F174 HydrophobicContact CB-CE2 3.87Å; A170-F174 HydrophobicContact CB-CE2 4.34Å; A170-F174 VanDerWaalsContact O-CD2 3.23Å; A170-F174 WeakPolarHBondContact O-CD2 3.41Å; A170-F174 PolarHBondContact O-N 3.05Å; A171-F174 PolarHBondContact O-N 3.18Å; A171-F174 VanDerWaalsContact O-N 3.09Å; F174-V181 WeakPolarHBondContact O-CA 3.33Å |
| 175 | F | 59.1 | Low | 64.6 | Low | 71 Ų | 71 | 80.6 Ų | 80.6 | 31% | 0.311 | 43% | 0.425 | S | S | . | . | trans | -104.8 | 88.4 | 169.5 | -61.3 | -71.4 | 0 | 0 | 0 | 109.2 | V100 E104 A171 | V100-F175 HydrophobicContact CG1-CD2 4.36Å; V100-F175 HydrophobicContact CG1-CE1 4.23Å; V100-F175 HydrophobicContact CG1-CE2 3.3Å; V100-F175 HydrophobicContact CG1-CZ 3.2Å; E104-F175 HydrophobicContact CB-CZ 4.19Å; E104-F175 HydrophobicContact CG-CD2 4.46Å; E104-F175 HydrophobicContact CG-CE1 4.31Å; E104-F175 HydrophobicContact CG-CE2 3.36Å; E104-F175 HydrophobicContact CG-CZ 3.27Å; A171-F175 WeakPolarHBondContact O-CD2 3.37Å; A171-F175 PolarHBondContact O-N 3.21Å | ||
| 176 | F | 49 | Very low | 63 | Low | 105 Ų | 105 | 90.6 Ų | 90.6 | 46% | 0.461 | 46% | 0.459 | S | S | . | . | trans | -63.1 | 143.7 | 154.4 | -70.8 | -87.6 | 0 | 0 | 0 | 108 | D178 G179 S180 R182 | F176-D178 WeakPolarHBondContact CB-OD1 3.39Å; F176-D178 PolarHBondContact O-N 2.9Å; F176-G179 PolarHBondContact O-N 2.82Å; F176-S180 WeakPolarHBondContact CD2-O 3.42Å; F176-R182 HydrophobicContact CD2-CB 4.12Å; F176-R182 HydrophobicContact CE2-CB 3.96Å | ||
| 177 | E | 50.1 | Low | 61.3 | Low | 212 Ų | 212 | 101.2 Ų | 101.2 | 99% | 0.991 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -5.6 | -169.9 | -150.8 | 163 | 162.2 | 0 | 0 | 113.5 | ||
| 178 | D | 47.7 | Very low | 59.7 | Low | 121 Ų | 121 | 105.8 Ų | 105.8 | 65% | 0.647 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 0.8 | 172.7 | 69.7 | -14 | 0 | 0 | 0 | 114.1 | F176 S180 | F176-D178 WeakPolarHBondContact CB-OD1 3.39Å; F176-D178 PolarHBondContact O-N 2.9Å; D178-S180 VanDerWaalsContact C-N 3.29Å; D178-S180 VanDerWaalsContact CG-OG 3.28Å; D178-S180 PolarHBondContact O-N 3.24Å; D178-S180 WeakPolarHBondContact OD1-CB 3.03Å; D178-S180 PolarHBondContact OD1-N 2.94Å; D178-S180 PolarHBondContact OD1-OG 2.74Å; D178-S180 WeakPolarHBondContact OD2-CB 3.16Å; D178-S180 PolarHBondContact OD2-OG 2.87Å; D178-S180 VanDerWaalsContact OD2-OG 3.08Å |
| 179 | G | 51.6 | Low | 58.1 | Low | 44 Ų | 44 | 111.6 Ų | 111.6 | 45% | 0.454 | 53% | 0.531 | S | S | . | . | S | Bend | trans | 78.7 | 6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F176 V181 | F176-G179 PolarHBondContact O-N 2.82Å; G179-V181 PolarHBondContact O-N 3.46Å |
| 180 | S | 54.5 | Low | 56.7 | Low | 30 Ų | 30 | 113.6 Ų | 113.6 | 21% | 0.21 | 55% | 0.546 | C | S | . | . | trans | -80.1 | 108.1 | 178.1 | 75.8 | 0 | 0 | 0 | 0 | 111.3 | F176 D178 R182 | F176-S180 WeakPolarHBondContact CD2-O 3.42Å; D178-S180 VanDerWaalsContact C-N 3.29Å; D178-S180 VanDerWaalsContact CG-OG 3.28Å; D178-S180 PolarHBondContact O-N 3.24Å; D178-S180 WeakPolarHBondContact OD1-CB 3.03Å; D178-S180 PolarHBondContact OD1-N 2.94Å; D178-S180 PolarHBondContact OD1-OG 2.74Å; D178-S180 WeakPolarHBondContact OD2-CB 3.16Å; D178-S180 PolarHBondContact OD2-OG 2.87Å; D178-S180 VanDerWaalsContact OD2-OG 3.08Å; S180-R182 PolarHBondContact O-N 3.46Å | ||
| 181 | V | 51.5 | Low | 55.7 | Low | 35 Ų | 35 | 120.6 Ų | 120.6 | 21% | 0.212 | 58% | 0.581 | C | S | . | * | trans | -77.7 | 72.8 | 175.6 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | A97 F174 G179 | A97-V181 HydrophobicContact CB-CG1 3.69Å; F174-V181 WeakPolarHBondContact O-CA 3.33Å; G179-V181 PolarHBondContact O-N 3.46Å | ||
| 182 | R | 52 | Low | 54.9 | Low | 181 Ų | 181 | 129.1 Ų | 129.1 | 68% | 0.683 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 137.1 | 179.7 | -73.8 | -177.5 | 150.2 | -154.4 | -7.1 | 111.2 | F176 S180 | F176-R182 HydrophobicContact CD2-CB 4.12Å; F176-R182 HydrophobicContact CE2-CB 3.96Å; S180-R182 PolarHBondContact O-N 3.46Å |
| 183 | R | 53.5 | Low | 54.1 | Low | 115 Ų | 115 | 130.9 Ų | 130.9 | 43% | 0.434 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -88.8 | 134 | -177.7 | -57.3 | 178.7 | 82.2 | 68.6 | -22.4 | 110.1 | S94 | S94-R183 PolarHBondContact OG-NH1 2.84Š|
| 184 | K | 59.6 | Low | 53.2 | Low | 146 Ų | 146 | 133.9 Ų | 133.9 | 64% | 0.635 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 129 | 174.8 | -168 | 173.6 | -168.2 | 172.5 | 0 | 111.3 | Q173 R186 | Q173-K184 VanDerWaalsContact OE1-CD 3.27Å; K184-R186 PolarHBondContact O-N 2.82Å |
| 185 | P | 59.2 | Low | 52.3 | Low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 134.2 | 172 | -24.6 | 34.5 | 0 | 0 | 0 | 111.3 | R187 | P185-R187 PolarHBondContact O-N 3.48Š|
