| 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 | 32.2 | Very low | 26.7 | Very low | 230 Ų | 230 | 156.9 Ų | 156.9 | 100% | 1.133 | 79% | 0.794 | S | S | * | * | 0 | 93.6 | 0 | -68.5 | 168.3 | 114.4 | 0 | 0 | 105.2 | |||||
| 2 | Q | 25 | Very low | 26.7 | Very low | 190 Ų | 190 | 150.3 Ų | 150.3 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | 55 | 124.1 | 91.4 | -79 | 176 | -21.1 | 0 | 0 | 110.5 | |||||
| 3 | S | 26.2 | Very low | 26.7 | Very low | 102 Ų | 102 | 149.4 Ų | 149.4 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | cis | -164.2 | 134.5 | 16.7 | 35.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 4 | N | 24.9 | Very low | 26.6 | Very low | 163 Ų | 163 | 151.5 Ų | 151.5 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -76.6 | 120 | 171.7 | -74.8 | -24.4 | 0 | 0 | 0 | 109.4 | E6 | N4-E6 PolarHBondContact O-N 3.34Š| ||
| 5 | D | 28.2 | Very low | 26.6 | Very low | 157 Ų | 157 | 153.8 Ų | 153.8 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -73.4 | 96.9 | 165.3 | -77.5 | -40.7 | 0 | 0 | 0 | 109.5 | N7 | D5-N7 PolarHBondContact O-N 3.15Š| ||
| 6 | E | 28.8 | Very low | 26.7 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -83.6 | 98.5 | 162.7 | -77.1 | -164.1 | 165.8 | 0 | 0 | 109.8 | N4 I8 | N4-E6 PolarHBondContact O-N 3.34Å; E6-I8 PolarHBondContact O-N 2.83Å; E6-I8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | N | 25.8 | Very low | 26.8 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -64.6 | 103 | 163.8 | -108.8 | -32.4 | 0 | 0 | 0 | 109.5 | D5 | D5-N7 PolarHBondContact O-N 3.15Š| ||
| 8 | I | 25.9 | Very low | 26.7 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 53% | 0.533 | 79% | 0.788 | S | S | . | * | trans | -97.9 | 103.9 | 168.2 | -58.7 | 178.8 | 0 | 0 | 0 | 108.6 | E6 F10 | E6-I8 PolarHBondContact O-N 2.83Å; E6-I8 VanDerWaalsContact O-N 3.15Å; I8-F10 HydrophobicContact CB-CE2 4.33Å; I8-F10 HydrophobicContact CG2-CD2 4.26Å; I8-F10 HydrophobicContact CG2-CE2 3.64Å; I8-F10 HydrophobicContact CG2-CZ 3.84Å | ||
| 9 | Y | 23.1 | Very low | 26.6 | Very low | 197 Ų | 197 | 145.7 Ų | 145.7 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -69.1 | 128.3 | 170.1 | -171.9 | -96.3 | 0 | 0 | 0 | 110.1 | P11 | Y9-P11 HydrophobicContact CE1-CB 4.43Š| ||
| 10 | F | 28.4 | Very low | 26.5 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 63% | 0.627 | 79% | 0.791 | S | S | * | * | trans | -110.5 | 126.7 | 167.1 | -71.5 | -86.6 | 0 | 0 | 0 | 107.8 | I8 A12 | I8-F10 HydrophobicContact CB-CE2 4.33Å; I8-F10 HydrophobicContact CG2-CD2 4.26Å; I8-F10 HydrophobicContact CG2-CE2 3.64Å; I8-F10 HydrophobicContact CG2-CZ 3.84Å; F10-A12 PolarHBondContact O-N 2.91Å | ||
| 11 | P | 25 | Very low | 26.4 | Very low | 105 Ų | 105 | 152.4 Ų | 152.4 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | -67 | 133.8 | -170.3 | 26.2 | -31.6 | 0 | 0 | 0 | 110.8 | Y9 | Y9-P11 HydrophobicContact CE1-CB 4.43Š| ||
| 12 | A | 26.5 | Very low | 26 | Very low | 77 Ų | 77 | 147.1 Ų | 147.1 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | -60.3 | 138.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | F10 Q14 | F10-A12 PolarHBondContact O-N 2.91Å; A12-Q14 PolarHBondContact O-N 2.96Å | ||
| 13 | N | 27.5 | Very low | 26.2 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | -54.7 | 104.5 | 168.7 | -79.4 | -16.8 | 0 | 0 | 0 | 109 | Y15 | N13-Y15 VanDerWaalsContact C-N 3.33Å; N13-Y15 HydrophobicContact CB-CD2 4.39Å; N13-Y15 HydrophobicContact CB-CE2 4.22Å; N13-Y15 PolarHBondContact O-N 3.15Å | ||
| 14 | Q | 24.8 | Very low | 26 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -72.7 | 92.1 | 169.8 | -84 | -179.9 | -15.8 | 0 | 0 | 108.4 | A12 V16 | A12-Q14 PolarHBondContact O-N 2.96Å; Q14-V16 PolarHBondContact O-N 3.07Å; Q14-V16 VanDerWaalsContact O-N 3.15Å | ||
| 15 | Y | 27.2 | Very low | 26 | Very low | 186 Ų | 186 | 147 Ų | 147 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | trans | -64.9 | 103.3 | 154 | -74 | -89.5 | 0 | 0 | 0 | 107.5 | N13 N17 | N13-Y15 VanDerWaalsContact C-N 3.33Å; N13-Y15 HydrophobicContact CB-CD2 4.39Å; N13-Y15 HydrophobicContact CB-CE2 4.22Å; N13-Y15 PolarHBondContact O-N 3.15Å; Y15-N17 PolarHBondContact O-N 3.04Å | ||
| 16 | V | 28.1 | Very low | 25.8 | Very low | 124 Ų | 124 | 148 Ų | 148 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -79.7 | 107.3 | 169.2 | -170.8 | 0 | 0 | 0 | 0 | 107.3 | Q14 A18 | Q14-V16 PolarHBondContact O-N 3.07Å; Q14-V16 VanDerWaalsContact O-N 3.15Å; V16-A18 PolarHBondContact O-N 3.28Å | ||
| 17 | N | 27.6 | Very low | 25.5 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -55.2 | 114.4 | 160.9 | -95.8 | -43.9 | 0 | 0 | 0 | 108.8 | Y15 | Y15-N17 PolarHBondContact O-N 3.04Š| ||
| 18 | A | 25.1 | Very low | 25.2 | Very low | 106 Ų | 106 | 147 Ų | 147 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | trans | -102.9 | 104.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | V16 | V16-A18 PolarHBondContact O-N 3.28Š| ||
| 19 | G | 24.7 | Very low | 25.1 | Very low | 69 Ų | 69 | 147.1 Ų | 147.1 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 178.6 | 77.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 20 | Q | 25.6 | Very low | 25.1 | Very low | 200 Ų | 200 | 145.7 Ų | 145.7 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | 172.1 | 117 | 127.2 | -91.4 | -178.7 | 14 | 0 | 0 | 110.1 | |||||
| 21 | Y | 23.8 | Very low | 24.8 | Very low | 233 Ų | 233 | 145 Ų | 145 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | trans | -91.5 | 137.5 | 165.8 | -93 | -85.9 | 0 | 0 | 0 | 109.6 | ||||
| 22 | S | 23.3 | Very low | 24.7 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -161.6 | 155.1 | 141.3 | -84.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 23 | P | 30.1 | Very low | 24.6 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | trans | -112 | 171 | -143.4 | 37.6 | -26.8 | 0 | 0 | 0 | 115.4 | ||||
| 24 | L | 21.8 | Very low | 24.3 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | 74.2 | 117.8 | 159.8 | -72.9 | 143.1 | 0 | 0 | 0 | 118.2 | ||||
| 25 | Q | 24.2 | Very low | 24.2 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | -172.6 | 142.1 | 106.5 | -98.9 | 174.2 | 3.4 | 0 | 0 | 112.3 | |||||
| 26 | Q | 24.8 | Very low | 23.9 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -65.1 | 149.5 | 175.4 | -70.1 | 162.3 | -29.5 | 0 | 0 | 112.1 | ||||
| 27 | S | 21.9 | Very low | 23.7 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -166.2 | 148.1 | 135.1 | 41.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 28 | F | 20.9 | Very low | 23.4 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -78.2 | 155.4 | -171.2 | -78.9 | -105.9 | 0 | 0 | 0 | 114.6 | ||||
| 29 | S | 22.4 | Very low | 23.3 | Very low | 107 Ų | 107 | 146.3 Ų | 146.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | 151.7 | 113.1 | 127.8 | -72.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 30 | Q | 22.7 | Very low | 23.2 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | 83.1 | 132.9 | 74.1 | -85 | -157.4 | -6.4 | 0 | 0 | 115.7 | |||||
| 31 | N | 22.3 | Very low | 23 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | trans | 93.4 | 109.1 | 159.5 | -61.6 | -15.9 | 0 | 0 | 0 | 117 | ||||
| 32 | S | 22.8 | Very low | 22.8 | Very low | 81 Ų | 81 | 141.1 Ų | 141.1 | 57% | 0.566 | 76% | 0.76 | S | S | * | * | 72.9 | 134.6 | 65 | 80.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 33 | H | 24.6 | Very low | 22.7 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | cis | -166 | 156.3 | 37.7 | -91.1 | -59.4 | 0 | 0 | 0 | 113.1 | ||||
| 34 | Q | 22.4 | Very low | 23.3 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 53.3 | 121 | 132.1 | -67.9 | 177 | -13 | 0 | 0 | 122.4 | ||||
| 35 | S | 22.1 | Very low | 23.3 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | 86.5 | 139.6 | 92.5 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 36 | T | 22 | Very low | 23.4 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | -171.9 | 164.3 | 53.5 | -50 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 37 | Q | 22.1 | Very low | 23.4 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | trans | -67.1 | 166.7 | -174.9 | -60.1 | 153.1 | -13.3 | 0 | 0 | 117.9 | ||||
| 38 | M | 22.4 | Very low | 23.6 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | 160.2 | 114.6 | 116.1 | -84.4 | -179.9 | 175.7 | 0 | 0 | 109.6 | |||||
| 39 | E | 22.2 | Very low | 23.9 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | 65.3 | 132.6 | 90.2 | -88.9 | -167.3 | -179 | 0 | 0 | 113.6 | |||||
| 40 | Q | 22.3 | Very low | 24.1 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 66% | 0.659 | 73% | 0.734 | S | S | * | * | cis | -175.9 | 151.5 | 39.5 | -117.3 | 169.4 | 30.3 | 0 | 0 | 112 | ||||
| 41 | N | 21.9 | Very low | 24.2 | Very low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | 65.8 | 144.6 | 137.9 | -67.2 | -15.4 | 0 | 0 | 0 | 121.9 | ||||
| 42 | C | 20.7 | Very low | 24.4 | Very low | 121 Ų | 121 | 140 Ų | 140 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | cis | -160.4 | 158.7 | 16.5 | -111.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 43 | L | 20.5 | Very low | 24.6 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -80.9 | -159.7 | 175.1 | -72 | 151.1 | 0 | 0 | 0 | 112.3 | ||||
| 44 | P | 41.9 | Very low | 24.6 | Very low | 101 Ų | 101 | 149 Ų | 149 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | cis | -143.6 | 176.1 | -6.5 | 29.7 | -4.8 | 0 | 0 | 0 | 117.3 | ||||
| 45 | N | 23 | Very low | 24.7 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | 169.8 | 119.8 | 126.1 | -118.8 | -4.2 | 0 | 0 | 0 | 109.1 | |||||
| 46 | V | 25.3 | Very low | 25.3 | Very low | 95 Ų | 95 | 147 Ų | 147 | 58% | 0.576 | 77% | 0.771 | S | S | * | * | cis | 87.3 | 111 | 41.3 | -176.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 47 | N | 24.6 | Very low | 25.5 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | 174.8 | 108.3 | 123.5 | -87.3 | -33.2 | 0 | 0 | 0 | 109.6 | |||||
| 48 | N | 26.3 | Very low | 25.6 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | 62.4 | 140.6 | 76 | -81 | -21.8 | 0 | 0 | 0 | 114 | |||||
| 49 | S | 27.4 | Very low | 26 | Very low | 94 Ų | 94 | 146.5 Ų | 146.5 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | cis | -167.2 | 161.6 | 8.3 | -129 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 50 | T | 26 | Very low | 26.2 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | -169.1 | 143 | 78.8 | 30.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 51 | R | 25.9 | Very low | 26.4 | Very low | 195 Ų | 195 | 150 Ų | 150 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | -73.5 | 162.2 | 176.3 | -81 | 169.1 | 160 | 169.4 | -2.8 | 115.5 | ||||
| 52 | K | 25.5 | Very low | 26.6 | Very low | 214 Ų | 214 | 148.5 Ų | 148.5 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | -149.2 | 141 | 121.7 | -107.9 | 176.2 | -174.5 | 177.3 | 0 | 111.9 | |||||
| 53 | R | 27.1 | Very low | 26.9 | Very low | 204 Ų | 204 | 148.3 Ų | 148.3 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -109.8 | 152.6 | -179.2 | -79.3 | 177.9 | 160.8 | -178.7 | -6.3 | 110.6 | ||||
| 54 | K | 25 | Very low | 27.3 | Very low | 219 Ų | 219 | 147 Ų | 147 | 95% | 0.952 | 80% | 0.798 | S | S | * | * | trans | -164.7 | 158.2 | 132.1 | -112.8 | 178.7 | 179.7 | -176 | 0 | 111.6 | ||||
| 55 | A | 24.3 | Very low | 26.5 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | -106 | -155.1 | -155.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 56 | P | 35.4 | Very low | 26.9 | Very low | 129 Ų | 129 | 155.5 Ų | 155.5 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | -121.4 | 162 | -100.8 | 35.9 | -17.7 | 0 | 0 | 0 | 115.8 | |||||
| 57 | G | 26.1 | Very low | 27.1 | Very low | 72 Ų | 72 | 162 Ų | 162 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | trans | 93.4 | 117.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 58 | Q | 24.4 | Very low | 27.3 | Very low | 199 Ų | 199 | 164.2 Ų | 164.2 | 93% | 0.93 | 83% | 0.831 | S | S | * | * | trans | -175.8 | 142.4 | 131.6 | -98.2 | 168.8 | 16.2 | 0 | 0 | 110.3 | ||||
| 59 | N | 31 | Very low | 27.7 | Very low | 166 Ų | 166 | 162 Ų | 162 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -53.1 | 129.3 | 177.8 | -79 | -30.2 | 0 | 0 | 0 | 112.4 | ||||
| 60 | E | 25.8 | Very low | 27.8 | Very low | 192 Ų | 192 | 160.6 Ų | 160.6 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -137.4 | 128.3 | 151.7 | -75.9 | -170.8 | 159.3 | 0 | 0 | 110.3 | A62 | E60-A62 PolarHBondContact O-N 3.25Š| ||
| 61 | Q | 26.1 | Very low | 28.2 | Very low | 182 Ų | 182 | 156.8 Ų | 156.8 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -52.3 | 123.9 | 177.9 | -66.8 | 162.1 | -10.8 | 0 | 0 | 109.8 | T63 | Q61-T63 VanDerWaalsContact C-N 3.27Å; Q61-T63 PolarHBondContact O-N 2.99Å | ||
| 62 | A | 26.5 | Very low | 28.5 | Very low | 98 Ų | 98 | 155.5 Ų | 155.5 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -68 | 88.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | E60 V64 | E60-A62 PolarHBondContact O-N 3.25Å; A62-V64 PolarHBondContact O-N 3.08Å; A62-V64 VanDerWaalsContact O-N 3.15Å | ||
| 63 | T | 26.6 | Very low | 28.8 | Very low | 118 Ų | 118 | 153.4 Ų | 153.4 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | -62.8 | 110.2 | 158.9 | 40.4 | 0 | 0 | 0 | 0 | 107.1 | Q61 K65 | Q61-T63 VanDerWaalsContact C-N 3.27Å; Q61-T63 PolarHBondContact O-N 2.99Å; T63-K65 PolarHBondContact O-N 2.9Å | ||
| 64 | V | 29.5 | Very low | 28.7 | Very low | 139 Ų | 139 | 154.4 Ų | 154.4 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -61.7 | 102.2 | 172.7 | 177.4 | 0 | 0 | 0 | 0 | 106.9 | A62 R66 | A62-V64 PolarHBondContact O-N 3.08Å; A62-V64 VanDerWaalsContact O-N 3.15Å; V64-R66 PolarHBondContact O-N 3.05Å | ||
| 65 | K | 25.3 | Very low | 28.9 | Very low | 192 Ų | 192 | 154.9 Ų | 154.9 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -58.9 | 107.1 | 171.2 | -77.5 | -175.7 | 176.7 | -178.6 | 0 | 108.1 | T63 R67 | T63-K65 PolarHBondContact O-N 2.9Å; K65-R67 PolarHBondContact O-N 3.27Å; K65-R67 VanDerWaalsContact O-N 3.15Å | ||
| 66 | R | 31.1 | Very low | 29.1 | Very low | 237 Ų | 237 | 155.7 Ų | 155.7 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | trans | -51.9 | 116.3 | 169.3 | -159 | 175.8 | -172.7 | 177.2 | 0 | 107.1 | V64 Q68 | V64-R66 PolarHBondContact O-N 3.05Å; R66-Q68 PolarHBondContact O-N 3.05Å; R66-Q68 VanDerWaalsContact O-N 3.07Å | ||
| 67 | R | 29.4 | Very low | 28.8 | Very low | 232 Ų | 232 | 155.3 Ų | 155.3 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | trans | -62.8 | 111.4 | 172.6 | -73.9 | -177.7 | 178.5 | 178.2 | -0.5 | 106.9 | K65 I69 | K65-R67 PolarHBondContact O-N 3.27Å; K65-R67 VanDerWaalsContact O-N 3.15Å; R67-I69 PolarHBondContact O-N 3.18Å | ||
| 68 | Q | 29 | Very low | 28.8 | Very low | 192 Ų | 192 | 157.9 Ų | 157.9 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -63.3 | 104.2 | 169.6 | -126.1 | 168.2 | -17 | 0 | 0 | 106.6 | R66 G70 | R66-Q68 PolarHBondContact O-N 3.05Å; R66-Q68 VanDerWaalsContact O-N 3.07Å; Q68-G70 PolarHBondContact O-N 2.74Å | ||
| 69 | I | 33.6 | Very low | 28.8 | Very low | 96 Ų | 96 | 159.2 Ų | 159.2 | 49% | 0.492 | 78% | 0.777 | S | S | . | * | trans | -74.3 | 110.7 | 168.3 | -61.1 | -169.3 | 0 | 0 | 0 | 105.1 | R67 I71 F301 | R67-I69 PolarHBondContact O-N 3.18Å; I69-I71 PolarHBondContact O-N 3.42Å; I69-F301 HydrophobicContact CD1-CE1 3.59Å; I69-F301 HydrophobicContact CD1-CE2 3.96Å; I69-F301 HydrophobicContact CD1-CZ 3.18Å; I69-F301 HydrophobicContact CG1-CE1 4.36Å; I69-F301 HydrophobicContact CG1-CZ 4.08Å | ||
| 70 | G | 30.6 | Very low | 28.6 | Very low | 64 Ų | 64 | 156.7 Ų | 156.7 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | -63.5 | 102.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q68 | Q68-G70 PolarHBondContact O-N 2.74Š| ||
| 71 | I | 34.5 | Very low | 28.7 | Very low | 58 Ų | 58 | 152.6 Ų | 152.6 | 30% | 0.297 | 76% | 0.76 | S | S | . | * | trans | -94.2 | 61.6 | 147.4 | -50.5 | 172.9 | 0 | 0 | 0 | 105.7 | I69 F303 E307 L310 | I69-I71 PolarHBondContact O-N 3.42Å; I71-F303 HydrophobicContact CD1-CE1 4.49Å; I71-E307 HydrophobicContact CD1-CB 3.89Å; I71-E307 HydrophobicContact CD1-CG 3.84Å; I71-L310 HydrophobicContact CG2-CD2 3.67Å; I71-L310 HydrophobicContact CG2-CG 4.33Å | ||
| 72 | E | 32.4 | Very low | 28.7 | Very low | 169 Ų | 169 | 149 Ų | 149 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -80.7 | 135.3 | 167.6 | -77.1 | -169.6 | 170.1 | 0 | 0 | 108.4 | W74 | E72-W74 PolarHBondContact O-N 2.95Š| ||
| 73 | K | 30.1 | Very low | 28.7 | Very low | 170 Ų | 170 | 152.6 Ų | 152.6 | 74% | 0.739 | 75% | 0.75 | S | S | * | * | trans | -49.3 | 116 | 168.1 | -173.5 | 176.3 | -173.7 | 175 | 0 | 107.9 | R75 | K73-R75 PolarHBondContact O-N 3.25Š| ||
| 74 | W | 26.6 | Very low | 28.8 | Very low | 224 Ų | 224 | 151 Ų | 151 | 85% | 0.848 | 74% | 0.741 | S | S | * | * | trans | -41.7 | 103.2 | -178.1 | -67.2 | 94.7 | 0 | 0 | 0 | 111.3 | E72 | E72-W74 PolarHBondContact O-N 2.95Š| ||
| 75 | R | 28.9 | Very low | 28.9 | Very low | 230 Ų | 230 | 150 Ų | 150 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | trans | -111.3 | 126.1 | 172 | -77 | -165.1 | -172 | -165.9 | 4.6 | 108.9 | K73 | K73-R75 PolarHBondContact O-N 3.25Š| ||
| 76 | L | 28.1 | Very low | 29.6 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 58% | 0.576 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 139.3 | -173.9 | -62.1 | 160.7 | 0 | 0 | 0 | 111.7 | F346 | L76-F346 HydrophobicContact CD1-CD1 3.72Å; L76-F346 HydrophobicContact CD1-CE1 3.23Å; L76-F346 HydrophobicContact CD1-CZ 4Å; L76-F346 HydrophobicContact CD2-CD1 4.01Å; L76-F346 HydrophobicContact CD2-CD2 4.31Å; L76-F346 HydrophobicContact CD2-CE1 3.33Å; L76-F346 HydrophobicContact CD2-CE2 3.67Å; L76-F346 HydrophobicContact CD2-CG 4.5Å; L76-F346 HydrophobicContact CD2-CZ 3.16Å; L76-F346 HydrophobicContact CG-CD1 4.49Å; L76-F346 HydrophobicContact CG-CE1 3.88Å; L76-F346 HydrophobicContact CG-CZ 4.16Å |
| 77 | P | 28.3 | Very low | 30.2 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -75 | 141.9 | 169.8 | 28.3 | -30.2 | 0 | 0 | 0 | 111.9 | R79 | P77-R79 PolarHBondContact O-N 2.86Š|
| 78 | S | 27 | Very low | 31 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 118.3 | -178.8 | -53 | 0 | 0 | 0 | 0 | 112.6 | S80 | S78-S80 PolarHBondContact O-N 3.04Š|
| 79 | R | 25.2 | Very low | 31.8 | Very low | 228 Ų | 228 | 129.1 Ų | 129.1 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | trans | -3.1 | 105.1 | 163.5 | -162.3 | 176.1 | -168.8 | 179.9 | 3.7 | 117.3 | P77 V81 | P77-R79 PolarHBondContact O-N 2.86Å; R79-V81 HydrophobicContact CG-CG2 4.05Å | ||
| 80 | S | 25.5 | Very low | 32.5 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 70% | 0.699 | S | S | * | * | trans | -119.2 | 117 | 148 | 59.9 | 0 | 0 | 0 | 0 | 109.3 | S78 V82 | S78-S80 PolarHBondContact O-N 3.04Å; S80-V82 PolarHBondContact O-N 3.06Å | ||
| 81 | V | 29.3 | Very low | 33.8 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 64% | 0.642 | 69% | 0.691 | S | S | * | * | trans | -73.8 | 116.4 | -168.8 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | R79 | R79-V81 HydrophobicContact CG-CG2 4.05Š| ||
| 82 | V | 25.4 | Very low | 35.3 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 65% | 0.648 | 71% | 0.709 | S | S | * | * | trans | -118.4 | 133.4 | 158 | -177.7 | 0 | 0 | 0 | 0 | 106.8 | S80 R348 | S80-V82 PolarHBondContact O-N 3.06Å; V82-R348 PolarHBondContact O-NH2 3.32Å | ||
| 83 | Q | 25.4 | Very low | 37.3 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 81% | 0.808 | 70% | 0.697 | S | S | * | * | trans | -87.7 | 138.1 | 180 | -62.6 | -157.9 | 17.6 | 0 | 0 | 111.3 | ||||
| 84 | P | 30.4 | Very low | 39.4 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 55% | 0.545 | 67% | 0.665 | S | S | . | * | trans | -100.2 | 118.7 | 171.9 | 34.6 | -26.5 | 0 | 0 | 0 | 111.5 | A86 | P84-A86 PolarHBondContact O-N 3.31Š| ||
| 85 | S | 30.1 | Very low | 41.9 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 83% | 0.825 | 66% | 0.66 | S | S | * | * | trans | -81.6 | 101.5 | 164.2 | 51.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 86 | A | 40.8 | Very low | 44.3 | Very low | 91 Ų | 91 | 111.9 Ų | 111.9 | 75% | 0.752 | 62% | 0.62 | S | S | * | * | trans | -92.7 | 114.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109 | P84 | P84-A86 PolarHBondContact O-N 3.31Š| ||
| 87 | D | 43.6 | Very low | 47 | Very low | 125 Ų | 125 | 108.7 Ų | 108.7 | 67% | 0.668 | 61% | 0.607 | S | S | * | * | trans | -67.8 | 137.5 | -176.5 | -94.1 | -40.2 | 0 | 0 | 0 | 112.4 | S89 D90 | D87-S89 VanDerWaalsContact CB-OG 3.29Å; D87-S89 WeakPolarHBondContact CB-OG 3.32Å; D87-S89 PolarHBondContact O-N 3.41Å; D87-D90 PolarHBondContact O-N 3.02Å | ||
| 88 | I | 45.3 | Very low | 49.9 | Very low | 134 Ų | 134 | 105 Ų | 105 | 69% | 0.687 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -58.3 | -12.1 | 174.2 | -64.5 | 165.1 | 0 | 0 | 0 | 112.1 | D90 | I88-D90 VanDerWaalsContact C-N 3.3Å; I88-D90 PolarHBondContact O-N 3.48Å |
| 89 | S | 46.7 | Very low | 52.7 | Low | 66 Ų | 66 | 99.8 Ų | 99.8 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -60.1 | -33.1 | 177.1 | 55 | 0 | 0 | 0 | 0 | 113.9 | D87 L91 R92 | D87-S89 VanDerWaalsContact CB-OG 3.29Å; D87-S89 WeakPolarHBondContact CB-OG 3.32Å; D87-S89 PolarHBondContact O-N 3.41Å; S89-L91 PolarHBondContact O-N 2.93Å; S89-R92 PolarHBondContact O-N 3.13Å |
| 90 | D | 49.3 | Very low | 55.4 | Low | 105 Ų | 105 | 88.9 Ų | 88.9 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -75.5 | -12.8 | -171.1 | -71.1 | -7.3 | 0 | 0 | 0 | 114.2 | D87 I88 | D87-D90 PolarHBondContact O-N 3.02Å; I88-D90 VanDerWaalsContact C-N 3.3Å; I88-D90 PolarHBondContact O-N 3.48Å |
| 91 | L | 56.8 | Low | 58.3 | Low | 92 Ų | 92 | 83.6 Ų | 83.6 | 48% | 0.482 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -95.7 | -4.1 | 175.9 | -66 | 172.8 | 0 | 0 | 0 | 112.7 | S89 R128 Y129 Y132 | S89-L91 PolarHBondContact O-N 2.93Å; L91-R128 HydrophobicContact CD2-CG 4.23Å; L91-Y129 WeakPolarHBondContact O-CD2 3.35Å; L91-Y132 HydrophobicContact CD2-CD2 4.27Å; L91-Y132 HydrophobicContact CD2-CE2 4.05Å |
| 92 | R | 66.4 | Low | 61.1 | Low | 181 Ų | 181 | 78.5 Ų | 78.5 | 68% | 0.683 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -82 | 148.7 | 177.2 | -66.3 | -172.9 | 178 | -171.4 | 0 | 110.8 | S89 P94 | S89-R92 PolarHBondContact O-N 3.13Å; R92-P94 WeakPolarHBondContact O-CD 3.37Å |
| 93 | R | 73.1 | Confident | 63.8 | Low | 139 Ų | 139 | 74 Ų | 74 | 53% | 0.525 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 124.9 | 173 | -177.9 | 177.6 | 170.8 | -173.9 | -3.9 | 108.4 | Y129 | R93-Y129 HydrophobicContact CB-CD1 4.12Å; R93-Y129 HydrophobicContact CB-CD2 4.11Å; R93-Y129 HydrophobicContact CB-CE1 3.86Å; R93-Y129 HydrophobicContact CB-CE2 3.83Å; R93-Y129 HydrophobicContact CB-CG 4.24Å; R93-Y129 HydrophobicContact CG-CD1 4.17Å; R93-Y129 HydrophobicContact CG-CE1 3.78Å |
| 94 | P | 75.6 | Confident | 66.3 | Low | 11 Ų | 11 | 65.9 Ų | 65.9 | 7% | 0.071 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 138.2 | 176.8 | -23 | 34 | 0 | 0 | 0 | 109.5 | R92 I96 W127 Y130 | R92-P94 WeakPolarHBondContact O-CD 3.37Å; P94-I96 HydrophobicContact CB-CB 4.27Å; P94-I96 HydrophobicContact CB-CD1 3.85Å; P94-I96 HydrophobicContact CB-CG1 3.91Å; P94-I96 PolarHBondContact O-N 3.36Å; P94-W127 HydrophobicContact CB-CG 4.26Å; P94-W127 HydrophobicContact CG-CB 3.72Å; P94-W127 HydrophobicContact CG-CD2 4.26Å; P94-W127 HydrophobicContact CG-CG 3.42Å; P94-W127 VanDerWaalsContact CG-CG 3.42Å; P94-Y130 HydrophobicContact CG-CE2 3.96Å |
| 95 | P | 78.8 | Confident | 68.7 | Low | 115 Ų | 115 | 61.9 Ų | 61.9 | 75% | 0.747 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -76 | 53.6 | 174.1 | 34.9 | -36.3 | 0 | 0 | 0 | 109.7 | ||
