| 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 | 57.5 | Low | 50.1 | Low | 221 Ų | 221 | 153.1 Ų | 153.1 | 100% | 1.089 | 75% | 0.747 | S | S | * | * | 0 | -33.4 | 0 | -66.9 | 175.1 | 79.9 | 0 | 0 | 114.3 | R3 F4 | M1-R3 PolarHBondContact O-N 3.49Å; M1-F4 PolarHBondContact O-N 3.03Å | |||
| 2 | L | 51.1 | Low | 49.7 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -57.7 | -31.4 | -174.9 | -76.1 | 159.4 | 0 | 0 | 0 | 116.9 | F4 | L2-F4 VanDerWaalsContact C-N 3.25Å; L2-F4 PolarHBondContact O-N 3.32Å |
| 3 | R | 47.9 | Very low | 49.1 | Very low | 223 Ų | 223 | 145.3 Ų | 145.3 | 84% | 0.842 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -69.6 | -14.8 | -178.4 | -63.7 | -169.4 | -173.9 | -165.6 | 3.4 | 114.9 | M1 | M1-R3 PolarHBondContact O-N 3.49Å |
| 4 | F | 51.9 | Low | 48.8 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -80.2 | -34.7 | -179 | -147.1 | -92.8 | 0 | 0 | 0 | 112.1 | M1 L2 K7 F8 | M1-F4 PolarHBondContact O-N 3.03Å; L2-F4 VanDerWaalsContact C-N 3.25Å; L2-F4 PolarHBondContact O-N 3.32Å; F4-K7 PolarHBondContact O-N 3.24Å; F4-F8 HydrophobicContact CE1-CE2 4.48Å |
| 5 | I | 56.7 | Low | 48.5 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 65% | 0.646 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -66.8 | -39.5 | 178.4 | -60.3 | 171.4 | 0 | 0 | 0 | 110.4 | K7 F8 S9 | I5-K7 VanDerWaalsContact C-N 3.3Å; I5-K7 PolarHBondContact O-N 3.02Å; I5-F8 PolarHBondContact O-N 2.89Å; I5-S9 PolarHBondContact O-N 3.12Å |
| 6 | Q | 53.1 | Low | 48.2 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | H | α-helix | trans | -66.1 | -30 | -178.7 | -156 | 171 | 8.8 | 0 | 0 | 113.1 | S9 | Q6-S9 PolarHBondContact O-N 2.94Å |
| 7 | K | 49.7 | Very low | 47.9 | Very low | 167 Ų | 167 | 154.6 Ų | 154.6 | 73% | 0.726 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -67.2 | -32.7 | 173.8 | -91.3 | -169.6 | 171.7 | -173.3 | 0 | 113.5 | F4 I5 | F4-K7 PolarHBondContact O-N 3.24Å; I5-K7 VanDerWaalsContact C-N 3.3Å; I5-K7 PolarHBondContact O-N 3.02Å |
| 8 | F | 47.9 | Very low | 47.3 | Very low | 156 Ų | 156 | 158.1 Ų | 158.1 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | H | α-helix | trans | -72.5 | -32.6 | 176.9 | -101.5 | -87.7 | 0 | 0 | 0 | 112.7 | F4 I5 Q10 A11 | F4-F8 HydrophobicContact CE1-CE2 4.48Å; I5-F8 PolarHBondContact O-N 2.89Å; F8-Q10 PolarHBondContact O-N 2.93Å; F8-A11 PolarHBondContact O-N 3.35Å |
| 9 | S | 45.8 | Very low | 46.6 | Very low | 95 Ų | 95 | 156.2 Ų | 156.2 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | H | α-helix | trans | -61.1 | -41.6 | 177.5 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | I5 Q6 A11 | I5-S9 PolarHBondContact O-N 3.12Å; Q6-S9 PolarHBondContact O-N 2.94Å; S9-A11 VanDerWaalsContact C-N 3.34Å; S9-A11 PolarHBondContact O-N 3.4Å |
| 10 | Q | 45.8 | Very low | 46.2 | Very low | 169 Ų | 169 | 157.5 Ų | 157.5 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -13 | -178.8 | -101.7 | 177.6 | -14.3 | 0 | 0 | 115.2 | F8 | F8-Q10 PolarHBondContact O-N 2.93Š|