| 186 | R | 60.9 | Low | 51.4 | Low | 241 Ų | 241 | 143.1 Ų | 143.1 | 91% | 0.909 | 70% | 0.703 | S | S | * | * | trans | -72.3 | 115.3 | 174.4 | -156.2 | -172.3 | -56.6 | -108.2 | 7.6 | 107.6 | K184 L188 | K184-R186 PolarHBondContact O-N 2.82Å; R186-L188 PolarHBondContact O-N 2.8Å | ||
| 187 | R | 59.6 | Low | 51.3 | Low | 233 Ų | 233 | 143 Ų | 143 | 88% | 0.879 | 71% | 0.711 | S | S | * | * | trans | -56.1 | 123.7 | 177.8 | -72.4 | -172.1 | 177 | -172.5 | -0.6 | 109.6 | P185 R189 | P185-R187 PolarHBondContact O-N 3.48Å; R187-R189 PolarHBondContact O-N 3.01Å | ||
| 188 | L | 58.8 | Low | 51.2 | Low | 171 Ų | 171 | 140.1 Ų | 140.1 | 90% | 0.895 | 70% | 0.702 | S | S | * | * | trans | -61 | 126.2 | 170.9 | -156.4 | 75.7 | 0 | 0 | 0 | 107.8 | R186 S190 | R186-L188 PolarHBondContact O-N 2.8Å; L188-S190 PolarHBondContact O-N 2.89Å | ||
| 189 | R | 51 | Low | 51 | Low | 235 Ų | 235 | 137.6 Ų | 137.6 | 89% | 0.887 | 71% | 0.705 | S | S | * | * | trans | -72 | 115.5 | 175 | -67.4 | -175.1 | -135.3 | 158.4 | 4.5 | 107.8 | R187 I191 | R187-R189 PolarHBondContact O-N 3.01Å; R189-I191 PolarHBondContact O-N 2.98Å | ||
| 190 | S | 50.6 | Low | 50.7 | Low | 115 Ų | 115 | 142.4 Ų | 142.4 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -61.4 | 121.5 | 175.9 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | L188 | L188-S190 PolarHBondContact O-N 2.89Š| ||
| 191 | I | 51.1 | Low | 50.2 | Low | 153 Ų | 153 | 148 Ų | 148 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -84.7 | 120.9 | 170.1 | -62.6 | 177.9 | 0 | 0 | 0 | 107.1 | R189 | R189-I191 PolarHBondContact O-N 2.98Š| ||
| 192 | K | 48.3 | Very low | 49.7 | Very low | 200 Ų | 200 | 156 Ų | 156 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | trans | -96.8 | 101.1 | -175.8 | -156.7 | 176.2 | -172.6 | -177.7 | 0 | 109.1 | ||||
| 193 | T | 42.9 | Very low | 49.3 | Very low | 134 Ų | 134 | 151.9 Ų | 151.9 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -77.4 | 131.9 | 175 | 44.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 194 | S | 44.8 | Very low | 48.9 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -113.1 | 135.4 | 173.1 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 195 | A | 43.2 | Very low | 48.3 | Very low | 94 Ų | 94 | 148.6 Ų | 148.6 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -139.7 | 121.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 196 | Y | 40 | Very low | 47.6 | Very low | 199 Ų | 199 | 151.5 Ų | 151.5 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | -170.2 | 89.8 | 166.1 | -160.1 | -92.2 | 0 | 0 | 0 | 107.8 | ||||
| 197 | V | 46.8 | Very low | 47 | Very low | 104 Ų | 104 | 147.7 Ų | 147.7 | 63% | 0.63 | 81% | 0.807 | S | S | * | * | 71.7 | 154.1 | 86.3 | -51.4 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 198 | D | 47 | Very low | 46.2 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 77.7 | 131.4 | 178.5 | -53.4 | -20.5 | 0 | 0 | 0 | 116.8 | ||||
| 199 | G | 43.9 | Very low | 45.4 | Very low | 69 Ų | 69 | 138.5 Ų | 138.5 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | -169.3 | 155.5 | -8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 200 | V | 44.9 | Very low | 44.9 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | -170.9 | 163.2 | 67.1 | -84.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 201 | N | 43.9 | Very low | 44.4 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -56.3 | 155.7 | -173 | -50 | -75.3 | 0 | 0 | 0 | 118.2 | ||||
| 202 | F | 42.7 | Very low | 44 | Very low | 205 Ų | 205 | 137.4 Ų | 137.4 | 90% | 0.899 | 79% | 0.786 | S | S | * | * | -165.5 | 131.6 | 108.9 | -118.4 | -85 | 0 | 0 | 0 | 114 | |||||
| 203 | A | 43.3 | Very low | 43.4 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | 40.9 | 121.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 204 | A | 43.5 | Very low | 43.3 | Very low | 92 Ų | 92 | 137 Ų | 137 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -85.2 | 173 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 205 | P | 47.4 | Very low | 42.9 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | -147.7 | 161.7 | 80.3 | 40.6 | -23 | 0 | 0 | 0 | 118.3 | |||||
| 206 | E | 46 | Very low | 42.9 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 65.7 | 119.2 | 142.6 | 70.2 | -147.6 | 141.5 | 0 | 0 | 126.1 | ||||
| 207 | N | 46.8 | Very low | 42.8 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | 81.2 | 139.6 | 154.8 | -94.9 | -3 | 0 | 0 | 0 | 122 | ||||
| 208 | P | 43.2 | Very low | 42.5 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -128.9 | 122 | -147.8 | 35.6 | -15 | 0 | 0 | 0 | 115 | ||||
| 209 | A | 41.4 | Very low | 41.8 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -160.6 | 72.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 210 | H | 42 | Very low | 41.3 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -176.4 | 111.8 | 147.3 | -110.6 | -64.7 | 0 | 0 | 0 | 111.9 | K212 | H210-K212 HydrophobicContact CB-CG 4.42Å; H210-K212 WeakPolarHBondContact ND1-CE 3.28Å; H210-K212 PolarHBondContact O-N 2.71Å | ||