| 96 | I | 78.6 | Confident | 71.1 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | trans | -127.6 | 129.5 | -174.5 | -51.5 | 172.6 | 0 | 0 | 0 | 108.5 | P94 A100 L101 W127 D187 F190 | P94-I96 HydrophobicContact CB-CB 4.27Å; P94-I96 HydrophobicContact CB-CD1 3.85Å; P94-I96 HydrophobicContact CB-CG1 3.91Å; P94-I96 PolarHBondContact O-N 3.36Å; I96-A100 HydrophobicContact CG2-CB 3.57Å; I96-L101 HydrophobicContact CB-CD2 4.14Å; I96-L101 HydrophobicContact CB-CG 4.39Å; I96-L101 HydrophobicContact CD1-CD2 4.32Å; I96-L101 HydrophobicContact CG2-CD2 3.77Å; I96-L101 HydrophobicContact CG2-CG 3.89Å; I96-W127 HydrophobicContact CD1-CH2 4.47Å; I96-W127 HydrophobicContact CD1-CZ2 3.39Å; I96-D187 VanDerWaalsContact CA-OD1 3.29Å; I96-D187 WeakPolarHBondContact CA-OD1 3.46Å; I96-F190 HydrophobicContact CD1-CD1 3.62Å; I96-F190 HydrophobicContact CD1-CD2 4.38Å; I96-F190 HydrophobicContact CD1-CE1 3.27Å; I96-F190 HydrophobicContact CD1-CE2 4.08Å; I96-F190 HydrophobicContact CD1-CG 4.18Å; I96-F190 HydrophobicContact CD1-CZ 3.54Å; I96-F190 HydrophobicContact CG1-CD1 4.19Å; I96-F190 HydrophobicContact CG1-CE1 4.28Å; I96-F190 HydrophobicContact CG1-CG 4.36Å | ||
| 97 | S | 85.4 | Confident | 72.7 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | trans | -68.2 | 152.6 | 175.6 | 64.4 | 0 | 0 | 0 | 0 | 112.1 | V99 A100 L101 D187 | S97-V99 PolarHBondContact O-N 2.86Å; S97-A100 WeakPolarHBondContact O-CB 3.23Å; S97-A100 PolarHBondContact O-N 3.39Å; S97-A100 VanDerWaalsContact O-N 3.13Å; S97-A100 WeakPolarHBondContact OG-CB 3.06Å; S97-A100 PolarHBondContact OG-N 2.98Å; S97-L101 WeakPolarHBondContact O-CG 3.25Å; S97-L101 PolarHBondContact O-N 3.48Å; S97-D187 WeakPolarHBondContact CB-OD2 3.14Å; S97-D187 PolarHBondContact N-OD1 3.3Å; S97-D187 PolarHBondContact OG-OD2 3.49Å | ||
| 98 | Y | 88.3 | Confident | 73.9 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 17% | 0.169 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -31.8 | 177.1 | -73.8 | -65.8 | 0 | 0 | 0 | 112.7 | A100 L101 C102 Y130 W137 V141 | Y98-A100 VanDerWaalsContact C-N 3.35Å; Y98-L101 HydrophobicContact CD1-CD1 3.91Å; Y98-L101 HydrophobicContact CE1-CD1 4.32Å; Y98-L101 PolarHBondContact O-N 3.42Å; Y98-C102 PolarHBondContact O-N 3.47Å; Y98-C102 PolarHBondContact O-SG 3.36Å; Y98-Y130 AromaticContact CE1-CE1 3.85Å; Y98-Y130 HydrophobicContact CE1-CE1 3.85Å; Y98-W137 HydrophobicContact CE1-CB 4.02Å; Y98-W137 VanDerWaalsContact OH-CB 3.27Å; Y98-W137 WeakPolarHBondContact OH-CB 3.36Å; Y98-V141 HydrophobicContact CD1-CG2 3.96Å; Y98-V141 HydrophobicContact CE1-CG2 4.4Å |
| 99 | V | 86.8 | Confident | 74.8 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 10% | 0.097 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 172.2 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | S97 L101 C102 A103 Q144 I183 | S97-V99 PolarHBondContact O-N 2.86Å; V99-L101 PolarHBondContact O-N 3.41Å; V99-C102 PolarHBondContact O-N 3.23Å; V99-A103 WeakPolarHBondContact O-CB 3.14Å; V99-A103 PolarHBondContact O-N 3.04Å; V99-Q144 HydrophobicContact CG2-CG 4.14Å; V99-I183 HydrophobicContact CG1-CG1 4.36Å |
| 100 | A | 82.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -42.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I96 S97 Y98 C102 A103 L104 I183 D187 F191 | I96-A100 HydrophobicContact CG2-CB 3.57Å; S97-A100 WeakPolarHBondContact O-CB 3.23Å; S97-A100 PolarHBondContact O-N 3.39Å; S97-A100 VanDerWaalsContact O-N 3.13Å; S97-A100 WeakPolarHBondContact OG-CB 3.06Å; S97-A100 PolarHBondContact OG-N 2.98Å; Y98-A100 VanDerWaalsContact C-N 3.35Å; A100-C102 PolarHBondContact O-N 3.2Å; A100-A103 PolarHBondContact O-N 3.15Å; A100-L104 WeakPolarHBondContact O-CB 3.12Å; A100-L104 PolarHBondContact O-N 3.01Å; A100-I183 HydrophobicContact CB-CD1 4.36Å; A100-I183 HydrophobicContact CB-CG1 4.46Å; A100-I183 HydrophobicContact CB-CG2 3.94Å; A100-D187 HydrophobicContact CB-CB 4.08Å; A100-F191 HydrophobicContact CB-CE1 4.35Å; A100-F191 HydrophobicContact CB-CE2 4.2Å; A100-F191 HydrophobicContact CB-CZ 3.53Å; A100-F191 WeakPolarHBondContact O-CZ 3.49Å |
| 101 | L | 85.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 175.4 | -66.6 | 174.8 | 0 | 0 | 0 | 112.3 | I96 S97 Y98 V99 L104 A105 I123 W127 Y130 | I96-L101 HydrophobicContact CB-CD2 4.14Å; I96-L101 HydrophobicContact CB-CG 4.39Å; I96-L101 HydrophobicContact CD1-CD2 4.32Å; I96-L101 HydrophobicContact CG2-CD2 3.77Å; I96-L101 HydrophobicContact CG2-CG 3.89Å; S97-L101 WeakPolarHBondContact O-CG 3.25Å; S97-L101 PolarHBondContact O-N 3.48Å; Y98-L101 HydrophobicContact CD1-CD1 3.91Å; Y98-L101 HydrophobicContact CE1-CD1 4.32Å; Y98-L101 PolarHBondContact O-N 3.42Å; V99-L101 PolarHBondContact O-N 3.41Å; L101-L104 PolarHBondContact O-N 3.14Å; L101-A105 WeakPolarHBondContact O-CB 3.16Å; L101-A105 PolarHBondContact O-N 3.07Å; L101-I123 HydrophobicContact CB-CD1 4.01Å; L101-I123 HydrophobicContact CB-CG1 4.2Å; L101-I123 HydrophobicContact CD1-CD1 4.22Å; L101-I123 HydrophobicContact CD1-CG1 4.48Å; L101-W127 HydrophobicContact CD2-CD2 4.13Å; L101-W127 HydrophobicContact CD2-CE3 3.77Å; L101-W127 HydrophobicContact CD2-CH2 3.18Å; L101-W127 HydrophobicContact CD2-CZ2 3.58Å; L101-W127 HydrophobicContact CD2-CZ3 3.31Å; L101-Y130 HydrophobicContact CD1-CE2 4Å; L101-Y130 WeakPolarHBondContact CD1-OH 3.41Å |
| 102 | C | 87.9 | Confident | 77 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 178 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | Y98 V99 A100 L104 A105 C106 L145 F151 | Y98-C102 PolarHBondContact O-N 3.47Å; Y98-C102 PolarHBondContact O-SG 3.36Å; V99-C102 PolarHBondContact O-N 3.23Å; A100-C102 PolarHBondContact O-N 3.2Å; C102-L104 VanDerWaalsContact C-N 3.34Å; C102-L104 PolarHBondContact O-N 3.07Å; C102-A105 PolarHBondContact O-N 3.35Å; C102-C106 WeakPolarHBondContact O-CB 3.4Å; C102-C106 PolarHBondContact O-N 3.03Å; C102-L145 HydrophobicContact CB-CD2 4.02Å; C102-F151 HydrophobicContact CB-CE1 4.08Å; C102-F151 HydrophobicContact CB-CE2 4.07Å; C102-F151 HydrophobicContact CB-CZ 3.41Å; C102-F151 VanDerWaalsContact CB-CZ 3.41Å |
| 103 | A | 82.3 | Confident | 77.4 | Confident | 12 Ų | 12 | 39 Ų | 39 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V99 A100 C106 R107 V172 I183 | V99-A103 WeakPolarHBondContact O-CB 3.14Å; V99-A103 PolarHBondContact O-N 3.04Å; A100-A103 PolarHBondContact O-N 3.15Å; A103-C106 PolarHBondContact O-N 2.9Å; A103-R107 WeakPolarHBondContact O-CB 3.49Å; A103-R107 PolarHBondContact O-N 3.29Å; A103-V172 HydrophobicContact CB-CG2 4.29Å; A103-I183 HydrophobicContact CB-CD1 3.93Å |
| 104 | L | 78.2 | Confident | 77.6 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 176.7 | -171.6 | 62.5 | 0 | 0 | 0 | 111.9 | A100 L101 C102 R107 N108 F122 W127 F191 | A100-L104 WeakPolarHBondContact O-CB 3.12Å; A100-L104 PolarHBondContact O-N 3.01Å; L101-L104 PolarHBondContact O-N 3.14Å; C102-L104 VanDerWaalsContact C-N 3.34Å; C102-L104 PolarHBondContact O-N 3.07Å; L104-R107 VanDerWaalsContact CD1-NH2 3.29Å; L104-R107 PolarHBondContact O-N 3.38Å; L104-N108 PolarHBondContact O-N 3.36Å; L104-N108 VanDerWaalsContact O-N 3.16Å; L104-N108 PolarHBondContact O-ND2 2.94Å; L104-F122 HydrophobicContact CB-CE1 4.22Å; L104-F122 HydrophobicContact CD2-CE1 3.92Å; L104-F122 HydrophobicContact CD2-CZ 4.01Å; L104-F122 HydrophobicContact CG-CE1 3.87Å; L104-F122 HydrophobicContact CG-CZ 3.81Å; L104-W127 HydrophobicContact CD2-CH2 3.85Å; L104-W127 HydrophobicContact CD2-CZ2 4.3Å; L104-F191 HydrophobicContact CB-CD1 4.37Å; L104-F191 HydrophobicContact CB-CE1 3.66Å; L104-F191 HydrophobicContact CB-CZ 4.2Å; L104-F191 HydrophobicContact CD1-CD1 3.81Å; L104-F191 HydrophobicContact CD1-CE1 3.98Å; L104-F191 HydrophobicContact CD2-CD1 4.01Å; L104-F191 HydrophobicContact CD2-CE1 3.86Å; L104-F191 HydrophobicContact CG-CD1 4.27Å; L104-F191 HydrophobicContact CG-CE1 4.02Å |
| 105 | A | 80.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L101 C102 R107 N108 A109 I114 V119 F122 | L101-A105 WeakPolarHBondContact O-CB 3.16Å; L101-A105 PolarHBondContact O-N 3.07Å; C102-A105 PolarHBondContact O-N 3.35Å; A105-R107 PolarHBondContact O-N 3.42Å; A105-N108 PolarHBondContact O-N 3.35Å; A105-A109 PolarHBondContact O-N 3.25Å; A105-A109 VanDerWaalsContact O-N 3.11Å; A105-I114 VanDerWaalsContact C-CD1 3.49Å; A105-I114 HydrophobicContact CB-CD1 3.56Å; A105-I114 WeakPolarHBondContact O-CD1 3.44Å; A105-V119 HydrophobicContact CB-CB 4.4Å; A105-V119 HydrophobicContact CB-CG1 4.19Å; A105-V119 HydrophobicContact CB-CG2 4.16Å; A105-F122 HydrophobicContact CB-CB 3.82Å; A105-F122 HydrophobicContact CB-CD1 3.49Å; A105-F122 VanDerWaalsContact CB-CD1 3.49Å; A105-F122 HydrophobicContact CB-CD2 4.34Å; A105-F122 HydrophobicContact CB-CE1 4.15Å; A105-F122 HydrophobicContact CB-CG 3.61Å |
| 106 | C | 80.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 177.1 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | C102 A103 N108 A109 M112 I114 V172 | C102-C106 WeakPolarHBondContact O-CB 3.4Å; C102-C106 PolarHBondContact O-N 3.03Å; A103-C106 PolarHBondContact O-N 2.9Å; C106-N108 VanDerWaalsContact C-N 3.27Å; C106-N108 PolarHBondContact O-N 2.98Å; C106-A109 WeakPolarHBondContact O-CB 3.49Å; C106-A109 PolarHBondContact O-N 2.83Å; C106-A109 VanDerWaalsContact O-N 3.17Å; C106-M112 PolarHBondContact SG-O 3.49Å; C106-I114 HydrophobicContact CB-CG2 3.78Å; C106-V172 HydrophobicContact CB-CG2 3.88Å |
| 107 | R | 74.4 | Confident | 77.6 | Confident | 79 Ų | 79 | 33.4 Ų | 33.4 | 30% | 0.298 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60 | -35.6 | 176.3 | -173.8 | -175.3 | 79.9 | 175.8 | 2 | 113.4 | A103 L104 A105 M112 I178 | A103-R107 WeakPolarHBondContact O-CB 3.49Å; A103-R107 PolarHBondContact O-N 3.29Å; L104-R107 VanDerWaalsContact CD1-NH2 3.29Å; L104-R107 PolarHBondContact O-N 3.38Å; A105-R107 PolarHBondContact O-N 3.42Å; R107-M112 HydrophobicContact CB-CE 4.16Å; R107-M112 HydrophobicContact CB-SD 4.49Å; R107-M112 HydrophobicContact CG-CE 4.11Å; R107-M112 HydrophobicContact CG-SD 4.3Å; R107-M112 VanDerWaalsContact O-SD 3.37Å; R107-I178 VanDerWaalsContact CD-CD1 3.47Å; R107-I178 HydrophobicContact CG-CD1 4.34Å |
| 108 | N | 68.8 | Low | 76.9 | Confident | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -84.9 | -14.9 | -178.9 | -74.4 | -73.8 | 0 | 0 | 0 | 112.6 | L104 A105 C106 F122 I198 Y201 | L104-N108 PolarHBondContact O-N 3.36Å; L104-N108 VanDerWaalsContact O-N 3.16Å; L104-N108 PolarHBondContact O-ND2 2.94Å; A105-N108 PolarHBondContact O-N 3.35Å; C106-N108 VanDerWaalsContact C-N 3.27Å; C106-N108 PolarHBondContact O-N 2.98Å; N108-F122 HydrophobicContact CB-CE2 3.79Å; N108-F122 HydrophobicContact CB-CZ 4.43Å; N108-I198 PolarHBondContact OD1-N 3.36Å; N108-Y201 HydrophobicContact CB-CD2 3.85Å; N108-Y201 HydrophobicContact CB-CE2 3.86Å; N108-Y201 WeakPolarHBondContact O-CD2 3.22Å |
| 109 | A | 66.1 | Low | 76.4 | Confident | 8 Ų | 8 | 30 Ų | 30 | 7% | 0.066 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -72.3 | 150 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A105 C106 M112 K113 I114 Y201 | A105-A109 PolarHBondContact O-N 3.25Å; A105-A109 VanDerWaalsContact O-N 3.11Å; C106-A109 WeakPolarHBondContact O-CB 3.49Å; C106-A109 PolarHBondContact O-N 2.83Å; C106-A109 VanDerWaalsContact O-N 3.17Å; A109-M112 PolarHBondContact O-N 3.33Å; A109-K113 VanDerWaalsContact CB-O 3.29Å; A109-K113 WeakPolarHBondContact CB-O 3.5Å; A109-I114 HydrophobicContact CB-CB 4.06Å; A109-I114 HydrophobicContact CB-CD1 4.23Å; A109-I114 HydrophobicContact CB-CG1 4.29Å; A109-Y201 HydrophobicContact CB-CE2 4.35Å |
| 110 | P | 61.3 | Low | 76.1 | Confident | 65 Ų | 65 | 31.2 Ų | 31.2 | 42% | 0.422 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -57.9 | 143 | 171.2 | 27.6 | -35.4 | 0 | 0 | 0 | 110.2 | M112 K113 F205 | P110-M112 PolarHBondContact O-N 3.23Å; P110-K113 PolarHBondContact O-N 3.47Å; P110-F205 HydrophobicContact CB-CE2 4.44Å; P110-F205 HydrophobicContact CG-CE2 3.96Å; P110-F205 HydrophobicContact CG-CZ 3.95Å |
| 111 | D | 64.7 | Low | 75.3 | Confident | 124 Ų | 124 | 33.2 Ų | 33.2 | 66% | 0.663 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | 56.6 | 13.8 | -178.1 | -54.2 | -38.5 | 0 | 0 | 0 | 115.5 | K113 | D111-K113 HydrophobicContact CB-CG 4.22Å; D111-K113 VanDerWaalsContact O-CG 3.31Å; D111-K113 WeakPolarHBondContact O-CG 3.31Å; D111-K113 PolarHBondContact O-N 2.93Å |
| 112 | M | 71.5 | Confident | 74.6 | Confident | 72 Ų | 72 | 33.2 Ų | 33.2 | 36% | 0.355 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | 57.3 | 29 | -175.6 | -55.9 | -76.6 | -65.4 | 0 | 0 | 112.8 | C106 R107 A109 P110 | C106-M112 PolarHBondContact SG-O 3.49Å; R107-M112 HydrophobicContact CB-CE 4.16Å; R107-M112 HydrophobicContact CB-SD 4.49Å; R107-M112 HydrophobicContact CG-CE 4.11Å; R107-M112 HydrophobicContact CG-SD 4.3Å; R107-M112 VanDerWaalsContact O-SD 3.37Å; A109-M112 PolarHBondContact O-N 3.33Å; P110-M112 PolarHBondContact O-N 3.23Å |
| 113 | K | 76.2 | Confident | 74.1 | Confident | 76 Ų | 76 | 33.2 Ų | 33.2 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.2 | 178.1 | -46.7 | -164.1 | -178.9 | -172.7 | 0 | 109.8 | A109 P110 D111 E154 F169 I171 | A109-K113 VanDerWaalsContact CB-O 3.29Å; A109-K113 WeakPolarHBondContact CB-O 3.5Å; P110-K113 PolarHBondContact O-N 3.47Å; D111-K113 HydrophobicContact CB-CG 4.22Å; D111-K113 VanDerWaalsContact O-CG 3.31Å; D111-K113 WeakPolarHBondContact O-CG 3.31Å; D111-K113 PolarHBondContact O-N 2.93Å; K113-E154 WeakPolarHBondContact CE-OE2 3.38Å; K113-E154 IonicContact NZ-OE1 3.04Å; K113-E154 PolarHBondContact NZ-OE1 2.9Å; K113-E154 IonicContact NZ-OE2 3.8Å; K113-E154 PolarHBondContact NZ-OE2 3.18Å; K113-F169 HydrophobicContact CB-CB 4.45Å; K113-F169 HydrophobicContact CB-CD1 4.43Å; K113-I171 HydrophobicContact CB-CG1 4.38Å; K113-I171 HydrophobicContact CD-CD1 3.85Å; K113-I171 HydrophobicContact CD-CG1 4.28Å; K113-I171 HydrophobicContact CG-CD1 3.93Å; K113-I171 HydrophobicContact CG-CG1 3.93Å |
| 114 | I | 76.5 | Confident | 73.5 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 146.8 | -177.7 | -161.7 | 164.4 | 0 | 0 | 0 | 112.7 | A105 C106 A109 V119 Y170 Y201 | A105-I114 VanDerWaalsContact C-CD1 3.49Å; A105-I114 HydrophobicContact CB-CD1 3.56Å; A105-I114 WeakPolarHBondContact O-CD1 3.44Å; C106-I114 HydrophobicContact CB-CG2 3.78Å; A109-I114 HydrophobicContact CB-CB 4.06Å; A109-I114 HydrophobicContact CB-CD1 4.23Å; A109-I114 HydrophobicContact CB-CG1 4.29Å; I114-V119 HydrophobicContact CB-CG2 4.47Å; I114-V119 HydrophobicContact CD1-CB 4.48Å; I114-V119 HydrophobicContact CD1-CG2 3.68Å; I114-V119 HydrophobicContact CG1-CG2 3.9Å; I114-V119 HydrophobicContact CG2-CG2 3.77Å; I114-Y170 PolarHBondContact N-O 3.12Å; I114-Y170 PolarHBondContact O-N 2.93Å; I114-Y201 VanDerWaalsContact CD1-OH 3.22Å; I114-Y201 WeakPolarHBondContact CD1-OH 3.26Å |
| 115 | T | 81.3 | Confident | 72.8 | Confident | 50 Ų | 50 | 38.9 Ų | 38.9 | 31% | 0.307 | 22% | 0.218 | S | C | . | . | trans | -91.5 | 158.4 | 171.3 | 65.1 | 0 | 0 | 0 | 0 | 110.4 | A117 G118 V119 F169 | T115-A117 PolarHBondContact O-N 2.6Å; T115-G118 WeakPolarHBondContact O-CA 3.43Å; T115-G118 PolarHBondContact O-N 3.18Å; T115-G118 PolarHBondContact OG1-N 2.86Å; T115-V119 PolarHBondContact O-N 3.06Å; T115-V119 VanDerWaalsContact O-N 3.13Å; T115-F169 HydrophobicContact CG2-CD1 3.81Å; T115-F169 HydrophobicContact CG2-CE1 3.62Å; T115-F169 HydrophobicContact CG2-CZ 4.38Å | ||
| 116 | P | 79 | Confident | 72.1 | Confident | 33 Ų | 33 | 40 Ų | 40 | 21% | 0.214 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54 | -38.4 | 174.7 | -27.3 | 35.7 | 0 | 0 | 0 | 113.2 | V119 Y120 L145 Y170 | P116-V119 PolarHBondContact O-N 3.27Å; P116-Y120 HydrophobicContact CB-CE2 4.46Å; P116-Y120 WeakPolarHBondContact O-CD1 3.42Å; P116-Y120 WeakPolarHBondContact O-CD2 3.33Å; P116-Y120 VanDerWaalsContact O-CG 3.25Å; P116-Y120 PolarHBondContact O-N 3.25Å; P116-Y120 VanDerWaalsContact O-N 3.15Å; P116-L145 HydrophobicContact CB-CD1 4.1Å; P116-L145 HydrophobicContact CG-CD1 4.15Å; P116-Y170 HydrophobicContact CG-CD2 4.19Å; P116-Y170 HydrophobicContact CG-CE2 3.61Å |
| 117 | A | 73.1 | Confident | 71.6 | Confident | 63 Ų | 63 | 40.9 Ų | 40.9 | 52% | 0.521 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T115 V119 Y120 A121 | T115-A117 PolarHBondContact O-N 2.6Å; A117-V119 VanDerWaalsContact C-N 3.3Å; A117-V119 PolarHBondContact O-N 3.27Å; A117-Y120 PolarHBondContact O-N 2.65Å; A117-A121 PolarHBondContact O-N 2.87Å; A117-A121 VanDerWaalsContact O-N 3.1Å |
| 118 | G | 69.5 | Low | 71.2 | Confident | 15 Ų | 15 | 42.3 Ų | 42.3 | 16% | 0.155 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.7 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T115 A121 F122 Y201 | T115-G118 WeakPolarHBondContact O-CA 3.43Å; T115-G118 PolarHBondContact O-N 3.18Å; T115-G118 PolarHBondContact OG1-N 2.86Å; G118-A121 PolarHBondContact O-N 3.41Å; G118-F122 WeakPolarHBondContact O-CB 3.24Å; G118-F122 PolarHBondContact O-N 3.45Å; G118-Y201 PolarHBondContact O-OH 3.15Å |
| 119 | V | 78.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -41.6 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | A105 I114 T115 P116 A117 A121 F122 I123 V141 L145 | A105-V119 HydrophobicContact CB-CB 4.4Å; A105-V119 HydrophobicContact CB-CG1 4.19Å; A105-V119 HydrophobicContact CB-CG2 4.16Å; I114-V119 HydrophobicContact CB-CG2 4.47Å; I114-V119 HydrophobicContact CD1-CB 4.48Å; I114-V119 HydrophobicContact CD1-CG2 3.68Å; I114-V119 HydrophobicContact CG1-CG2 3.9Å; I114-V119 HydrophobicContact CG2-CG2 3.77Å; T115-V119 PolarHBondContact O-N 3.06Å; T115-V119 VanDerWaalsContact O-N 3.13Å; P116-V119 PolarHBondContact O-N 3.27Å; A117-V119 VanDerWaalsContact C-N 3.3Å; A117-V119 PolarHBondContact O-N 3.27Å; V119-A121 PolarHBondContact O-N 3.13Å; V119-F122 PolarHBondContact O-N 3.44Å; V119-I123 HydrophobicContact CG1-CD1 3.78Å; V119-I123 HydrophobicContact CG1-CG1 4.38Å; V119-I123 VanDerWaalsContact O-CG1 3.32Å; V119-I123 WeakPolarHBondContact O-CG1 3.48Å; V119-I123 PolarHBondContact O-N 3.22Å; V119-V141 HydrophobicContact CB-CG1 4.17Å; V119-V141 HydrophobicContact CG1-CG1 3.62Å; V119-L145 HydrophobicContact CG2-CD1 4.1Å; V119-L145 HydrophobicContact CG2-CD2 4.33Å |
| 120 | Y | 79.8 | Confident | 71.5 | Confident | 41 Ų | 41 | 45.1 Ų | 45.1 | 16% | 0.161 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 176.9 | -52.4 | -30.8 | 0 | 0 | 0 | 111.9 | P116 A117 F122 I123 L124 W137 K138 V141 R142 | P116-Y120 HydrophobicContact CB-CE2 4.46Å; P116-Y120 WeakPolarHBondContact O-CD1 3.42Å; P116-Y120 WeakPolarHBondContact O-CD2 3.33Å; P116-Y120 VanDerWaalsContact O-CG 3.25Å; P116-Y120 PolarHBondContact O-N 3.25Å; P116-Y120 VanDerWaalsContact O-N 3.15Å; A117-Y120 PolarHBondContact O-N 2.65Å; Y120-F122 VanDerWaalsContact C-N 3.33Å; Y120-F122 PolarHBondContact O-N 3.01Å; Y120-I123 PolarHBondContact O-N 3.32Å; Y120-L124 WeakPolarHBondContact O-CB 3.45Å; Y120-L124 VanDerWaalsContact O-CG 3.31Å; Y120-L124 WeakPolarHBondContact O-CG 3.45Å; Y120-L124 PolarHBondContact O-N 3.37Å; Y120-W137 HydrophobicContact CD1-CH2 4.23Å; Y120-W137 AromaticContact CD1-CZ3 3.9Å; Y120-W137 HydrophobicContact CD1-CZ3 3.9Å; Y120-W137 HydrophobicContact CG-CH2 4.4Å; Y120-W137 HydrophobicContact CG-CZ3 4.5Å; Y120-K138 HydrophobicContact CD1-CB 4.43Å; Y120-K138 HydrophobicContact CD1-CG 4.23Å; Y120-K138 HydrophobicContact CE1-CB 3.96Å; Y120-K138 HydrophobicContact CE1-CG 4.24Å; Y120-V141 HydrophobicContact CD1-CG1 4.06Å; Y120-V141 HydrophobicContact CE1-CB 4.1Å; Y120-V141 HydrophobicContact CE1-CG1 3.7Å; Y120-R142 WeakPolarHBondContact OH-CD 3.12Å; Y120-R142 WeakPolarHBondContact OH-CG 2.99Å; Y120-R142 PolarHBondContact OH-NH1 2.89Å |
| 121 | A | 66.4 | Low | 72.1 | Confident | 43 Ų | 43 | 47.7 Ų | 47.7 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A117 G118 V119 L124 H125 F200 | A117-A121 PolarHBondContact O-N 2.87Å; A117-A121 VanDerWaalsContact O-N 3.1Å; G118-A121 PolarHBondContact O-N 3.41Å; V119-A121 PolarHBondContact O-N 3.13Å; A121-L124 PolarHBondContact O-N 3.44Å; A121-H125 WeakPolarHBondContact O-CB 3.39Å; A121-H125 PolarHBondContact O-N 2.95Å; A121-F200 HydrophobicContact CB-CZ 4.42Å |
| 122 | F | 71.1 | Confident | 72.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 176.3 | -174.1 | -91.1 | 0 | 0 | 0 | 112 | L104 A105 N108 G118 V119 Y120 H125 H126 W127 F200 Y201 | L104-F122 HydrophobicContact CB-CE1 4.22Å; L104-F122 HydrophobicContact CD2-CE1 3.92Å; L104-F122 HydrophobicContact CD2-CZ 4.01Å; L104-F122 HydrophobicContact CG-CE1 3.87Å; L104-F122 HydrophobicContact CG-CZ 3.81Å; A105-F122 HydrophobicContact CB-CB 3.82Å; A105-F122 HydrophobicContact CB-CD1 3.49Å; A105-F122 VanDerWaalsContact CB-CD1 3.49Å; A105-F122 HydrophobicContact CB-CD2 4.34Å; A105-F122 HydrophobicContact CB-CE1 4.15Å; A105-F122 HydrophobicContact CB-CG 3.61Å; N108-F122 HydrophobicContact CB-CE2 3.79Å; N108-F122 HydrophobicContact CB-CZ 4.43Å; G118-F122 WeakPolarHBondContact O-CB 3.24Å; G118-F122 PolarHBondContact O-N 3.45Å; V119-F122 PolarHBondContact O-N 3.44Å; Y120-F122 VanDerWaalsContact C-N 3.33Å; Y120-F122 PolarHBondContact O-N 3.01Å; F122-H125 PolarHBondContact O-N 3.27Å; F122-H126 AromaticContact CD1-ND1 3.93Å; F122-H126 AromaticContact CD2-CE1 3.48Å; F122-H126 VanDerWaalsContact CD2-CE1 3.48Å; F122-H126 WeakPolarHBondContact CD2-CE1 3.44Å; F122-H126 AromaticContact CD2-ND1 3.73Å; F122-H126 AromaticContact CE1-ND1 3.85Å; F122-H126 AromaticContact CE2-CE1 3.21Å; F122-H126 WeakPolarHBondContact CE2-CE1 3.41Å; F122-H126 AromaticContact CE2-ND1 3.65Å; F122-H126 AromaticContact CE2-NE2 3.99Å; F122-H126 AromaticContact CG-ND1 3.86Å; F122-H126 AromaticContact CZ-CE1 3.61Å; F122-H126 AromaticContact CZ-ND1 3.7Å; F122-H126 PolarHBondContact O-N 3.36Å; F122-H126 PolarHBondContact O-ND1 2.75Å; F122-W127 HydrophobicContact CD1-CZ3 4.15Å; F122-W127 HydrophobicContact CE1-CH2 4.04Å; F122-W127 AromaticContact CE1-CZ3 3.95Å; F122-W127 HydrophobicContact CE1-CZ3 3.95Å; F122-F200 AromaticContact CD2-CD1 3.88Å; F122-F200 HydrophobicContact CD2-CD1 3.88Å; F122-F200 HydrophobicContact CD2-CE1 4.35Å; F122-F200 HydrophobicContact CD2-CG 4.48Å; F122-Y201 AromaticContact CD2-CE2 3.73Å; F122-Y201 HydrophobicContact CD2-CE2 3.73Å; F122-Y201 HydrophobicContact CE2-CE2 4.28Å |
| 123 | I | 76.1 | Confident | 72.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -44.8 | -179.6 | -68.9 | 169.6 | 0 | 0 | 0 | 111.4 | L101 V119 Y120 H125 H126 W127 Y130 W137 V141 | L101-I123 HydrophobicContact CB-CD1 4.01Å; L101-I123 HydrophobicContact CB-CG1 4.2Å; L101-I123 HydrophobicContact CD1-CD1 4.22Å; L101-I123 HydrophobicContact CD1-CG1 4.48Å; V119-I123 HydrophobicContact CG1-CD1 3.78Å; V119-I123 HydrophobicContact CG1-CG1 4.38Å; V119-I123 VanDerWaalsContact O-CG1 3.32Å; V119-I123 WeakPolarHBondContact O-CG1 3.48Å; V119-I123 PolarHBondContact O-N 3.22Å; Y120-I123 PolarHBondContact O-N 3.32Å; I123-H125 VanDerWaalsContact C-N 3.31Å; I123-H125 PolarHBondContact O-N 3.16Å; I123-H126 PolarHBondContact O-N 3.19Å; I123-W127 HydrophobicContact CB-CE3 4.45Å; I123-W127 HydrophobicContact CG1-CZ3 4.34Å; I123-W127 HydrophobicContact CG2-CE3 4.29Å; I123-W127 PolarHBondContact O-N 3.24Å; I123-Y130 HydrophobicContact CG2-CD1 4.14Å; I123-Y130 HydrophobicContact CG2-CD2 3.32Å; I123-Y130 HydrophobicContact CG2-CE2 3.86Å; I123-Y130 HydrophobicContact CG2-CG 3.48Å; I123-Y130 VanDerWaalsContact CG2-CG 3.48Å; I123-W137 HydrophobicContact CB-CZ3 4.27Å; I123-W137 HydrophobicContact CD1-CE3 4.5Å; I123-W137 HydrophobicContact CD1-CZ3 4.07Å; I123-W137 HydrophobicContact CG2-CZ3 4.13Å; I123-V141 HydrophobicContact CD1-CG2 3.71Å |
| 124 | L | 70.1 | Confident | 72.1 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 29% | 0.293 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.2 | -34.2 | -179.8 | -72.1 | 169.3 | 0 | 0 | 0 | 112.8 | Y120 A121 Y130 R131 W137 | Y120-L124 WeakPolarHBondContact O-CB 3.45Å; Y120-L124 VanDerWaalsContact O-CG 3.31Å; Y120-L124 WeakPolarHBondContact O-CG 3.45Å; Y120-L124 PolarHBondContact O-N 3.37Å; A121-L124 PolarHBondContact O-N 3.44Å; L124-Y130 WeakPolarHBondContact CD2-O 3.08Å; L124-R131 HydrophobicContact CD2-CB 4.44Å; L124-R131 HydrophobicContact CD2-CG 4.01Å; L124-R131 PolarHBondContact O-NE 3.45Å; L124-R131 PolarHBondContact O-NH2 3.24Å; L124-W137 HydrophobicContact CD1-CH2 4.38Å; L124-W137 HydrophobicContact CD1-CZ2 4.4Å; L124-W137 HydrophobicContact CD2-CH2 4.36Å; L124-W137 HydrophobicContact CD2-CZ2 3.92Å; L124-W137 HydrophobicContact CG-CH2 4.06Å; L124-W137 HydrophobicContact CG-CZ2 4.09Å |