| 11 | A | 43.8 | Very low | 46 | Very low | 76 Ų | 76 | 155.9 Ų | 155.9 | 63% | 0.628 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -17.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | F8 S9 | F8-A11 PolarHBondContact O-N 3.35Å; S9-A11 VanDerWaalsContact C-N 3.34Å; S9-A11 PolarHBondContact O-N 3.4Å |
| 12 | S | 45 | Very low | 45.1 | Very low | 101 Ų | 101 | 151.8 Ų | 151.8 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -84.2 | -12 | -166.4 | -157.8 | 0 | 0 | 0 | 0 | 115.3 | K14 | S12-K14 VanDerWaalsContact C-N 3.35Å; S12-K14 PolarHBondContact O-N 3.39Å |
| 13 | S | 42.1 | Very low | 44.4 | Very low | 104 Ų | 104 | 148.1 Ų | 148.1 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -81 | -2.1 | -170 | 60 | 0 | 0 | 0 | 0 | 116.1 | ||
| 14 | K | 45 | Very low | 43.8 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -107.3 | 1.1 | -170.6 | -73.7 | -168.2 | 175.6 | -176.1 | 0 | 116.8 | S12 | S12-K14 VanDerWaalsContact C-N 3.35Å; S12-K14 PolarHBondContact O-N 3.39Å |
| 15 | M | 44.1 | Very low | 42.6 | Very low | 181 Ų | 181 | 149.3 Ų | 149.3 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -122.1 | 21.4 | -173.9 | -111.2 | -174.5 | 82 | 0 | 0 | 116.6 | ||
| 16 | L | 43.7 | Very low | 41.6 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | trans | -114.5 | 59.5 | 172.9 | -156.8 | 101.5 | 0 | 0 | 0 | 112.8 | ||||
| 17 | K | 44.1 | Very low | 40.7 | Very low | 196 Ų | 196 | 146.2 Ų | 146.2 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | -138.8 | 74.4 | 167.1 | -83.6 | -168.9 | 175.6 | -179.6 | 0 | 111.5 | ||||
| 18 | Y | 37.2 | Very low | 40 | Very low | 217 Ų | 217 | 149.5 Ų | 149.5 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -126.4 | 93.8 | 156.9 | -88.2 | -81.4 | 0 | 0 | 0 | 108.4 | F20 | Y18-F20 PolarHBondContact O-N 3.43Š| ||
| 19 | S | 33.6 | Very low | 39.3 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -73.6 | 112.1 | 169.4 | -63.9 | 0 | 0 | 0 | 0 | 108.8 | P21 | S19-P21 WeakPolarHBondContact O-CD 3.26Š| ||
| 20 | F | 38.6 | Very low | 38.6 | Very low | 182 Ų | 182 | 150.6 Ų | 150.6 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | trans | -72.9 | 123.2 | 165.6 | -74.8 | -90.2 | 0 | 0 | 0 | 109 | Y18 V22 | Y18-F20 PolarHBondContact O-N 3.43Å; F20-V22 PolarHBondContact O-N 3.24Å | ||
| 21 | P | 41.6 | Very low | 38.2 | Very low | 125 Ų | 125 | 149.5 Ų | 149.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -73.9 | 108.4 | 173.4 | 29.5 | -31.6 | 0 | 0 | 0 | 109.1 | S19 G23 | S19-P21 WeakPolarHBondContact O-CD 3.26Å; P21-G23 PolarHBondContact O-N 2.91Å; P21-G23 VanDerWaalsContact O-N 3.14Å | ||
| 22 | V | 38.5 | Very low | 37.7 | Very low | 134 Ų | 134 | 154 Ų | 154 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -68 | 110.4 | 169.2 | 174.4 | 0 | 0 | 0 | 0 | 108.1 | F20 L24 | F20-V22 PolarHBondContact O-N 3.24Å; V22-L24 PolarHBondContact O-N 3.45Å | ||