| 211 | I | 39 | Very low | 40.7 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | -81 | 105.5 | 157.9 | -62.5 | 174.5 | 0 | 0 | 0 | 106.4 | ||||
| 212 | K | 43.7 | Very low | 40.8 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | trans | -121.8 | 136.6 | 167.6 | -74.8 | -176.2 | 179.9 | 176.4 | 0 | 108.4 | H210 A214 | H210-K212 HydrophobicContact CB-CG 4.42Å; H210-K212 WeakPolarHBondContact ND1-CE 3.28Å; H210-K212 PolarHBondContact O-N 2.71Å; K212-A214 PolarHBondContact O-N 3.11Å | ||
| 213 | Y | 34.8 | Very low | 41.2 | Very low | 230 Ų | 230 | 139.7 Ų | 139.7 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 121.9 | 177.2 | -74.9 | -99.3 | 0 | 0 | 0 | 110.7 | ||
| 214 | A | 40.3 | Very low | 41.5 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 133.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K212 | K212-A214 PolarHBondContact O-N 3.11Š|
| 215 | Q | 37.3 | Very low | 41.9 | Very low | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 137.7 | -178.8 | -66 | -82.6 | -38.7 | 0 | 0 | 111 | K217 | Q215-K217 PolarHBondContact O-N 3.49Š|
| 216 | P | 42.7 | Very low | 41.7 | Very low | 109 Ų | 109 | 148.8 Ų | 148.8 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | -78.3 | 112.2 | 164.9 | 30.6 | -29.7 | 0 | 0 | 0 | 110.1 | L218 | P216-L218 PolarHBondContact O-N 3.44Š| ||
| 217 | K | 38.3 | Very low | 41.6 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | trans | -73.8 | 101.2 | 173.2 | -175.2 | -165 | -175.9 | -154.6 | 0 | 109.4 | Q215 E219 | Q215-K217 PolarHBondContact O-N 3.49Å; K217-E219 WeakPolarHBondContact CE-OE2 3.4Å; K217-E219 IonicContact NZ-OE2 2.84Å; K217-E219 PolarHBondContact NZ-OE2 3.33Å; K217-E219 PolarHBondContact O-N 3.02Å | ||
| 218 | L | 41.1 | Very low | 41.4 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -76.9 | 102.8 | 161.9 | -87.9 | 103 | 0 | 0 | 0 | 109.1 | P216 W220 | P216-L218 PolarHBondContact O-N 3.44Å; L218-W220 PolarHBondContact O-N 3.43Å | ||
| 219 | E | 32.1 | Very low | 41.5 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | -78.2 | 107.3 | 169.6 | -167.3 | 160.3 | 130.6 | 0 | 0 | 108.9 | K217 S221 | K217-E219 WeakPolarHBondContact CE-OE2 3.4Å; K217-E219 IonicContact NZ-OE2 2.84Å; K217-E219 PolarHBondContact NZ-OE2 3.33Å; K217-E219 PolarHBondContact O-N 3.02Å; E219-S221 PolarHBondContact O-N 3.45Å | ||
| 220 | W | 32.7 | Very low | 41.5 | Very low | 223 Ų | 223 | 147.3 Ų | 147.3 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -74.9 | 113.3 | 172.4 | -73.9 | 83.9 | 0 | 0 | 0 | 108.9 | L218 Q222 | L218-W220 PolarHBondContact O-N 3.43Å; W220-Q222 PolarHBondContact O-N 3.41Å | ||
| 221 | S | 33.2 | Very low | 41.7 | Very low | 72 Ų | 72 | 147 Ų | 147 | 50% | 0.503 | 76% | 0.764 | S | S | . | * | trans | -64.4 | 128.4 | 167.6 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | E219 S223 | E219-S221 PolarHBondContact O-N 3.45Å; S221-S223 PolarHBondContact O-N 2.78Å; S221-S223 VanDerWaalsContact O-N 3.09Å; S221-S223 PolarHBondContact OG-N 2.66Å; S221-S223 PolarHBondContact OG-OG 3.01Å | ||
| 222 | Q | 44.6 | Very low | 41.4 | Very low | 189 Ų | 189 | 144.4 Ų | 144.4 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -67.9 | -8 | -179.7 | -158.7 | 171.7 | 4.9 | 0 | 0 | 112.9 | W220 | W220-Q222 PolarHBondContact O-N 3.41Š|
| 223 | S | 52.6 | Low | 41.3 | Very low | 66 Ų | 66 | 141.9 Ų | 141.9 | 46% | 0.462 | 77% | 0.768 | S | S | . | * | G | 310 helix | trans | -68.8 | -31.7 | 178.7 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | S221 L225 | S221-S223 PolarHBondContact O-N 2.78Å; S221-S223 VanDerWaalsContact O-N 3.09Å; S221-S223 PolarHBondContact OG-N 2.66Å; S221-S223 PolarHBondContact OG-OG 3.01Å; S223-L225 VanDerWaalsContact C-N 3.26Å; S223-L225 PolarHBondContact O-N 2.89Å |
| 224 | D | 49.9 | Very low | 41.8 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 67% | 0.674 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -82.9 | -5.8 | -162.9 | -61.8 | -9.8 | 0 | 0 | 0 | 113.3 | ||
| 225 | L | 50.2 | Low | 41.8 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -88.7 | 0.9 | -179.8 | -147.4 | 72 | 0 | 0 | 0 | 114 | S223 | S223-L225 VanDerWaalsContact C-N 3.26Å; S223-L225 PolarHBondContact O-N 2.89Å |
| 226 | F | 44.6 | Very low | 41.9 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -123.3 | 1.6 | -169.9 | -144.2 | -101.5 | 0 | 0 | 0 | 116.6 | ||
| 227 | S | 44.3 | Very low | 41.8 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -102.3 | 6.6 | -173 | -64.4 | 0 | 0 | 0 | 0 | 116.7 | T229 | S227-T229 PolarHBondContact O-N 3.14Š| ||
| 228 | Q | 41 | Very low | 42.1 | Very low | 204 Ų | 204 | 139.8 Ų | 139.8 | 95% | 0.953 | 77% | 0.773 | S | S | * | * | trans | -85.7 | 60.4 | 171.2 | -74.3 | -174.9 | 81.4 | 0 | 0 | 112 | ||||