| 125 | H | 64.3 | Low | 72 | Confident | 77 Ų | 77 | 54.4 Ų | 54.4 | 36% | 0.356 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.4 | -50.4 | 176.6 | -179.8 | -95.8 | 0 | 0 | 0 | 111.2 | A121 F122 I123 R131 F200 | A121-H125 WeakPolarHBondContact O-CB 3.39Å; A121-H125 PolarHBondContact O-N 2.95Å; F122-H125 PolarHBondContact O-N 3.27Å; I123-H125 VanDerWaalsContact C-N 3.31Å; I123-H125 PolarHBondContact O-N 3.16Å; H125-R131 PolarHBondContact O-NH2 3.47Å; H125-R131 VanDerWaalsContact O-NH2 3.12Å; H125-F200 HydrophobicContact CB-CD2 3.97Å; H125-F200 HydrophobicContact CB-CE2 3.71Å; H125-F200 HydrophobicContact CB-CZ 4.4Å; H125-F200 AromaticContact CD2-CD2 3.58Å; H125-F200 AromaticContact CD2-CE2 3.66Å; H125-F200 AromaticContact CE1-CD2 3.71Å; H125-F200 AromaticContact CG-CD2 3.41Å; H125-F200 VanDerWaalsContact CG-CD2 3.41Å; H125-F200 AromaticContact CG-CE2 3.56Å; H125-F200 AromaticContact ND1-CD2 3.5Å; H125-F200 WeakPolarHBondContact ND1-CD2 3.3Å; H125-F200 AromaticContact NE2-CD2 3.77Å |
| 126 | H | 64.4 | Low | 71.9 | Confident | 24 Ų | 24 | 57.2 Ų | 57.2 | 11% | 0.111 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -85.8 | -26.3 | -168.4 | -65.3 | 90.2 | 0 | 0 | 0 | 114.1 | F122 I123 R196 F200 | F122-H126 AromaticContact CD1-ND1 3.93Å; F122-H126 AromaticContact CD2-CE1 3.48Å; F122-H126 VanDerWaalsContact CD2-CE1 3.48Å; F122-H126 WeakPolarHBondContact CD2-CE1 3.44Å; F122-H126 AromaticContact CD2-ND1 3.73Å; F122-H126 AromaticContact CE1-ND1 3.85Å; F122-H126 AromaticContact CE2-CE1 3.21Å; F122-H126 WeakPolarHBondContact CE2-CE1 3.41Å; F122-H126 AromaticContact CE2-ND1 3.65Å; F122-H126 AromaticContact CE2-NE2 3.99Å; F122-H126 AromaticContact CG-ND1 3.86Å; F122-H126 AromaticContact CZ-CE1 3.61Å; F122-H126 AromaticContact CZ-ND1 3.7Å; F122-H126 PolarHBondContact O-N 3.36Å; F122-H126 PolarHBondContact O-ND1 2.75Å; I123-H126 PolarHBondContact O-N 3.19Å; H126-R196 PolarHBondContact O-NH1 2.81Å; H126-F200 AromaticContact CE1-CG 3.85Å |
| 127 | W | 70.6 | Confident | 72.1 | Confident | 18 Ų | 18 | 56 Ų | 56 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | trans | -130.9 | 110 | -176.8 | -61.8 | -79.6 | 0 | 0 | 0 | 112.2 | P94 I96 L101 L104 F122 I123 Y129 Y130 F190 R196 | P94-W127 HydrophobicContact CB-CG 4.26Å; P94-W127 HydrophobicContact CG-CB 3.72Å; P94-W127 HydrophobicContact CG-CD2 4.26Å; P94-W127 HydrophobicContact CG-CG 3.42Å; P94-W127 VanDerWaalsContact CG-CG 3.42Å; I96-W127 HydrophobicContact CD1-CH2 4.47Å; I96-W127 HydrophobicContact CD1-CZ2 3.39Å; L101-W127 HydrophobicContact CD2-CD2 4.13Å; L101-W127 HydrophobicContact CD2-CE3 3.77Å; L101-W127 HydrophobicContact CD2-CH2 3.18Å; L101-W127 HydrophobicContact CD2-CZ2 3.58Å; L101-W127 HydrophobicContact CD2-CZ3 3.31Å; L104-W127 HydrophobicContact CD2-CH2 3.85Å; L104-W127 HydrophobicContact CD2-CZ2 4.3Å; F122-W127 HydrophobicContact CD1-CZ3 4.15Å; F122-W127 HydrophobicContact CE1-CH2 4.04Å; F122-W127 AromaticContact CE1-CZ3 3.95Å; F122-W127 HydrophobicContact CE1-CZ3 3.95Å; I123-W127 HydrophobicContact CB-CE3 4.45Å; I123-W127 HydrophobicContact CG1-CZ3 4.34Å; I123-W127 HydrophobicContact CG2-CE3 4.29Å; I123-W127 PolarHBondContact O-N 3.24Å; W127-Y129 PolarHBondContact O-N 3.06Å; W127-Y130 HydrophobicContact CB-CD2 3.83Å; W127-Y130 HydrophobicContact CB-CE2 4.31Å; W127-Y130 PolarHBondContact O-N 3.4Å; W127-F190 HydrophobicContact CZ2-CE1 4.2Å; W127-R196 VanDerWaalsContact CE2-NH2 3.27Å | ||
| 128 | R | 65.5 | Low | 72.5 | Confident | 109 Ų | 109 | 55.5 Ų | 55.5 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -30.3 | -175.6 | -160.5 | -179.8 | 177.2 | 170.8 | 1.3 | 112.9 | L91 Y130 R131 Y132 | L91-R128 HydrophobicContact CD2-CG 4.23Å; R128-Y130 VanDerWaalsContact C-N 3.28Å; R128-Y130 PolarHBondContact O-N 2.96Å; R128-R131 WeakPolarHBondContact O-CB 3.14Å; R128-R131 PolarHBondContact O-N 3.4Å; R128-R131 VanDerWaalsContact O-N 3.08Å; R128-Y132 HydrophobicContact CG-CE2 3.98Å; R128-Y132 WeakPolarHBondContact O-CD2 3.46Å |
| 129 | Y | 74.6 | Confident | 73.3 | Confident | 72 Ų | 72 | 59.4 Ų | 59.4 | 28% | 0.282 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -48 | -46.2 | 173.1 | 171.8 | -97.8 | 0 | 0 | 0 | 113.2 | L91 R93 W127 R131 Y132 A133 | L91-Y129 WeakPolarHBondContact O-CD2 3.35Å; R93-Y129 HydrophobicContact CB-CD1 4.12Å; R93-Y129 HydrophobicContact CB-CD2 4.11Å; R93-Y129 HydrophobicContact CB-CE1 3.86Å; R93-Y129 HydrophobicContact CB-CE2 3.83Å; R93-Y129 HydrophobicContact CB-CG 4.24Å; R93-Y129 HydrophobicContact CG-CD1 4.17Å; R93-Y129 HydrophobicContact CG-CE1 3.78Å; W127-Y129 PolarHBondContact O-N 3.06Å; Y129-R131 PolarHBondContact O-N 3.24Å; Y129-Y132 PolarHBondContact O-N 3.46Å; Y129-Y132 VanDerWaalsContact O-N 3.16Å; Y129-A133 HydrophobicContact CD1-CB 4.35Å; Y129-A133 HydrophobicContact CE1-CB 3.91Å; Y129-A133 PolarHBondContact O-N 2.9Å; Y129-A133 VanDerWaalsContact O-N 3.08Å |
| 130 | Y | 66.7 | Low | 73.9 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.2 | -12.7 | -175 | -70.6 | -76.6 | 0 | 0 | 0 | 113.9 | P94 Y98 L101 I123 L124 W127 R128 Y132 A133 W137 | P94-Y130 HydrophobicContact CG-CE2 3.96Å; Y98-Y130 AromaticContact CE1-CE1 3.85Å; Y98-Y130 HydrophobicContact CE1-CE1 3.85Å; L101-Y130 HydrophobicContact CD1-CE2 4Å; L101-Y130 WeakPolarHBondContact CD1-OH 3.41Å; I123-Y130 HydrophobicContact CG2-CD1 4.14Å; I123-Y130 HydrophobicContact CG2-CD2 3.32Å; I123-Y130 HydrophobicContact CG2-CE2 3.86Å; I123-Y130 HydrophobicContact CG2-CG 3.48Å; I123-Y130 VanDerWaalsContact CG2-CG 3.48Å; L124-Y130 WeakPolarHBondContact CD2-O 3.08Å; W127-Y130 HydrophobicContact CB-CD2 3.83Å; W127-Y130 HydrophobicContact CB-CE2 4.31Å; W127-Y130 PolarHBondContact O-N 3.4Å; R128-Y130 VanDerWaalsContact C-N 3.28Å; R128-Y130 PolarHBondContact O-N 2.96Å; Y130-Y132 VanDerWaalsContact C-N 3.29Å; Y130-A133 HydrophobicContact CD1-CB 4.45Å; Y130-W137 HydrophobicContact CD1-CB 3.99Å; Y130-W137 AromaticContact CD1-CD1 3.89Å; Y130-W137 AromaticContact CD1-CD2 3.83Å; Y130-W137 HydrophobicContact CD1-CD2 3.83Å; Y130-W137 HydrophobicContact CD1-CE3 4.25Å; Y130-W137 AromaticContact CD1-CG 3.68Å; Y130-W137 HydrophobicContact CD1-CG 3.68Å; Y130-W137 HydrophobicContact CE1-CB 3.94Å; Y130-W137 HydrophobicContact CE1-CD2 4.48Å; Y130-W137 HydrophobicContact CE1-CG 4.15Å; Y130-W137 PolarHBondContact O-NE1 3.42Å |
| 131 | R | 73.5 | Confident | 74.2 | Confident | 119 Ų | 119 | 59.5 Ų | 59.5 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -72.2 | -25.7 | 173.7 | -55.4 | -178.5 | -168.8 | 170.7 | 3.8 | 112.3 | L124 H125 R128 Y129 | L124-R131 HydrophobicContact CD2-CB 4.44Å; L124-R131 HydrophobicContact CD2-CG 4.01Å; L124-R131 PolarHBondContact O-NE 3.45Å; L124-R131 PolarHBondContact O-NH2 3.24Å; H125-R131 PolarHBondContact O-NH2 3.47Å; H125-R131 VanDerWaalsContact O-NH2 3.12Å; R128-R131 WeakPolarHBondContact O-CB 3.14Å; R128-R131 PolarHBondContact O-N 3.4Å; R128-R131 VanDerWaalsContact O-N 3.08Å; Y129-R131 PolarHBondContact O-N 3.24Å |
| 132 | Y | 70.3 | Confident | 75.4 | Confident | 156 Ų | 156 | 62.5 Ų | 62.5 | 61% | 0.612 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -112.6 | -6.6 | -179.1 | -52.6 | -73.4 | 0 | 0 | 0 | 112.7 | L91 R128 Y129 Y130 | L91-Y132 HydrophobicContact CD2-CD2 4.27Å; L91-Y132 HydrophobicContact CD2-CE2 4.05Å; R128-Y132 HydrophobicContact CG-CE2 3.98Å; R128-Y132 WeakPolarHBondContact O-CD2 3.46Å; Y129-Y132 PolarHBondContact O-N 3.46Å; Y129-Y132 VanDerWaalsContact O-N 3.16Å; Y130-Y132 VanDerWaalsContact C-N 3.29Å |
| 133 | A | 67.3 | Low | 76.2 | Confident | 23 Ų | 23 | 68.8 Ų | 68.8 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -73.3 | 151.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y129 Y130 | Y129-A133 HydrophobicContact CD1-CB 4.35Å; Y129-A133 HydrophobicContact CE1-CB 3.91Å; Y129-A133 PolarHBondContact O-N 2.9Å; Y129-A133 VanDerWaalsContact O-N 3.08Å; Y130-A133 HydrophobicContact CD1-CB 4.45Å |
| 134 | N | 74.3 | Confident | 76.8 | Confident | 105 Ų | 105 | 70.7 Ų | 70.7 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | trans | -60.7 | 148.5 | 174.6 | 60.1 | -0.1 | 0 | 0 | 0 | 112.1 | N136 W137 | N134-N136 PolarHBondContact ND2-ND2 3.09Å; N134-N136 PolarHBondContact O-N 3.44Å; N134-W137 PolarHBondContact O-N 3.1Å | ||
| 135 | E | 75.8 | Confident | 77.5 | Confident | 135 Ų | 135 | 68.1 Ų | 68.1 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -7.9 | -174.1 | -60.1 | -152.8 | 126.2 | 0 | 0 | 115.4 | W137 K138 | E135-W137 PolarHBondContact O-N 3.06Å; E135-W137 VanDerWaalsContact O-N 3.09Å; E135-K138 HydrophobicContact CB-CD 4.47Å; E135-K138 VanDerWaalsContact O-CB 3.31Å; E135-K138 WeakPolarHBondContact O-CB 3.45Å; E135-K138 PolarHBondContact O-N 2.88Å; E135-K138 IonicContact OE1-NZ 2.71Å; E135-K138 PolarHBondContact OE1-NZ 3.29Å |
| 136 | N | 79.2 | Confident | 78.6 | Confident | 109 Ų | 109 | 67.8 Ų | 67.8 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -53.4 | -29.7 | 176.5 | -69.5 | -14.8 | 0 | 0 | 0 | 113.2 | N134 K138 N139 S140 | N134-N136 PolarHBondContact ND2-ND2 3.09Å; N134-N136 PolarHBondContact O-N 3.44Å; N136-K138 PolarHBondContact O-N 2.73Å; N136-N139 WeakPolarHBondContact O-CB 3.47Å; N136-N139 PolarHBondContact O-N 3.48Å; N136-S140 PolarHBondContact O-N 2.77Å |
| 137 | W | 82.3 | Confident | 79.5 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62 | -31.3 | 175.7 | 69.1 | -104 | 0 | 0 | 0 | 112.8 | Y98 Y120 I123 L124 Y130 N134 E135 N139 S140 V141 | Y98-W137 HydrophobicContact CE1-CB 4.02Å; Y98-W137 VanDerWaalsContact OH-CB 3.27Å; Y98-W137 WeakPolarHBondContact OH-CB 3.36Å; Y120-W137 HydrophobicContact CD1-CH2 4.23Å; Y120-W137 AromaticContact CD1-CZ3 3.9Å; Y120-W137 HydrophobicContact CD1-CZ3 3.9Å; Y120-W137 HydrophobicContact CG-CH2 4.4Å; Y120-W137 HydrophobicContact CG-CZ3 4.5Å; I123-W137 HydrophobicContact CB-CZ3 4.27Å; I123-W137 HydrophobicContact CD1-CE3 4.5Å; I123-W137 HydrophobicContact CD1-CZ3 4.07Å; I123-W137 HydrophobicContact CG2-CZ3 4.13Å; L124-W137 HydrophobicContact CD1-CH2 4.38Å; L124-W137 HydrophobicContact CD1-CZ2 4.4Å; L124-W137 HydrophobicContact CD2-CH2 4.36Å; L124-W137 HydrophobicContact CD2-CZ2 3.92Å; L124-W137 HydrophobicContact CG-CH2 4.06Å; L124-W137 HydrophobicContact CG-CZ2 4.09Å; Y130-W137 HydrophobicContact CD1-CB 3.99Å; Y130-W137 AromaticContact CD1-CD1 3.89Å; Y130-W137 AromaticContact CD1-CD2 3.83Å; Y130-W137 HydrophobicContact CD1-CD2 3.83Å; Y130-W137 HydrophobicContact CD1-CE3 4.25Å; Y130-W137 AromaticContact CD1-CG 3.68Å; Y130-W137 HydrophobicContact CD1-CG 3.68Å; Y130-W137 HydrophobicContact CE1-CB 3.94Å; Y130-W137 HydrophobicContact CE1-CD2 4.48Å; Y130-W137 HydrophobicContact CE1-CG 4.15Å; Y130-W137 PolarHBondContact O-NE1 3.42Å; N134-W137 PolarHBondContact O-N 3.1Å; E135-W137 PolarHBondContact O-N 3.06Å; E135-W137 VanDerWaalsContact O-N 3.09Å; W137-N139 VanDerWaalsContact C-N 3.25Å; W137-N139 PolarHBondContact O-N 2.75Å; W137-S140 WeakPolarHBondContact O-CB 3.38Å; W137-S140 PolarHBondContact O-N 3.15Å; W137-V141 HydrophobicContact CE3-CG2 4.03Å; W137-V141 HydrophobicContact CZ3-CG2 4.32Å; W137-V141 WeakPolarHBondContact O-CG2 3.2Å; W137-V141 PolarHBondContact O-N 3.41Å |
| 138 | K | 81.8 | Confident | 79.8 | Confident | 52 Ų | 52 | 75.7 Ų | 75.7 | 23% | 0.226 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 175.1 | -62.2 | 177.1 | -179.7 | 170.8 | 0 | 110.8 | Y120 E135 N136 V141 R142 | Y120-K138 HydrophobicContact CD1-CB 4.43Å; Y120-K138 HydrophobicContact CD1-CG 4.23Å; Y120-K138 HydrophobicContact CE1-CB 3.96Å; Y120-K138 HydrophobicContact CE1-CG 4.24Å; E135-K138 HydrophobicContact CB-CD 4.47Å; E135-K138 VanDerWaalsContact O-CB 3.31Å; E135-K138 WeakPolarHBondContact O-CB 3.45Å; E135-K138 PolarHBondContact O-N 2.88Å; E135-K138 IonicContact OE1-NZ 2.71Å; E135-K138 PolarHBondContact OE1-NZ 3.29Å; N136-K138 PolarHBondContact O-N 2.73Å; K138-V141 PolarHBondContact O-N 3.32Å; K138-R142 WeakPolarHBondContact O-CG 3.43Å; K138-R142 PolarHBondContact O-N 2.89Å |
| 139 | N | 87.2 | Confident | 80.4 | Confident | 97 Ų | 97 | 77 Ų | 77 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.6 | -41.9 | 176.1 | -161.8 | 38.5 | 0 | 0 | 0 | 111.8 | N136 W137 V141 R142 H143 | N136-N139 WeakPolarHBondContact O-CB 3.47Å; N136-N139 PolarHBondContact O-N 3.48Å; W137-N139 VanDerWaalsContact C-N 3.25Å; W137-N139 PolarHBondContact O-N 2.75Å; N139-V141 VanDerWaalsContact C-N 3.3Å; N139-V141 PolarHBondContact O-N 3.21Å; N139-R142 PolarHBondContact O-N 3.38Å; N139-R142 PolarHBondContact OD1-NH2 3.44Å; N139-H143 PolarHBondContact O-N 3.43Å |
| 140 | S | 89.9 | Confident | 80.7 | Confident | 44 Ų | 44 | 74.6 Ų | 74.6 | 31% | 0.308 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 172.9 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | N136 W137 H143 Q144 | N136-S140 PolarHBondContact O-N 2.77Å; W137-S140 WeakPolarHBondContact O-CB 3.38Å; W137-S140 PolarHBondContact O-N 3.15Å; S140-H143 PolarHBondContact O-N 2.89Å; S140-Q144 WeakPolarHBondContact O-CG 3.27Å; S140-Q144 PolarHBondContact O-N 3.49Å; S140-Q144 VanDerWaalsContact O-N 3.09Å |
| 141 | V | 88.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 174.7 | 166.1 | 0 | 0 | 0 | 0 | 111.7 | Y98 V119 Y120 I123 W137 K138 N139 H143 Q144 L145 | Y98-V141 HydrophobicContact CD1-CG2 3.96Å; Y98-V141 HydrophobicContact CE1-CG2 4.4Å; V119-V141 HydrophobicContact CB-CG1 4.17Å; V119-V141 HydrophobicContact CG1-CG1 3.62Å; Y120-V141 HydrophobicContact CD1-CG1 4.06Å; Y120-V141 HydrophobicContact CE1-CB 4.1Å; Y120-V141 HydrophobicContact CE1-CG1 3.7Å; I123-V141 HydrophobicContact CD1-CG2 3.71Å; W137-V141 HydrophobicContact CE3-CG2 4.03Å; W137-V141 HydrophobicContact CZ3-CG2 4.32Å; W137-V141 WeakPolarHBondContact O-CG2 3.2Å; W137-V141 PolarHBondContact O-N 3.41Å; K138-V141 PolarHBondContact O-N 3.32Å; N139-V141 VanDerWaalsContact C-N 3.3Å; N139-V141 PolarHBondContact O-N 3.21Å; V141-H143 VanDerWaalsContact C-N 3.35Å; V141-H143 PolarHBondContact O-N 2.73Å; V141-Q144 PolarHBondContact O-N 3.14Å; V141-L145 HydrophobicContact CG1-CD1 4.05Å; V141-L145 WeakPolarHBondContact O-CG 3.27Å; V141-L145 PolarHBondContact O-N 3.29Å |
| 142 | R | 89.8 | Confident | 82.1 | Confident | 106 Ų | 106 | 72.7 Ų | 72.7 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 177.4 | -72.4 | -172.2 | -61.1 | -93.2 | 7.4 | 112.6 | Y120 K138 N139 Q144 L145 S146 | Y120-R142 WeakPolarHBondContact OH-CD 3.12Å; Y120-R142 WeakPolarHBondContact OH-CG 2.99Å; Y120-R142 PolarHBondContact OH-NH1 2.89Å; K138-R142 WeakPolarHBondContact O-CG 3.43Å; K138-R142 PolarHBondContact O-N 2.89Å; N139-R142 PolarHBondContact O-N 3.38Å; N139-R142 PolarHBondContact OD1-NH2 3.44Å; R142-Q144 VanDerWaalsContact C-N 3.27Å; R142-Q144 PolarHBondContact O-N 3.29Å; R142-L145 PolarHBondContact O-N 2.65Å; R142-S146 PolarHBondContact O-N 3.36Å; R142-S146 PolarHBondContact O-OG 3.15Å |
| 143 | H | 88.1 | Confident | 82.9 | Confident | 131 Ų | 131 | 69.3 Ų | 69.3 | 61% | 0.606 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -57.5 | -43 | 176.9 | 177.6 | 67.4 | 0 | 0 | 0 | 111.4 | N139 S140 V141 S146 S147 | N139-H143 PolarHBondContact O-N 3.43Å; S140-H143 PolarHBondContact O-N 2.89Å; V141-H143 VanDerWaalsContact C-N 3.35Å; V141-H143 PolarHBondContact O-N 2.73Å; H143-S146 PolarHBondContact O-N 3.42Å; H143-S147 PolarHBondContact O-N 3.31Å |
| 144 | Q | 88.6 | Confident | 83.6 | Confident | 40 Ų | 40 | 72 Ų | 72 | 19% | 0.187 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 176.4 | -65.8 | -51.5 | -30.4 | 0 | 0 | 112.7 | V99 S140 V141 R142 S146 S147 F151 | V99-Q144 HydrophobicContact CG2-CG 4.14Å; S140-Q144 WeakPolarHBondContact O-CG 3.27Å; S140-Q144 PolarHBondContact O-N 3.49Å; S140-Q144 VanDerWaalsContact O-N 3.09Å; V141-Q144 PolarHBondContact O-N 3.14Å; R142-Q144 VanDerWaalsContact C-N 3.27Å; R142-Q144 PolarHBondContact O-N 3.29Å; Q144-S146 VanDerWaalsContact C-N 3.28Å; Q144-S146 PolarHBondContact O-N 3.26Å; Q144-S147 VanDerWaalsContact O-CB 3.25Å; Q144-S147 WeakPolarHBondContact O-CB 3.36Å; Q144-S147 PolarHBondContact O-N 3.22Å; Q144-F151 VanDerWaalsContact O-CD2 3.22Å; Q144-F151 WeakPolarHBondContact O-CD2 3.46Å |
| 145 | L | 86.2 | Confident | 83.4 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.7 | -33.4 | 178 | -68.2 | 172.8 | 0 | 0 | 0 | 112.5 | C102 P116 V119 V141 R142 S147 F151 Y170 | C102-L145 HydrophobicContact CB-CD2 4.02Å; P116-L145 HydrophobicContact CB-CD1 4.1Å; P116-L145 HydrophobicContact CG-CD1 4.15Å; V119-L145 HydrophobicContact CG2-CD1 4.1Å; V119-L145 HydrophobicContact CG2-CD2 4.33Å; V141-L145 HydrophobicContact CG1-CD1 4.05Å; V141-L145 WeakPolarHBondContact O-CG 3.27Å; V141-L145 PolarHBondContact O-N 3.29Å; R142-L145 PolarHBondContact O-N 2.65Å; L145-S147 PolarHBondContact O-N 3.47Å; L145-F151 HydrophobicContact CD2-CD1 4.18Å; L145-F151 HydrophobicContact CD2-CD2 4.5Å; L145-F151 HydrophobicContact CD2-CE1 4.19Å; L145-F151 HydrophobicContact CD2-CG 4.34Å; L145-F151 HydrophobicContact CD2-CZ 4.39Å; L145-Y170 HydrophobicContact CB-CD1 3.91Å; L145-Y170 HydrophobicContact CB-CD2 4.17Å; L145-Y170 HydrophobicContact CB-CE1 3.96Å; L145-Y170 HydrophobicContact CB-CE2 4.22Å; L145-Y170 HydrophobicContact CB-CG 4.01Å; L145-Y170 HydrophobicContact CD1-CD2 4.19Å; L145-Y170 HydrophobicContact CD1-CE2 4.43Å; L145-Y170 HydrophobicContact CD2-CD2 4.36Å; L145-Y170 HydrophobicContact CD2-CG 4.01Å; L145-Y170 HydrophobicContact CG-CD2 4.48Å; L145-Y170 HydrophobicContact CG-CG 4.43Å; L145-Y170 WeakPolarHBondContact O-CD1 3.45Å; L145-Y170 WeakPolarHBondContact O-CE1 3.48Å |
| 146 | S | 86.8 | Confident | 82.6 | Confident | 70 Ų | 70 | 69.9 Ų | 69.9 | 49% | 0.49 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -7.7 | 174.4 | -61.7 | 0 | 0 | 0 | 0 | 113.9 | R142 H143 Q144 K148 | R142-S146 PolarHBondContact O-N 3.36Å; R142-S146 PolarHBondContact O-OG 3.15Å; H143-S146 PolarHBondContact O-N 3.42Å; Q144-S146 VanDerWaalsContact C-N 3.28Å; Q144-S146 PolarHBondContact O-N 3.26Å; S146-K148 PolarHBondContact O-N 3.2Å |
| 147 | S | 81.9 | Confident | 81.2 | Confident | 30 Ų | 30 | 72 Ų | 72 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | trans | -72.6 | 114.5 | 176.7 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | H143 Q144 L145 E149 H150 F151 | H143-S147 PolarHBondContact O-N 3.31Å; Q144-S147 VanDerWaalsContact O-CB 3.25Å; Q144-S147 WeakPolarHBondContact O-CB 3.36Å; Q144-S147 PolarHBondContact O-N 3.22Å; L145-S147 PolarHBondContact O-N 3.47Å; S147-E149 PolarHBondContact O-N 2.81Å; S147-E149 VanDerWaalsContact O-N 3.12Å; S147-E149 WeakPolarHBondContact OG-CB 3.43Å; S147-E149 PolarHBondContact OG-N 3.06Å; S147-H150 PolarHBondContact O-N 3.28Å; S147-F151 PolarHBondContact O-N 3.01Å; S147-F151 VanDerWaalsContact O-N 3.14Å | ||
| 148 | K | 77.8 | Confident | 79.7 | Confident | 178 Ų | 178 | 73.6 Ų | 73.6 | 77% | 0.774 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -9.3 | 174.6 | -64.4 | -169.9 | 178.1 | -175.6 | 0 | 113.3 | S146 K173 | S146-K148 PolarHBondContact O-N 3.2Å; K148-K173 WeakPolarHBondContact O-CD 3.3Å; K148-K173 WeakPolarHBondContact O-CE 3.4Å; K148-K173 PolarHBondContact O-NZ 3.24Å |
| 149 | E | 79.1 | Confident | 78.1 | Confident | 137 Ų | 137 | 76.5 Ų | 76.5 | 64% | 0.64 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -35.8 | 176.9 | -167.6 | 177.9 | -177.2 | 0 | 0 | 111.5 | S147 | S147-E149 PolarHBondContact O-N 2.81Å; S147-E149 VanDerWaalsContact O-N 3.12Å; S147-E149 WeakPolarHBondContact OG-CB 3.43Å; S147-E149 PolarHBondContact OG-N 3.06Å |
| 150 | H | 79.9 | Confident | 76.7 | Confident | 20 Ų | 20 | 77.6 Ų | 77.6 | 9% | 0.093 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -30 | -167.1 | -52.6 | 134.3 | 0 | 0 | 0 | 113.5 | S147 K173 L182 | S147-H150 PolarHBondContact O-N 3.28Å; H150-K173 PolarHBondContact O-N 3.27Å; H150-L182 HydrophobicContact CB-CD2 3.81Å; H150-L182 WeakPolarHBondContact CD2-CD2 3.36Å; H150-L182 WeakPolarHBondContact CD2-CG 3.2Å |
| 151 | F | 84.5 | Confident | 75 | Confident | 5 Ų | 5 | 80.1 Ų | 80.1 | 2% | 0.022 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.8 | -175.1 | -59.5 | -84.9 | 0 | 0 | 0 | 111.5 | C102 Q144 L145 S147 Y170 I171 V172 K173 | C102-F151 HydrophobicContact CB-CE1 4.08Å; C102-F151 HydrophobicContact CB-CE2 4.07Å; C102-F151 HydrophobicContact CB-CZ 3.41Å; C102-F151 VanDerWaalsContact CB-CZ 3.41Å; Q144-F151 VanDerWaalsContact O-CD2 3.22Å; Q144-F151 WeakPolarHBondContact O-CD2 3.46Å; L145-F151 HydrophobicContact CD2-CD1 4.18Å; L145-F151 HydrophobicContact CD2-CD2 4.5Å; L145-F151 HydrophobicContact CD2-CE1 4.19Å; L145-F151 HydrophobicContact CD2-CG 4.34Å; L145-F151 HydrophobicContact CD2-CZ 4.39Å; S147-F151 PolarHBondContact O-N 3.01Å; S147-F151 VanDerWaalsContact O-N 3.14Å; F151-Y170 HydrophobicContact CB-CD1 4.29Å; F151-I171 CarbonylContact C-O 3.48Å; F151-I171 VanDerWaalsContact CA-O 3.28Å; F151-I171 WeakPolarHBondContact CA-O 3.39Å; F151-V172 HydrophobicContact CD1-CG2 4.18Å; F151-V172 HydrophobicContact CE1-CG2 3.75Å; F151-K173 WeakPolarHBondContact O-CE 3.13Å |
| 152 | D | 85.4 | Confident | 73.1 | Confident | 77 Ų | 77 | 82.6 Ų | 82.6 | 41% | 0.412 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 134.4 | 163 | -84.6 | -41.7 | 0 | 0 | 0 | 109.6 | Y170 I171 K173 | D152-Y170 WeakPolarHBondContact O-CA 2.91Å; D152-I171 PolarHBondContact N-O 3.02Å; D152-I171 PolarHBondContact O-N 3.05Å; D152-K173 HydrophobicContact CB-CG 4.38Å; D152-K173 WeakPolarHBondContact OD1-CE 3.43Å; D152-K173 IonicContact OD1-NZ 3.25Å; D152-K173 PolarHBondContact OD1-NZ 3.45Å; D152-K173 WeakPolarHBondContact OD2-CE 3.27Å; D152-K173 WeakPolarHBondContact OD2-CG 2.89Å |
| 153 | E | 86.8 | Confident | 71.2 | Confident | 86 Ų | 86 | 86 Ų | 86 | 40% | 0.402 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 113.6 | 172.6 | -174.9 | -178.7 | 134.8 | 0 | 0 | 108.5 | K168 F169 Y170 | E153-K168 VanDerWaalsContact CD-NZ 3.29Å; E153-K168 HydrophobicContact CG-CB 4.28Å; E153-K168 HydrophobicContact CG-CD 4.35Å; E153-K168 HydrophobicContact CG-CG 4.27Å; E153-K168 WeakPolarHBondContact OE1-CD 3.03Å; E153-K168 WeakPolarHBondContact OE1-CE 3.45Å; E153-K168 WeakPolarHBondContact OE1-CG 3.02Å; E153-K168 IonicContact OE1-NZ 2.78Å; E153-K168 PolarHBondContact OE1-NZ 3.15Å; E153-K168 IonicContact OE2-NZ 2.7Å; E153-K168 PolarHBondContact OE2-NZ 2.99Å; E153-K168 VanDerWaalsContact OE2-NZ 3.09Å; E153-F169 WeakPolarHBondContact CA-O 3.44Å; E153-Y170 HydrophobicContact CB-CD1 4.46Å; E153-Y170 HydrophobicContact CB-CE1 4.11Å; E153-Y170 HydrophobicContact CG-CE1 4.09Å |
| 154 | E | 81.9 | Confident | 69.3 | Low | 80 Ų | 80 | 83.5 Ų | 83.5 | 37% | 0.374 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.1 | 169.5 | -168.8 | 178.1 | -179.8 | 0 | 0 | 108.4 | K113 F169 I171 | K113-E154 WeakPolarHBondContact CE-OE2 3.38Å; K113-E154 IonicContact NZ-OE1 3.04Å; K113-E154 PolarHBondContact NZ-OE1 2.9Å; K113-E154 IonicContact NZ-OE2 3.8Å; K113-E154 PolarHBondContact NZ-OE2 3.18Å; E154-F169 HydrophobicContact CB-CB 4.48Å; E154-F169 PolarHBondContact N-O 3.44Å; E154-F169 PolarHBondContact O-N 3.26Å; E154-I171 WeakPolarHBondContact OE2-CD1 3.48Å |
| 155 | T | 71.1 | Confident | 67.4 | Low | 62 Ų | 62 | 84.7 Ų | 84.7 | 38% | 0.38 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 120.2 | 173.1 | 41.4 | 0 | 0 | 0 | 0 | 108.6 | Q157 K168 | T155-Q157 PolarHBondContact O-N 2.95Å; T155-K168 HydrophobicContact CG2-CG 4.07Å |
| 156 | F | 57.6 | Low | 65.7 | Low | 133 Ų | 133 | 94 Ų | 94 | 58% | 0.583 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 113.9 | 166.8 | -170.4 | -96.9 | 0 | 0 | 0 | 107.5 | P158 R167 F169 | F156-P158 WeakPolarHBondContact O-CD 3.39Å; F156-R167 PolarHBondContact N-O 3.41Å; F156-F169 HydrophobicContact CB-CE2 4.4Å |
| 157 | Q | 49.4 | Very low | 64.5 | Low | 154 Ų | 154 | 98.5 Ų | 98.5 | 72% | 0.72 | 49% | 0.49 | S | S | * | . | trans | -86.4 | 115.8 | 167.2 | -67.6 | -169.4 | 26.1 | 0 | 0 | 107.3 | T155 | T155-Q157 PolarHBondContact O-N 2.95Š| ||
| 158 | P | 50.7 | Low | 64.1 | Low | 41 Ų | 41 | 101.6 Ų | 101.6 | 27% | 0.266 | 50% | 0.5 | S | S | . | . | trans | -61.9 | 158.1 | 164.2 | -4.5 | 19.5 | 0 | 0 | 0 | 109.2 | F156 V165 | F156-P158 WeakPolarHBondContact O-CD 3.39Å; P158-V165 WeakPolarHBondContact CG-O 3.35Å | ||