| 23 | G | 37.1 | Very low | 37 | Very low | 72 Ų | 72 | 154 Ų | 154 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -65.8 | 98.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P21 R25 | P21-G23 PolarHBondContact O-N 2.91Å; P21-G23 VanDerWaalsContact O-N 3.14Å; G23-R25 PolarHBondContact O-N 3.44Å | ||
| 24 | L | 33.8 | Very low | 36.6 | Very low | 162 Ų | 162 | 158 Ų | 158 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | -69.3 | 84.5 | 179 | -165.2 | 84.6 | 0 | 0 | 0 | 110.8 | V22 A26 | V22-L24 PolarHBondContact O-N 3.45Å; L24-A26 PolarHBondContact O-N 3.37Å; L24-A26 VanDerWaalsContact O-N 3.08Å | ||
| 25 | R | 28.4 | Very low | 35.9 | Very low | 242 Ų | 242 | 158 Ų | 158 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | trans | -74.1 | 97.6 | 168.4 | 178.6 | 173.2 | -91.9 | -160.9 | -5.2 | 108.8 | G23 S27 | G23-R25 PolarHBondContact O-N 3.44Å; R25-S27 PolarHBondContact O-N 3.08Å | ||
| 26 | A | 35.8 | Very low | 35.3 | Very low | 89 Ų | 89 | 157.3 Ų | 157.3 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -58.5 | 123.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | L24 | L24-A26 PolarHBondContact O-N 3.37Å; L24-A26 VanDerWaalsContact O-N 3.08Å | ||
| 27 | S | 33.7 | Very low | 34.8 | Very low | 118 Ų | 118 | 154.7 Ų | 154.7 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -105.2 | 137.5 | 158.9 | -167.7 | 0 | 0 | 0 | 0 | 108.2 | R25 | R25-S27 PolarHBondContact O-N 3.08Š| ||
| 28 | R | 34.3 | Very low | 34.4 | Very low | 237 Ų | 237 | 152.8 Ų | 152.8 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | trans | -70.7 | 133.4 | -165.4 | -154.5 | 176.8 | -168.5 | 169.6 | 0.6 | 110.9 | ||||
| 29 | T | 34.5 | Very low | 34.2 | Very low | 112 Ų | 112 | 150.2 Ų | 150.2 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | trans | -73.1 | 135 | 171 | 47.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 30 | D | 30.9 | Very low | 34.2 | Very low | 161 Ų | 161 | 151.1 Ų | 151.1 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -130.7 | 120.1 | 147.6 | -85.2 | -51.3 | 0 | 0 | 0 | 108.4 | ||||
| 31 | I | 37.5 | Very low | 33.9 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -120.8 | 120.2 | 178.7 | -67.7 | 171.3 | 0 | 0 | 0 | 106.7 | ||||
| 32 | L | 31.6 | Very low | 33.4 | Very low | 171 Ų | 171 | 151.3 Ų | 151.3 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | 165.8 | 141.2 | 156.4 | -90.9 | 151.3 | 0 | 0 | 0 | 106.2 | ||||
| 33 | S | 31.6 | Very low | 33.5 | Very low | 101 Ų | 101 | 150 Ų | 150 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | cis | -154.6 | 147.5 | 3 | 55.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 34 | F | 32.5 | Very low | 34 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 82% | 0.82 | 79% | 0.787 | S | S | * | * | trans | -84.9 | 120.9 | 174.3 | -176.2 | -88.3 | 0 | 0 | 0 | 109.9 | ||||
| 35 | K | 31.5 | Very low | 34.3 | Very low | 195 Ų | 195 | 153.1 Ų | 153.1 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -145.1 | 111.3 | 159.8 | -94.6 | -153.1 | 172.2 | -170 | 0 | 112.6 | ||||