| 229 | T | 46.1 | Very low | 42.3 | Very low | 115 Ų | 115 | 138 Ų | 138 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -117.9 | 116.7 | 168.4 | -57.5 | 0 | 0 | 0 | 0 | 109.6 | S227 | S227-T229 PolarHBondContact O-N 3.14Š| ||
| 230 | A | 42.2 | Very low | 43.1 | Very low | 89 Ų | 89 | 138.9 Ų | 138.9 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | 33.5 | 107.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 231 | T | 45.1 | Very low | 43.7 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 91% | 0.908 | 77% | 0.769 | S | S | * | * | trans | -141.4 | 141.2 | 139.9 | -67.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 232 | C | 33.7 | Very low | 44.6 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -83.3 | 155.1 | -160.9 | -47.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 233 | A | 41.7 | Very low | 44.4 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -137.1 | 137 | 150.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 234 | L | 43.7 | Very low | 44.3 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -87.7 | 130.5 | -162.8 | -64.8 | 160.7 | 0 | 0 | 0 | 112 | ||||
| 235 | G | 40.4 | Very low | 44.2 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -124.9 | 95.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 236 | M | 40.1 | Very low | 44 | Very low | 168 Ų | 168 | 136 Ų | 136 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | -90.4 | 111.8 | 176.9 | -66.9 | 170.1 | 65.7 | 0 | 0 | 109.8 | ||||
| 237 | D | 39.9 | Very low | 44.5 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -137.8 | 160.1 | 140.4 | -144.6 | -25.1 | 0 | 0 | 0 | 110.3 | ||||
| 238 | K | 45.4 | Very low | 45.3 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -96.7 | 169.1 | -159.9 | -63.9 | 160.9 | -177.8 | 166.8 | 0 | 111.1 | ||||
| 239 | S | 44.8 | Very low | 46.5 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | 95 | 127.1 | 156.9 | 89.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 240 | H | 48.1 | Very low | 46.6 | Very low | 166 Ų | 166 | 129 Ų | 129 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 63.3 | 82.6 | 157.8 | -54.7 | -61.3 | 0 | 0 | 0 | 121 | ||||
| 241 | S | 45.8 | Very low | 47.6 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | 41.8 | 97.8 | 119.1 | 59.2 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 242 | T | 52 | Low | 48.3 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | 174.1 | 127.4 | 115.7 | 29.6 | 0 | 0 | 0 | 0 | 110.1 | L244 | T242-L244 PolarHBondContact O-N 3.17Š| |||
| 243 | P | 41.3 | Very low | 49.9 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | trans | -85.2 | 103.8 | 176.6 | 32.2 | -30.8 | 0 | 0 | 0 | 110.4 | ||||
| 244 | L | 50.2 | Low | 51.3 | Low | 155 Ų | 155 | 122.2 Ų | 122.2 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | trans | -87.4 | 131.6 | 164.5 | -69.3 | 179 | 0 | 0 | 0 | 109.9 | T242 L246 | T242-L244 PolarHBondContact O-N 3.17Å; L244-L246 PolarHBondContact O-N 2.63Å | ||
| 245 | S | 47.2 | Very low | 52.7 | Low | 114 Ų | 114 | 118.4 Ų | 118.4 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | -50.4 | 120.3 | -170.2 | -170 | 0 | 0 | 0 | 0 | 113.4 | V247 | S245-V247 PolarHBondContact O-N 3.37Å; S245-V247 VanDerWaalsContact O-N 3.17Å | ||
| 246 | L | 46 | Very low | 54.3 | Low | 164 Ų | 164 | 118.9 Ų | 118.9 | 86% | 0.859 | 70% | 0.698 | S | S | * | * | trans | -67.1 | 110.2 | 167.6 | -102.3 | 69.1 | 0 | 0 | 0 | 109.1 | L244 P248 | L244-L246 PolarHBondContact O-N 2.63Å; L246-P248 WeakPolarHBondContact O-CD 3.22Å | ||
| 247 | V | 54.7 | Low | 55.7 | Low | 123 Ų | 123 | 115.8 Ų | 115.8 | 75% | 0.745 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 120.9 | 165.3 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | S245 | S245-V247 PolarHBondContact O-N 3.37Å; S245-V247 VanDerWaalsContact O-N 3.17Å |
| 248 | P | 63 | Low | 57 | Low | 103 Ų | 103 | 110.3 Ų | 110.3 | 67% | 0.669 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -66 | 145.8 | 175.4 | 28 | -33.9 | 0 | 0 | 0 | 110.1 | L246 C250 | L246-P248 WeakPolarHBondContact O-CD 3.22Å; P248-C250 PolarHBondContact O-N 3.2Å |
| 249 | P | 64.6 | Low | 58.1 | Low | 125 Ų | 125 | 107.6 Ų | 107.6 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 129.4 | 179.4 | 25.9 | -33.7 | 0 | 0 | 0 | 110.5 | A251 | P249-A251 PolarHBondContact O-N 2.69Š|
| 250 | C | 49.3 | Very low | 59.5 | Low | 108 Ų | 108 | 108.2 Ų | 108.2 | 73% | 0.73 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 122.6 | 174.5 | -64.2 | 0 | 0 | 0 | 0 | 110.2 | P248 W268 | P248-C250 PolarHBondContact O-N 3.2Å; C250-W268 HydrophobicContact CB-CZ3 4.48Å |