| 159 | D | 50.2 | Low | 64.3 | Low | 112 Ų | 112 | 96.2 Ų | 96.2 | 60% | 0.599 | 48% | 0.476 | S | S | * | . | trans | -34.7 | 141.5 | 171.5 | -170.6 | 38.7 | 0 | 0 | 0 | 112.5 | S161 N162 | D159-S161 PolarHBondContact O-N 3.27Å; D159-S161 PolarHBondContact OD2-OG 3Å; D159-N162 PolarHBondContact O-N 3.09Å | ||
| 160 | P | 55.9 | Low | 64.6 | Low | 121 Ų | 121 | 90.2 Ų | 90.2 | 79% | 0.786 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -13.5 | -174.2 | -23.9 | 34.5 | 0 | 0 | 0 | 114.8 | ||
| 161 | S | 54.6 | Low | 64.7 | Low | 96 Ų | 96 | 91.4 Ų | 91.4 | 67% | 0.671 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -17.4 | 176.5 | 64.4 | 0 | 0 | 0 | 0 | 114.4 | D159 | D159-S161 PolarHBondContact O-N 3.27Å; D159-S161 PolarHBondContact OD2-OG 3Å |
| 162 | N | 48.2 | Very low | 64.6 | Low | 53 Ų | 53 | 92.1 Ų | 92.1 | 28% | 0.283 | 46% | 0.459 | S | S | . | . | trans | -136.7 | 90.2 | -176.7 | -152.7 | -15.5 | 0 | 0 | 0 | 113 | D159 T164 N275 | D159-N162 PolarHBondContact O-N 3.09Å; N162-T164 VanDerWaalsContact C-N 3.25Å; N162-T164 PolarHBondContact O-N 2.8Å; N162-T164 VanDerWaalsContact O-N 3.17Å; N162-T164 PolarHBondContact OD1-OG1 3.46Å; N162-N275 PolarHBondContact ND2-O 2.7Å | ||
| 163 | Q | 49.6 | Very low | 64.1 | Low | 176 Ų | 176 | 92.3 Ų | 92.3 | 82% | 0.822 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 3.6 | -168.8 | -121.8 | 164 | 22.4 | 0 | 0 | 115.6 | ||
| 164 | T | 49.1 | Very low | 63.2 | Low | 79 Ų | 79 | 90.2 Ų | 90.2 | 49% | 0.485 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -16.7 | -155.3 | 51.6 | 0 | 0 | 0 | 0 | 116.7 | N162 | N162-T164 VanDerWaalsContact C-N 3.25Å; N162-T164 PolarHBondContact O-N 2.8Å; N162-T164 VanDerWaalsContact O-N 3.17Å; N162-T164 PolarHBondContact OD1-OG1 3.46Å |
| 165 | V | 48.4 | Very low | 62 | Low | 65 Ų | 65 | 90.9 Ų | 90.9 | 39% | 0.394 | 46% | 0.459 | S | S | . | . | trans | -128.8 | 87.5 | -177.3 | -164.7 | 0 | 0 | 0 | 0 | 112.5 | P158 R167 | P158-V165 WeakPolarHBondContact CG-O 3.35Å; V165-R167 HydrophobicContact CG1-CG 3.8Å; V165-R167 PolarHBondContact O-N 3.23Å | ||
| 166 | R | 50.6 | Low | 61.3 | Low | 200 Ų | 200 | 93.1 Ų | 93.1 | 76% | 0.755 | 47% | 0.469 | S | S | * | . | trans | -78.7 | 102.4 | 167 | -66.7 | -175.8 | -179.5 | -169.6 | -0.1 | 109.3 | ||||
| 167 | R | 60.9 | Low | 61.2 | Low | 164 Ų | 164 | 87.9 Ų | 87.9 | 62% | 0.619 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 131.6 | 172 | -64.2 | -171.3 | 178.1 | 159.4 | -0.3 | 110.1 | F156 V165 F169 | F156-R167 PolarHBondContact N-O 3.41Å; V165-R167 HydrophobicContact CG1-CG 3.8Å; V165-R167 PolarHBondContact O-N 3.23Å; R167-F169 HydrophobicContact CB-CE2 4.04Å |
| 168 | K | 73.9 | Confident | 61.3 | Low | 95 Ų | 95 | 82.5 Ų | 82.5 | 41% | 0.413 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.7 | 178 | -63.5 | 179.8 | 174.5 | -136.9 | 0 | 109.8 | E153 T155 Y170 | E153-K168 VanDerWaalsContact CD-NZ 3.29Å; E153-K168 HydrophobicContact CG-CB 4.28Å; E153-K168 HydrophobicContact CG-CD 4.35Å; E153-K168 HydrophobicContact CG-CG 4.27Å; E153-K168 WeakPolarHBondContact OE1-CD 3.03Å; E153-K168 WeakPolarHBondContact OE1-CE 3.45Å; E153-K168 WeakPolarHBondContact OE1-CG 3.02Å; E153-K168 IonicContact OE1-NZ 2.78Å; E153-K168 PolarHBondContact OE1-NZ 3.15Å; E153-K168 IonicContact OE2-NZ 2.7Å; E153-K168 PolarHBondContact OE2-NZ 2.99Å; E153-K168 VanDerWaalsContact OE2-NZ 3.09Å; T155-K168 HydrophobicContact CG2-CG 4.07Å; K168-Y170 HydrophobicContact CB-CE2 4.16Å |
| 169 | F | 81.9 | Confident | 61.3 | Low | 64 Ų | 64 | 88 Ų | 88 | 28% | 0.281 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 146.6 | 168.9 | -66 | -87.6 | 0 | 0 | 0 | 109 | K113 T115 E153 E154 F156 R167 | K113-F169 HydrophobicContact CB-CB 4.45Å; K113-F169 HydrophobicContact CB-CD1 4.43Å; T115-F169 HydrophobicContact CG2-CD1 3.81Å; T115-F169 HydrophobicContact CG2-CE1 3.62Å; T115-F169 HydrophobicContact CG2-CZ 4.38Å; E153-F169 WeakPolarHBondContact CA-O 3.44Å; E154-F169 HydrophobicContact CB-CB 4.48Å; E154-F169 PolarHBondContact N-O 3.44Å; E154-F169 PolarHBondContact O-N 3.26Å; F156-F169 HydrophobicContact CB-CE2 4.4Å; R167-F169 HydrophobicContact CB-CE2 4.04Å |
| 170 | Y | 84.9 | Confident | 61.2 | Low | 11 Ų | 11 | 88 Ų | 88 | 4% | 0.043 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.1 | 178.2 | -64 | -82.9 | 0 | 0 | 0 | 109.5 | I114 P116 L145 F151 D152 E153 K168 | I114-Y170 PolarHBondContact N-O 3.12Å; I114-Y170 PolarHBondContact O-N 2.93Å; P116-Y170 HydrophobicContact CG-CD2 4.19Å; P116-Y170 HydrophobicContact CG-CE2 3.61Å; L145-Y170 HydrophobicContact CB-CD1 3.91Å; L145-Y170 HydrophobicContact CB-CD2 4.17Å; L145-Y170 HydrophobicContact CB-CE1 3.96Å; L145-Y170 HydrophobicContact CB-CE2 4.22Å; L145-Y170 HydrophobicContact CB-CG 4.01Å; L145-Y170 HydrophobicContact CD1-CD2 4.19Å; L145-Y170 HydrophobicContact CD1-CE2 4.43Å; L145-Y170 HydrophobicContact CD2-CD2 4.36Å; L145-Y170 HydrophobicContact CD2-CG 4.01Å; L145-Y170 HydrophobicContact CG-CD2 4.48Å; L145-Y170 HydrophobicContact CG-CG 4.43Å; L145-Y170 WeakPolarHBondContact O-CD1 3.45Å; L145-Y170 WeakPolarHBondContact O-CE1 3.48Å; F151-Y170 HydrophobicContact CB-CD1 4.29Å; D152-Y170 WeakPolarHBondContact O-CA 2.91Å; E153-Y170 HydrophobicContact CB-CD1 4.46Å; E153-Y170 HydrophobicContact CB-CE1 4.11Å; E153-Y170 HydrophobicContact CG-CE1 4.09Å; K168-Y170 HydrophobicContact CB-CE2 4.16Å |
| 171 | I | 83.4 | Confident | 61.1 | Low | 45 Ų | 45 | 90 Ų | 90 | 23% | 0.231 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139 | 178.4 | -53.2 | -178.8 | 0 | 0 | 0 | 107.9 | K113 F151 D152 E154 K173 | K113-I171 HydrophobicContact CB-CG1 4.38Å; K113-I171 HydrophobicContact CD-CD1 3.85Å; K113-I171 HydrophobicContact CD-CG1 4.28Å; K113-I171 HydrophobicContact CG-CD1 3.93Å; K113-I171 HydrophobicContact CG-CG1 3.93Å; F151-I171 CarbonylContact C-O 3.48Å; F151-I171 VanDerWaalsContact CA-O 3.28Å; F151-I171 WeakPolarHBondContact CA-O 3.39Å; D152-I171 PolarHBondContact N-O 3.02Å; D152-I171 PolarHBondContact O-N 3.05Å; E154-I171 WeakPolarHBondContact OE2-CD1 3.48Å; I171-K173 PolarHBondContact O-N 2.63Å |
| 172 | V | 82.3 | Confident | 61.3 | Low | 20 Ų | 20 | 87.7 Ų | 87.7 | 12% | 0.121 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 123.5 | 171.9 | 175.3 | 0 | 0 | 0 | 0 | 109.2 | A103 C106 F151 N174 M177 | A103-V172 HydrophobicContact CB-CG2 4.29Å; C106-V172 HydrophobicContact CB-CG2 3.88Å; F151-V172 HydrophobicContact CD1-CG2 4.18Å; F151-V172 HydrophobicContact CE1-CG2 3.75Å; V172-N174 VanDerWaalsContact C-N 3.3Å; V172-N174 PolarHBondContact O-N 2.96Å; V172-M177 HydrophobicContact CG1-CB 4.4Å; V172-M177 HydrophobicContact CG1-SD 4.16Å |
| 173 | K | 75.6 | Confident | 62 | Low | 82 Ų | 82 | 85.9 Ų | 85.9 | 36% | 0.357 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -58 | -34.7 | -171.3 | -72.9 | -164.7 | 147.9 | -170.4 | 0 | 115.3 | K148 H150 F151 D152 I171 M177 | K148-K173 WeakPolarHBondContact O-CD 3.3Å; K148-K173 WeakPolarHBondContact O-CE 3.4Å; K148-K173 PolarHBondContact O-NZ 3.24Å; H150-K173 PolarHBondContact O-N 3.27Å; F151-K173 WeakPolarHBondContact O-CE 3.13Å; D152-K173 HydrophobicContact CB-CG 4.38Å; D152-K173 WeakPolarHBondContact OD1-CE 3.43Å; D152-K173 IonicContact OD1-NZ 3.25Å; D152-K173 PolarHBondContact OD1-NZ 3.45Å; D152-K173 WeakPolarHBondContact OD2-CE 3.27Å; D152-K173 WeakPolarHBondContact OD2-CG 2.89Å; I171-K173 PolarHBondContact O-N 2.63Å; K173-M177 HydrophobicContact CB-CE 4.23Å; K173-M177 HydrophobicContact CB-SD 4.08Å |
| 174 | N | 68.1 | Low | 62.9 | Low | 42 Ų | 42 | 80.3 Ų | 80.3 | 23% | 0.225 | 39% | 0.389 | C | S | . | . | trans | -134 | 114.9 | 178.4 | 156.5 | 16.9 | 0 | 0 | 0 | 108.4 | V172 N176 M177 Q180 | V172-N174 VanDerWaalsContact C-N 3.3Å; V172-N174 PolarHBondContact O-N 2.96Å; N174-N176 PolarHBondContact O-N 3.48Å; N174-N176 VanDerWaalsContact O-N 3.16Å; N174-N176 VanDerWaalsContact OD1-CA 3.32Å; N174-N176 WeakPolarHBondContact OD1-CA 3.12Å; N174-N176 VanDerWaalsContact OD1-CB 3.25Å; N174-N176 WeakPolarHBondContact OD1-CB 3.49Å; N174-N176 PolarHBondContact OD1-N 2.9Å; N174-M177 HydrophobicContact CB-CB 4.46Å; N174-M177 HydrophobicContact CB-CE 4.01Å; N174-M177 HydrophobicContact CB-CG 3.3Å; N174-M177 HydrophobicContact CB-SD 3.65Å; N174-M177 VanDerWaalsContact CG-CG 3.47Å; N174-M177 PolarHBondContact N-SD 2.85Å; N174-M177 WeakPolarHBondContact O-CA 3.43Å; N174-M177 WeakPolarHBondContact O-CB 3.15Å; N174-M177 WeakPolarHBondContact O-CG 3.38Å; N174-M177 PolarHBondContact O-N 2.95Å; N174-M177 PolarHBondContact OD1-N 3.05Å; N174-Q180 PolarHBondContact ND2-OE1 3.09Å | ||
| 175 | P | 55.8 | Low | 63.7 | Low | 93 Ų | 93 | 82.9 Ų | 82.9 | 60% | 0.604 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -59.6 | -25.6 | 179.9 | -24.9 | 33.4 | 0 | 0 | 0 | 113.4 | M177 | P175-M177 VanDerWaalsContact C-N 3.3Š|
| 176 | N | 55.7 | Low | 64.5 | Low | 109 Ų | 109 | 83.1 Ų | 83.1 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -83.1 | -1.4 | 173.1 | -57 | -53.1 | 0 | 0 | 0 | 112.8 | N174 I178 R179 Q180 | N174-N176 PolarHBondContact O-N 3.48Å; N174-N176 VanDerWaalsContact O-N 3.16Å; N174-N176 VanDerWaalsContact OD1-CA 3.32Å; N174-N176 WeakPolarHBondContact OD1-CA 3.12Å; N174-N176 VanDerWaalsContact OD1-CB 3.25Å; N174-N176 WeakPolarHBondContact OD1-CB 3.49Å; N174-N176 PolarHBondContact OD1-N 2.9Å; N176-I178 PolarHBondContact O-N 3.49Å; N176-R179 WeakPolarHBondContact O-CA 3.39Å; N176-R179 WeakPolarHBondContact O-CB 3.27Å; N176-R179 PolarHBondContact O-N 2.72Å; N176-Q180 PolarHBondContact O-N 3.25Å |
| 177 | M | 56.2 | Low | 65.4 | Low | 24 Ų | 24 | 74 Ų | 74 | 12% | 0.118 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -62.2 | -23.9 | 177.7 | -75.7 | 178.6 | 141.9 | 0 | 0 | 113.7 | V172 K173 N174 P175 R179 Q180 L182 | V172-M177 HydrophobicContact CG1-CB 4.4Å; V172-M177 HydrophobicContact CG1-SD 4.16Å; K173-M177 HydrophobicContact CB-CE 4.23Å; K173-M177 HydrophobicContact CB-SD 4.08Å; N174-M177 HydrophobicContact CB-CB 4.46Å; N174-M177 HydrophobicContact CB-CE 4.01Å; N174-M177 HydrophobicContact CB-CG 3.3Å; N174-M177 HydrophobicContact CB-SD 3.65Å; N174-M177 VanDerWaalsContact CG-CG 3.47Å; N174-M177 PolarHBondContact N-SD 2.85Å; N174-M177 WeakPolarHBondContact O-CA 3.43Å; N174-M177 WeakPolarHBondContact O-CB 3.15Å; N174-M177 WeakPolarHBondContact O-CG 3.38Å; N174-M177 PolarHBondContact O-N 2.95Å; N174-M177 PolarHBondContact OD1-N 3.05Å; P175-M177 VanDerWaalsContact C-N 3.3Å; M177-R179 PolarHBondContact O-N 2.77Å; M177-R179 VanDerWaalsContact O-N 3.14Å; M177-Q180 PolarHBondContact O-N 2.67Å; M177-Q180 VanDerWaalsContact O-N 3.07Å; M177-L182 HydrophobicContact CB-CD1 4.38Å; M177-L182 HydrophobicContact CB-CD2 4.24Å; M177-L182 HydrophobicContact CE-CD1 3.27Å; M177-L182 HydrophobicContact CE-CD2 3.64Å; M177-L182 HydrophobicContact CE-CG 4.08Å; M177-L182 HydrophobicContact CG-CD1 3.97Å; M177-L182 HydrophobicContact CG-CD2 4.18Å; M177-L182 HydrophobicContact SD-CD1 3.9Å; M177-L182 HydrophobicContact SD-CD2 3.41Å; M177-L182 WeakPolarHBondContact SD-CD2 3.44Å; M177-L182 HydrophobicContact SD-CG 4.29Å |
| 178 | I | 52 | Low | 65.6 | Low | 40 Ų | 40 | 68.2 Ų | 68.2 | 21% | 0.205 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -54.6 | -33.3 | 170.7 | -45.4 | -176.9 | 0 | 0 | 0 | 108.6 | R107 N176 F188 F191 | R107-I178 VanDerWaalsContact CD-CD1 3.47Å; R107-I178 HydrophobicContact CG-CD1 4.34Å; N176-I178 PolarHBondContact O-N 3.49Å; I178-F188 HydrophobicContact CB-CE2 4.23Å; I178-F188 HydrophobicContact CG2-CD2 3.7Å; I178-F188 HydrophobicContact CG2-CE2 3.56Å; I178-F188 WeakPolarHBondContact O-CD2 3.12Å; I178-F188 WeakPolarHBondContact O-CE2 3.5Å; I178-F191 HydrophobicContact CG2-CD2 3.99Å; I178-F191 HydrophobicContact CG2-CE2 4.46Å |
| 179 | R | 50.5 | Low | 65.1 | Low | 158 Ų | 158 | 67.2 Ų | 67.2 | 60% | 0.596 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -96.2 | -8.1 | 176 | -67.3 | -170.5 | 178.7 | -169 | 2.8 | 116 | N176 M177 F188 | N176-R179 WeakPolarHBondContact O-CA 3.39Å; N176-R179 WeakPolarHBondContact O-CB 3.27Å; N176-R179 PolarHBondContact O-N 2.72Å; M177-R179 PolarHBondContact O-N 2.77Å; M177-R179 VanDerWaalsContact O-N 3.14Å; R179-F188 HydrophobicContact CG-CE2 3.88Å; R179-F188 HydrophobicContact CG-CZ 3.69Å |
| 180 | Q | 47.8 | Very low | 64.3 | Low | 110 Ų | 110 | 67.1 Ų | 67.1 | 51% | 0.514 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | 90.9 | -171.1 | -71.5 | -177.4 | -13.1 | 0 | 0 | 111.4 | N174 N176 M177 L182 | N174-Q180 PolarHBondContact ND2-OE1 3.09Å; N176-Q180 PolarHBondContact O-N 3.25Å; M177-Q180 PolarHBondContact O-N 2.67Å; M177-Q180 VanDerWaalsContact O-N 3.07Å; Q180-L182 WeakPolarHBondContact O-CD1 3.48Å; Q180-L182 PolarHBondContact O-N 3.12Å |
| 181 | N | 53.1 | Low | 63.2 | Low | 165 Ų | 165 | 67.1 Ų | 67.1 | 88% | 0.882 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 0.5 | 155.1 | -64.5 | -13.5 | 0 | 0 | 0 | 120.4 | ||
| 182 | L | 58.6 | Low | 62.1 | Low | 46 Ų | 46 | 73.7 Ų | 73.7 | 24% | 0.241 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -81.9 | -25.4 | 173.9 | -97.6 | 77.4 | 0 | 0 | 0 | 113.7 | H150 M177 Q180 | H150-L182 HydrophobicContact CB-CD2 3.81Å; H150-L182 WeakPolarHBondContact CD2-CD2 3.36Å; H150-L182 WeakPolarHBondContact CD2-CG 3.2Å; M177-L182 HydrophobicContact CB-CD1 4.38Å; M177-L182 HydrophobicContact CB-CD2 4.24Å; M177-L182 HydrophobicContact CE-CD1 3.27Å; M177-L182 HydrophobicContact CE-CD2 3.64Å; M177-L182 HydrophobicContact CE-CG 4.08Å; M177-L182 HydrophobicContact CG-CD1 3.97Å; M177-L182 HydrophobicContact CG-CD2 4.18Å; M177-L182 HydrophobicContact SD-CD1 3.9Å; M177-L182 HydrophobicContact SD-CD2 3.41Å; M177-L182 WeakPolarHBondContact SD-CD2 3.44Å; M177-L182 HydrophobicContact SD-CG 4.29Å; Q180-L182 WeakPolarHBondContact O-CD1 3.48Å; Q180-L182 PolarHBondContact O-N 3.12Å |
| 183 | I | 64.3 | Low | 60.8 | Low | 15 Ų | 15 | 80.8 Ų | 80.8 | 8% | 0.077 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -127.8 | 137.9 | -169.3 | -63.4 | 176.7 | 0 | 0 | 0 | 105.8 | V99 A100 A103 D187 F191 | V99-I183 HydrophobicContact CG1-CG1 4.36Å; A100-I183 HydrophobicContact CB-CD1 4.36Å; A100-I183 HydrophobicContact CB-CG1 4.46Å; A100-I183 HydrophobicContact CB-CG2 3.94Å; A103-I183 HydrophobicContact CB-CD1 3.93Å; I183-D187 HydrophobicContact CG2-CB 3.08Å; I183-F191 HydrophobicContact CD1-CE2 3.69Å; I183-F191 HydrophobicContact CD1-CZ 4.23Å; I183-F191 HydrophobicContact CG2-CE2 3.88Å |
| 184 | S | 67.7 | Low | 59.7 | Low | 60 Ų | 60 | 78.1 Ų | 78.1 | 42% | 0.42 | 39% | 0.394 | S | S | . | . | trans | -62.2 | 152.1 | -178.2 | 66.5 | 0 | 0 | 0 | 0 | 111.3 | A186 D187 F188 | S184-A186 PolarHBondContact O-N 3.18Å; S184-A186 VanDerWaalsContact O-N 3.1Å; S184-D187 WeakPolarHBondContact O-CB 3.43Å; S184-D187 PolarHBondContact O-N 3.14Å; S184-D187 WeakPolarHBondContact OG-CB 3.36Å; S184-D187 PolarHBondContact OG-N 2.7Å; S184-D187 PolarHBondContact OG-OD2 3.07Å; S184-D187 VanDerWaalsContact OG-OD2 3.04Å; S184-F188 PolarHBondContact O-N 3.35Å | ||
| 185 | D | 65.8 | Low | 58.7 | Low | 132 Ų | 132 | 81.4 Ų | 81.4 | 71% | 0.706 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -55.1 | -31.6 | 175.8 | -66.6 | -34.1 | 0 | 0 | 0 | 111.9 | F188 D189 | D185-F188 PolarHBondContact O-N 3.35Å; D185-D189 WeakPolarHBondContact O-CB 3.33Å; D185-D189 PolarHBondContact O-N 2.96Å |
| 186 | A | 66.3 | Low | 58.5 | Low | 71 Ų | 71 | 80.2 Ų | 80.2 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.7 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | S184 F188 F190 | S184-A186 PolarHBondContact O-N 3.18Å; S184-A186 VanDerWaalsContact O-N 3.1Å; A186-F188 VanDerWaalsContact C-N 3.29Å; A186-F190 WeakPolarHBondContact O-CB 3.25Å; A186-F190 PolarHBondContact O-N 3.19Å |
| 187 | D | 67.9 | Low | 58.2 | Low | 9 Ų | 9 | 76.2 Ų | 76.2 | 5% | 0.048 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.4 | -35.4 | 173.9 | -73.2 | -31.4 | 0 | 0 | 0 | 110.8 | I96 S97 A100 I183 S184 F190 F191 | I96-D187 VanDerWaalsContact CA-OD1 3.29Å; I96-D187 WeakPolarHBondContact CA-OD1 3.46Å; S97-D187 WeakPolarHBondContact CB-OD2 3.14Å; S97-D187 PolarHBondContact N-OD1 3.3Å; S97-D187 PolarHBondContact OG-OD2 3.49Å; A100-D187 HydrophobicContact CB-CB 4.08Å; I183-D187 HydrophobicContact CG2-CB 3.08Å; S184-D187 WeakPolarHBondContact O-CB 3.43Å; S184-D187 PolarHBondContact O-N 3.14Å; S184-D187 WeakPolarHBondContact OG-CB 3.36Å; S184-D187 PolarHBondContact OG-N 2.7Å; S184-D187 PolarHBondContact OG-OD2 3.07Å; S184-D187 VanDerWaalsContact OG-OD2 3.04Å; D187-F190 WeakPolarHBondContact O-CB 2.96Å; D187-F190 PolarHBondContact O-N 2.77Å; D187-F191 VanDerWaalsContact O-CD2 3.23Å; D187-F191 WeakPolarHBondContact O-CD2 3.28Å; D187-F191 WeakPolarHBondContact O-CG 3.3Å; D187-F191 PolarHBondContact O-N 2.83Å; D187-F191 VanDerWaalsContact O-N 3.09Å |
| 188 | F | 65.5 | Low | 57.9 | Low | 42 Ų | 42 | 80 Ų | 80 | 18% | 0.184 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.3 | -46.6 | 176.5 | -176.3 | -108.6 | 0 | 0 | 0 | 112.6 | I178 R179 S184 D185 A186 F190 F191 R192 | I178-F188 HydrophobicContact CB-CE2 4.23Å; I178-F188 HydrophobicContact CG2-CD2 3.7Å; I178-F188 HydrophobicContact CG2-CE2 3.56Å; I178-F188 WeakPolarHBondContact O-CD2 3.12Å; I178-F188 WeakPolarHBondContact O-CE2 3.5Å; R179-F188 HydrophobicContact CG-CE2 3.88Å; R179-F188 HydrophobicContact CG-CZ 3.69Å; S184-F188 PolarHBondContact O-N 3.35Å; D185-F188 PolarHBondContact O-N 3.35Å; A186-F188 VanDerWaalsContact C-N 3.29Å; F188-F190 PolarHBondContact O-N 3.45Å; F188-F191 WeakPolarHBondContact O-CB 3.32Å; F188-F191 PolarHBondContact O-N 3.34Å; F188-F191 VanDerWaalsContact O-N 3.09Å; F188-R192 PolarHBondContact O-N 3.09Å |
| 189 | D | 64.9 | Low | 57.8 | Low | 73 Ų | 73 | 82.7 Ų | 82.7 | 39% | 0.39 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.1 | -34.7 | 174.9 | -85.6 | -13.1 | 0 | 0 | 0 | 111.9 | D185 R192 K193 | D185-D189 WeakPolarHBondContact O-CB 3.33Å; D185-D189 PolarHBondContact O-N 2.96Å; D189-R192 PolarHBondContact O-N 3.04Å; D189-K193 WeakPolarHBondContact O-CG 3.07Å; D189-K193 PolarHBondContact O-N 2.96Å |
| 190 | F | 64.7 | Low | 57.7 | Low | 62 Ų | 62 | 75.6 Ų | 75.6 | 27% | 0.272 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.8 | -50.7 | 170.2 | -176.7 | -87.4 | 0 | 0 | 0 | 110.7 | I96 W127 A186 D187 F188 R192 K193 D194 R196 | I96-F190 HydrophobicContact CD1-CD1 3.62Å; I96-F190 HydrophobicContact CD1-CD2 4.38Å; I96-F190 HydrophobicContact CD1-CE1 3.27Å; I96-F190 HydrophobicContact CD1-CE2 4.08Å; I96-F190 HydrophobicContact CD1-CG 4.18Å; I96-F190 HydrophobicContact CD1-CZ 3.54Å; I96-F190 HydrophobicContact CG1-CD1 4.19Å; I96-F190 HydrophobicContact CG1-CE1 4.28Å; I96-F190 HydrophobicContact CG1-CG 4.36Å; W127-F190 HydrophobicContact CZ2-CE1 4.2Å; A186-F190 WeakPolarHBondContact O-CB 3.25Å; A186-F190 PolarHBondContact O-N 3.19Å; D187-F190 WeakPolarHBondContact O-CB 2.96Å; D187-F190 PolarHBondContact O-N 2.77Å; F188-F190 PolarHBondContact O-N 3.45Å; F190-R192 PolarHBondContact O-N 3.42Å; F190-K193 PolarHBondContact O-N 2.81Å; F190-D194 HydrophobicContact CD1-CB 4.38Å; F190-D194 HydrophobicContact CE1-CB 4.07Å; F190-D194 VanDerWaalsContact CE1-OD2 3.28Å; F190-D194 WeakPolarHBondContact CE1-OD2 3.43Å; F190-D194 VanDerWaalsContact O-CB 3.22Å; F190-D194 WeakPolarHBondContact O-CB 3.29Å; F190-D194 PolarHBondContact O-N 2.89Å; F190-R196 VanDerWaalsContact CE1-NH2 3.32Å |
| 191 | F | 62.1 | Low | 57.8 | Low | 12 Ų | 12 | 71.3 Ų | 71.3 | 5% | 0.053 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.6 | -29.5 | 178.7 | -62.6 | -40.8 | 0 | 0 | 0 | 115 | A100 L104 I178 I183 D187 F188 | A100-F191 HydrophobicContact CB-CE1 4.35Å; A100-F191 HydrophobicContact CB-CE2 4.2Å; A100-F191 HydrophobicContact CB-CZ 3.53Å; A100-F191 WeakPolarHBondContact O-CZ 3.49Å; L104-F191 HydrophobicContact CB-CD1 4.37Å; L104-F191 HydrophobicContact CB-CE1 3.66Å; L104-F191 HydrophobicContact CB-CZ 4.2Å; L104-F191 HydrophobicContact CD1-CD1 3.81Å; L104-F191 HydrophobicContact CD1-CE1 3.98Å; L104-F191 HydrophobicContact CD2-CD1 4.01Å; L104-F191 HydrophobicContact CD2-CE1 3.86Å; L104-F191 HydrophobicContact CG-CD1 4.27Å; L104-F191 HydrophobicContact CG-CE1 4.02Å; I178-F191 HydrophobicContact CG2-CD2 3.99Å; I178-F191 HydrophobicContact CG2-CE2 4.46Å; I183-F191 HydrophobicContact CD1-CE2 3.69Å; I183-F191 HydrophobicContact CD1-CZ 4.23Å; I183-F191 HydrophobicContact CG2-CE2 3.88Å; D187-F191 VanDerWaalsContact O-CD2 3.23Å; D187-F191 WeakPolarHBondContact O-CD2 3.28Å; D187-F191 WeakPolarHBondContact O-CG 3.3Å; D187-F191 PolarHBondContact O-N 2.83Å; D187-F191 VanDerWaalsContact O-N 3.09Å; F188-F191 WeakPolarHBondContact O-CB 3.32Å; F188-F191 PolarHBondContact O-N 3.34Å; F188-F191 VanDerWaalsContact O-N 3.09Å |
| 192 | R | 58.7 | Low | 57.7 | Low | 182 Ų | 182 | 68.6 Ų | 68.6 | 69% | 0.687 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -75.1 | -33 | 179.4 | -164.3 | -178.5 | -159 | 144.3 | 1.9 | 112.2 | F188 D189 F190 | F188-R192 PolarHBondContact O-N 3.09Å; D189-R192 PolarHBondContact O-N 3.04Å; F190-R192 PolarHBondContact O-N 3.42Å |
| 193 | K | 55.1 | Low | 57 | Low | 169 Ų | 169 | 69.8 Ų | 69.8 | 74% | 0.735 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -94 | -17.5 | -178.1 | -66.9 | 173.4 | -177 | 169.2 | 0 | 112.9 | D189 F190 S195 | D189-K193 WeakPolarHBondContact O-CG 3.07Å; D189-K193 PolarHBondContact O-N 2.96Å; F190-K193 PolarHBondContact O-N 2.81Å; K193-S195 PolarHBondContact O-N 3.32Å |
| 194 | D | 53.8 | Low | 56.1 | Low | 27 Ų | 27 | 70.6 Ų | 70.6 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | trans | -71.9 | 109.3 | 179.8 | -169.7 | -2.7 | 0 | 0 | 0 | 111.3 | F190 R196 | F190-D194 HydrophobicContact CD1-CB 4.38Å; F190-D194 HydrophobicContact CE1-CB 4.07Å; F190-D194 VanDerWaalsContact CE1-OD2 3.28Å; F190-D194 WeakPolarHBondContact CE1-OD2 3.43Å; F190-D194 VanDerWaalsContact O-CB 3.22Å; F190-D194 WeakPolarHBondContact O-CB 3.29Å; F190-D194 PolarHBondContact O-N 2.89Å; D194-R196 VanDerWaalsContact CG-NE 3.28Å; D194-R196 PolarHBondContact O-N 2.97Å; D194-R196 WeakPolarHBondContact OD1-CB 3.22Å; D194-R196 WeakPolarHBondContact OD1-CD 3.28Å; D194-R196 WeakPolarHBondContact OD1-CG 3.49Å; D194-R196 IonicContact OD1-CZ 2.71Å; D194-R196 PolarHBondContact OD1-N 3.48Å; D194-R196 IonicContact OD1-NE 2.66Å; D194-R196 PolarHBondContact OD1-NE 3.43Å; D194-R196 IonicContact OD1-NH2 3.26Å; D194-R196 IonicContact OD2-CZ 3.39Å; D194-R196 VanDerWaalsContact OD2-CZ 3.26Å; D194-R196 IonicContact OD2-NE 3.7Å; D194-R196 PolarHBondContact OD2-NE 3.1Å; D194-R196 IonicContact OD2-NH2 3.74Å; D194-R196 PolarHBondContact OD2-NH2 3.38Å | ||
| 195 | S | 46.8 | Very low | 54.9 | Low | 111 Ų | 111 | 74 Ų | 74 | 78% | 0.776 | 37% | 0.369 | S | S | * | . | trans | -73.8 | -4.5 | 176.5 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | K193 G197 | K193-S195 PolarHBondContact O-N 3.32Å; S195-G197 PolarHBondContact O-N 3.09Å | ||
| 196 | R | 50.6 | Low | 53.8 | Low | 67 Ų | 67 | 69.8 Ų | 69.8 | 25% | 0.253 | 35% | 0.352 | S | S | . | . | trans | -76.8 | 74 | 177.6 | -57.1 | 169.5 | -55.9 | 166.4 | 10.9 | 109.3 | H126 W127 F190 D194 | H126-R196 PolarHBondContact O-NH1 2.81Å; W127-R196 VanDerWaalsContact CE2-NH2 3.27Å; F190-R196 VanDerWaalsContact CE1-NH2 3.32Å; D194-R196 VanDerWaalsContact CG-NE 3.28Å; D194-R196 PolarHBondContact O-N 2.97Å; D194-R196 WeakPolarHBondContact OD1-CB 3.22Å; D194-R196 WeakPolarHBondContact OD1-CD 3.28Å; D194-R196 WeakPolarHBondContact OD1-CG 3.49Å; D194-R196 IonicContact OD1-CZ 2.71Å; D194-R196 PolarHBondContact OD1-N 3.48Å; D194-R196 IonicContact OD1-NE 2.66Å; D194-R196 PolarHBondContact OD1-NE 3.43Å; D194-R196 IonicContact OD1-NH2 3.26Å; D194-R196 IonicContact OD2-CZ 3.39Å; D194-R196 VanDerWaalsContact OD2-CZ 3.26Å; D194-R196 IonicContact OD2-NE 3.7Å; D194-R196 PolarHBondContact OD2-NE 3.1Å; D194-R196 IonicContact OD2-NH2 3.74Å; D194-R196 PolarHBondContact OD2-NH2 3.38Å | ||
| 197 | G | 50.4 | Low | 52.3 | Low | 25 Ų | 25 | 67.6 Ų | 67.6 | 26% | 0.258 | 34% | 0.337 | S | S | . | . | trans | -80.2 | -160.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | S195 E199 | S195-G197 PolarHBondContact O-N 3.09Å; G197-E199 PolarHBondContact O-N 2.72Å | ||