| 36 | M | 31.6 | Very low | 35.5 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -62.7 | 141.1 | 147 | -78.5 | 168.3 | 134.2 | 0 | 0 | 109.6 | ||||
| 37 | S | 32 | Very low | 36 | Very low | 113 Ų | 113 | 154.1 Ų | 154.1 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -144.4 | 106.7 | 156.9 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 38 | L | 36.4 | Very low | 36.9 | Very low | 157 Ų | 157 | 153.5 Ų | 153.5 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -90.5 | 116.3 | 173 | 178.3 | 136.7 | 0 | 0 | 0 | 108.5 | ||||
| 39 | Q | 33.9 | Very low | 37 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -164 | 107.2 | 173 | -126.3 | -176.8 | -75.2 | 0 | 0 | 105.2 | ||||
| 40 | Q | 33.2 | Very low | 37.2 | Very low | 139 Ų | 139 | 154.4 Ų | 154.4 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | cis | 60.6 | 91.8 | 41.6 | -149.7 | 177.8 | 25.2 | 0 | 0 | 112.7 | F42 | Q40-F42 HydrophobicContact CG-CE2 4.21Š| ||
| 41 | N | 32.3 | Very low | 37.5 | Very low | 145 Ų | 145 | 152.3 Ų | 152.3 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | -146.9 | 130.9 | 155.5 | -97.1 | -38.6 | 0 | 0 | 0 | 109.3 | ||||
| 42 | F | 31.4 | Very low | 37.3 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -82.8 | 150.8 | 179.6 | -68 | -108.6 | 0 | 0 | 0 | 109.7 | Q40 | Q40-F42 HydrophobicContact CG-CE2 4.21Š| ||
| 43 | S | 39.4 | Very low | 37.5 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | 141.2 | 170.7 | 92.8 | 58.1 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 44 | P | 47.5 | Very low | 37.8 | Very low | 100 Ų | 100 | 151.7 Ų | 151.7 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | cis | -145.2 | 179.3 | -47 | 41.8 | -25.7 | 0 | 0 | 0 | 116.6 | ||||
| 45 | F | 39.8 | Very low | 38.8 | Very low | 201 Ų | 201 | 148.2 Ų | 148.2 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | 78 | 147.2 | 155.7 | -80.8 | -78.3 | 0 | 0 | 0 | 122.2 | ||||
| 46 | P | 53.4 | Low | 39 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -123.7 | -176.4 | -172.5 | 44.2 | -29.2 | 0 | 0 | 0 | 114.5 | ||||
| 47 | R | 47.6 | Very low | 39.3 | Very low | 243 Ų | 243 | 147.5 Ų | 147.5 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | trans | -164.6 | 160.7 | 135.9 | -108.9 | -178 | -139.6 | -100.3 | -1.9 | 113.4 | ||||
| 48 | P | 51.4 | Low | 39.5 | Very low | 105 Ų | 105 | 149 Ų | 149 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | trans | -112 | 172.3 | -173.6 | 42.4 | -33.9 | 0 | 0 | 0 | 114 | ||||
| 49 | W | 37.4 | Very low | 39.4 | Very low | 237 Ų | 237 | 145.9 Ų | 145.9 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | trans | -158.2 | 108.4 | 151 | -112.3 | 76.5 | 0 | 0 | 0 | 106.5 | ||||
| 50 | L | 37.3 | Very low | 40 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | 71 | 111.8 | 81 | -87.5 | 165.8 | 0 | 0 | 0 | 116.5 | |||||