| 251 | A | 62.5 | Low | 60.2 | Low | 79 Ų | 79 | 103.1 Ų | 103.1 | 65% | 0.653 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 135.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P249 | P249-A251 PolarHBondContact O-N 2.69Š|
| 252 | P | 60.9 | Low | 60.7 | Low | 107 Ų | 107 | 103.4 Ų | 103.4 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 150.3 | 177 | 29 | -34.6 | 0 | 0 | 0 | 111 | V254 | P252-V254 PolarHBondContact O-N 3.04Š|
| 253 | P | 65.7 | Low | 61.9 | Low | 31 Ų | 31 | 103.8 Ų | 103.8 | 20% | 0.201 | 66% | 0.657 | C | S | . | * | P | Polyproline II helix | trans | -62.4 | 135.5 | 177.3 | 26.2 | -34.6 | 0 | 0 | 0 | 111.4 | M265 G266 W268 | P253-M265 HydrophobicContact CB-CB 4.3Å; P253-M265 HydrophobicContact CB-CG 4.43Å; P253-M265 HydrophobicContact CG-CG 4.35Å; P253-M265 HydrophobicContact CG-SD 3.86Å; P253-G266 WeakPolarHBondContact CB-O 3.44Å; P253-W268 HydrophobicContact CG-CZ2 4.5Å |
| 254 | V | 72.4 | Confident | 63.6 | Low | 95 Ų | 95 | 104 Ų | 104 | 58% | 0.576 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 134.8 | 174.9 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | P252 G266 | P252-V254 PolarHBondContact O-N 3.04Å; V254-G266 PolarHBondContact O-N 3.28Å |
| 255 | V | 73.2 | Confident | 64.7 | Low | 82 Ų | 82 | 102.8 Ų | 102.8 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.2 | 119.7 | 171.1 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | L263 W264 M265 | V255-L263 HydrophobicContact CG1-CB 3.96Å; V255-L263 HydrophobicContact CG1-CD2 3.86Å; V255-L263 HydrophobicContact CG1-CG 4.39Å; V255-W264 WeakPolarHBondContact CA-O 3.31Å; V255-M265 HydrophobicContact CG2-CG 3.93Å |
| 256 | H | 74 | Confident | 65.9 | Low | 91 Ų | 91 | 97.8 Ų | 97.8 | 42% | 0.421 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98 | 139 | 173.8 | -72 | -96.6 | 0 | 0 | 0 | 110.3 | L263 W264 | H256-L263 WeakPolarHBondContact O-CA 3.46Å; H256-W264 HydrophobicContact CB-CD2 4.38Å; H256-W264 HydrophobicContact CB-CG 4.49Å; H256-W264 HydrophobicContact CB-CZ2 4.17Å; H256-W264 PolarHBondContact N-O 2.86Å; H256-W264 PolarHBondContact O-N 2.93Å |
| 257 | C | 68.8 | Low | 67 | Low | 102 Ų | 102 | 95 Ų | 95 | 69% | 0.689 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 128.5 | 162.6 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | L263 | C257-L263 HydrophobicContact CB-CD2 3.99Å |
| 258 | A | 68.1 | Low | 67.4 | Low | 37 Ų | 37 | 96.6 Ų | 96.6 | 31% | 0.306 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -82.2 | 157.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | N260 G261 N262 | A258-N260 VanDerWaalsContact CB-OD1 3.24Å; A258-N260 WeakPolarHBondContact CB-OD1 3.43Å; A258-N260 PolarHBondContact O-N 3.23Å; A258-G261 PolarHBondContact O-N 2.8Å; A258-N262 PolarHBondContact N-O 3.02Å |
| 259 | A | 66.8 | Low | 66.9 | Low | 121 Ų | 121 | 99.5 Ų | 99.5 | 100% | 1 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -15.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 260 | N | 74.3 | Confident | 66.2 | Low | 115 Ų | 115 | 101 Ų | 101 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 3.7 | 173.6 | 64.8 | -5.9 | 0 | 0 | 0 | 114 | A258 N262 | A258-N260 VanDerWaalsContact CB-OD1 3.24Å; A258-N260 WeakPolarHBondContact CB-OD1 3.43Å; A258-N260 PolarHBondContact O-N 3.23Å; N260-N262 WeakPolarHBondContact OD1-CB 3.46Å; N260-N262 PolarHBondContact OD1-N 3.5Å; N260-N262 VanDerWaalsContact OD1-N 3.12Å |
| 261 | G | 63.9 | Low | 66.1 | Low | 59 Ų | 59 | 100.9 Ų | 100.9 | 61% | 0.608 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 87.9 | -5.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A258 | A258-G261 PolarHBondContact O-N 2.8Š|
| 262 | N | 57 | Low | 65.8 | Low | 105 Ų | 105 | 103.1 Ų | 103.1 | 56% | 0.561 | 60% | 0.597 | S | S | * | * | trans | -70.5 | 135.6 | 177.5 | -73.3 | 5.3 | 0 | 0 | 0 | 111.2 | A258 N260 | A258-N262 PolarHBondContact N-O 3.02Å; N260-N262 WeakPolarHBondContact OD1-CB 3.46Å; N260-N262 PolarHBondContact OD1-N 3.5Å; N260-N262 VanDerWaalsContact OD1-N 3.12Å | ||
| 263 | L | 75.2 | Confident | 65 | Low | 132 Ų | 132 | 103.2 Ų | 103.2 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 134.1 | 171.2 | -65 | 167.9 | 0 | 0 | 0 | 109.8 | V255 H256 C257 | V255-L263 HydrophobicContact CG1-CB 3.96Å; V255-L263 HydrophobicContact CG1-CD2 3.86Å; V255-L263 HydrophobicContact CG1-CG 4.39Å; H256-L263 WeakPolarHBondContact O-CA 3.46Å; C257-L263 HydrophobicContact CB-CD2 3.99Å |
| 264 | W | 77.5 | Confident | 63.7 | Low | 135 Ų | 135 | 104.3 Ų | 104.3 | 51% | 0.511 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -137 | 146.5 | 172.1 | 66.4 | -74 | 0 | 0 | 0 | 110.7 | V255 H256 | V255-W264 WeakPolarHBondContact CA-O 3.31Å; H256-W264 HydrophobicContact CB-CD2 4.38Å; H256-W264 HydrophobicContact CB-CG 4.49Å; H256-W264 HydrophobicContact CB-CZ2 4.17Å; H256-W264 PolarHBondContact N-O 2.86Å; H256-W264 PolarHBondContact O-N 2.93Å |