| 198 | I | 49.1 | Very low | 50.8 | Low | 104 Ų | 104 | 74 Ų | 74 | 53% | 0.533 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -9.9 | -177.1 | -52.6 | 168.3 | 0 | 0 | 0 | 113.6 | N108 F200 Q202 | N108-I198 PolarHBondContact OD1-N 3.36Å; I198-F200 VanDerWaalsContact C-N 3.31Å; I198-F200 PolarHBondContact O-N 2.8Å; I198-Q202 VanDerWaalsContact CG2-CD 3.49Å; I198-Q202 HydrophobicContact CG2-CG 3.89Å; I198-Q202 VanDerWaalsContact CG2-NE2 3.29Å; I198-Q202 WeakPolarHBondContact O-CB 3.49Å; I198-Q202 WeakPolarHBondContact O-CG 3.43Å; I198-Q202 PolarHBondContact O-N 2.9Å |
| 199 | E | 51 | Low | 49.4 | Very low | 97 Ų | 97 | 73.8 Ų | 73.8 | 45% | 0.453 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.9 | -33.7 | -179 | -64.4 | -169.3 | -178.2 | 0 | 0 | 114.3 | G197 Q202 K203 | G197-E199 PolarHBondContact O-N 2.72Å; E199-Q202 PolarHBondContact O-N 3.23Å; E199-K203 HydrophobicContact CB-CD 4.2Å; E199-K203 WeakPolarHBondContact O-CA 3.4Å; E199-K203 WeakPolarHBondContact O-CB 3.44Å; E199-K203 WeakPolarHBondContact O-CG 3.21Å; E199-K203 PolarHBondContact O-N 3.45Å; E199-K203 WeakPolarHBondContact OE2-CE 3.48Å; E199-K203 IonicContact OE2-NZ 2.67Å; E199-K203 PolarHBondContact OE2-NZ 3.13Å |
| 200 | F | 48.4 | Very low | 48.3 | Very low | 9 Ų | 9 | 73.2 Ų | 73.2 | 4% | 0.039 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.9 | -53.5 | -177.2 | 169.3 | -105.7 | 0 | 0 | 0 | 112.5 | A121 F122 H125 H126 I198 K203 M204 I209 | A121-F200 HydrophobicContact CB-CZ 4.42Å; F122-F200 AromaticContact CD2-CD1 3.88Å; F122-F200 HydrophobicContact CD2-CD1 3.88Å; F122-F200 HydrophobicContact CD2-CE1 4.35Å; F122-F200 HydrophobicContact CD2-CG 4.48Å; H125-F200 HydrophobicContact CB-CD2 3.97Å; H125-F200 HydrophobicContact CB-CE2 3.71Å; H125-F200 HydrophobicContact CB-CZ 4.4Å; H125-F200 AromaticContact CD2-CD2 3.58Å; H125-F200 AromaticContact CD2-CE2 3.66Å; H125-F200 AromaticContact CE1-CD2 3.71Å; H125-F200 AromaticContact CG-CD2 3.41Å; H125-F200 VanDerWaalsContact CG-CD2 3.41Å; H125-F200 AromaticContact CG-CE2 3.56Å; H125-F200 AromaticContact ND1-CD2 3.5Å; H125-F200 WeakPolarHBondContact ND1-CD2 3.3Å; H125-F200 AromaticContact NE2-CD2 3.77Å; H126-F200 AromaticContact CE1-CG 3.85Å; I198-F200 VanDerWaalsContact C-N 3.31Å; I198-F200 PolarHBondContact O-N 2.8Å; F200-K203 PolarHBondContact O-N 3.2Å; F200-M204 HydrophobicContact CE1-CE 3.65Å; F200-M204 HydrophobicContact CE2-CE 3.92Å; F200-M204 HydrophobicContact CZ-CE 3.24Å; F200-M204 WeakPolarHBondContact O-CB 3.39Å; F200-M204 PolarHBondContact O-N 2.89Å; F200-I209 HydrophobicContact CD2-CD1 3.69Å; F200-I209 HydrophobicContact CE2-CD1 4.22Å |
| 201 | Y | 49 | Very low | 47.4 | Very low | 19 Ų | 19 | 71.5 Ų | 71.5 | 8% | 0.075 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.6 | -34.7 | 179.8 | -68 | -76.8 | 0 | 0 | 0 | 110.8 | N108 A109 I114 G118 F122 M204 F205 | N108-Y201 HydrophobicContact CB-CD2 3.85Å; N108-Y201 HydrophobicContact CB-CE2 3.86Å; N108-Y201 WeakPolarHBondContact O-CD2 3.22Å; A109-Y201 HydrophobicContact CB-CE2 4.35Å; I114-Y201 VanDerWaalsContact CD1-OH 3.22Å; I114-Y201 WeakPolarHBondContact CD1-OH 3.26Å; G118-Y201 PolarHBondContact O-OH 3.15Å; F122-Y201 AromaticContact CD2-CE2 3.73Å; F122-Y201 HydrophobicContact CD2-CE2 3.73Å; F122-Y201 HydrophobicContact CE2-CE2 4.28Å; Y201-M204 HydrophobicContact CD1-SD 4.5Å; Y201-M204 PolarHBondContact O-N 2.84Å; Y201-F205 WeakPolarHBondContact O-CB 3.45Å; Y201-F205 WeakPolarHBondContact O-CD2 3.46Å; Y201-F205 VanDerWaalsContact O-CG 3.3Å; Y201-F205 WeakPolarHBondContact O-CG 3.42Å; Y201-F205 PolarHBondContact O-N 3.47Å |
| 202 | Q | 50.3 | Low | 46.8 | Very low | 109 Ų | 109 | 74.3 Ų | 74.3 | 51% | 0.509 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 171.9 | -75.9 | 172.2 | -14 | 0 | 0 | 112.7 | I198 E199 F205 A206 | I198-Q202 VanDerWaalsContact CG2-CD 3.49Å; I198-Q202 HydrophobicContact CG2-CG 3.89Å; I198-Q202 VanDerWaalsContact CG2-NE2 3.29Å; I198-Q202 WeakPolarHBondContact O-CB 3.49Å; I198-Q202 WeakPolarHBondContact O-CG 3.43Å; I198-Q202 PolarHBondContact O-N 2.9Å; E199-Q202 PolarHBondContact O-N 3.23Å; Q202-F205 PolarHBondContact O-N 3.24Å; Q202-A206 WeakPolarHBondContact O-CB 3.29Å; Q202-A206 PolarHBondContact O-N 3.42Å |
| 203 | K | 45.2 | Very low | 46.3 | Very low | 71 Ų | 71 | 70.6 Ų | 70.6 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.4 | -36.2 | 176.8 | -72.8 | 176.7 | -179.8 | 169 | 0 | 111.5 | E199 F200 A206 G207 Q208 I209 | E199-K203 HydrophobicContact CB-CD 4.2Å; E199-K203 WeakPolarHBondContact O-CA 3.4Å; E199-K203 WeakPolarHBondContact O-CB 3.44Å; E199-K203 WeakPolarHBondContact O-CG 3.21Å; E199-K203 PolarHBondContact O-N 3.45Å; E199-K203 WeakPolarHBondContact OE2-CE 3.48Å; E199-K203 IonicContact OE2-NZ 2.67Å; E199-K203 PolarHBondContact OE2-NZ 3.13Å; F200-K203 PolarHBondContact O-N 3.2Å; K203-A206 CarbonylContact O-C 3.56Å; K203-G207 CarbonylContact O-C 3.45Å; K203-G207 PolarHBondContact O-N 3.42Å; K203-G207 VanDerWaalsContact O-N 3.09Å; K203-Q208 HydrophobicContact CB-CB 3.9Å; K203-Q208 HydrophobicContact CG-CB 4.14Å; K203-Q208 WeakPolarHBondContact O-CA 3.31Å; K203-Q208 PolarHBondContact O-N 3.04Å; K203-I209 HydrophobicContact CB-CD1 3.51Å; K203-I209 HydrophobicContact CB-CG1 3.75Å; K203-I209 HydrophobicContact CD-CD1 4.27Å; K203-I209 PolarHBondContact O-N 2.99Å; K203-I209 VanDerWaalsContact O-N 3.12Å |
| 204 | M | 43.8 | Very low | 46 | Very low | 31 Ų | 31 | 65.9 Ų | 65.9 | 15% | 0.153 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.7 | -51.3 | 171 | -176.4 | -176.8 | -70.6 | 0 | 0 | 110.6 | F200 Y201 A206 G207 L211 | F200-M204 HydrophobicContact CE1-CE 3.65Å; F200-M204 HydrophobicContact CE2-CE 3.92Å; F200-M204 HydrophobicContact CZ-CE 3.24Å; F200-M204 WeakPolarHBondContact O-CB 3.39Å; F200-M204 PolarHBondContact O-N 2.89Å; Y201-M204 HydrophobicContact CD1-SD 4.5Å; Y201-M204 PolarHBondContact O-N 2.84Å; M204-A206 VanDerWaalsContact C-N 3.34Å; M204-A206 PolarHBondContact O-N 2.71Å; M204-G207 PolarHBondContact O-N 3.18Å; M204-G207 VanDerWaalsContact O-N 3.1Å; M204-L211 HydrophobicContact CG-CD2 4.15Å; M204-L211 WeakPolarHBondContact O-CD2 3.48Å; M204-L211 WeakPolarHBondContact O-CG 3.38Å |
| 205 | F | 43.4 | Very low | 45.9 | Very low | 132 Ų | 132 | 67.1 Ų | 67.1 | 58% | 0.579 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -68 | -31.1 | 179 | -67.2 | -53 | 0 | 0 | 0 | 113.3 | P110 Y201 Q202 G207 | P110-F205 HydrophobicContact CB-CE2 4.44Å; P110-F205 HydrophobicContact CG-CE2 3.96Å; P110-F205 HydrophobicContact CG-CZ 3.95Å; Y201-F205 WeakPolarHBondContact O-CB 3.45Å; Y201-F205 WeakPolarHBondContact O-CD2 3.46Å; Y201-F205 VanDerWaalsContact O-CG 3.3Å; Y201-F205 WeakPolarHBondContact O-CG 3.42Å; Y201-F205 PolarHBondContact O-N 3.47Å; Q202-F205 PolarHBondContact O-N 3.24Å; F205-G207 PolarHBondContact O-N 3.47Å |
| 206 | A | 41.8 | Very low | 46.4 | Very low | 44 Ų | 44 | 61.9 Ų | 61.9 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 3.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q202 K203 M204 Q208 | Q202-A206 WeakPolarHBondContact O-CB 3.29Å; Q202-A206 PolarHBondContact O-N 3.42Å; K203-A206 CarbonylContact O-C 3.56Å; M204-A206 VanDerWaalsContact C-N 3.34Å; M204-A206 PolarHBondContact O-N 2.71Å; A206-Q208 HydrophobicContact CB-CG 4.19Å; A206-Q208 PolarHBondContact O-N 3.22Å |
| 207 | G | 34.8 | Very low | 46.6 | Very low | 25 Ų | 25 | 61.1 Ų | 61.1 | 26% | 0.258 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 10.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | K203 M204 F205 I209 | K203-G207 CarbonylContact O-C 3.45Å; K203-G207 PolarHBondContact O-N 3.42Å; K203-G207 VanDerWaalsContact O-N 3.09Å; M204-G207 PolarHBondContact O-N 3.18Å; M204-G207 VanDerWaalsContact O-N 3.1Å; F205-G207 PolarHBondContact O-N 3.47Å; G207-I209 VanDerWaalsContact C-N 3.28Å |
| 208 | Q | 36.8 | Very low | 46.7 | Very low | 143 Ų | 143 | 66.2 Ų | 66.2 | 67% | 0.668 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -78.5 | -13.9 | 176.3 | -59.6 | -179.4 | 8.3 | 0 | 0 | 112.6 | K203 A206 | K203-Q208 HydrophobicContact CB-CB 3.9Å; K203-Q208 HydrophobicContact CG-CB 4.14Å; K203-Q208 WeakPolarHBondContact O-CA 3.31Å; K203-Q208 PolarHBondContact O-N 3.04Å; A206-Q208 HydrophobicContact CB-CG 4.19Å; A206-Q208 PolarHBondContact O-N 3.22Å |
| 209 | I | 37 | Very low | 46.7 | Very low | 37 Ų | 37 | 64.7 Ų | 64.7 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -121.7 | 139.2 | 168.1 | -66.1 | 168.4 | 0 | 0 | 0 | 106.6 | F200 K203 G207 L211 | F200-I209 HydrophobicContact CD2-CD1 3.69Å; F200-I209 HydrophobicContact CE2-CD1 4.22Å; K203-I209 HydrophobicContact CB-CD1 3.51Å; K203-I209 HydrophobicContact CB-CG1 3.75Å; K203-I209 HydrophobicContact CD-CD1 4.27Å; K203-I209 PolarHBondContact O-N 2.99Å; K203-I209 VanDerWaalsContact O-N 3.12Å; G207-I209 VanDerWaalsContact C-N 3.28Å; I209-L211 PolarHBondContact O-N 3.15Å |
| 210 | G | 41.6 | Very low | 47 | Very low | 62 Ų | 62 | 60.6 Ų | 60.6 | 64% | 0.639 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -49.7 | 116.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 211 | L | 45.4 | Very low | 47.3 | Very low | 26 Ų | 26 | 60.4 Ų | 60.4 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 150.9 | 177.6 | -81.4 | 161.4 | 0 | 0 | 0 | 110.7 | M204 I209 R213 L215 Y237 L240 | M204-L211 HydrophobicContact CG-CD2 4.15Å; M204-L211 WeakPolarHBondContact O-CD2 3.48Å; M204-L211 WeakPolarHBondContact O-CG 3.38Å; I209-L211 PolarHBondContact O-N 3.15Å; L211-R213 PolarHBondContact O-N 2.91Å; L211-L215 HydrophobicContact CD1-CD2 4.43Å; L211-Y237 HydrophobicContact CB-CD1 3.42Å; L211-Y237 VanDerWaalsContact CB-CD1 3.42Å; L211-Y237 HydrophobicContact CB-CE1 3.36Å; L211-Y237 HydrophobicContact CB-CG 4.33Å; L211-Y237 HydrophobicContact CD1-CD1 3.68Å; L211-Y237 HydrophobicContact CD1-CE1 4.15Å; L211-Y237 HydrophobicContact CG-CD1 4.2Å; L211-Y237 HydrophobicContact CG-CE1 4.4Å; L211-L240 HydrophobicContact CD1-CD2 3.33Å; L211-L240 HydrophobicContact CD1-CG 4.2Å |
| 212 | P | 48.9 | Very low | 47.6 | Very low | 71 Ų | 71 | 65 Ų | 65 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 127.5 | -179.9 | -17.6 | 29.5 | 0 | 0 | 0 | 110.4 | S214 L215 Y237 | P212-S214 PolarHBondContact O-N 3.26Å; P212-L215 PolarHBondContact O-N 3.47Å; P212-Y237 PolarHBondContact O-OH 3.22Å |
| 213 | R | 49.5 | Very low | 47.7 | Very low | 104 Ų | 104 | 65.3 Ų | 65.3 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -23.5 | -178.1 | -158.5 | 175.6 | 170.1 | 168.3 | -17.4 | 113.7 | L211 L215 F216 Y217 Y237 E266 | L211-R213 PolarHBondContact O-N 2.91Å; R213-L215 VanDerWaalsContact C-N 3.29Å; R213-L215 PolarHBondContact O-N 3.33Å; R213-F216 PolarHBondContact O-N 2.95Å; R213-Y217 HydrophobicContact CG-CD2 4.13Å; R213-Y217 HydrophobicContact CG-CE2 3.68Å; R213-Y217 PolarHBondContact NE-OH 3.34Å; R213-Y217 PolarHBondContact NH2-OH 3.32Å; R213-Y217 VanDerWaalsContact O-CD2 3.32Å; R213-Y217 WeakPolarHBondContact O-CD2 3.33Å; R213-Y217 PolarHBondContact O-N 3.2Å; R213-Y237 WeakPolarHBondContact CA-OH 3.45Å; R213-Y237 PolarHBondContact O-OH 3.24Å; R213-Y237 VanDerWaalsContact O-OH 3.09Å; R213-E266 IonicContact CZ-OE1 3.85Å; R213-E266 IonicContact NH1-OE1 3.09Å; R213-E266 IonicContact NH2-OE1 3.34Å; R213-E266 PolarHBondContact NH2-OE1 3.3Å |
| 214 | S | 49.2 | Very low | 48.5 | Very low | 70 Ų | 70 | 63 Ų | 63 | 49% | 0.49 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.8 | -30.1 | 175.5 | 59.6 | 0 | 0 | 0 | 0 | 114.9 | P212 Y217 Q218 | P212-S214 PolarHBondContact O-N 3.26Å; S214-Y217 PolarHBondContact O-N 3.23Å; S214-Q218 VanDerWaalsContact O-CB 3.3Å; S214-Q218 WeakPolarHBondContact O-CB 3.4Å; S214-Q218 PolarHBondContact O-N 2.91Å |
| 215 | L | 50.6 | Low | 49.3 | Very low | 53 Ų | 53 | 65.8 Ų | 65.8 | 28% | 0.277 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | -179.3 | -177.1 | 63.9 | 0 | 0 | 0 | 111.1 | L211 P212 R213 Q218 I219 F236 Y237 L240 | L211-L215 HydrophobicContact CD1-CD2 4.43Å; P212-L215 PolarHBondContact O-N 3.47Å; R213-L215 VanDerWaalsContact C-N 3.29Å; R213-L215 PolarHBondContact O-N 3.33Å; L215-Q218 PolarHBondContact O-N 2.9Å; L215-I219 HydrophobicContact CD1-CD1 3.52Å; L215-I219 HydrophobicContact CD1-CG1 4.42Å; L215-I219 HydrophobicContact CG-CD1 3.9Å; L215-I219 WeakPolarHBondContact O-CG1 3.47Å; L215-I219 PolarHBondContact O-N 2.88Å; L215-I219 VanDerWaalsContact O-N 3.09Å; L215-F236 HydrophobicContact CB-CE1 4.44Å; L215-F236 HydrophobicContact CD2-CE1 4.12Å; L215-F236 HydrophobicContact CD2-CZ 4.47Å; L215-F236 HydrophobicContact CG-CE1 3.93Å; L215-F236 HydrophobicContact CG-CZ 4.14Å; L215-Y237 HydrophobicContact CB-CE1 4.17Å; L215-Y237 HydrophobicContact CD2-CE1 4.35Å; L215-L240 HydrophobicContact CD2-CD2 3.81Å |
| 216 | F | 58.1 | Low | 50.1 | Low | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 173.7 | 167 | -107.1 | 0 | 0 | 0 | 112.3 | R213 Q218 I219 I220 G221 L227 N232 S233 F236 Y237 | R213-F216 PolarHBondContact O-N 2.95Å; F216-Q218 VanDerWaalsContact C-N 3.3Å; F216-Q218 PolarHBondContact O-N 3.18Å; F216-I219 PolarHBondContact O-N 3.23Å; F216-I220 HydrophobicContact CD2-CB 3.93Å; F216-I220 HydrophobicContact CD2-CG1 4.16Å; F216-I220 HydrophobicContact CD2-CG2 4.48Å; F216-I220 HydrophobicContact CE2-CB 3.7Å; F216-I220 HydrophobicContact CE2-CG1 4.16Å; F216-I220 HydrophobicContact CE2-CG2 3.76Å; F216-I220 HydrophobicContact CZ-CB 4.42Å; F216-I220 HydrophobicContact CZ-CG2 4.22Å; F216-I220 WeakPolarHBondContact O-CA 3.37Å; F216-I220 PolarHBondContact O-N 3.45Å; F216-G221 PolarHBondContact O-N 3.2Å; F216-G221 VanDerWaalsContact O-N 3.1Å; F216-L227 WeakPolarHBondContact CZ-O 3.48Å; F216-N232 VanDerWaalsContact CE2-C 3.46Å; F216-N232 HydrophobicContact CE2-CB 3.96Å; F216-N232 WeakPolarHBondContact CE2-O 3.32Å; F216-N232 HydrophobicContact CZ-CB 3.71Å; F216-S233 VanDerWaalsContact CE1-CB 3.47Å; F216-F236 HydrophobicContact CB-CD1 3.74Å; F216-F236 HydrophobicContact CB-CE1 4.21Å; F216-F236 HydrophobicContact CB-CG 4.17Å; F216-F236 HydrophobicContact CD2-CB 3.48Å; F216-F236 VanDerWaalsContact CD2-CB 3.48Å; F216-F236 HydrophobicContact CD2-CD1 4.12Å; F216-F236 HydrophobicContact CD2-CD2 4.17Å; F216-F236 AromaticContact CD2-CG 3.66Å; F216-F236 HydrophobicContact CD2-CG 3.66Å; F216-F236 HydrophobicContact CE2-CB 4.09Å; F216-F236 HydrophobicContact CG-CB 4.38Å; F216-F236 HydrophobicContact CG-CD1 4.43Å; F216-F236 HydrophobicContact CG-CG 4.4Å; F216-Y237 HydrophobicContact CB-CE2 4.02Å; F216-Y237 VanDerWaalsContact CB-OH 3.27Å; F216-Y237 WeakPolarHBondContact CB-OH 3.35Å; F216-Y237 PolarHBondContact N-OH 2.99Å |
| 217 | Y | 55.1 | Low | 51.1 | Low | 52 Ų | 52 | 61.5 Ų | 61.5 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -66.6 | -33.9 | 178.7 | -71.9 | -74.8 | 0 | 0 | 0 | 111.7 | R213 S214 I219 G221 N222 A228 | R213-Y217 HydrophobicContact CG-CD2 4.13Å; R213-Y217 HydrophobicContact CG-CE2 3.68Å; R213-Y217 PolarHBondContact NE-OH 3.34Å; R213-Y217 PolarHBondContact NH2-OH 3.32Å; R213-Y217 VanDerWaalsContact O-CD2 3.32Å; R213-Y217 WeakPolarHBondContact O-CD2 3.33Å; R213-Y217 PolarHBondContact O-N 3.2Å; S214-Y217 PolarHBondContact O-N 3.23Å; Y217-I219 PolarHBondContact O-N 2.87Å; Y217-G221 CarbonylContact O-C 3.49Å; Y217-G221 PolarHBondContact O-N 2.89Å; Y217-N222 VanDerWaalsContact O-CB 3.28Å; Y217-N222 WeakPolarHBondContact O-CB 3.4Å; Y217-N222 PolarHBondContact O-N 3.37Å; Y217-N222 PolarHBondContact O-ND2 3.31Å; Y217-N222 PolarHBondContact O-OD1 2.61Å; Y217-A228 HydrophobicContact CD1-CB 4.24Å; Y217-A228 HydrophobicContact CE1-CB 3.93Å |
| 218 | Q | 50.9 | Low | 52.4 | Low | 132 Ų | 132 | 61.6 Ų | 61.6 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | I | π-helix | trans | -68.1 | -33.8 | 176.4 | -172.1 | 174.7 | -2.7 | 0 | 0 | 113.3 | S214 L215 F216 | S214-Q218 VanDerWaalsContact O-CB 3.3Å; S214-Q218 WeakPolarHBondContact O-CB 3.4Å; S214-Q218 PolarHBondContact O-N 2.91Å; L215-Q218 PolarHBondContact O-N 2.9Å; F216-Q218 VanDerWaalsContact C-N 3.3Å; F216-Q218 PolarHBondContact O-N 3.18Å |
| 219 | I | 49.8 | Very low | 53.6 | Low | 71 Ų | 71 | 55 Ų | 55 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -96.1 | -38.5 | -174 | -67.4 | 167.5 | 0 | 0 | 0 | 112.4 | L215 F216 Y217 F236 | L215-I219 HydrophobicContact CD1-CD1 3.52Å; L215-I219 HydrophobicContact CD1-CG1 4.42Å; L215-I219 HydrophobicContact CG-CD1 3.9Å; L215-I219 WeakPolarHBondContact O-CG1 3.47Å; L215-I219 PolarHBondContact O-N 2.88Å; L215-I219 VanDerWaalsContact O-N 3.09Å; F216-I219 PolarHBondContact O-N 3.23Å; Y217-I219 PolarHBondContact O-N 2.87Å; I219-F236 HydrophobicContact CB-CE2 4.1Å; I219-F236 HydrophobicContact CB-CZ 4.22Å; I219-F236 HydrophobicContact CD1-CE2 4.22Å; I219-F236 HydrophobicContact CD1-CZ 3.65Å; I219-F236 HydrophobicContact CG2-CE2 3.87Å; I219-F236 HydrophobicContact CG2-CZ 4.37Å |
| 220 | I | 57.6 | Low | 54.4 | Low | 12 Ų | 12 | 55.5 Ų | 55.5 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -115.4 | -50.5 | -175.7 | -58.7 | -63.1 | 0 | 0 | 0 | 110.8 | F216 N222 E223 I224 L227 F236 V246 F254 | F216-I220 HydrophobicContact CD2-CB 3.93Å; F216-I220 HydrophobicContact CD2-CG1 4.16Å; F216-I220 HydrophobicContact CD2-CG2 4.48Å; F216-I220 HydrophobicContact CE2-CB 3.7Å; F216-I220 HydrophobicContact CE2-CG1 4.16Å; F216-I220 HydrophobicContact CE2-CG2 3.76Å; F216-I220 HydrophobicContact CZ-CB 4.42Å; F216-I220 HydrophobicContact CZ-CG2 4.22Å; F216-I220 WeakPolarHBondContact O-CA 3.37Å; F216-I220 PolarHBondContact O-N 3.45Å; I220-N222 PolarHBondContact O-N 2.9Å; I220-E223 PolarHBondContact O-N 3.44Å; I220-I224 CarbonylContact O-C 3.59Å; I220-I224 WeakPolarHBondContact O-CA 3.31Å; I220-I224 PolarHBondContact O-N 2.71Å; I220-L227 HydrophobicContact CG2-CB 3.72Å; I220-L227 HydrophobicContact CG2-CD1 4.35Å; I220-F236 HydrophobicContact CG1-CD2 3.88Å; I220-F236 HydrophobicContact CG1-CE2 4.23Å; I220-V246 HydrophobicContact CD1-CG1 4.27Å; I220-F254 HydrophobicContact CD1-CE2 4.33Å; I220-F254 HydrophobicContact CD1-CZ 4.5Å; I220-F254 HydrophobicContact CG1-CZ 4.47Å |
| 221 | G | 55.3 | Low | 55.3 | Low | 5 Ų | 5 | 54.2 Ų | 54.2 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -66.2 | -34 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F216 Y217 P225 | F216-G221 PolarHBondContact O-N 3.2Å; F216-G221 VanDerWaalsContact O-N 3.1Å; Y217-G221 CarbonylContact O-C 3.49Å; Y217-G221 PolarHBondContact O-N 2.89Å; G221-P225 VanDerWaalsContact O-CA 3.27Å; G221-P225 WeakPolarHBondContact O-CA 3.32Å |
| 222 | N | 53.9 | Low | 56.4 | Low | 116 Ų | 116 | 53 Ų | 53 | 62% | 0.62 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -34.5 | -179.6 | -71.4 | -9.4 | 0 | 0 | 0 | 112.1 | Y217 I220 | Y217-N222 VanDerWaalsContact O-CB 3.28Å; Y217-N222 WeakPolarHBondContact O-CB 3.4Å; Y217-N222 PolarHBondContact O-N 3.37Å; Y217-N222 PolarHBondContact O-ND2 3.31Å; Y217-N222 PolarHBondContact O-OD1 2.61Å; I220-N222 PolarHBondContact O-N 2.9Å |
| 223 | E | 52.9 | Low | 57.2 | Low | 115 Ų | 115 | 50 Ų | 50 | 54% | 0.537 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -33.8 | 179.1 | -62.3 | -64.8 | 132.5 | 0 | 0 | 111.2 | I220 Y248 | I220-E223 PolarHBondContact O-N 3.44Å; E223-Y248 PolarHBondContact OE2-OH 3.22Å |
| 224 | I | 62.6 | Low | 57.7 | Low | 23 Ų | 23 | 46.8 Ų | 46.8 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | trans | -140.3 | 76.7 | -174 | -42.8 | -179.9 | 0 | 0 | 0 | 110.3 | I220 F226 L227 L249 T251 | I220-I224 CarbonylContact O-C 3.59Å; I220-I224 WeakPolarHBondContact O-CA 3.31Å; I220-I224 PolarHBondContact O-N 2.71Å; I224-F226 VanDerWaalsContact C-N 3.27Å; I224-F226 HydrophobicContact CG2-CD1 3.8Å; I224-F226 HydrophobicContact CG2-CD2 3.92Å; I224-F226 HydrophobicContact CG2-CE1 3.26Å; I224-F226 HydrophobicContact CG2-CE2 3.4Å; I224-F226 VanDerWaalsContact CG2-CE2 3.4Å; I224-F226 HydrophobicContact CG2-CG 4.12Å; I224-F226 HydrophobicContact CG2-CZ 3.05Å; I224-F226 PolarHBondContact O-N 3.23Å; I224-F226 VanDerWaalsContact O-N 3.15Å; I224-L227 HydrophobicContact CB-CB 4.43Å; I224-L227 HydrophobicContact CB-CD1 4.04Å; I224-L227 HydrophobicContact CB-CG 4.25Å; I224-L227 HydrophobicContact CD1-CD1 4.03Å; I224-L227 HydrophobicContact CG2-CB 4.26Å; I224-L227 HydrophobicContact CG2-CD1 3.62Å; I224-L227 HydrophobicContact CG2-CG 3.64Å; I224-L227 WeakPolarHBondContact O-CB 3.23Å; I224-L227 PolarHBondContact O-N 3.31Å; I224-L249 HydrophobicContact CD1-CD2 3.62Å; I224-T251 HydrophobicContact CD1-CG2 3.83Å | ||
| 225 | P | 59.2 | Low | 58.4 | Low | 89 Ų | 89 | 43.7 Ų | 43.7 | 58% | 0.578 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -59.3 | -30.3 | -171.8 | -27.4 | 36 | 0 | 0 | 0 | 115.3 | G221 L227 A228 | G221-P225 VanDerWaalsContact O-CA 3.27Å; G221-P225 WeakPolarHBondContact O-CA 3.32Å; P225-L227 PolarHBondContact O-N 3.29Å; P225-A228 WeakPolarHBondContact O-CB 3.33Å; P225-A228 PolarHBondContact O-N 2.98Å |
| 226 | F | 61.1 | Low | 59.1 | Low | 84 Ų | 84 | 41.3 Ų | 41.3 | 37% | 0.368 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -69.7 | -9.9 | 175.8 | 58.3 | -95.5 | 0 | 0 | 0 | 113.3 | I224 E256 H257 Y258 | I224-F226 VanDerWaalsContact C-N 3.27Å; I224-F226 HydrophobicContact CG2-CD1 3.8Å; I224-F226 HydrophobicContact CG2-CD2 3.92Å; I224-F226 HydrophobicContact CG2-CE1 3.26Å; I224-F226 HydrophobicContact CG2-CE2 3.4Å; I224-F226 VanDerWaalsContact CG2-CE2 3.4Å; I224-F226 HydrophobicContact CG2-CG 4.12Å; I224-F226 HydrophobicContact CG2-CZ 3.05Å; I224-F226 PolarHBondContact O-N 3.23Å; I224-F226 VanDerWaalsContact O-N 3.15Å; F226-E256 HydrophobicContact CD2-CB 4.23Å; F226-E256 HydrophobicContact CD2-CG 3.88Å; F226-E256 HydrophobicContact CE2-CG 4.11Å; F226-H257 PolarHBondContact O-N 3.15Å; F226-Y258 HydrophobicContact CB-CE1 4.38Å |
| 227 | L | 62.3 | Low | 59.1 | Low | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -98.3 | 2 | 169.8 | -59.3 | -178.7 | 0 | 0 | 0 | 112.2 | F216 I220 I224 P225 G229 N232 T251 F254 R255 E256 | F216-L227 WeakPolarHBondContact CZ-O 3.48Å; I220-L227 HydrophobicContact CG2-CB 3.72Å; I220-L227 HydrophobicContact CG2-CD1 4.35Å; I224-L227 HydrophobicContact CB-CB 4.43Å; I224-L227 HydrophobicContact CB-CD1 4.04Å; I224-L227 HydrophobicContact CB-CG 4.25Å; I224-L227 HydrophobicContact CD1-CD1 4.03Å; I224-L227 HydrophobicContact CG2-CB 4.26Å; I224-L227 HydrophobicContact CG2-CD1 3.62Å; I224-L227 HydrophobicContact CG2-CG 3.64Å; I224-L227 WeakPolarHBondContact O-CB 3.23Å; I224-L227 PolarHBondContact O-N 3.31Å; P225-L227 PolarHBondContact O-N 3.29Å; L227-G229 PolarHBondContact O-N 2.85Å; L227-N232 WeakPolarHBondContact CA-ND2 3.45Å; L227-N232 WeakPolarHBondContact O-CB 3.35Å; L227-N232 PolarHBondContact O-ND2 2.92Å; L227-T251 HydrophobicContact CD1-CG2 3.79Å; L227-F254 HydrophobicContact CB-CB 4.43Å; L227-F254 HydrophobicContact CD1-CB 4Å; L227-F254 HydrophobicContact CD2-CB 3.87Å; L227-F254 HydrophobicContact CG-CB 4.32Å; L227-R255 WeakPolarHBondContact CD2-O 3.32Å; L227-E256 HydrophobicContact CD2-CG 4.01Å |
| 228 | A | 62.7 | Low | 59.2 | Low | 27 Ų | 27 | 45.6 Ų | 45.6 | 22% | 0.223 | 24% | 0.24 | C | C | . | . | trans | -79.5 | 37.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y217 P225 | Y217-A228 HydrophobicContact CD1-CB 4.24Å; Y217-A228 HydrophobicContact CE1-CB 3.93Å; P225-A228 WeakPolarHBondContact O-CB 3.33Å; P225-A228 PolarHBondContact O-N 2.98Å | ||
| 229 | G | 62.1 | Low | 59.4 | Low | 4 Ų | 4 | 39.8 Ų | 39.8 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | trans | -83 | 155.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | L227 E231 N232 S233 | L227-G229 PolarHBondContact O-N 2.85Å; G229-E231 VanDerWaalsContact C-N 3.25Å; G229-E231 PolarHBondContact O-N 3.38Å; G229-N232 PolarHBondContact O-N 3.23Å; G229-S233 PolarHBondContact O-N 3.44Å | ||
| 230 | P | 54.7 | Low | 59.6 | Low | 48 Ų | 48 | 38.9 Ų | 38.9 | 31% | 0.312 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.6 | -34.4 | 175.9 | 21.7 | -27.7 | 0 | 0 | 0 | 112.5 | S233 S234 | P230-S233 PolarHBondContact O-N 3.33Å; P230-S233 PolarHBondContact O-OG 3.49Å; P230-S234 PolarHBondContact O-N 3.26Å; P230-S234 VanDerWaalsContact O-N 3.14Å; P230-S234 PolarHBondContact O-OG 3.24Å |