| 51 | S | 38.3 | Very low | 40.4 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 63.2 | 148.6 | 146.5 | -91.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 52 | S | 32.8 | Very low | 41 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | cis | -156.3 | -172.6 | -4.5 | 59.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 53 | S | 36.5 | Very low | 41.4 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -156.9 | -167.2 | 6.8 | -158.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 54 | F | 36.8 | Very low | 41.6 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -116.7 | -168.9 | 170.7 | -61.8 | -88.7 | 0 | 0 | 0 | 110.4 | ||||
| 55 | P | 55 | Low | 41.3 | Very low | 115 Ų | 115 | 156.5 Ų | 156.5 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | -125.5 | 167.2 | -63.9 | 35.8 | -22 | 0 | 0 | 0 | 112.3 | |||||
| 56 | V | 36 | Very low | 41.9 | Very low | 158 Ų | 158 | 153.4 Ų | 153.4 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | trans | -137.1 | 151.1 | 167 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 57 | Y | 36.7 | Very low | 41.7 | Very low | 188 Ų | 188 | 152.7 Ų | 152.7 | 74% | 0.737 | 79% | 0.794 | S | S | * | * | trans | -118.1 | 158 | -161.8 | 159.6 | -104.2 | 0 | 0 | 0 | 112.1 | ||||
| 58 | M | 36.1 | Very low | 41.5 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 70% | 0.704 | 79% | 0.788 | S | S | * | * | trans | 65.2 | 159.4 | 174.6 | -81.4 | -170.5 | 147.9 | 0 | 0 | 118.1 | ||||
| 59 | S | 35.6 | Very low | 40.9 | Very low | 93 Ų | 93 | 147.1 Ų | 147.1 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | cis | -165 | 157.4 | -26.6 | 57.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 60 | K | 44.7 | Very low | 41.3 | Very low | 199 Ų | 199 | 140.9 Ų | 140.9 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | 17.9 | 118.2 | 159.4 | -79.4 | -177.6 | 171.7 | 178.9 | 0 | 119.1 | ||||
| 61 | T | 42.1 | Very low | 41.7 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | -160.6 | 99.4 | 119 | 27.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 62 | Q | 45.6 | Very low | 42 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -87.4 | 116.5 | 169.8 | -113.5 | 170.1 | -22.6 | 0 | 0 | 108.9 | Y64 | Q62-Y64 PolarHBondContact O-N 3.16Š| ||
| 63 | C | 40.4 | Very low | 42.6 | Very low | 110 Ų | 110 | 151.9 Ų | 151.9 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -69.9 | 123.5 | 177.7 | -68.9 | 0 | 0 | 0 | 0 | 111 | H65 | C63-H65 PolarHBondContact O-N 3.09Å; C63-H65 VanDerWaalsContact O-N 3.08Å | ||
| 64 | Y | 43.5 | Very low | 42.9 | Very low | 224 Ų | 224 | 155 Ų | 155 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | trans | -72.6 | 96.1 | 171.8 | -67.5 | -89.4 | 0 | 0 | 0 | 110.3 | Q62 T66 | Q62-Y64 PolarHBondContact O-N 3.16Å; Y64-T66 PolarHBondContact O-N 3.46Å | ||
| 65 | H | 41.3 | Very low | 43.2 | Very low | 178 Ų | 178 | 155.1 Ų | 155.1 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -86.4 | 98.3 | 163.4 | -87.5 | -83 | 0 | 0 | 0 | 110 | C63 S67 | C63-H65 PolarHBondContact O-N 3.09Å; C63-H65 VanDerWaalsContact O-N 3.08Å; H65-S67 PolarHBondContact O-N 3Å | ||