| 265 | M | 73.2 | Confident | 62 | Low | 130 Ų | 130 | 107.1 Ų | 107.1 | 64% | 0.64 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.7 | 130.1 | 173.4 | -86.1 | 179.2 | -82.9 | 0 | 0 | 109.8 | P253 V255 | P253-M265 HydrophobicContact CB-CB 4.3Å; P253-M265 HydrophobicContact CB-CG 4.43Å; P253-M265 HydrophobicContact CG-CG 4.35Å; P253-M265 HydrophobicContact CG-SD 3.86Å; V255-M265 HydrophobicContact CG2-CG 3.93Å |
| 266 | G | 72.4 | Confident | 60.4 | Low | 10 Ų | 10 | 111.8 Ų | 111.8 | 10% | 0.103 | 65% | 0.654 | C | S | . | * | P | Polyproline II helix | trans | -63.4 | 161.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P253 V254 | P253-G266 WeakPolarHBondContact CB-O 3.44Å; V254-G266 PolarHBondContact O-N 3.28Å |
| 267 | P | 69.7 | Low | 58.8 | Low | 105 Ų | 105 | 112.7 Ų | 112.7 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 150.4 | 176 | -20.1 | 32.3 | 0 | 0 | 0 | 111.7 | L269 | P267-L269 PolarHBondContact O-N 3.49Å; P267-L269 VanDerWaalsContact O-N 3.1Å |
| 268 | W | 62 | Low | 57.6 | Low | 157 Ų | 157 | 113.4 Ų | 113.4 | 60% | 0.595 | 68% | 0.677 | S | S | * | * | trans | -60.9 | 113.6 | 168.3 | -69.1 | 85.9 | 0 | 0 | 0 | 109.6 | C250 P253 H270 | C250-W268 HydrophobicContact CB-CZ3 4.48Å; P253-W268 HydrophobicContact CG-CZ2 4.5Å; W268-H270 VanDerWaalsContact C-N 3.32Å; W268-H270 VanDerWaalsContact CB-CE1 3.5Å; W268-H270 WeakPolarHBondContact CB-CE1 3.42Å; W268-H270 PolarHBondContact O-N 2.89Å; W268-H270 PolarHBondContact O-ND1 3.24Å | ||
| 269 | L | 53.3 | Low | 55.9 | Low | 164 Ų | 164 | 120.5 Ų | 120.5 | 86% | 0.859 | 71% | 0.705 | S | S | * | * | trans | -66.1 | 92.8 | 171.6 | -109.3 | 84.4 | 0 | 0 | 0 | 109.4 | P267 | P267-L269 PolarHBondContact O-N 3.49Å; P267-L269 VanDerWaalsContact O-N 3.1Å | ||
| 270 | H | 50.3 | Low | 55.2 | Low | 157 Ų | 157 | 121 Ų | 121 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -83.1 | 111.8 | 163.5 | -65.5 | 76.5 | 0 | 0 | 0 | 107 | W268 P272 | W268-H270 VanDerWaalsContact C-N 3.32Å; W268-H270 VanDerWaalsContact CB-CE1 3.5Å; W268-H270 WeakPolarHBondContact CB-CE1 3.42Å; W268-H270 PolarHBondContact O-N 2.89Å; W268-H270 PolarHBondContact O-ND1 3.24Å; H270-P272 VanDerWaalsContact O-CD 3.23Å; H270-P272 WeakPolarHBondContact O-CD 3.5Å | ||
| 271 | S | 46 | Very low | 53.6 | Low | 105 Ų | 105 | 120.7 Ų | 120.7 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | trans | -74.3 | 115.6 | 172.4 | -70 | 0 | 0 | 0 | 0 | 110.1 | A273 | S271-A273 PolarHBondContact O-N 2.93Š| ||
| 272 | P | 56.3 | Low | 52.5 | Low | 126 Ų | 126 | 125.2 Ų | 125.2 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | -81.6 | 86 | 174.5 | 33.7 | -31.4 | 0 | 0 | 0 | 109.5 | H270 G274 | H270-P272 VanDerWaalsContact O-CD 3.23Å; H270-P272 WeakPolarHBondContact O-CD 3.5Å; P272-G274 VanDerWaalsContact C-N 3.34Å; P272-G274 PolarHBondContact O-N 3.37Å | ||
| 273 | A | 44.2 | Very low | 51.4 | Low | 109 Ų | 109 | 127.3 Ų | 127.3 | 90% | 0.901 | 72% | 0.719 | S | S | * | * | trans | -73.4 | 87.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | S271 | S271-A273 PolarHBondContact O-N 2.93Š| ||
| 274 | G | 38.7 | Very low | 49.6 | Very low | 54 Ų | 54 | 126.3 Ų | 126.3 | 56% | 0.557 | 72% | 0.723 | S | S | * | * | trans | 174.3 | 59.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | P272 | P272-G274 VanDerWaalsContact C-N 3.34Å; P272-G274 PolarHBondContact O-N 3.37Å | ||
| 275 | N | 38.1 | Very low | 48 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | trans | 42.3 | 89.5 | 136.6 | -163.2 | 39.8 | 0 | 0 | 0 | 118.5 | ||||
| 276 | M | 39.6 | Very low | 46.4 | Very low | 179 Ų | 179 | 126.5 Ų | 126.5 | 88% | 0.882 | 74% | 0.743 | S | S | * | * | trans | -155.5 | 121.3 | 147 | 41.8 | -159.9 | 73 | 0 | 0 | 113 | ||||
| 277 | S | 40 | Very low | 44.7 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -80.9 | 120.2 | -177.1 | -44.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 278 | S | 43.6 | Very low | 43.1 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 171.2 | 108.8 | 144.2 | 33.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 279 | M | 32.5 | Very low | 42.1 | Very low | 185 Ų | 185 | 134.2 Ų | 134.2 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -102.6 | 135.2 | 162.8 | -61.6 | -176.9 | 87.1 | 0 | 0 | 109.2 | ||||
| 280 | P | 52.2 | Low | 41.8 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -88.4 | 111.4 | 149.1 | 31 | -23.4 | 0 | 0 | 0 | 108.8 | ||||
| 281 | S | 41 | Very low | 41.5 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -88.7 | 130.6 | 161.9 | 171.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 282 | M | 39 | Very low | 41.1 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -162 | 126.6 | 147.6 | -77.8 | -137.1 | 106.2 | 0 | 0 | 112.2 | ||||