| 231 | E | 59.6 | Low | 59 | Low | 34 Ų | 34 | 40.1 Ų | 40.1 | 16% | 0.159 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -44.6 | 176.1 | -63.4 | 81.5 | 175.8 | 0 | 0 | 111.7 | G229 S233 S234 M235 H257 I315 | G229-E231 VanDerWaalsContact C-N 3.25Å; G229-E231 PolarHBondContact O-N 3.38Å; E231-S233 VanDerWaalsContact C-N 3.31Å; E231-S233 PolarHBondContact O-N 3.29Å; E231-S234 PolarHBondContact O-N 3.37Å; E231-M235 PolarHBondContact O-N 3.1Å; E231-H257 IonicContact OE2-CE1 3.09Å; E231-H257 PolarHBondContact OE2-CE1 3.45Å; E231-H257 IonicContact OE2-NE2 3.47Å; E231-H257 PolarHBondContact OE2-NE2 2.85Å; E231-I315 HydrophobicContact CB-CG2 3.85Å; E231-I315 HydrophobicContact CG-CG2 3.83Å |
| 232 | N | 67.6 | Low | 58.6 | Low | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.5 | -33.9 | 176.8 | -73.5 | -13.8 | 0 | 0 | 0 | 112 | F216 L227 G229 S234 M235 F236 F254 R255 | F216-N232 VanDerWaalsContact CE2-C 3.46Å; F216-N232 HydrophobicContact CE2-CB 3.96Å; F216-N232 WeakPolarHBondContact CE2-O 3.32Å; F216-N232 HydrophobicContact CZ-CB 3.71Å; L227-N232 WeakPolarHBondContact CA-ND2 3.45Å; L227-N232 WeakPolarHBondContact O-CB 3.35Å; L227-N232 PolarHBondContact O-ND2 2.92Å; G229-N232 PolarHBondContact O-N 3.23Å; N232-S234 VanDerWaalsContact C-N 3.34Å; N232-M235 PolarHBondContact O-N 3.14Å; N232-F236 VanDerWaalsContact O-CB 3.3Å; N232-F236 WeakPolarHBondContact O-CB 3.34Å; N232-F236 PolarHBondContact O-N 2.88Å; N232-F254 HydrophobicContact CB-CD1 3.68Å; N232-F254 HydrophobicContact CB-CE1 4.42Å; N232-F254 WeakPolarHBondContact O-CE1 3.49Å; N232-F254 WeakPolarHBondContact OD1-CA 3.37Å; N232-R255 PolarHBondContact ND2-O 3.09Å; N232-R255 PolarHBondContact OD1-N 3.09Å |
| 233 | S | 65.7 | Low | 58.1 | Low | 8 Ų | 8 | 40.4 Ų | 40.4 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 174.1 | 80.7 | 0 | 0 | 0 | 0 | 111.8 | F216 G229 P230 E231 F236 Y237 | F216-S233 VanDerWaalsContact CE1-CB 3.47Å; G229-S233 PolarHBondContact O-N 3.44Å; P230-S233 PolarHBondContact O-N 3.33Å; P230-S233 PolarHBondContact O-OG 3.49Å; E231-S233 VanDerWaalsContact C-N 3.31Å; E231-S233 PolarHBondContact O-N 3.29Å; S233-F236 PolarHBondContact O-N 3.45Å; S233-Y237 WeakPolarHBondContact O-CD2 3.05Å; S233-Y237 WeakPolarHBondContact O-CE2 2.78Å; S233-Y237 PolarHBondContact O-N 3.37Å |
| 234 | S | 60.9 | Low | 58.1 | Low | 37 Ų | 37 | 37.2 Ų | 37.2 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.4 | -42.3 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | P230 E231 N232 Y237 Q238 | P230-S234 PolarHBondContact O-N 3.26Å; P230-S234 VanDerWaalsContact O-N 3.14Å; P230-S234 PolarHBondContact O-OG 3.24Å; E231-S234 PolarHBondContact O-N 3.37Å; N232-S234 VanDerWaalsContact C-N 3.34Å; S234-Y237 PolarHBondContact O-N 2.98Å; S234-Q238 PolarHBondContact O-N 3.29Å |
| 235 | M | 64.6 | Low | 57.3 | Low | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.4 | -172.6 | 164.7 | -165 | 0 | 0 | 112.7 | E231 N232 Y237 Q238 L239 Y253 F254 F311 I315 | E231-M235 PolarHBondContact O-N 3.1Å; N232-M235 PolarHBondContact O-N 3.14Å; M235-Y237 VanDerWaalsContact C-N 3.35Å; M235-Y237 PolarHBondContact O-N 3.35Å; M235-Q238 PolarHBondContact O-N 3.37Å; M235-L239 HydrophobicContact CG-CD1 4.15Å; M235-L239 HydrophobicContact CG-CG 4.4Å; M235-L239 WeakPolarHBondContact O-CG 3.34Å; M235-L239 PolarHBondContact O-N 3.31Å; M235-Y253 HydrophobicContact CE-CD1 4.37Å; M235-Y253 HydrophobicContact CE-CG 4.17Å; M235-Y253 WeakPolarHBondContact CE-O 3.43Å; M235-F254 HydrophobicContact CB-CE1 4.36Å; M235-F254 HydrophobicContact CG-CE1 4.46Å; M235-F311 HydrophobicContact CB-CE1 4.03Å; M235-F311 HydrophobicContact CE-CD1 4.11Å; M235-F311 HydrophobicContact CE-CE1 4.41Å; M235-F311 HydrophobicContact CG-CD1 4.3Å; M235-F311 HydrophobicContact CG-CE1 3.78Å; M235-F311 HydrophobicContact SD-CD1 4.17Å; M235-F311 HydrophobicContact SD-CE1 4.24Å; M235-I315 HydrophobicContact CB-CD1 4.39Å |
| 236 | F | 63.7 | Low | 56.9 | Low | 3 Ų | 3 | 38.3 Ų | 38.3 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.5 | -47.2 | 176.2 | 173.6 | -93.6 | 0 | 0 | 0 | 111.9 | L215 F216 I219 I220 N232 S233 L239 L240 V246 F254 | L215-F236 HydrophobicContact CB-CE1 4.44Å; L215-F236 HydrophobicContact CD2-CE1 4.12Å; L215-F236 HydrophobicContact CD2-CZ 4.47Å; L215-F236 HydrophobicContact CG-CE1 3.93Å; L215-F236 HydrophobicContact CG-CZ 4.14Å; F216-F236 HydrophobicContact CB-CD1 3.74Å; F216-F236 HydrophobicContact CB-CE1 4.21Å; F216-F236 HydrophobicContact CB-CG 4.17Å; F216-F236 HydrophobicContact CD2-CB 3.48Å; F216-F236 VanDerWaalsContact CD2-CB 3.48Å; F216-F236 HydrophobicContact CD2-CD1 4.12Å; F216-F236 HydrophobicContact CD2-CD2 4.17Å; F216-F236 AromaticContact CD2-CG 3.66Å; F216-F236 HydrophobicContact CD2-CG 3.66Å; F216-F236 HydrophobicContact CE2-CB 4.09Å; F216-F236 HydrophobicContact CG-CB 4.38Å; F216-F236 HydrophobicContact CG-CD1 4.43Å; F216-F236 HydrophobicContact CG-CG 4.4Å; I219-F236 HydrophobicContact CB-CE2 4.1Å; I219-F236 HydrophobicContact CB-CZ 4.22Å; I219-F236 HydrophobicContact CD1-CE2 4.22Å; I219-F236 HydrophobicContact CD1-CZ 3.65Å; I219-F236 HydrophobicContact CG2-CE2 3.87Å; I219-F236 HydrophobicContact CG2-CZ 4.37Å; I220-F236 HydrophobicContact CG1-CD2 3.88Å; I220-F236 HydrophobicContact CG1-CE2 4.23Å; N232-F236 VanDerWaalsContact O-CB 3.3Å; N232-F236 WeakPolarHBondContact O-CB 3.34Å; N232-F236 PolarHBondContact O-N 2.88Å; S233-F236 PolarHBondContact O-N 3.45Å; F236-L239 PolarHBondContact O-N 2.86Å; F236-L240 HydrophobicContact CE1-CD2 4.32Å; F236-L240 WeakPolarHBondContact O-CB 3.38Å; F236-L240 PolarHBondContact O-N 2.99Å; F236-V246 HydrophobicContact CD2-CG1 4.32Å; F236-V246 HydrophobicContact CD2-CG2 4.17Å; F236-V246 HydrophobicContact CE2-CB 4.19Å; F236-V246 HydrophobicContact CE2-CG1 4.26Å; F236-V246 HydrophobicContact CE2-CG2 4.11Å; F236-F254 HydrophobicContact CB-CE1 3.98Å; F236-F254 HydrophobicContact CB-CZ 4.26Å; F236-F254 HydrophobicContact CD2-CZ 4.38Å |
| 237 | Y | 59.9 | Low | 56.4 | Low | 37 Ų | 37 | 36.2 Ų | 36.2 | 15% | 0.145 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.5 | -33.1 | 178.8 | -65.9 | -56.6 | 0 | 0 | 0 | 113.1 | L211 P212 R213 L215 F216 S233 S234 M235 L240 G241 | L211-Y237 HydrophobicContact CB-CD1 3.42Å; L211-Y237 VanDerWaalsContact CB-CD1 3.42Å; L211-Y237 HydrophobicContact CB-CE1 3.36Å; L211-Y237 HydrophobicContact CB-CG 4.33Å; L211-Y237 HydrophobicContact CD1-CD1 3.68Å; L211-Y237 HydrophobicContact CD1-CE1 4.15Å; L211-Y237 HydrophobicContact CG-CD1 4.2Å; L211-Y237 HydrophobicContact CG-CE1 4.4Å; P212-Y237 PolarHBondContact O-OH 3.22Å; R213-Y237 WeakPolarHBondContact CA-OH 3.45Å; R213-Y237 PolarHBondContact O-OH 3.24Å; R213-Y237 VanDerWaalsContact O-OH 3.09Å; L215-Y237 HydrophobicContact CB-CE1 4.17Å; L215-Y237 HydrophobicContact CD2-CE1 4.35Å; F216-Y237 HydrophobicContact CB-CE2 4.02Å; F216-Y237 VanDerWaalsContact CB-OH 3.27Å; F216-Y237 WeakPolarHBondContact CB-OH 3.35Å; F216-Y237 PolarHBondContact N-OH 2.99Å; S233-Y237 WeakPolarHBondContact O-CD2 3.05Å; S233-Y237 WeakPolarHBondContact O-CE2 2.78Å; S233-Y237 PolarHBondContact O-N 3.37Å; S234-Y237 PolarHBondContact O-N 2.98Å; M235-Y237 VanDerWaalsContact C-N 3.35Å; M235-Y237 PolarHBondContact O-N 3.35Å; Y237-L240 PolarHBondContact O-N 2.96Å; Y237-G241 PolarHBondContact O-N 3.23Å |
| 238 | Q | 55.8 | Low | 55.3 | Low | 104 Ų | 104 | 44.6 Ų | 44.6 | 49% | 0.486 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 174.5 | -169.1 | 71.7 | 13.3 | 0 | 0 | 111.4 | S234 M235 L240 G241 M242 F311 | S234-Q238 PolarHBondContact O-N 3.29Å; M235-Q238 PolarHBondContact O-N 3.37Å; Q238-L240 VanDerWaalsContact C-N 3.29Å; Q238-L240 PolarHBondContact O-N 3.43Å; Q238-G241 PolarHBondContact O-N 2.94Å; Q238-M242 HydrophobicContact CG-SD 4.39Å; Q238-M242 VanDerWaalsContact O-CG 3.31Å; Q238-M242 WeakPolarHBondContact O-CG 3.45Å; Q238-M242 PolarHBondContact O-N 3.12Å; Q238-F311 HydrophobicContact CB-CZ 4Å; Q238-F311 HydrophobicContact CG-CE2 4.16Å; Q238-F311 HydrophobicContact CG-CZ 3.78Å |
| 239 | L | 55.3 | Low | 54.5 | Low | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60 | -43 | 177.1 | -70.5 | 172.6 | 0 | 0 | 0 | 111 | M235 F236 M242 K244 V246 Y253 F254 F303 | M235-L239 HydrophobicContact CG-CD1 4.15Å; M235-L239 HydrophobicContact CG-CG 4.4Å; M235-L239 WeakPolarHBondContact O-CG 3.34Å; M235-L239 PolarHBondContact O-N 3.31Å; F236-L239 PolarHBondContact O-N 2.86Å; L239-M242 PolarHBondContact O-N 3.19Å; L239-K244 HydrophobicContact CB-CB 4.41Å; L239-K244 VanDerWaalsContact O-CB 3.26Å; L239-K244 WeakPolarHBondContact O-CB 3.32Å; L239-K244 PolarHBondContact O-N 3.23Å; L239-V246 HydrophobicContact CB-CG2 4.24Å; L239-Y253 HydrophobicContact CD1-CD2 4.13Å; L239-F254 HydrophobicContact CD1-CZ 4.17Å; L239-F303 HydrophobicContact CD2-CE2 3.89Å |
| 240 | L | 53.4 | Low | 54.1 | Low | 53 Ų | 53 | 51.1 Ų | 51.1 | 28% | 0.277 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 176.6 | -173.1 | 60.7 | 0 | 0 | 0 | 112.2 | L211 L215 F236 Y237 Q238 M242 G243 | L211-L240 HydrophobicContact CD1-CD2 3.33Å; L211-L240 HydrophobicContact CD1-CG 4.2Å; L215-L240 HydrophobicContact CD2-CD2 3.81Å; F236-L240 HydrophobicContact CE1-CD2 4.32Å; F236-L240 WeakPolarHBondContact O-CB 3.38Å; F236-L240 PolarHBondContact O-N 2.99Å; Y237-L240 PolarHBondContact O-N 2.96Å; Q238-L240 VanDerWaalsContact C-N 3.29Å; Q238-L240 PolarHBondContact O-N 3.43Å; L240-M242 PolarHBondContact O-N 3.38Å; L240-G243 WeakPolarHBondContact O-CA 3.25Å; L240-G243 PolarHBondContact O-N 2.87Å |
| 241 | G | 45.8 | Very low | 54 | Low | 38 Ų | 38 | 51.3 Ų | 51.3 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.1 | -24.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y237 Q238 G243 | Y237-G241 PolarHBondContact O-N 3.23Å; Q238-G241 PolarHBondContact O-N 2.94Å; G241-G243 PolarHBondContact O-N 3.2Å |
| 242 | M | 47.8 | Very low | 54 | Low | 89 Ų | 89 | 58.5 Ų | 58.5 | 44% | 0.438 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 7.7 | 170.8 | -64.5 | 175.5 | 97.4 | 0 | 0 | 113 | Q238 L239 L240 K244 F303 | Q238-M242 HydrophobicContact CG-SD 4.39Å; Q238-M242 VanDerWaalsContact O-CG 3.31Å; Q238-M242 WeakPolarHBondContact O-CG 3.45Å; Q238-M242 PolarHBondContact O-N 3.12Å; L239-M242 PolarHBondContact O-N 3.19Å; L240-M242 PolarHBondContact O-N 3.38Å; M242-K244 HydrophobicContact CB-CG 4.2Å; M242-K244 PolarHBondContact O-N 2.66Å; M242-F303 HydrophobicContact SD-CZ 4.49Å |
| 243 | G | 43.4 | Very low | 53.7 | Low | 38 Ų | 38 | 59.1 Ų | 59.1 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 18.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L240 G241 F298 | L240-G243 WeakPolarHBondContact O-CA 3.25Å; L240-G243 PolarHBondContact O-N 2.87Å; G241-G243 PolarHBondContact O-N 3.2Å; G243-F298 WeakPolarHBondContact O-CE1 3.42Å; G243-F298 WeakPolarHBondContact O-CZ 3.45Å |
| 244 | K | 51.2 | Low | 53.7 | Low | 47 Ų | 47 | 59.3 Ų | 59.3 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | trans | -80.8 | 125.7 | 177.4 | -57.4 | -59.9 | -178.9 | -171.4 | 0 | 109.3 | L239 M242 V246 Q299 | L239-K244 HydrophobicContact CB-CB 4.41Å; L239-K244 VanDerWaalsContact O-CB 3.26Å; L239-K244 WeakPolarHBondContact O-CB 3.32Å; L239-K244 PolarHBondContact O-N 3.23Å; M242-K244 HydrophobicContact CB-CG 4.2Å; M242-K244 PolarHBondContact O-N 2.66Å; K244-V246 PolarHBondContact O-N 2.78Å; K244-Q299 PolarHBondContact NZ-O 2.77Å | ||
| 245 | V | 46.2 | Very low | 53.9 | Low | 103 Ų | 103 | 62.5 Ų | 62.5 | 62% | 0.624 | 32% | 0.32 | S | S | * | . | trans | -74.4 | 107.7 | 170.1 | -178 | 0 | 0 | 0 | 0 | 106.6 | G247 | V245-G247 PolarHBondContact O-N 3.04Š| ||
| 246 | V | 51.8 | Low | 54 | Low | 32 Ų | 32 | 67.3 Ų | 67.3 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | trans | -71 | 82.2 | 167.9 | -171.3 | 0 | 0 | 0 | 0 | 106.3 | I220 F236 L239 K244 F254 | I220-V246 HydrophobicContact CD1-CG1 4.27Å; F236-V246 HydrophobicContact CD2-CG1 4.32Å; F236-V246 HydrophobicContact CD2-CG2 4.17Å; F236-V246 HydrophobicContact CE2-CB 4.19Å; F236-V246 HydrophobicContact CE2-CG1 4.26Å; F236-V246 HydrophobicContact CE2-CG2 4.11Å; L239-V246 HydrophobicContact CB-CG2 4.24Å; K244-V246 PolarHBondContact O-N 2.78Å; V246-F254 HydrophobicContact CG1-CE2 4.4Å; V246-F254 HydrophobicContact CG1-CZ 4.47Å | ||
| 247 | G | 49.3 | Very low | 53.8 | Low | 40 Ų | 40 | 69.8 Ų | 69.8 | 41% | 0.412 | 35% | 0.354 | S | S | . | . | trans | -64.4 | 168.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V245 L249 | V245-G247 PolarHBondContact O-N 3.04Å; G247-L249 PolarHBondContact O-N 3.02Å | ||
| 248 | Y | 39.3 | Very low | 53.2 | Low | 178 Ų | 178 | 75.7 Ų | 75.7 | 70% | 0.698 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | 111.3 | 170 | -102.5 | -90.5 | 0 | 0 | 0 | 108.4 | E223 | E223-Y248 PolarHBondContact OE2-OH 3.22Š|
| 249 | L | 46.9 | Very low | 52.6 | Low | 108 Ų | 108 | 82.1 Ų | 82.1 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 51.1 | 159.4 | -48.4 | 156.3 | 0 | 0 | 0 | 118.1 | I224 G247 T251 | I224-L249 HydrophobicContact CD1-CD2 3.62Å; G247-L249 PolarHBondContact O-N 3.02Å; L249-T251 HydrophobicContact CB-CG2 4.22Å; L249-T251 HydrophobicContact CD2-CG2 3.53Å; L249-T251 HydrophobicContact CG-CG2 4.49Å; L249-T251 PolarHBondContact O-N 3.41Å |
| 250 | E | 53 | Low | 51.7 | Low | 61 Ų | 61 | 85 Ų | 85 | 29% | 0.285 | 42% | 0.418 | S | S | . | . | trans | -84.6 | 52.3 | 142.1 | -68.9 | -171.7 | 158 | 0 | 0 | 109.3 | R252 Y253 K300 | E250-R252 PolarHBondContact O-N 3.42Å; E250-Y253 HydrophobicContact CB-CD2 3.67Å; E250-Y253 HydrophobicContact CB-CE2 3.57Å; E250-Y253 HydrophobicContact CG-CE2 4.26Å; E250-Y253 WeakPolarHBondContact O-CD2 3.07Å; E250-Y253 PolarHBondContact O-N 3.04Å; E250-Y253 WeakPolarHBondContact OE2-CE2 3.02Å; E250-K300 WeakPolarHBondContact OE1-CE 3.29Å; E250-K300 IonicContact OE1-NZ 2.95Å; E250-K300 PolarHBondContact OE1-NZ 3.38Å | ||
| 251 | T | 53.3 | Low | 50.7 | Low | 51 Ų | 51 | 91 Ų | 91 | 31% | 0.313 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -57.2 | -21 | 179.7 | 49.1 | 0 | 0 | 0 | 0 | 113 | I224 L227 L249 Y253 F254 | I224-T251 HydrophobicContact CD1-CG2 3.83Å; L227-T251 HydrophobicContact CD1-CG2 3.79Å; L249-T251 HydrophobicContact CB-CG2 4.22Å; L249-T251 HydrophobicContact CD2-CG2 3.53Å; L249-T251 HydrophobicContact CG-CG2 4.49Å; L249-T251 PolarHBondContact O-N 3.41Å; T251-Y253 PolarHBondContact O-N 3.41Å; T251-Y253 VanDerWaalsContact O-N 3.12Å; T251-F254 PolarHBondContact O-N 3.07Å; T251-F254 VanDerWaalsContact O-O 3.06Å |
| 252 | R | 59.2 | Low | 50.3 | Low | 185 Ų | 185 | 97.2 Ų | 97.2 | 70% | 0.698 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -56.8 | -24.8 | 176.5 | -65.7 | -169.9 | -69.8 | 178.1 | 0.9 | 113.8 | E250 | E250-R252 PolarHBondContact O-N 3.42Š|
| 253 | Y | 60.5 | Low | 49.4 | Very low | 13 Ų | 13 | 96.5 Ų | 96.5 | 5% | 0.051 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -76.2 | -28.7 | 175.2 | -64 | -39.1 | 0 | 0 | 0 | 112.6 | M235 L239 E250 T251 F303 I308 H312 | M235-Y253 HydrophobicContact CE-CD1 4.37Å; M235-Y253 HydrophobicContact CE-CG 4.17Å; M235-Y253 WeakPolarHBondContact CE-O 3.43Å; L239-Y253 HydrophobicContact CD1-CD2 4.13Å; E250-Y253 HydrophobicContact CB-CD2 3.67Å; E250-Y253 HydrophobicContact CB-CE2 3.57Å; E250-Y253 HydrophobicContact CG-CE2 4.26Å; E250-Y253 WeakPolarHBondContact O-CD2 3.07Å; E250-Y253 PolarHBondContact O-N 3.04Å; E250-Y253 WeakPolarHBondContact OE2-CE2 3.02Å; T251-Y253 PolarHBondContact O-N 3.41Å; T251-Y253 VanDerWaalsContact O-N 3.12Å; Y253-F303 HydrophobicContact CD1-CD2 4.36Å; Y253-F303 HydrophobicContact CE1-CB 4.03Å; Y253-F303 AromaticContact CE1-CD2 3.81Å; Y253-F303 HydrophobicContact CE1-CD2 3.81Å; Y253-F303 HydrophobicContact CE1-CG 4.4Å; Y253-I308 HydrophobicContact CD1-CD1 3.6Å; Y253-I308 HydrophobicContact CD1-CG1 3.94Å; Y253-I308 HydrophobicContact CE1-CD1 3.88Å; Y253-I308 HydrophobicContact CE1-CG1 4.37Å; Y253-H312 PolarHBondContact O-CE1 2.89Å; Y253-H312 PolarHBondContact O-NE2 2.95Å |
| 254 | F | 66.9 | Low | 48.8 | Very low | 13 Ų | 13 | 99.4 Ų | 99.4 | 6% | 0.057 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -95.3 | 139.6 | -172.4 | -61 | -78.1 | 0 | 0 | 0 | 110.7 | I220 L227 N232 M235 F236 L239 V246 T251 | I220-F254 HydrophobicContact CD1-CE2 4.33Å; I220-F254 HydrophobicContact CD1-CZ 4.5Å; I220-F254 HydrophobicContact CG1-CZ 4.47Å; L227-F254 HydrophobicContact CB-CB 4.43Å; L227-F254 HydrophobicContact CD1-CB 4Å; L227-F254 HydrophobicContact CD2-CB 3.87Å; L227-F254 HydrophobicContact CG-CB 4.32Å; N232-F254 HydrophobicContact CB-CD1 3.68Å; N232-F254 HydrophobicContact CB-CE1 4.42Å; N232-F254 WeakPolarHBondContact O-CE1 3.49Å; N232-F254 WeakPolarHBondContact OD1-CA 3.37Å; M235-F254 HydrophobicContact CB-CE1 4.36Å; M235-F254 HydrophobicContact CG-CE1 4.46Å; F236-F254 HydrophobicContact CB-CE1 3.98Å; F236-F254 HydrophobicContact CB-CZ 4.26Å; F236-F254 HydrophobicContact CD2-CZ 4.38Å; L239-F254 HydrophobicContact CD1-CZ 4.17Å; V246-F254 HydrophobicContact CG1-CE2 4.4Å; V246-F254 HydrophobicContact CG1-CZ 4.47Å; T251-F254 PolarHBondContact O-N 3.07Å; T251-F254 VanDerWaalsContact O-O 3.06Å |
| 255 | R | 64.9 | Low | 47.9 | Very low | 104 Ų | 104 | 103 Ų | 103 | 39% | 0.392 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 140.9 | 176.9 | -81.3 | -179.8 | -174.9 | -170.2 | 1.2 | 111.1 | L227 N232 H257 H312 | L227-R255 WeakPolarHBondContact CD2-O 3.32Å; N232-R255 PolarHBondContact ND2-O 3.09Å; N232-R255 PolarHBondContact OD1-N 3.09Å; R255-H257 PolarHBondContact O-CD2 3.02Å; R255-H257 VanDerWaalsContact O-CD2 3.29Å; R255-H257 PolarHBondContact O-N 2.76Å; R255-H312 PolarHBondContact NE-CD2 3.45Å |
| 256 | E | 66 | Low | 47.2 | Very low | 107 Ų | 107 | 103.7 Ų | 103.7 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 124 | 172.8 | -54.8 | -175.7 | 145.5 | 0 | 0 | 110 | F226 L227 Y258 | F226-E256 HydrophobicContact CD2-CB 4.23Å; F226-E256 HydrophobicContact CD2-CG 3.88Å; F226-E256 HydrophobicContact CE2-CG 4.11Å; L227-E256 HydrophobicContact CD2-CG 4.01Å; E256-Y258 HydrophobicContact CB-CD2 3.84Å; E256-Y258 HydrophobicContact CB-CE2 3.26Å; E256-Y258 HydrophobicContact CG-CE2 4.08Å; E256-Y258 PolarHBondContact OE1-OH 3.47Å; E256-Y258 WeakPolarHBondContact OE2-CE2 3.46Å; E256-Y258 PolarHBondContact OE2-OH 3.38Å |
| 257 | H | 59.4 | Low | 46 | Very low | 55 Ų | 55 | 107.6 Ų | 107.6 | 26% | 0.255 | 54% | 0.54 | S | S | . | . | trans | -102.7 | 91.9 | 175.5 | -73.4 | -96 | 0 | 0 | 0 | 109.2 | F226 E231 R255 | F226-H257 PolarHBondContact O-N 3.15Å; E231-H257 IonicContact OE2-CE1 3.09Å; E231-H257 PolarHBondContact OE2-CE1 3.45Å; E231-H257 IonicContact OE2-NE2 3.47Å; E231-H257 PolarHBondContact OE2-NE2 2.85Å; R255-H257 PolarHBondContact O-CD2 3.02Å; R255-H257 VanDerWaalsContact O-CD2 3.29Å; R255-H257 PolarHBondContact O-N 2.76Å | ||
| 258 | Y | 47.9 | Very low | 44.9 | Very low | 161 Ų | 161 | 112.9 Ų | 112.9 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | trans | -92.7 | -4.5 | 176.5 | -64.5 | -75 | 0 | 0 | 0 | 114.4 | F226 E256 | F226-Y258 HydrophobicContact CB-CE1 4.38Å; E256-Y258 HydrophobicContact CB-CD2 3.84Å; E256-Y258 HydrophobicContact CB-CE2 3.26Å; E256-Y258 HydrophobicContact CG-CE2 4.08Å; E256-Y258 PolarHBondContact OE1-OH 3.47Å; E256-Y258 WeakPolarHBondContact OE2-CE2 3.46Å; E256-Y258 PolarHBondContact OE2-OH 3.38Å | ||
| 259 | R | 42.6 | Very low | 44.5 | Very low | 239 Ų | 239 | 114.8 Ų | 114.8 | 90% | 0.902 | 56% | 0.559 | S | S | * | * | trans | -134 | 19.1 | -167.2 | -75.4 | -166.7 | -176.4 | -179.5 | 2.2 | 115.1 | E261 | R259-E261 PolarHBondContact O-N 2.63Š| ||
| 260 | S | 36.8 | Very low | 43.5 | Very low | 70 Ų | 70 | 115.5 Ų | 115.5 | 49% | 0.49 | 56% | 0.559 | S | S | . | * | trans | -73.2 | 97.7 | 149.3 | 57.5 | 0 | 0 | 0 | 0 | 104.9 | H262 | S260-H262 VanDerWaalsContact C-N 3.28Å; S260-H262 PolarHBondContact O-N 3.16Å; S260-H262 PolarHBondContact O-ND1 3.32Å | ||
| 261 | E | 32.8 | Very low | 42.3 | Very low | 179 Ų | 179 | 118.3 Ų | 118.3 | 84% | 0.836 | 57% | 0.572 | S | S | * | * | trans | -38.9 | 116.3 | 140.9 | -78.9 | -177.5 | 169.4 | 0 | 0 | 103.6 | R259 A263 | R259-E261 PolarHBondContact O-N 2.63Å; E261-A263 PolarHBondContact O-N 2.78Å | ||
| 262 | H | 36.2 | Very low | 41.1 | Very low | 169 Ų | 169 | 123.6 Ų | 123.6 | 78% | 0.782 | 60% | 0.599 | S | S | * | * | trans | -64 | 80.1 | 167.8 | -72.6 | 57 | 0 | 0 | 0 | 103.1 | S260 A264 | S260-H262 VanDerWaalsContact C-N 3.28Å; S260-H262 PolarHBondContact O-N 3.16Å; S260-H262 PolarHBondContact O-ND1 3.32Å; H262-A264 VanDerWaalsContact C-N 3.25Å; H262-A264 WeakPolarHBondContact O-CA 3.4Å; H262-A264 PolarHBondContact O-N 3.39Å | ||
| 263 | A | 30 | Very low | 40.1 | Very low | 73 Ų | 73 | 123.6 Ų | 123.6 | 60% | 0.603 | 60% | 0.6 | S | S | * | * | trans | -49 | 111.5 | 159 | 0 | 0 | 0 | 0 | 0 | 100.8 | E261 T265 E266 | E261-A263 PolarHBondContact O-N 2.78Å; A263-T265 CarbonylContact O-C 3.56Å; A263-T265 PolarHBondContact O-N 3.24Å; A263-E266 PolarHBondContact O-N 3.11Å | ||
| 264 | A | 31.4 | Very low | 38.7 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 83% | 0.826 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -69.6 | 35.1 | -159.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H262 | H262-A264 VanDerWaalsContact C-N 3.25Å; H262-A264 WeakPolarHBondContact O-CA 3.4Å; H262-A264 PolarHBondContact O-N 3.39Å |
| 265 | T | 31.5 | Very low | 36.9 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 76% | 0.755 | 65% | 0.647 | S | S | * | * | trans | -158.6 | 67.3 | 177.4 | 28.9 | 0 | 0 | 0 | 0 | 109.3 | A263 | A263-T265 CarbonylContact O-C 3.56Å; A263-T265 PolarHBondContact O-N 3.24Å | ||
| 266 | E | 31.2 | Very low | 35.3 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 55% | 0.547 | 67% | 0.673 | S | S | . | * | S | Bend | -67.9 | 134.5 | 125.9 | -169 | 166.2 | -153.1 | 0 | 0 | 105.4 | R213 A263 K268 | R213-E266 IonicContact CZ-OE1 3.85Å; R213-E266 IonicContact NH1-OE1 3.09Å; R213-E266 IonicContact NH2-OE1 3.34Å; R213-E266 PolarHBondContact NH2-OE1 3.3Å; A263-E266 PolarHBondContact O-N 3.11Å; E266-K268 PolarHBondContact O-N 3.49Å; E266-K268 VanDerWaalsContact O-N 3.1Å | |
| 267 | P | 27.8 | Very low | 33.7 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 74% | 0.74 | 68% | 0.681 | S | S | * | * | trans | -56.6 | 124.3 | -170.8 | -15 | 23 | 0 | 0 | 0 | 110.2 | Y269 | P267-Y269 PolarHBondContact O-N 3.24Å; P267-Y269 VanDerWaalsContact O-N 3.13Å | ||
| 268 | K | 24.3 | Very low | 32.6 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | trans | -43.5 | 122 | 161 | -89.1 | -166.4 | 168 | -147.3 | 0 | 108.6 | E266 E270 E271 | E266-K268 PolarHBondContact O-N 3.49Å; E266-K268 VanDerWaalsContact O-N 3.1Å; K268-E270 HydrophobicContact CD-CB 4.45Å; K268-E270 HydrophobicContact CG-CB 4.46Å; K268-E270 IonicContact NZ-OE2 2.7Å; K268-E271 IonicContact NZ-OE1 2.78Å; K268-E271 PolarHBondContact NZ-OE1 3.17Å | ||
| 269 | Y | 30.8 | Very low | 31.8 | Very low | 218 Ų | 218 | 143.5 Ų | 143.5 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | trans | -113.7 | 100.6 | 137.1 | -147.4 | -81.2 | 0 | 0 | 0 | 106.4 | P267 | P267-Y269 PolarHBondContact O-N 3.24Å; P267-Y269 VanDerWaalsContact O-N 3.13Å | ||
| 270 | E | 27 | Very low | 31.6 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 57% | 0.57 | 71% | 0.714 | S | S | * | * | trans | -157.1 | 141.8 | -177.2 | -112.1 | -171.6 | -174.1 | 0 | 0 | 106.5 | K268 | K268-E270 HydrophobicContact CD-CB 4.45Å; K268-E270 HydrophobicContact CG-CB 4.46Å; K268-E270 IonicContact NZ-OE2 2.7Å | ||
| 271 | E | 28.6 | Very low | 31.3 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 56% | 0.561 | 72% | 0.724 | S | S | * | * | S | Bend | cis | -142.3 | 140.9 | 17.8 | -72.4 | 117 | -138.7 | 0 | 0 | 105.8 | K268 | K268-E271 IonicContact NZ-OE1 2.78Å; K268-E271 PolarHBondContact NZ-OE1 3.17Å |
| 272 | D | 27 | Very low | 31.4 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 87% | 0.866 | 72% | 0.719 | S | S | * | * | -145.5 | 109.9 | 72.5 | -68.1 | -34.9 | 0 | 0 | 0 | 110.2 | |||||
| 273 | Y | 37.5 | Very low | 31.1 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 73% | 0.729 | 71% | 0.714 | S | S | * | * | trans | -102.7 | 169.5 | 172.2 | -88.9 | -91.5 | 0 | 0 | 0 | 110.3 | ||||
| 274 | A | 32.2 | Very low | 31.1 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 61% | 0.612 | 72% | 0.717 | S | S | * | * | trans | 71.8 | 108 | 145.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 275 | N | 29.5 | Very low | 30.9 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 47% | 0.471 | 72% | 0.715 | S | S | . | * | -145.3 | 79.9 | 123.4 | -86.3 | -30.3 | 0 | 0 | 0 | 107.8 | N162 T277 | N162-N275 PolarHBondContact ND2-O 2.7Å; N275-T277 VanDerWaalsContact C-N 3.3Å | |||