| 66 | T | 50.5 | Low | 42.6 | Very low | 135 Ų | 135 | 158.5 Ų | 158.5 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | trans | -73.5 | 89.8 | 169.6 | 43.7 | 0 | 0 | 0 | 0 | 110.3 | Y64 | Y64-T66 PolarHBondContact O-N 3.46Š| ||
| 67 | S | 50.5 | Low | 42.9 | Very low | 94 Ų | 94 | 155.2 Ų | 155.2 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | trans | -76.3 | 128 | 166.2 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | H65 C69 | H65-S67 PolarHBondContact O-N 3Å; S67-C69 PolarHBondContact O-N 3.4Å; S67-C69 VanDerWaalsContact O-N 3.07Å | ||
| 68 | P | 43.4 | Very low | 43.5 | Very low | 120 Ų | 120 | 153.8 Ų | 153.8 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -74 | 100.5 | 174 | 29.8 | -32 | 0 | 0 | 0 | 109.5 | S70 | P68-S70 PolarHBondContact O-N 2.93Š| ||
| 69 | C | 39.1 | Very low | 44 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -60.9 | 99.7 | 171.3 | -70.3 | 0 | 0 | 0 | 0 | 110.1 | S67 F71 | S67-C69 PolarHBondContact O-N 3.4Å; S67-C69 VanDerWaalsContact O-N 3.07Å; C69-F71 PolarHBondContact O-N 3.35Å; C69-F71 VanDerWaalsContact O-N 3.1Å | ||
| 70 | S | 45 | Very low | 44.6 | Very low | 106 Ų | 106 | 152.6 Ų | 152.6 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -60.4 | 115.3 | 168.9 | 61.5 | 0 | 0 | 0 | 0 | 108.5 | P68 K72 | P68-S70 PolarHBondContact O-N 2.93Å; S70-K72 PolarHBondContact O-N 3.19Å | ||
| 71 | F | 45.1 | Very low | 44.9 | Very low | 203 Ų | 203 | 154.6 Ų | 154.6 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -67.4 | 78.6 | 169.4 | -90 | -92.8 | 0 | 0 | 0 | 109.3 | C69 K73 | C69-F71 PolarHBondContact O-N 3.35Å; C69-F71 VanDerWaalsContact O-N 3.1Å; F71-K73 VanDerWaalsContact C-N 3.26Å; F71-K73 PolarHBondContact O-N 3.15Å | ||
| 72 | K | 44.8 | Very low | 45.4 | Very low | 190 Ų | 190 | 152.8 Ų | 152.8 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -66.5 | 95.8 | 165 | -165.3 | 175.3 | -172.7 | 179.8 | 0 | 105.6 | S70 E74 | S70-K72 PolarHBondContact O-N 3.19Å; K72-E74 PolarHBondContact O-N 3Å | ||
| 73 | K | 46.9 | Very low | 46.1 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | trans | -61.6 | 88.4 | -179.6 | -166.7 | 173.4 | -172.9 | 174.4 | 0 | 108 | F71 K75 | F71-K73 VanDerWaalsContact C-N 3.26Å; F71-K73 PolarHBondContact O-N 3.15Å; K73-K75 PolarHBondContact O-N 3.29Å | ||
| 74 | E | 42.7 | Very low | 47.4 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -56.7 | 112.7 | 175.7 | -169.6 | 172.3 | 140.7 | 0 | 0 | 106.4 | K72 Q76 | K72-E74 PolarHBondContact O-N 3Å; E74-Q76 VanDerWaalsContact C-N 3.32Å; E74-Q76 PolarHBondContact O-N 2.99Å | ||
| 75 | K | 41.8 | Very low | 48.7 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | trans | -62.5 | 106 | 168.8 | -71.7 | -177.6 | 178.4 | -179.3 | 0 | 104.5 | K73 A77 | K73-K75 PolarHBondContact O-N 3.29Å; K75-A77 PolarHBondContact O-N 3.45Å | ||