| 283 | Q | 35.7 | Very low | 40 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | trans | 52.6 | 109.1 | 146.9 | -72.2 | 139.4 | -26.9 | 0 | 0 | 122.9 | ||||
| 284 | S | 36.3 | Very low | 39.7 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | 32.5 | 137.8 | 110.4 | -159.7 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 285 | P | 43.9 | Very low | 39.5 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | trans | -92.5 | -177.3 | -167.2 | 40.2 | -39.9 | 0 | 0 | 0 | 115.8 | ||||
| 286 | D | 40.2 | Very low | 39.5 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | 92.1 | 144.3 | 177.5 | -65.3 | -30.6 | 0 | 0 | 0 | 117.2 | ||||
| 287 | E | 36.2 | Very low | 39.3 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | 86.8 | 150.9 | -179 | -136.6 | 176 | 149.2 | 0 | 0 | 118.7 | ||||
| 288 | F | 36.3 | Very low | 39.3 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 76.5 | 81.8 | -178.7 | -68.5 | -81.2 | 0 | 0 | 0 | 119.3 | ||||
| 289 | A | 41.8 | Very low | 38.8 | Very low | 87 Ų | 87 | 142.4 Ų | 142.4 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | -59 | 171.4 | 149.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 290 | V | 46.8 | Very low | 39.1 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | 71.4 | 89.3 | 169.6 | -168 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 291 | H | 43.1 | Very low | 38.3 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | -158.6 | 121.7 | 127.3 | -118.3 | -90.4 | 0 | 0 | 0 | 110.9 | |||||
| 292 | Q | 37.5 | Very low | 38.2 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | 66.6 | 110.6 | 163.9 | -52.2 | 174.7 | 85.8 | 0 | 0 | 116.3 | ||||
| 293 | G | 33.6 | Very low | 38.3 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | cis | 114.4 | 111 | 5.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 294 | A | 36.8 | Very low | 38.5 | Very low | 82 Ų | 82 | 141.2 Ų | 141.2 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | 66.2 | 134.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 295 | Y | 35 | Very low | 39.2 | Very low | 228 Ų | 228 | 145.1 Ų | 145.1 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | cis | -126.5 | 116.7 | 28.3 | -73.3 | -101.6 | 0 | 0 | 0 | 114.3 | ||||
| 296 | Y | 37.9 | Very low | 38.9 | Very low | 227 Ų | 227 | 146.1 Ų | 146.1 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -92.7 | 165.4 | 153.7 | -87.9 | -85.2 | 0 | 0 | 0 | 107.4 | ||||
| 297 | S | 36.7 | Very low | 39.2 | Very low | 90 Ų | 90 | 143.4 Ų | 143.4 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | cis | -164.3 | 165.3 | -11.8 | -164.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 298 | S | 39.1 | Very low | 39.7 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 47.2 | 130.7 | 146.6 | -54.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 299 | N | 33.4 | Very low | 40.5 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -37.2 | 136.1 | 156.1 | -55 | -24 | 0 | 0 | 0 | 114 | ||||
| 300 | S | 37.8 | Very low | 40.7 | Very low | 88 Ų | 88 | 145.7 Ų | 145.7 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | -178.5 | 153.4 | 109.4 | -142.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 301 | Y | 37.1 | Very low | 40.7 | Very low | 211 Ų | 211 | 144 Ų | 144 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 62.3 | 101.6 | 159.7 | -57.3 | -59.9 | 0 | 0 | 0 | 121.7 | ||||
| 302 | D | 37.8 | Very low | 41.3 | Very low | 143 Ų | 143 | 142 Ų | 142 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | 32 | 122.4 | 114.4 | -160 | 0.2 | 0 | 0 | 0 | 119.9 | |||||
| 303 | I | 40.6 | Very low | 41.9 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -164.1 | 132.6 | 131.2 | -100.4 | 153.7 | 0 | 0 | 0 | 109.7 | ||||
| 304 | S | 41.5 | Very low | 42.6 | Very low | 97 Ų | 97 | 144 Ų | 144 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -65.4 | 149.1 | 172.9 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 305 | Q | 49.5 | Very low | 43.4 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | -163.4 | 145.2 | 126.8 | -85.5 | -120.3 | -0.2 | 0 | 0 | 112.1 | |||||
| 306 | N | 38.9 | Very low | 43.9 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | trans | -87.1 | 132.4 | -174.1 | 169.6 | 27.2 | 0 | 0 | 0 | 111.2 | ||||
| 307 | A | 46.6 | Very low | 44.6 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -148.5 | 99.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 308 | Q | 47.2 | Very low | 45.5 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | trans | -76 | 136.3 | 172.3 | -59.5 | 170.9 | -14 | 0 | 0 | 110.3 | ||||
| 309 | H | 51.4 | Low | 46.2 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | trans | -155 | 101.8 | 152.5 | -131.8 | -102.6 | 0 | 0 | 0 | 114.5 | ||||
| 310 | L | 47.1 | Very low | 47.1 | Very low | 148 Ų | 148 | 142 Ų | 142 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | 44.8 | 118.6 | 140.6 | -50.7 | -176.8 | 0 | 0 | 0 | 120.9 | ||||