| 276 | F | 31.1 | Very low | 31 | Very low | 214 Ų | 214 | 140.7 Ų | 140.7 | 94% | 0.939 | 72% | 0.72 | S | S | * | * | trans | -87.5 | 84.1 | 149 | -88.6 | -83.7 | 0 | 0 | 0 | 105.7 | E278 | F276-E278 PolarHBondContact O-N 3.44Š| ||
| 277 | T | 31.2 | Very low | 31 | Very low | 110 Ų | 110 | 143 Ų | 143 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | trans | -78.5 | 114.7 | 166.9 | 27.6 | 0 | 0 | 0 | 0 | 108.6 | N275 K279 | N275-T277 VanDerWaalsContact C-N 3.3Å; T277-K279 PolarHBondContact O-N 3.25Å | ||
| 278 | E | 38.1 | Very low | 31.1 | Very low | 185 Ų | 185 | 146.3 Ų | 146.3 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 40.4 | 72.7 | 145.4 | -61.9 | -175.1 | 172.5 | 0 | 0 | 116.6 | F276 | F276-E278 PolarHBondContact O-N 3.44Š|
| 279 | K | 30 | Very low | 31.4 | Very low | 200 Ų | 200 | 143.4 Ų | 143.4 | 87% | 0.87 | 74% | 0.742 | S | S | * | * | trans | -158.4 | 108.9 | 130.3 | -107.2 | 163.2 | -170.3 | -178.9 | 0 | 108.2 | T277 | T277-K279 PolarHBondContact O-N 3.25Š| ||
| 280 | I | 38.1 | Very low | 31.3 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | -40.1 | 125.3 | 163.6 | -58 | 161.1 | 0 | 0 | 0 | 107.3 | S282 | I280-S282 PolarHBondContact O-N 2.66Š| ||
| 281 | P | 31.2 | Very low | 31.3 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | trans | -71.6 | 88.4 | 163.9 | 27 | -24 | 0 | 0 | 0 | 106.4 | N283 | P281-N283 PolarHBondContact O-N 3.34Å; P281-N283 VanDerWaalsContact O-N 3.13Å | ||
| 282 | S | 33.9 | Very low | 31.3 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -67.1 | 3.4 | 165.6 | 48 | 0 | 0 | 0 | 0 | 112.6 | I280 | I280-S282 PolarHBondContact O-N 2.66Š|
| 283 | N | 31.2 | Very low | 31.6 | Very low | 129 Ų | 129 | 137 Ų | 137 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | trans | -134 | 82.8 | 166.9 | -78.4 | -25.6 | 0 | 0 | 0 | 108.3 | P281 E285 | P281-N283 PolarHBondContact O-N 3.34Å; P281-N283 VanDerWaalsContact O-N 3.13Å; N283-E285 PolarHBondContact O-N 2.72Å | ||
| 284 | A | 28.8 | Very low | 31.4 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | trans | -65.9 | 81.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | N286 | A284-N286 PolarHBondContact O-N 3.37Š| ||
| 285 | E | 28.1 | Very low | 31.4 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | trans | -57.6 | 130.2 | 165.6 | -78.2 | -170.5 | 167.9 | 0 | 0 | 107.3 | N283 L287 | N283-E285 PolarHBondContact O-N 2.72Å; E285-L287 VanDerWaalsContact C-N 3.33Å; E285-L287 PolarHBondContact O-N 3.18Å | ||
| 286 | N | 33.1 | Very low | 31.4 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -40.4 | 96 | 176 | -110.2 | -38.8 | 0 | 0 | 0 | 109.8 | A284 M288 | A284-N286 PolarHBondContact O-N 3.37Å; N286-M288 VanDerWaalsContact C-N 3.27Å; N286-M288 PolarHBondContact O-N 3.27Å | ||
| 287 | L | 31.6 | Very low | 31.6 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | -61.9 | 104 | 159.7 | -86.7 | 160.9 | 0 | 0 | 0 | 103.6 | E285 S289 | E285-L287 VanDerWaalsContact C-N 3.33Å; E285-L287 PolarHBondContact O-N 3.18Å; L287-S289 PolarHBondContact O-N 3.08Å | ||
| 288 | M | 29.5 | Very low | 31.8 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | trans | -42.4 | 114 | 173.6 | -78.6 | -159 | 130 | 0 | 0 | 107.3 | N286 | N286-M288 VanDerWaalsContact C-N 3.27Å; N286-M288 PolarHBondContact O-N 3.27Å | ||
| 289 | S | 30.3 | Very low | 31.7 | Very low | 90 Ų | 90 | 139.5 Ų | 139.5 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | trans | -23.2 | 133.7 | 175.4 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | L287 G291 | L287-S289 PolarHBondContact O-N 3.08Å; S289-G291 PolarHBondContact O-N 3.2Å | ||
| 290 | Y | 28.7 | Very low | 32.1 | Very low | 243 Ų | 243 | 136.3 Ų | 136.3 | 95% | 0.953 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -55.9 | 72 | 157.9 | -94.3 | -97.4 | 0 | 0 | 0 | 110.3 | ||
| 291 | G | 28.4 | Very low | 32.3 | Very low | 33 Ų | 33 | 133 Ų | 133 | 34% | 0.34 | 71% | 0.713 | S | S | . | * | trans | -146.1 | 28.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S289 A293 | S289-G291 PolarHBondContact O-N 3.2Å; G291-A293 PolarHBondContact O-N 3.25Å | ||
| 292 | A | 28.9 | Very low | 33.1 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 89% | 0.893 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -81.7 | 93.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||
| 293 | A | 32.5 | Very low | 34 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 85% | 0.851 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 101.7 | 28.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | G291 | G291-A293 PolarHBondContact O-N 3.25Š|
| 294 | T | 32.8 | Very low | 35.4 | Very low | 76 Ų | 76 | 126.9 Ų | 126.9 | 47% | 0.466 | 67% | 0.667 | S | S | . | * | trans | -101.4 | 124.2 | 158.8 | 33.6 | 0 | 0 | 0 | 0 | 110.1 | F298 | T294-F298 HydrophobicContact CG2-CE2 3.87Å; T294-F298 HydrophobicContact CG2-CZ 4.48Å | ||
| 295 | E | 32.4 | Very low | 36.7 | Very low | 177 Ų | 177 | 129 Ų | 129 | 83% | 0.827 | 67% | 0.667 | S | S | * | * | trans | -55 | 145.3 | -179.1 | -62.9 | -178.1 | 172.9 | 0 | 0 | 111.3 | N297 | E295-N297 PolarHBondContact O-N 3.2Š| ||
| 296 | R | 30.5 | Very low | 37.8 | Very low | 251 Ų | 251 | 128.5 Ų | 128.5 | 95% | 0.947 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -60 | 13.9 | -168.4 | -74.5 | -178.5 | 179.4 | 169.8 | -0 | 117.3 | ||
| 297 | N | 34.3 | Very low | 38.7 | Very low | 149 Ų | 149 | 123.9 Ų | 123.9 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | trans | -121.5 | 57.2 | -176 | -66.5 | -32.2 | 0 | 0 | 0 | 111.9 | E295 Q299 | E295-N297 PolarHBondContact O-N 3.2Å; N297-Q299 PolarHBondContact O-N 3.24Å | ||
| 298 | F | 35.7 | Very low | 39.7 | Very low | 115 Ų | 115 | 116.8 Ų | 116.8 | 50% | 0.504 | 60% | 0.601 | S | S | . | * | trans | -69.2 | 103.4 | 172.9 | -115.5 | -85.5 | 0 | 0 | 0 | 110.5 | G243 T294 K300 | G243-F298 WeakPolarHBondContact O-CE1 3.42Å; G243-F298 WeakPolarHBondContact O-CZ 3.45Å; T294-F298 HydrophobicContact CG2-CE2 3.87Å; T294-F298 HydrophobicContact CG2-CZ 4.48Å; F298-K300 PolarHBondContact O-N 3.02Å | ||
| 299 | Q | 36.8 | Very low | 41 | Very low | 143 Ų | 143 | 114.3 Ų | 114.3 | 67% | 0.668 | 59% | 0.587 | S | S | * | * | trans | -80.6 | 112.3 | 170.9 | -159.6 | 169.5 | 16.9 | 0 | 0 | 108.6 | K244 N297 F301 | K244-Q299 PolarHBondContact NZ-O 2.77Å; N297-Q299 PolarHBondContact O-N 3.24Å; Q299-F301 PolarHBondContact O-N 3.44Å | ||
| 300 | K | 36.7 | Very low | 41.9 | Very low | 132 Ų | 132 | 113.1 Ų | 113.1 | 57% | 0.574 | 57% | 0.573 | S | S | * | * | trans | -57.2 | 120 | 165.5 | -168 | 174.5 | -178.1 | 173.3 | 0 | 107.1 | E250 F298 D302 | E250-K300 WeakPolarHBondContact OE1-CE 3.29Å; E250-K300 IonicContact OE1-NZ 2.95Å; E250-K300 PolarHBondContact OE1-NZ 3.38Å; F298-K300 PolarHBondContact O-N 3.02Å; K300-D302 VanDerWaalsContact CE-OD1 3.25Å; K300-D302 WeakPolarHBondContact CE-OD1 3.4Å | ||
| 301 | F | 42.8 | Very low | 43.1 | Very low | 77 Ų | 77 | 104 Ų | 104 | 34% | 0.338 | 54% | 0.538 | S | S | . | . | trans | -99.2 | 110.8 | 174.2 | -112.6 | -99.6 | 0 | 0 | 0 | 105.4 | I69 Q299 | I69-F301 HydrophobicContact CD1-CE1 3.59Å; I69-F301 HydrophobicContact CD1-CE2 3.96Å; I69-F301 HydrophobicContact CD1-CZ 3.18Å; I69-F301 HydrophobicContact CG1-CE1 4.36Å; I69-F301 HydrophobicContact CG1-CZ 4.08Å; Q299-F301 PolarHBondContact O-N 3.44Å | ||
| 302 | D | 49.1 | Very low | 44.2 | Very low | 99 Ų | 99 | 102.5 Ų | 102.5 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | trans | -92.1 | 113.1 | 170.2 | -66.1 | -36.6 | 0 | 0 | 0 | 106.6 | K300 | K300-D302 VanDerWaalsContact CE-OD1 3.25Å; K300-D302 WeakPolarHBondContact CE-OD1 3.4Å | ||
| 303 | F | 51.3 | Low | 45.3 | Very low | 42 Ų | 42 | 102.7 Ų | 102.7 | 18% | 0.184 | 51% | 0.508 | C | S | . | . | trans | -71.7 | 143.3 | 169.9 | -68.3 | -82.7 | 0 | 0 | 0 | 109.4 | I71 L239 M242 Y253 E307 I308 | I71-F303 HydrophobicContact CD1-CE1 4.49Å; L239-F303 HydrophobicContact CD2-CE2 3.89Å; M242-F303 HydrophobicContact SD-CZ 4.49Å; Y253-F303 HydrophobicContact CD1-CD2 4.36Å; Y253-F303 HydrophobicContact CE1-CB 4.03Å; Y253-F303 AromaticContact CE1-CD2 3.81Å; Y253-F303 HydrophobicContact CE1-CD2 3.81Å; Y253-F303 HydrophobicContact CE1-CG 4.4Å; F303-E307 WeakPolarHBondContact CA-OE2 3.2Å; F303-E307 HydrophobicContact CB-CB 4.35Å; F303-E307 HydrophobicContact CD1-CB 4.15Å; F303-I308 HydrophobicContact CB-CD1 4.17Å; F303-I308 HydrophobicContact CB-CG1 3.75Å | ||
| 304 | T | 61.8 | Low | 45.9 | Very low | 70 Ų | 70 | 100.3 Ų | 100.3 | 43% | 0.429 | 48% | 0.481 | S | S | . | . | trans | -74.7 | 159.2 | 168.5 | 71.8 | 0 | 0 | 0 | 0 | 110.4 | E306 E307 I308 | T304-E306 PolarHBondContact O-N 3.46Å; T304-E307 PolarHBondContact N-OE2 2.89Å; T304-E307 PolarHBondContact O-N 3.41Å; T304-E307 VanDerWaalsContact O-N 3.08Å; T304-E307 WeakPolarHBondContact OG1-CG 3.46Å; T304-E307 PolarHBondContact OG1-N 2.9Å; T304-I308 WeakPolarHBondContact O-CG1 3.45Å; T304-I308 PolarHBondContact O-N 3.02Å | ||
| 305 | D | 56.4 | Low | 46.7 | Very low | 126 Ų | 126 | 97.6 Ų | 97.6 | 67% | 0.674 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -57.7 | -36.6 | 176.5 | -62 | -35.9 | 0 | 0 | 0 | 111.6 | I308 E309 | D305-I308 PolarHBondContact O-N 3.42Å; D305-E309 WeakPolarHBondContact O-CG 3.41Å; D305-E309 PolarHBondContact O-N 3.31Å |
| 306 | E | 50.8 | Low | 47.5 | Very low | 155 Ų | 155 | 91 Ų | 91 | 72% | 0.724 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.3 | -40.5 | 175 | -65.7 | 173.3 | 179.6 | 0 | 0 | 112.7 | T304 E309 L310 | T304-E306 PolarHBondContact O-N 3.46Å; E306-E309 PolarHBondContact O-N 2.89Å; E306-L310 WeakPolarHBondContact O-CB 3.43Å; E306-L310 PolarHBondContact O-N 2.99Å |
| 307 | E | 51.2 | Low | 48.2 | Very low | 65 Ų | 65 | 82.6 Ų | 82.6 | 30% | 0.304 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 177.7 | -70.3 | 174.6 | 144.8 | 0 | 0 | 111.4 | I71 F303 T304 F311 | I71-E307 HydrophobicContact CD1-CB 3.89Å; I71-E307 HydrophobicContact CD1-CG 3.84Å; F303-E307 WeakPolarHBondContact CA-OE2 3.2Å; F303-E307 HydrophobicContact CB-CB 4.35Å; F303-E307 HydrophobicContact CD1-CB 4.15Å; T304-E307 PolarHBondContact N-OE2 2.89Å; T304-E307 PolarHBondContact O-N 3.41Å; T304-E307 VanDerWaalsContact O-N 3.08Å; T304-E307 WeakPolarHBondContact OG1-CG 3.46Å; T304-E307 PolarHBondContact OG1-N 2.9Å; E307-F311 VanDerWaalsContact O-CB 3.23Å; E307-F311 WeakPolarHBondContact O-CB 3.44Å; E307-F311 PolarHBondContact O-N 3.5Å |
| 308 | I | 53.9 | Low | 48.8 | Very low | 17 Ų | 17 | 79.2 Ų | 79.2 | 9% | 0.087 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 175.2 | -64.3 | 165.4 | 0 | 0 | 0 | 109.9 | Y253 F303 T304 D305 F311 H312 | Y253-I308 HydrophobicContact CD1-CD1 3.6Å; Y253-I308 HydrophobicContact CD1-CG1 3.94Å; Y253-I308 HydrophobicContact CE1-CD1 3.88Å; Y253-I308 HydrophobicContact CE1-CG1 4.37Å; F303-I308 HydrophobicContact CB-CD1 4.17Å; F303-I308 HydrophobicContact CB-CG1 3.75Å; T304-I308 WeakPolarHBondContact O-CG1 3.45Å; T304-I308 PolarHBondContact O-N 3.02Å; D305-I308 PolarHBondContact O-N 3.42Å; I308-F311 WeakPolarHBondContact O-CB 3.4Å; I308-F311 PolarHBondContact O-N 3.48Å; I308-H312 PolarHBondContact O-CD2 3.5Å; I308-H312 PolarHBondContact O-N 3.14Å; I308-H312 VanDerWaalsContact O-N 3.07Å |
| 309 | E | 55.6 | Low | 49.5 | Very low | 129 Ų | 129 | 75.5 Ų | 75.5 | 60% | 0.603 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.4 | -46.6 | 179.2 | -78.3 | -173.3 | 170.8 | 0 | 0 | 113.1 | D305 E306 F311 H312 L313 | D305-E309 WeakPolarHBondContact O-CG 3.41Å; D305-E309 PolarHBondContact O-N 3.31Å; E306-E309 PolarHBondContact O-N 2.89Å; E309-F311 VanDerWaalsContact C-N 3.27Å; E309-F311 PolarHBondContact O-N 3.1Å; E309-H312 PolarHBondContact O-N 2.85Å; E309-L313 PolarHBondContact O-N 3.35Å |
| 310 | L | 49.6 | Very low | 50.2 | Low | 65 Ų | 65 | 72.1 Ų | 72.1 | 34% | 0.34 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 178.4 | -175.9 | 62.3 | 0 | 0 | 0 | 111.7 | I71 E306 L313 N314 | I71-L310 HydrophobicContact CG2-CD2 3.67Å; I71-L310 HydrophobicContact CG2-CG 4.33Å; E306-L310 WeakPolarHBondContact O-CB 3.43Å; E306-L310 PolarHBondContact O-N 2.99Å; L310-L313 HydrophobicContact CD1-CD2 4.48Å; L310-L313 WeakPolarHBondContact O-CB 3.31Å; L310-L313 PolarHBondContact O-N 3.01Å; L310-N314 PolarHBondContact O-N 3.13Å; L310-N314 VanDerWaalsContact O-N 3.15Å; L310-N314 PolarHBondContact O-ND2 3.18Å |
| 311 | F | 53.3 | Low | 50.6 | Low | 51 Ų | 51 | 69.6 Ų | 69.6 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 178 | -172.2 | -96.4 | 0 | 0 | 0 | 112 | M235 Q238 E307 I308 E309 L313 N314 I315 | M235-F311 HydrophobicContact CB-CE1 4.03Å; M235-F311 HydrophobicContact CE-CD1 4.11Å; M235-F311 HydrophobicContact CE-CE1 4.41Å; M235-F311 HydrophobicContact CG-CD1 4.3Å; M235-F311 HydrophobicContact CG-CE1 3.78Å; M235-F311 HydrophobicContact SD-CD1 4.17Å; M235-F311 HydrophobicContact SD-CE1 4.24Å; Q238-F311 HydrophobicContact CB-CZ 4Å; Q238-F311 HydrophobicContact CG-CE2 4.16Å; Q238-F311 HydrophobicContact CG-CZ 3.78Å; E307-F311 VanDerWaalsContact O-CB 3.23Å; E307-F311 WeakPolarHBondContact O-CB 3.44Å; E307-F311 PolarHBondContact O-N 3.5Å; I308-F311 WeakPolarHBondContact O-CB 3.4Å; I308-F311 PolarHBondContact O-N 3.48Å; E309-F311 VanDerWaalsContact C-N 3.27Å; E309-F311 PolarHBondContact O-N 3.1Å; F311-L313 VanDerWaalsContact C-N 3.31Å; F311-L313 PolarHBondContact O-N 3.15Å; F311-N314 WeakPolarHBondContact O-CB 3.42Å; F311-N314 PolarHBondContact O-N 3.43Å; F311-I315 HydrophobicContact CD1-CD1 3.73Å; F311-I315 HydrophobicContact CD1-CG1 4.44Å; F311-I315 HydrophobicContact CE1-CD1 3.16Å; F311-I315 HydrophobicContact CE1-CG1 4.12Å; F311-I315 HydrophobicContact CZ-CD1 3.74Å; F311-I315 HydrophobicContact CZ-CG1 4.45Å; F311-I315 PolarHBondContact O-N 3.1Å |
| 312 | H | 52.9 | Low | 50.9 | Low | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 174.4 | -80.8 | -68.3 | 0 | 0 | 0 | 112.5 | Y253 R255 I308 E309 N314 I315 S316 | Y253-H312 PolarHBondContact O-CE1 2.89Å; Y253-H312 PolarHBondContact O-NE2 2.95Å; R255-H312 PolarHBondContact NE-CD2 3.45Å; I308-H312 PolarHBondContact O-CD2 3.5Å; I308-H312 PolarHBondContact O-N 3.14Å; I308-H312 VanDerWaalsContact O-N 3.07Å; E309-H312 PolarHBondContact O-N 2.85Å; H312-N314 VanDerWaalsContact C-N 3.3Å; H312-N314 PolarHBondContact O-N 2.99Å; H312-I315 PolarHBondContact O-N 3.48Å; H312-S316 PolarHBondContact O-N 3.45Å; H312-S316 PolarHBondContact O-OG 2.92Å; H312-S316 VanDerWaalsContact O-OG 3.14Å |
| 313 | L | 51.6 | Low | 51 | Low | 113 Ų | 113 | 68.4 Ų | 68.4 | 59% | 0.592 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.5 | -42.5 | 175.4 | -170.9 | 76.1 | 0 | 0 | 0 | 111.8 | E309 L310 F311 S316 S317 | E309-L313 PolarHBondContact O-N 3.35Å; L310-L313 HydrophobicContact CD1-CD2 4.48Å; L310-L313 WeakPolarHBondContact O-CB 3.31Å; L310-L313 PolarHBondContact O-N 3.01Å; F311-L313 VanDerWaalsContact C-N 3.31Å; F311-L313 PolarHBondContact O-N 3.15Å; L313-S316 PolarHBondContact O-N 3.27Å; L313-S317 PolarHBondContact O-N 3.28Å |
| 314 | N | 44.9 | Very low | 50.8 | Low | 53 Ų | 53 | 69.4 Ų | 69.4 | 28% | 0.283 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 178.2 | -70.4 | -32 | 0 | 0 | 0 | 112.1 | L310 F311 H312 S317 Y318 | L310-N314 PolarHBondContact O-N 3.13Å; L310-N314 VanDerWaalsContact O-N 3.15Å; L310-N314 PolarHBondContact O-ND2 3.18Å; F311-N314 WeakPolarHBondContact O-CB 3.42Å; F311-N314 PolarHBondContact O-N 3.43Å; H312-N314 VanDerWaalsContact C-N 3.3Å; H312-N314 PolarHBondContact O-N 2.99Å; N314-S317 PolarHBondContact O-N 2.81Å; N314-Y318 PolarHBondContact O-N 3.16Å |
| 315 | I | 49.4 | Very low | 50 | Low | 18 Ų | 18 | 68 Ų | 68 | 9% | 0.092 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 176.8 | -71.6 | -178.6 | 0 | 0 | 0 | 110.9 | E231 M235 F311 H312 S317 Y318 H319 | E231-I315 HydrophobicContact CB-CG2 3.85Å; E231-I315 HydrophobicContact CG-CG2 3.83Å; M235-I315 HydrophobicContact CB-CD1 4.39Å; F311-I315 HydrophobicContact CD1-CD1 3.73Å; F311-I315 HydrophobicContact CD1-CG1 4.44Å; F311-I315 HydrophobicContact CE1-CD1 3.16Å; F311-I315 HydrophobicContact CE1-CG1 4.12Å; F311-I315 HydrophobicContact CZ-CD1 3.74Å; F311-I315 HydrophobicContact CZ-CG1 4.45Å; F311-I315 PolarHBondContact O-N 3.1Å; H312-I315 PolarHBondContact O-N 3.48Å; I315-S317 VanDerWaalsContact C-N 3.33Å; I315-S317 PolarHBondContact O-N 3.32Å; I315-Y318 WeakPolarHBondContact O-CB 3.48Å; I315-Y318 PolarHBondContact O-N 3.09Å; I315-H319 PolarHBondContact O-CD2 3.19Å; I315-H319 PolarHBondContact O-N 3.21Å |
| 316 | S | 49.3 | Very low | 49.6 | Very low | 39 Ų | 39 | 68.6 Ų | 68.6 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 175.6 | -64.2 | 0 | 0 | 0 | 0 | 111.6 | H312 L313 Y318 H319 S320 | H312-S316 PolarHBondContact O-N 3.45Å; H312-S316 PolarHBondContact O-OG 2.92Å; H312-S316 VanDerWaalsContact O-OG 3.14Å; L313-S316 PolarHBondContact O-N 3.27Å; S316-Y318 VanDerWaalsContact C-N 3.34Å; S316-Y318 PolarHBondContact O-N 3.03Å; S316-H319 PolarHBondContact O-N 3.13Å; S316-S320 PolarHBondContact O-N 3.23Å; S316-S320 PolarHBondContact O-OG 3.36Å |
| 317 | S | 45.6 | Very low | 49.6 | Very low | 74 Ų | 74 | 67.1 Ų | 67.1 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 175.7 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | L313 N314 I315 S320 V321 | L313-S317 PolarHBondContact O-N 3.28Å; N314-S317 PolarHBondContact O-N 2.81Å; I315-S317 VanDerWaalsContact C-N 3.33Å; I315-S317 PolarHBondContact O-N 3.32Å; S317-S320 WeakPolarHBondContact O-CB 3.13Å; S317-S320 PolarHBondContact O-N 2.87Å; S317-V321 WeakPolarHBondContact O-CG2 3.47Å; S317-V321 PolarHBondContact O-N 2.84Å; S317-V321 VanDerWaalsContact O-N 3.15Å |
| 318 | Y | 46.5 | Very low | 49.3 | Very low | 78 Ų | 78 | 66.8 Ų | 66.8 | 31% | 0.306 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 175.7 | 175.5 | -114.7 | 0 | 0 | 0 | 112.4 | N314 I315 S316 S320 V321 Q322 P336 | N314-Y318 PolarHBondContact O-N 3.16Å; I315-Y318 WeakPolarHBondContact O-CB 3.48Å; I315-Y318 PolarHBondContact O-N 3.09Å; S316-Y318 VanDerWaalsContact C-N 3.34Å; S316-Y318 PolarHBondContact O-N 3.03Å; Y318-S320 VanDerWaalsContact C-N 3.35Å; Y318-S320 PolarHBondContact O-N 2.86Å; Y318-V321 WeakPolarHBondContact O-CB 3.22Å; Y318-V321 PolarHBondContact O-N 2.95Å; Y318-Q322 HydrophobicContact CE1-CG 4.49Å; Y318-Q322 HydrophobicContact CE2-CG 4.47Å; Y318-Q322 WeakPolarHBondContact O-CG 3.41Å; Y318-Q322 PolarHBondContact O-N 2.87Å; Y318-Q322 PolarHBondContact OH-NE2 2.79Å; Y318-P336 WeakPolarHBondContact OH-CD 3.08Å |
| 319 | H | 49.7 | Very low | 49 | Very low | 38 Ų | 38 | 73 Ų | 73 | 18% | 0.176 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 175.3 | -79.7 | -56.8 | 0 | 0 | 0 | 113 | I315 S316 V321 Q322 K323 | I315-H319 PolarHBondContact O-CD2 3.19Å; I315-H319 PolarHBondContact O-N 3.21Å; S316-H319 PolarHBondContact O-N 3.13Å; H319-V321 VanDerWaalsContact C-N 3.32Å; H319-V321 PolarHBondContact O-N 2.82Å; H319-Q322 PolarHBondContact ND1-OE1 3.08Å; H319-Q322 PolarHBondContact O-N 3Å; H319-K323 WeakPolarHBondContact O-CB 3.35Å; H319-K323 PolarHBondContact O-N 2.86Å |
| 320 | S | 50.9 | Low | 48.4 | Very low | 72 Ų | 72 | 71.6 Ų | 71.6 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 172.3 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | S316 S317 Y318 Q322 K323 T324 | S316-S320 PolarHBondContact O-N 3.23Å; S316-S320 PolarHBondContact O-OG 3.36Å; S317-S320 WeakPolarHBondContact O-CB 3.13Å; S317-S320 PolarHBondContact O-N 2.87Å; Y318-S320 VanDerWaalsContact C-N 3.35Å; Y318-S320 PolarHBondContact O-N 2.86Å; S320-Q322 PolarHBondContact O-N 3.07Å; S320-K323 PolarHBondContact O-N 3.31Å; S320-T324 PolarHBondContact O-N 3.26Å; S320-T324 PolarHBondContact O-OG1 3.17Å; S320-T324 VanDerWaalsContact O-OG1 3.05Å |
| 321 | V | 46.4 | Very low | 47.7 | Very low | 79 Ų | 79 | 74.2 Ų | 74.2 | 48% | 0.479 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 176.3 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | S317 Y318 H319 K323 T324 C325 | S317-V321 WeakPolarHBondContact O-CG2 3.47Å; S317-V321 PolarHBondContact O-N 2.84Å; S317-V321 VanDerWaalsContact O-N 3.15Å; Y318-V321 WeakPolarHBondContact O-CB 3.22Å; Y318-V321 PolarHBondContact O-N 2.95Å; H319-V321 VanDerWaalsContact C-N 3.32Å; H319-V321 PolarHBondContact O-N 2.82Å; V321-K323 VanDerWaalsContact C-N 3.34Å; V321-K323 PolarHBondContact O-N 2.93Å; V321-T324 PolarHBondContact O-N 3Å; V321-C325 PolarHBondContact O-N 2.7Å; V321-C325 PolarHBondContact O-SG 3.3Å |
| 322 | Q | 48.3 | Very low | 47 | Very low | 15 Ų | 15 | 78.3 Ų | 78.3 | 7% | 0.07 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 177.3 | -68.4 | 174.9 | -22.7 | 0 | 0 | 112.7 | Y318 H319 S320 C325 K326 W333 | Y318-Q322 HydrophobicContact CE1-CG 4.49Å; Y318-Q322 HydrophobicContact CE2-CG 4.47Å; Y318-Q322 WeakPolarHBondContact O-CG 3.41Å; Y318-Q322 PolarHBondContact O-N 2.87Å; Y318-Q322 PolarHBondContact OH-NE2 2.79Å; H319-Q322 PolarHBondContact ND1-OE1 3.08Å; H319-Q322 PolarHBondContact O-N 3Å; S320-Q322 PolarHBondContact O-N 3.07Å; Q322-C325 PolarHBondContact O-N 3.04Å; Q322-K326 WeakPolarHBondContact O-CB 3.21Å; Q322-K326 PolarHBondContact O-N 3.37Å; Q322-W333 HydrophobicContact CB-CD2 4.25Å; Q322-W333 HydrophobicContact CB-CE3 3.81Å; Q322-W333 HydrophobicContact CB-CH2 4.12Å; Q322-W333 HydrophobicContact CB-CZ2 4.44Å; Q322-W333 HydrophobicContact CB-CZ3 3.87Å; Q322-W333 VanDerWaalsContact CD-CE3 3.43Å; Q322-W333 HydrophobicContact CG-CD2 4.37Å; Q322-W333 HydrophobicContact CG-CE3 3.5Å; Q322-W333 HydrophobicContact CG-CH2 4.3Å; Q322-W333 HydrophobicContact CG-CZ3 3.59Å |
| 323 | K | 51.4 | Low | 46.4 | Very low | 136 Ų | 136 | 83.5 Ų | 83.5 | 59% | 0.591 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 177.2 | -171.5 | -178 | 177.1 | -172 | 0 | 110.6 | H319 S320 V321 C325 K326 E327 | H319-K323 WeakPolarHBondContact O-CB 3.35Å; H319-K323 PolarHBondContact O-N 2.86Å; S320-K323 PolarHBondContact O-N 3.31Å; V321-K323 VanDerWaalsContact C-N 3.34Å; V321-K323 PolarHBondContact O-N 2.93Å; K323-C325 PolarHBondContact O-N 2.81Å; K323-K326 WeakPolarHBondContact O-CB 3.47Å; K323-K326 PolarHBondContact O-N 3.16Å; K323-E327 VanDerWaalsContact CE-OE1 3.25Å; K323-E327 WeakPolarHBondContact CE-OE1 3.42Å; K323-E327 WeakPolarHBondContact O-CG 2.78Å; K323-E327 PolarHBondContact O-N 3.18Å |
| 324 | T | 46.6 | Very low | 45.8 | Very low | 63 Ų | 63 | 83.3 Ų | 83.3 | 39% | 0.387 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 174.6 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | S320 V321 K326 E327 C328 | S320-T324 PolarHBondContact O-N 3.26Å; S320-T324 PolarHBondContact O-OG1 3.17Å; S320-T324 VanDerWaalsContact O-OG1 3.05Å; V321-T324 PolarHBondContact O-N 3Å; T324-K326 VanDerWaalsContact C-N 3.29Å; T324-K326 PolarHBondContact O-N 3.1Å; T324-E327 PolarHBondContact O-N 3.33Å; T324-C328 PolarHBondContact O-N 3.45Å; T324-C328 PolarHBondContact O-SG 3.33Å |
| 325 | C | 45.6 | Very low | 45.5 | Very low | 40 Ų | 40 | 85.7 Ų | 85.7 | 27% | 0.27 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61 | -37.2 | 176.4 | -69.4 | 0 | 0 | 0 | 0 | 113 | V321 Q322 K323 C328 L330 | V321-C325 PolarHBondContact O-N 2.7Å; V321-C325 PolarHBondContact O-SG 3.3Å; Q322-C325 PolarHBondContact O-N 3.04Å; K323-C325 PolarHBondContact O-N 2.81Å; C325-C328 PolarHBondContact O-N 2.95Å; C325-L330 HydrophobicContact CB-CD1 4.1Å; C325-L330 PolarHBondContact O-N 2.79Å |
| 326 | K | 47.6 | Very low | 44.7 | Very low | 138 Ų | 138 | 86.9 Ų | 86.9 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.2 | -43.5 | 174.7 | -176.1 | -176.9 | 176.9 | -175.4 | 0 | 111.5 | Q322 K323 T324 C328 N329 | Q322-K326 WeakPolarHBondContact O-CB 3.21Å; Q322-K326 PolarHBondContact O-N 3.37Å; K323-K326 WeakPolarHBondContact O-CB 3.47Å; K323-K326 PolarHBondContact O-N 3.16Å; T324-K326 VanDerWaalsContact C-N 3.29Å; T324-K326 PolarHBondContact O-N 3.1Å; K326-C328 PolarHBondContact O-N 3.49Å; K326-N329 PolarHBondContact O-N 3.28Å |