| 76 | Q | 42.2 | Very low | 50.3 | Low | 187 Ų | 187 | 134.5 Ų | 134.5 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | -55.4 | 94.8 | 163.8 | -79.1 | 176.6 | -36.5 | 0 | 0 | 106.6 | E74 L78 | E74-Q76 VanDerWaalsContact C-N 3.32Å; E74-Q76 PolarHBondContact O-N 2.99Å; Q76-L78 PolarHBondContact O-N 3.31Å; Q76-L78 VanDerWaalsContact O-N 3.1Å | ||
| 77 | A | 43.2 | Very low | 51.6 | Low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | -60.3 | 115.3 | 163 | 0 | 0 | 0 | 0 | 0 | 104.8 | K75 | K75-A77 PolarHBondContact O-N 3.45Š| ||
| 78 | L | 49.2 | Very low | 53.1 | Low | 158 Ų | 158 | 129.9 Ų | 129.9 | 83% | 0.827 | 70% | 0.7 | S | S | * | * | trans | -39.8 | 127.1 | 165 | -88.5 | 152.5 | 0 | 0 | 0 | 107.7 | Q76 A80 | Q76-L78 PolarHBondContact O-N 3.31Å; Q76-L78 VanDerWaalsContact O-N 3.1Å; L78-A80 PolarHBondContact O-N 2.97Å | ||
| 79 | P | 46.8 | Very low | 54.9 | Low | 115 Ų | 115 | 125.5 Ų | 125.5 | 75% | 0.747 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 121.7 | -178.9 | 22.3 | -32.5 | 0 | 0 | 0 | 107.4 | R81 | P79-R81 PolarHBondContact O-N 3.29Š|
| 80 | A | 48.6 | Very low | 57 | Low | 95 Ų | 95 | 125.9 Ų | 125.9 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 116.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | L78 S82 | L78-A80 PolarHBondContact O-N 2.97Å; A80-S82 PolarHBondContact O-N 2.93Å |
| 81 | R | 50.8 | Low | 59 | Low | 242 Ų | 242 | 125.8 Ų | 125.8 | 91% | 0.913 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 116.9 | -171.7 | -175.9 | 176.7 | -170.8 | 156.4 | 1.6 | 107.8 | P79 P83 | P79-R81 PolarHBondContact O-N 3.29Å; R81-P83 VanDerWaalsContact O-N 3.13Å |
| 82 | S | 52.5 | Low | 61 | Low | 102 Ų | 102 | 116.6 Ų | 116.6 | 71% | 0.713 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 125.7 | -172.2 | 45.6 | 0 | 0 | 0 | 0 | 108.6 | A80 S84 | A80-S82 PolarHBondContact O-N 2.93Å; S82-S84 PolarHBondContact O-N 3.04Å |
| 83 | P | 59.8 | Low | 63.3 | Low | 74 Ų | 74 | 110.4 Ų | 110.4 | 48% | 0.481 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 119.1 | -175.5 | 21.1 | -33 | 0 | 0 | 0 | 107.6 | R81 Y88 | R81-P83 VanDerWaalsContact O-N 3.13Å; P83-Y88 HydrophobicContact CB-CE2 4.26Å; P83-Y88 HydrophobicContact CG-CE2 4.16Å; P83-Y88 WeakPolarHBondContact CG-OH 3.44Å |
| 84 | S | 67.8 | Low | 65.4 | Low | 73 Ų | 73 | 108.4 Ų | 108.4 | 51% | 0.51 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 146.8 | -178.2 | 61.9 | 0 | 0 | 0 | 0 | 108.4 | S82 I86 S87 | S82-S84 PolarHBondContact O-N 3.04Å; S84-I86 PolarHBondContact O-N 3.02Å; S84-S87 VanDerWaalsContact O-CB 3.3Å; S84-S87 WeakPolarHBondContact O-CB 3.33Å; S84-S87 PolarHBondContact O-N 2.92Å |
| 85 | T | 70.1 | Confident | 67.9 | Low | 56 Ų | 56 | 104.5 Ų | 104.5 | 34% | 0.344 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -47.7 | -33.8 | -179.6 | -53.1 | 0 | 0 | 0 | 0 | 112.3 | S87 Y88 A212 V215 | T85-S87 VanDerWaalsContact C-N 3.31Å; T85-S87 PolarHBondContact O-N 3.04Å; T85-Y88 PolarHBondContact O-N 3.27Å; T85-A212 HydrophobicContact CG2-CB 3.64Å; T85-A212 WeakPolarHBondContact O-CB 3.5Å; T85-V215 HydrophobicContact CG2-CG1 4.46Å |