| 311 | A | 47.3 | Very low | 47.6 | Very low | 98 Ų | 98 | 145.3 Ų | 145.3 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -107.1 | 154.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 312 | P | 54.9 | Low | 48.2 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -139.6 | 124.7 | 144 | 32.6 | -16.5 | 0 | 0 | 0 | 115.1 | ||||
| 313 | H | 49.9 | Very low | 49.1 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | 18 | 138.4 | 129.2 | -167.9 | -85.9 | 0 | 0 | 0 | 121.2 | |||||
| 314 | V | 48.9 | Very low | 49.8 | Very low | 130 Ų | 130 | 139 Ų | 139 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | trans | 159.8 | 141 | 147.1 | 149.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 315 | T | 53.6 | Low | 50.2 | Low | 108 Ų | 108 | 142.1 Ų | 142.1 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | cis | -162.4 | 152.6 | -21.1 | -82.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 316 | F | 45 | Very low | 50.2 | Low | 200 Ų | 200 | 138 Ų | 138 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -63.6 | 137.9 | 175.6 | -102.5 | -105.9 | 0 | 0 | 0 | 113.6 | ||||
| 317 | G | 52.4 | Low | 50.7 | Low | 75 Ų | 75 | 142.8 Ų | 142.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -108.5 | 116.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 318 | T | 54.9 | Low | 51 | Low | 127 Ų | 127 | 143.8 Ų | 143.8 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -86 | 149.2 | 172.4 | 46 | 0 | 0 | 0 | 0 | 111 | ||||
| 319 | N | 54.9 | Low | 51.5 | Low | 169 Ų | 169 | 140.3 Ų | 140.3 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | trans | -135.7 | 118.8 | 162.7 | -111.6 | -36.5 | 0 | 0 | 0 | 109.5 | ||||
| 320 | Q | 52 | Low | 51.8 | Low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -113.4 | 123.5 | 178.1 | -77.1 | -129.5 | 84.2 | 0 | 0 | 110 | ||||
| 321 | L | 47.5 | Very low | 52 | Low | 158 Ų | 158 | 140.8 Ų | 140.8 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -163.8 | 88.6 | 158.3 | -104.8 | 131.7 | 0 | 0 | 0 | 105.6 | ||||
| 322 | S | 51.1 | Low | 52.7 | Low | 87 Ų | 87 | 140.5 Ų | 140.5 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | 58.3 | 115.7 | 83 | 79.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 323 | Q | 56 | Low | 52.8 | Low | 169 Ų | 169 | 145.6 Ų | 145.6 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | 171.8 | 125.6 | 125.6 | -87.6 | -59.5 | -1.6 | 0 | 0 | 110.9 | |||||
| 324 | V | 55.8 | Low | 53.1 | Low | 130 Ų | 130 | 143.2 Ų | 143.2 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | 66 | 115.7 | 158 | -168.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 325 | L | 49.9 | Very low | 53.7 | Low | 163 Ų | 163 | 144 Ų | 144 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -115.1 | 179.3 | 165.2 | -100.5 | -180 | 0 | 0 | 0 | 109.1 | ||||
| 326 | P | 49.8 | Very low | 53.7 | Low | 107 Ų | 107 | 145.8 Ų | 145.8 | 70% | 0.695 | 84% | 0.836 | S | S | * | * | trans | -122.6 | -165.7 | -138.6 | 42 | -27 | 0 | 0 | 0 | 115.3 | ||||
| 327 | R | 48.4 | Very low | 54.2 | Low | 232 Ų | 232 | 142.9 Ų | 142.9 | 88% | 0.875 | 83% | 0.834 | S | S | * | * | trans | 113.3 | 158.2 | 158.2 | -69.1 | -176 | 157.2 | -154.3 | -5.3 | 117.5 | ||||
| 328 | S | 53 | Low | 54.3 | Low | 122 Ų | 122 | 146.7 Ų | 146.7 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | 73.1 | 148.2 | 176.6 | 83 | 0 | 0 | 0 | 0 | 114 | ||||
| 329 | A | 58.1 | Low | 54.3 | Low | 91 Ų | 91 | 147.8 Ų | 147.8 | 75% | 0.752 | 84% | 0.841 | S | S | * | * | cis | -151.1 | -178.9 | -7.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 330 | F | 57.1 | Low | 54.2 | Low | 190 Ų | 190 | 146.5 Ų | 146.5 | 83% | 0.833 | 84% | 0.837 | S | S | * | * | cis | -157.6 | 173.8 | -0.1 | -162.8 | -126.8 | 0 | 0 | 0 | 108.8 | ||||
| 331 | D | 51.3 | Low | 54.4 | Low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 84% | 0.839 | S | S | * | * | trans | -73.1 | 147.9 | 165.1 | -64.4 | -73 | 0 | 0 | 0 | 112 | ||||
| 332 | A | 61.4 | Low | 54.9 | Low | 92 Ų | 92 | 143.7 Ų | 143.7 | 76% | 0.76 | 84% | 0.84 | S | S | * | * | trans | -169.9 | 129.5 | 146.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 333 | Y | 57.2 | Low | 55.1 | Low | 229 Ų | 229 | 148.1 Ų | 148.1 | 90% | 0.898 | 86% | 0.858 | S | S | * | * | trans | 76.3 | 115.3 | 145.3 | -98.9 | -96.9 | 0 | 0 | 0 | 122.9 | ||||
| 334 | S | 57 | Low | 55.1 | Low | 116 Ų | 116 | 146.3 Ų | 146.3 | 81% | 0.811 | 86% | 0.863 | S | S | * | * | trans | -59.6 | 149 | 159.9 | -170.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 335 | G | 62 | Low | 55 | Low | 145 Ų | 145 | 147.8 Ų | 147.8 | 100% | 1.495 | 87% | 0.87 | S | S | * | * | trans | -151.4 | 0 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 335 of 335 residues in 88.5 ms
(Link to these results)