| 327 | E | 50.6 | Low | 44 | Very low | 124 Ų | 124 | 88.1 Ų | 88.1 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.7 | -32.5 | 175.5 | -72.6 | 166.5 | -179 | 0 | 0 | 111.7 | K323 T324 N329 | K323-E327 VanDerWaalsContact CE-OE1 3.25Å; K323-E327 WeakPolarHBondContact CE-OE1 3.42Å; K323-E327 WeakPolarHBondContact O-CG 2.78Å; K323-E327 PolarHBondContact O-N 3.18Å; T324-E327 PolarHBondContact O-N 3.33Å; E327-N329 PolarHBondContact O-N 3Å |
| 328 | C | 46.1 | Very low | 43.4 | Very low | 58 Ų | 58 | 90.2 Ų | 90.2 | 39% | 0.392 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 7.5 | 172.5 | -61.6 | 0 | 0 | 0 | 0 | 114.6 | T324 C325 K326 L330 | T324-C328 PolarHBondContact O-N 3.45Å; T324-C328 PolarHBondContact O-SG 3.33Å; C325-C328 PolarHBondContact O-N 2.95Å; K326-C328 PolarHBondContact O-N 3.49Å; C328-L330 HydrophobicContact CB-CD1 4.45Å; C328-L330 HydrophobicContact CB-CG 4.16Å; C328-L330 PolarHBondContact O-N 3.13Å |
| 329 | N | 47.7 | Very low | 42.9 | Very low | 147 Ų | 147 | 88.2 Ų | 88.2 | 79% | 0.786 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 34.7 | -179.6 | -74.5 | -42.4 | 0 | 0 | 0 | 114.6 | K326 E327 | K326-N329 PolarHBondContact O-N 3.28Å; E327-N329 PolarHBondContact O-N 3Å |
| 330 | L | 41.9 | Very low | 42.2 | Very low | 101 Ų | 101 | 89.8 Ų | 89.8 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | trans | -75.5 | 129.2 | 175.4 | -61.7 | 175.8 | 0 | 0 | 0 | 110.4 | C325 C328 | C325-L330 HydrophobicContact CB-CD1 4.1Å; C325-L330 PolarHBondContact O-N 2.79Å; C328-L330 HydrophobicContact CB-CD1 4.45Å; C328-L330 HydrophobicContact CB-CG 4.16Å; C328-L330 PolarHBondContact O-N 3.13Å | ||
| 331 | P | 36 | Very low | 41.5 | Very low | 120 Ų | 120 | 88.6 Ų | 88.6 | 78% | 0.779 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -73.3 | 137.5 | -173.4 | 26.8 | -32.9 | 0 | 0 | 0 | 113.3 | ||
| 332 | N | 38.7 | Very low | 40.9 | Very low | 136 Ų | 136 | 90.6 Ų | 90.6 | 73% | 0.727 | 50% | 0.502 | S | S | * | . | trans | 48.8 | 68.8 | 171.3 | -76.5 | -15.1 | 0 | 0 | 0 | 116 | C334 | N332-C334 PolarHBondContact O-N 3.33Š| ||
| 333 | W | 40.2 | Very low | 40.4 | Very low | 112 Ų | 112 | 92.2 Ų | 92.2 | 42% | 0.424 | 51% | 0.513 | S | S | . | . | trans | -76.3 | 39 | 168.7 | 74.2 | -85.1 | 0 | 0 | 0 | 113 | Q322 T335 | Q322-W333 HydrophobicContact CB-CD2 4.25Å; Q322-W333 HydrophobicContact CB-CE3 3.81Å; Q322-W333 HydrophobicContact CB-CH2 4.12Å; Q322-W333 HydrophobicContact CB-CZ2 4.44Å; Q322-W333 HydrophobicContact CB-CZ3 3.87Å; Q322-W333 VanDerWaalsContact CD-CE3 3.43Å; Q322-W333 HydrophobicContact CG-CD2 4.37Å; Q322-W333 HydrophobicContact CG-CE3 3.5Å; Q322-W333 HydrophobicContact CG-CH2 4.3Å; Q322-W333 HydrophobicContact CG-CZ3 3.59Å; W333-T335 PolarHBondContact O-N 3.07Å | ||
| 334 | C | 37.6 | Very low | 39.6 | Very low | 108 Ų | 108 | 94.3 Ų | 94.3 | 73% | 0.73 | 52% | 0.519 | S | S | * | . | trans | -54.6 | 133.9 | 166.8 | -70.1 | 0 | 0 | 0 | 0 | 108.3 | N332 | N332-C334 PolarHBondContact O-N 3.33Š| ||
| 335 | T | 38.9 | Very low | 39 | Very low | 103 Ų | 103 | 95.7 Ų | 95.7 | 63% | 0.632 | 53% | 0.527 | S | S | * | . | trans | -23.8 | 102.7 | -177.7 | -51.4 | 0 | 0 | 0 | 0 | 110.5 | W333 S337 | W333-T335 PolarHBondContact O-N 3.07Å; T335-S337 PolarHBondContact O-N 3.32Å | ||
| 336 | P | 32.9 | Very low | 38.5 | Very low | 44 Ų | 44 | 98.7 Ų | 98.7 | 29% | 0.286 | 54% | 0.535 | S | S | . | . | trans | -62.2 | 143 | -172.8 | -9.3 | 20 | 0 | 0 | 0 | 107.6 | Y318 D340 V341 | Y318-P336 WeakPolarHBondContact OH-CD 3.08Å; P336-D340 HydrophobicContact CB-CB 3.77Å; P336-V341 HydrophobicContact CB-CG2 3.64Å; P336-V341 HydrophobicContact CG-CG2 3.9Å | ||
| 337 | S | 34.7 | Very low | 38.1 | Very low | 64 Ų | 64 | 94.9 Ų | 94.9 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | trans | -58.1 | 152.4 | 170.5 | 74 | 0 | 0 | 0 | 0 | 108.3 | T335 G339 D340 V341 | T335-S337 PolarHBondContact O-N 3.32Å; S337-G339 PolarHBondContact O-N 3.14Å; S337-D340 WeakPolarHBondContact CB-OD2 3.47Å; S337-D340 PolarHBondContact N-OD2 2.78Å; S337-D340 WeakPolarHBondContact O-CA 3.28Å; S337-D340 WeakPolarHBondContact O-CB 3.2Å; S337-D340 PolarHBondContact O-N 3.21Å; S337-D340 PolarHBondContact OG-N 3.18Å; S337-D340 PolarHBondContact OG-OD2 3.3Å; S337-V341 PolarHBondContact O-N 3.4Å | ||
| 338 | V | 33.4 | Very low | 37.4 | Very low | 119 Ų | 119 | 95 Ų | 95 | 72% | 0.721 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -51.7 | -34.1 | 179.9 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | E342 | V338-E342 PolarHBondContact O-N 2.85Å; V338-E342 VanDerWaalsContact O-N 3.09Å |
| 339 | G | 35.9 | Very low | 36.9 | Very low | 35 Ų | 35 | 101.6 Ų | 101.6 | 36% | 0.361 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -72.3 | -28.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S337 T343 | S337-G339 PolarHBondContact O-N 3.14Å; G339-T343 PolarHBondContact O-N 2.85Å; G339-T343 PolarHBondContact O-OG1 3.44Å |
| 340 | D | 35.6 | Very low | 36.2 | Very low | 71 Ų | 71 | 98.9 Ų | 98.9 | 38% | 0.38 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -73.1 | -41.5 | 173.1 | -63 | -47.5 | 0 | 0 | 0 | 110.5 | P336 S337 E342 T343 Y344 | P336-D340 HydrophobicContact CB-CB 3.77Å; S337-D340 WeakPolarHBondContact CB-OD2 3.47Å; S337-D340 PolarHBondContact N-OD2 2.78Å; S337-D340 WeakPolarHBondContact O-CA 3.28Å; S337-D340 WeakPolarHBondContact O-CB 3.2Å; S337-D340 PolarHBondContact O-N 3.21Å; S337-D340 PolarHBondContact OG-N 3.18Å; S337-D340 PolarHBondContact OG-OD2 3.3Å; D340-E342 VanDerWaalsContact C-N 3.3Å; D340-E342 PolarHBondContact O-N 3.09Å; D340-T343 PolarHBondContact O-N 2.96Å; D340-Y344 HydrophobicContact CB-CD2 4.36Å; D340-Y344 HydrophobicContact CB-CE2 4.49Å; D340-Y344 WeakPolarHBondContact O-CD2 3.47Å; D340-Y344 PolarHBondContact O-N 3.26Å |
| 341 | V | 35.9 | Very low | 35.7 | Very low | 48 Ų | 48 | 100.1 Ų | 100.1 | 29% | 0.291 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -57.9 | -44.9 | 173 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | P336 S337 T343 V345 | P336-V341 HydrophobicContact CB-CG2 3.64Å; P336-V341 HydrophobicContact CG-CG2 3.9Å; S337-V341 PolarHBondContact O-N 3.4Å; V341-T343 PolarHBondContact O-N 3.43Å; V341-V345 HydrophobicContact CG1-CG2 3.91Å; V341-V345 VanDerWaalsContact O-CB 3.27Å; V341-V345 WeakPolarHBondContact O-CB 3.27Å; V341-V345 VanDerWaalsContact O-CG2 3.27Å; V341-V345 WeakPolarHBondContact O-CG2 3.5Å; V341-V345 PolarHBondContact O-N 3.21Å |
| 342 | E | 33.9 | Very low | 35.3 | Very low | 120 Ų | 120 | 100.2 Ų | 100.2 | 56% | 0.561 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59 | -35.4 | 175.5 | -87.8 | -172.9 | 155.8 | 0 | 0 | 112.9 | V338 D340 F346 | V338-E342 PolarHBondContact O-N 2.85Å; V338-E342 VanDerWaalsContact O-N 3.09Å; D340-E342 VanDerWaalsContact C-N 3.3Å; D340-E342 PolarHBondContact O-N 3.09Å; E342-F346 VanDerWaalsContact CA-CD2 3.47Å; E342-F346 HydrophobicContact CB-CD2 4.07Å; E342-F346 HydrophobicContact CB-CE2 4.33Å; E342-F346 HydrophobicContact CG-CD2 4.06Å; E342-F346 HydrophobicContact CG-CE2 3.97Å; E342-F346 VanDerWaalsContact O-CB 3.24Å; E342-F346 WeakPolarHBondContact O-CB 3.35Å; E342-F346 WeakPolarHBondContact O-CD2 3.37Å; E342-F346 PolarHBondContact O-N 3.43Å |
| 343 | T | 37.3 | Very low | 35 | Very low | 50 Ų | 50 | 98.8 Ų | 98.8 | 31% | 0.307 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -79.3 | -42.3 | -175.7 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | G339 D340 V341 G347 R348 | G339-T343 PolarHBondContact O-N 2.85Å; G339-T343 PolarHBondContact O-OG1 3.44Å; D340-T343 PolarHBondContact O-N 2.96Å; V341-T343 PolarHBondContact O-N 3.43Å; T343-G347 PolarHBondContact O-N 3.39Å; T343-R348 HydrophobicContact CG2-CB 4.27Å |
| 344 | Y | 35.2 | Very low | 34.7 | Very low | 180 Ų | 180 | 100.1 Ų | 100.1 | 71% | 0.706 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -79.4 | -33.3 | -177.2 | -77.7 | -74.7 | 0 | 0 | 0 | 113.3 | D340 | D340-Y344 HydrophobicContact CB-CD2 4.36Å; D340-Y344 HydrophobicContact CB-CE2 4.49Å; D340-Y344 WeakPolarHBondContact O-CD2 3.47Å; D340-Y344 PolarHBondContact O-N 3.26Å |
| 345 | V | 33.1 | Very low | 34.7 | Very low | 92 Ų | 92 | 101.2 Ų | 101.2 | 56% | 0.558 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -86.1 | -31.2 | -179.4 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | V341 | V341-V345 HydrophobicContact CG1-CG2 3.91Å; V341-V345 VanDerWaalsContact O-CB 3.27Å; V341-V345 WeakPolarHBondContact O-CB 3.27Å; V341-V345 VanDerWaalsContact O-CG2 3.27Å; V341-V345 WeakPolarHBondContact O-CG2 3.5Å; V341-V345 PolarHBondContact O-N 3.21Å |
| 346 | F | 35.8 | Very low | 34.6 | Very low | 102 Ų | 102 | 97.6 Ų | 97.6 | 45% | 0.447 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 14.7 | -175.3 | -46.6 | -53.7 | 0 | 0 | 0 | 114.9 | L76 E342 | L76-F346 HydrophobicContact CD1-CD1 3.72Å; L76-F346 HydrophobicContact CD1-CE1 3.23Å; L76-F346 HydrophobicContact CD1-CZ 4Å; L76-F346 HydrophobicContact CD2-CD1 4.01Å; L76-F346 HydrophobicContact CD2-CD2 4.31Å; L76-F346 HydrophobicContact CD2-CE1 3.33Å; L76-F346 HydrophobicContact CD2-CE2 3.67Å; L76-F346 HydrophobicContact CD2-CG 4.5Å; L76-F346 HydrophobicContact CD2-CZ 3.16Å; L76-F346 HydrophobicContact CG-CD1 4.49Å; L76-F346 HydrophobicContact CG-CE1 3.88Å; L76-F346 HydrophobicContact CG-CZ 4.16Å; E342-F346 VanDerWaalsContact CA-CD2 3.47Å; E342-F346 HydrophobicContact CB-CD2 4.07Å; E342-F346 HydrophobicContact CB-CE2 4.33Å; E342-F346 HydrophobicContact CG-CD2 4.06Å; E342-F346 HydrophobicContact CG-CE2 3.97Å; E342-F346 VanDerWaalsContact O-CB 3.24Å; E342-F346 WeakPolarHBondContact O-CB 3.35Å; E342-F346 WeakPolarHBondContact O-CD2 3.37Å; E342-F346 PolarHBondContact O-N 3.43Å |
| 347 | G | 38.8 | Very low | 34.7 | Very low | 58 Ų | 58 | 100.2 Ų | 100.2 | 60% | 0.598 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.7 | 46.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | T343 Q349 | T343-G347 PolarHBondContact O-N 3.39Å; G347-Q349 PolarHBondContact O-N 3.06Å |
| 348 | R | 35.7 | Very low | 34.7 | Very low | 127 Ų | 127 | 101.7 Ų | 101.7 | 48% | 0.479 | 57% | 0.567 | S | S | . | * | trans | -78.4 | 109 | 156.1 | -80.5 | -172.2 | 176.7 | 137.3 | -1 | 108.3 | V82 T343 V350 | V82-R348 PolarHBondContact O-NH2 3.32Å; T343-R348 HydrophobicContact CG2-CB 4.27Å; R348-V350 PolarHBondContact O-N 2.93Å | ||
| 349 | Q | 35.8 | Very low | 34.7 | Very low | 196 Ų | 196 | 100 Ų | 100 | 92% | 0.916 | 55% | 0.553 | S | S | * | * | trans | -60.5 | 110 | 178.1 | -73.7 | -172.3 | -8.6 | 0 | 0 | 110.4 | G347 | G347-Q349 PolarHBondContact O-N 3.06Š| ||
| 350 | V | 32.6 | Very low | 34.5 | Very low | 91 Ų | 91 | 103.4 Ų | 103.4 | 55% | 0.552 | 56% | 0.563 | S | S | * | * | trans | -74.7 | 142.1 | 153.6 | -177.3 | 0 | 0 | 0 | 0 | 106.3 | R348 M352 | R348-V350 PolarHBondContact O-N 2.93Å; V350-M352 PolarHBondContact O-N 3.21Å | ||
| 351 | P | 31.9 | Very low | 34.5 | Very low | 126 Ų | 126 | 106.6 Ų | 106.6 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | trans | -57.4 | 110.1 | 173.4 | -15.9 | 28.2 | 0 | 0 | 0 | 108 | ||||
| 352 | M | 27.6 | Very low | 34.5 | Very low | 123 Ų | 123 | 110.3 Ų | 110.3 | 61% | 0.606 | 59% | 0.59 | S | S | * | * | trans | -75.6 | 144.7 | -177.4 | -70.7 | -77.4 | -80.4 | 0 | 0 | 109.9 | V350 T356 | V350-M352 PolarHBondContact O-N 3.21Å; M352-T356 HydrophobicContact CB-CG2 4.37Å; M352-T356 WeakPolarHBondContact CB-OG1 3.44Å; M352-T356 HydrophobicContact CE-CG2 3.34Å; M352-T356 WeakPolarHBondContact CE-OG1 3.46Å; M352-T356 HydrophobicContact CG-CG2 4.17Å | ||
| 353 | P | 33.2 | Very low | 34.3 | Very low | 105 Ų | 105 | 109.7 Ų | 109.7 | 68% | 0.682 | 59% | 0.585 | S | S | * | * | trans | -61.4 | 147.7 | 169.9 | 24.5 | -30.2 | 0 | 0 | 0 | 110.7 | N355 T356 | P353-N355 PolarHBondContact O-N 3.09Å; P353-T356 PolarHBondContact O-OG1 3.44Å | ||
| 354 | V | 33.7 | Very low | 34.1 | Very low | 141 Ų | 141 | 113.8 Ų | 113.8 | 86% | 0.855 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | 0.7 | -152.6 | -176.9 | 0 | 0 | 0 | 0 | 118.5 | ||
| 355 | N | 37.9 | Very low | 34.1 | Very low | 131 Ų | 131 | 108.6 Ų | 108.6 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | 18.5 | -171.9 | -72.8 | -18.9 | 0 | 0 | 0 | 116.7 | P353 | P353-N355 PolarHBondContact O-N 3.09Š|
| 356 | T | 36.4 | Very low | 34.2 | Very low | 27 Ų | 27 | 108.4 Ų | 108.4 | 17% | 0.166 | 59% | 0.587 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -65.1 | -31.9 | -178.5 | -41.1 | 0 | 0 | 0 | 0 | 118 | M352 P353 V358 I359 L360 | M352-T356 HydrophobicContact CB-CG2 4.37Å; M352-T356 WeakPolarHBondContact CB-OG1 3.44Å; M352-T356 HydrophobicContact CE-CG2 3.34Å; M352-T356 WeakPolarHBondContact CE-OG1 3.46Å; M352-T356 HydrophobicContact CG-CG2 4.17Å; P353-T356 PolarHBondContact O-OG1 3.44Å; T356-V358 PolarHBondContact O-N 3.39Å; T356-V358 VanDerWaalsContact O-N 3.14Å; T356-I359 PolarHBondContact O-N 3Å; T356-I359 VanDerWaalsContact O-N 3.1Å; T356-L360 HydrophobicContact CG2-CD1 4.48Å |
| 357 | P | 34 | Very low | 34 | Very low | 98 Ų | 98 | 106.1 Ų | 106.1 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.4 | -29 | -171.9 | -23.4 | 32 | 0 | 0 | 0 | 114.4 | I359 | P357-I359 VanDerWaalsContact C-N 3.33Å |
| 358 | V | 36.2 | Very low | 33.9 | Very low | 95 Ų | 95 | 111 Ų | 111 | 58% | 0.576 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.7 | -28.8 | -179.3 | -178.7 | 0 | 0 | 0 | 0 | 112 | T356 | T356-V358 PolarHBondContact O-N 3.39Å; T356-V358 VanDerWaalsContact O-N 3.14Å |
| 359 | I | 33.3 | Very low | 34 | Very low | 83 Ų | 83 | 112.5 Ų | 112.5 | 43% | 0.426 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -77.9 | -38 | -175.2 | -64.5 | 173.1 | 0 | 0 | 0 | 110.8 | T356 P357 Q361 Q362 F363 | T356-I359 PolarHBondContact O-N 3Å; T356-I359 VanDerWaalsContact O-N 3.1Å; P357-I359 VanDerWaalsContact C-N 3.33Å; I359-Q361 PolarHBondContact O-N 3.04Å; I359-Q362 PolarHBondContact O-N 3.02Å; I359-F363 HydrophobicContact CG2-CD2 3.88Å; I359-F363 HydrophobicContact CG2-CE2 3.5Å; I359-F363 VanDerWaalsContact CG2-CE2 3.5Å; I359-F363 WeakPolarHBondContact O-CD2 3.05Å; I359-F363 PolarHBondContact O-N 3.44Å |
| 360 | L | 31.2 | Very low | 34.1 | Very low | 107 Ų | 107 | 110.1 Ų | 110.1 | 56% | 0.56 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.9 | -33.1 | 179.9 | -70.7 | 171.3 | 0 | 0 | 0 | 113 | T356 Q362 F363 E364 | T356-L360 HydrophobicContact CG2-CD1 4.48Å; L360-Q362 VanDerWaalsContact C-N 3.28Å; L360-Q362 PolarHBondContact O-N 2.97Å; L360-F363 HydrophobicContact CD2-CD2 4.38Å; L360-F363 WeakPolarHBondContact O-CB 3.48Å; L360-F363 PolarHBondContact O-N 3.28Å; L360-E364 PolarHBondContact O-N 3.36Å |
| 361 | Q | 35.2 | Very low | 34.1 | Very low | 139 Ų | 139 | 108.8 Ų | 108.8 | 65% | 0.65 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64 | -33.4 | 172.4 | -102.2 | 179.8 | -20.6 | 0 | 0 | 112.5 | I359 T365 | I359-Q361 PolarHBondContact O-N 3.04Å; Q361-T365 PolarHBondContact O-N 3.25Å; Q361-T365 PolarHBondContact O-OG1 3.42Å |
| 362 | Q | 35.2 | Very low | 34.4 | Very low | 126 Ų | 126 | 109.4 Ų | 109.4 | 59% | 0.589 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72 | -33.7 | 175.6 | -69.8 | 179.5 | -23.4 | 0 | 0 | 112 | I359 L360 T365 V366 | I359-Q362 PolarHBondContact O-N 3.02Å; L360-Q362 VanDerWaalsContact C-N 3.28Å; L360-Q362 PolarHBondContact O-N 2.97Å; Q362-T365 PolarHBondContact O-N 3.37Å; Q362-V366 WeakPolarHBondContact O-CG2 3.25Å; Q362-V366 PolarHBondContact O-N 3.28Å; Q362-V366 VanDerWaalsContact O-N 3.15Å |
| 363 | F | 30.2 | Very low | 34.6 | Very low | 106 Ų | 106 | 114.6 Ų | 114.6 | 47% | 0.465 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.2 | -43.2 | 175.5 | -84 | -73.1 | 0 | 0 | 0 | 113.5 | I359 L360 A367 | I359-F363 HydrophobicContact CG2-CD2 3.88Å; I359-F363 HydrophobicContact CG2-CE2 3.5Å; I359-F363 VanDerWaalsContact CG2-CE2 3.5Å; I359-F363 WeakPolarHBondContact O-CD2 3.05Å; I359-F363 PolarHBondContact O-N 3.44Å; L360-F363 HydrophobicContact CD2-CD2 4.38Å; L360-F363 WeakPolarHBondContact O-CB 3.48Å; L360-F363 PolarHBondContact O-N 3.28Å; F363-A367 PolarHBondContact O-N 2.95Å |
| 364 | E | 34.2 | Very low | 34.7 | Very low | 137 Ų | 137 | 116.7 Ų | 116.7 | 64% | 0.64 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.1 | -38 | 177.7 | -75.2 | 175.7 | 162.9 | 0 | 0 | 111.5 | L360 V366 A367 E368 | L360-E364 PolarHBondContact O-N 3.36Å; E364-V366 PolarHBondContact O-N 3.12Å; E364-A367 PolarHBondContact O-N 3.44Å; E364-E368 WeakPolarHBondContact O-CG 3.1Å; E364-E368 PolarHBondContact O-N 3.02Å; E364-E368 VanDerWaalsContact O-N 3.14Å |
| 365 | T | 33.8 | Very low | 34.4 | Very low | 71 Ų | 71 | 117.4 Ų | 117.4 | 44% | 0.436 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.8 | -36.8 | -179.5 | -42.7 | 0 | 0 | 0 | 0 | 112.4 | Q361 Q362 Q369 | Q361-T365 PolarHBondContact O-N 3.25Å; Q361-T365 PolarHBondContact O-OG1 3.42Å; Q362-T365 PolarHBondContact O-N 3.37Å; T365-Q369 WeakPolarHBondContact O-CG 3Å; T365-Q369 PolarHBondContact O-N 3.2Å |
| 366 | V | 35.3 | Very low | 34.2 | Very low | 87 Ų | 87 | 116.8 Ų | 116.8 | 53% | 0.527 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -73.2 | -37.1 | 178 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | Q362 E364 E368 Q369 E370 | Q362-V366 WeakPolarHBondContact O-CG2 3.25Å; Q362-V366 PolarHBondContact O-N 3.28Å; Q362-V366 VanDerWaalsContact O-N 3.15Å; E364-V366 PolarHBondContact O-N 3.12Å; V366-E368 VanDerWaalsContact C-N 3.32Å; V366-E368 PolarHBondContact O-N 3.24Å; V366-Q369 PolarHBondContact O-N 2.69Å; V366-E370 PolarHBondContact O-N 3.34Å; V366-E370 VanDerWaalsContact O-N 3.15Å |
| 367 | A | 31.6 | Very low | 33.8 | Very low | 54 Ų | 54 | 123.3 Ų | 123.3 | 45% | 0.446 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67.2 | -32 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F363 E364 | F363-A367 PolarHBondContact O-N 2.95Å; E364-A367 PolarHBondContact O-N 3.44Å |
| 368 | E | 37.4 | Very low | 33.9 | Very low | 161 Ų | 161 | 125.7 Ų | 125.7 | 75% | 0.752 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.9 | -34 | 173.3 | -75.4 | -177.3 | 163.6 | 0 | 0 | 112.9 | E364 V366 | E364-E368 WeakPolarHBondContact O-CG 3.1Å; E364-E368 PolarHBondContact O-N 3.02Å; E364-E368 VanDerWaalsContact O-N 3.14Å; V366-E368 VanDerWaalsContact C-N 3.32Å; V366-E368 PolarHBondContact O-N 3.24Å |
| 369 | Q | 38 | Very low | 33.5 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.4 | -30.8 | 178.3 | -74.5 | -174.1 | -5 | 0 | 0 | 113.5 | T365 V366 G371 | T365-Q369 WeakPolarHBondContact O-CG 3Å; T365-Q369 PolarHBondContact O-N 3.2Å; V366-Q369 PolarHBondContact O-N 2.69Å; Q369-G371 VanDerWaalsContact C-N 3.29Å; Q369-G371 PolarHBondContact O-N 3.26Å |
| 370 | E | 38.1 | Very low | 33.5 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 7.7 | 179 | -69.1 | -68.8 | 149.8 | 0 | 0 | 113.7 | V366 I372 | V366-E370 PolarHBondContact O-N 3.34Å; V366-E370 VanDerWaalsContact O-N 3.15Å; E370-I372 VanDerWaalsContact C-N 3.26Å; E370-I372 HydrophobicContact CB-CG1 4.44Å; E370-I372 PolarHBondContact O-N 3.09Å; E370-I372 VanDerWaalsContact O-N 3.13Å |
| 371 | G | 31.7 | Very low | 33.5 | Very low | 63 Ų | 63 | 138.8 Ų | 138.8 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.8 | 20.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q369 R373 | Q369-G371 VanDerWaalsContact C-N 3.29Å; Q369-G371 PolarHBondContact O-N 3.26Å; G371-R373 PolarHBondContact O-N 2.71Å |
| 372 | I | 37.4 | Very low | 33.2 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | trans | -79.3 | 73.5 | 179.4 | -50.1 | 179.2 | 0 | 0 | 0 | 109.3 | E370 | E370-I372 VanDerWaalsContact C-N 3.26Å; E370-I372 HydrophobicContact CB-CG1 4.44Å; E370-I372 PolarHBondContact O-N 3.09Å; E370-I372 VanDerWaalsContact O-N 3.13Å | ||
| 373 | R | 32.7 | Very low | 32.9 | Very low | 232 Ų | 232 | 137.5 Ų | 137.5 | 88% | 0.875 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 120 | 166.7 | -129.7 | -177.2 | -171.6 | -165.9 | 2.8 | 109.6 | G371 N375 | G371-R373 PolarHBondContact O-N 2.71Å; R373-N375 PolarHBondContact O-N 3.28Å |
| 374 | N | 34.6 | Very low | 32.9 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 118.8 | 159.5 | -73.9 | -47.9 | 0 | 0 | 0 | 108.7 | ||
| 375 | N | 28.3 | Very low | 32.6 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 117.5 | 163 | -110.9 | -9.5 | 0 | 0 | 0 | 108.4 | R373 | R373-N375 PolarHBondContact O-N 3.28Š|
| 376 | P | 33.1 | Very low | 33.2 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 137.6 | 170.9 | 29.5 | -27.9 | 0 | 0 | 0 | 110 | ||
| 377 | L | 29.4 | Very low | 33 | Very low | 163 Ų | 163 | 150.4 Ų | 150.4 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 131.8 | 178.8 | -82.9 | 157 | 0 | 0 | 0 | 112.3 | ||
| 378 | E | 34 | Very low | 33.1 | Very low | 148 Ų | 148 | 155.1 Ų | 155.1 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | 60.8 | 125.3 | 145.6 | -66.7 | -170.1 | 152.3 | 0 | 0 | 122.4 | ||||
| 379 | E | 29.4 | Very low | 32.8 | Very low | 202 Ų | 202 | 154 Ų | 154 | 94% | 0.944 | 78% | 0.776 | S | S | * | * | -131.7 | 125.7 | 128.7 | -90.3 | -170.8 | 168.1 | 0 | 0 | 110.2 | |||||
| 380 | Q | 33 | Very low | 32.4 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | trans | -71.2 | 149.2 | 176.8 | -64.7 | 175.1 | -5.4 | 0 | 0 | 112.3 | ||||
| 381 | K | 30.1 | Very low | 32.2 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | trans | -165.2 | 104.9 | 142.5 | -107.2 | 163 | -169.2 | 175.8 | 0 | 113.6 | ||||
| 382 | T | 29.2 | Very low | 31.9 | Very low | 116 Ų | 116 | 153.3 Ų | 153.3 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | 44.8 | 122.6 | 131.2 | 57.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 383 | T | 30.1 | Very low | 31.3 | Very low | 122 Ų | 122 | 154.9 Ų | 154.9 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 71.4 | 112.1 | 135.5 | 62.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 384 | K | 30.1 | Very low | 31 | Very low | 204 Ų | 204 | 148.1 Ų | 148.1 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | 172.5 | 135.7 | 97.6 | -92.5 | -177.7 | -180 | 177.1 | 0 | 112.3 | |||||
| 385 | D | 28.4 | Very low | 30.6 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -7.3 | 162.1 | 161.3 | -123.5 | 17.2 | 0 | 0 | 0 | 123 | ||||
| 386 | P | 46 | Very low | 30.8 | Very low | 90 Ų | 90 | 150.5 Ų | 150.5 | 58% | 0.584 | 81% | 0.813 | S | S | * | * | trans | -96.7 | 166.8 | -158.6 | 41.3 | -37.7 | 0 | 0 | 0 | 113.9 | ||||
| 387 | R | 31.3 | Very low | 30.7 | Very low | 220 Ų | 220 | 152.2 Ų | 152.2 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | trans | 89.2 | 87.8 | 179.9 | -54.4 | 172.6 | -71.4 | 178.1 | -3.9 | 113.5 | ||||
| 388 | D | 32.8 | Very low | 30.8 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -150.9 | 89.4 | 146.4 | -93 | -32.7 | 0 | 0 | 0 | 105.6 | ||||
| 389 | I | 30.8 | Very low | 30.6 | Very low | 136 Ų | 136 | 151.8 Ų | 151.8 | 70% | 0.697 | 82% | 0.82 | S | S | * | * | 72 | 110.4 | 87.7 | -63.7 | 171.2 | 0 | 0 | 0 | 111.6 | |||||
| 390 | S | 30.4 | Very low | 30.7 | Very low | 92 Ų | 92 | 148.8 Ų | 148.8 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | trans | -8 | 122.8 | 153.5 | 61.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 391 | V | 32.5 | Very low | 30.5 | Very low | 138 Ų | 138 | 148 Ų | 148 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -149.7 | 90.2 | 142.4 | -176.6 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 392 | L | 25.7 | Very low | 30.5 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | 39.9 | 123.4 | 92.8 | -80.5 | 170 | 0 | 0 | 0 | 114.1 | |||||
| 393 | E | 25.1 | Very low | 30.6 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | trans | 65.9 | 106.3 | 137 | -65.7 | 171.4 | 151.1 | 0 | 0 | 118.9 | ||||
| 394 | A | 26.5 | Very low | 30.7 | Very low | 90 Ų | 90 | 148.7 Ų | 148.7 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | 170.8 | 108.7 | 118 | 0 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 395 | L | 26.6 | Very low | 30.7 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | 43.2 | 91 | 95.5 | -76.9 | 173.2 | 0 | 0 | 0 | 113 | |||||
| 396 | A | 32.5 | Very low | 30.9 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 100% | 1.479 | 82% | 0.819 | S | S | * | * | trans | 170.2 | 0 | 134.7 | 0 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 396 of 396 residues in 127.5 ms
(Link to these results)