| 86 | I | 75.9 | Confident | 70.2 | Confident | 116 Ų | 116 | 96.8 Ų | 96.8 | 60% | 0.595 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -58.8 | -35.4 | 177.1 | -53.3 | 174.6 | 0 | 0 | 0 | 112.9 | S84 Y88 I89 | S84-I86 PolarHBondContact O-N 3.02Å; I86-Y88 VanDerWaalsContact C-N 3.26Å; I86-Y88 PolarHBondContact O-N 3.26Å; I86-I89 HydrophobicContact CG2-CD1 4.39Å; I86-I89 VanDerWaalsContact O-CB 3.32Å; I86-I89 WeakPolarHBondContact O-CB 3.46Å; I86-I89 WeakPolarHBondContact O-CG1 3.28Å; I86-I89 PolarHBondContact O-N 3.31Å; I86-I89 VanDerWaalsContact O-N 3.1Å |
| 87 | S | 77.3 | Confident | 72.6 | Confident | 61 Ų | 61 | 89.8 Ų | 89.8 | 43% | 0.427 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -58.7 | -37.9 | -179.3 | -165 | 0 | 0 | 0 | 0 | 112.2 | S84 T85 I89 T90 | S84-S87 VanDerWaalsContact O-CB 3.3Å; S84-S87 WeakPolarHBondContact O-CB 3.33Å; S84-S87 PolarHBondContact O-N 2.92Å; T85-S87 VanDerWaalsContact C-N 3.31Å; T85-S87 PolarHBondContact O-N 3.04Å; S87-I89 PolarHBondContact O-N 3.21Å; S87-T90 PolarHBondContact O-N 3.44Å; S87-T90 PolarHBondContact O-OG1 3.43Å |
| 88 | Y | 81.1 | Confident | 75 | Confident | 70 Ų | 70 | 92.8 Ų | 92.8 | 28% | 0.275 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -72.5 | -6.5 | -178.8 | -61.7 | -70.4 | 0 | 0 | 0 | 114 | P83 T85 I86 T90 D91 N208 W209 | P83-Y88 HydrophobicContact CB-CE2 4.26Å; P83-Y88 HydrophobicContact CG-CE2 4.16Å; P83-Y88 WeakPolarHBondContact CG-OH 3.44Å; T85-Y88 PolarHBondContact O-N 3.27Å; I86-Y88 VanDerWaalsContact C-N 3.26Å; I86-Y88 PolarHBondContact O-N 3.26Å; Y88-T90 VanDerWaalsContact C-N 3.33Å; Y88-D91 PolarHBondContact O-N 3.04Å; Y88-N208 HydrophobicContact CD1-CB 3.86Å; Y88-N208 HydrophobicContact CD2-CB 4.3Å; Y88-N208 HydrophobicContact CE1-CB 4.21Å; Y88-N208 HydrophobicContact CG-CB 3.89Å; Y88-W209 VanDerWaalsContact O-CA 3.32Å; Y88-W209 WeakPolarHBondContact O-CA 3.27Å; Y88-W209 VanDerWaalsContact O-CB 3.23Å; Y88-W209 WeakPolarHBondContact O-CB 3.27Å |
| 89 | I | 82.8 | Confident | 77.2 | Confident | 28 Ų | 28 | 90.4 Ų | 90.4 | 14% | 0.144 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -73.3 | -29.6 | 177.5 | -58.1 | 175.9 | 0 | 0 | 0 | 110.5 | I86 S87 D91 S92 L97 A212 V216 | I86-I89 HydrophobicContact CG2-CD1 4.39Å; I86-I89 VanDerWaalsContact O-CB 3.32Å; I86-I89 WeakPolarHBondContact O-CB 3.46Å; I86-I89 WeakPolarHBondContact O-CG1 3.28Å; I86-I89 PolarHBondContact O-N 3.31Å; I86-I89 VanDerWaalsContact O-N 3.1Å; S87-I89 PolarHBondContact O-N 3.21Å; I89-D91 PolarHBondContact O-N 3.19Å; I89-S92 WeakPolarHBondContact O-CB 3.4Å; I89-S92 PolarHBondContact O-N 3.07Å; I89-S92 VanDerWaalsContact O-N 3.15Å; I89-L97 HydrophobicContact CG2-CD1 4.15Å; I89-A212 HydrophobicContact CG1-CB 3.81Å; I89-V216 HydrophobicContact CD1-CB 4.07Å; I89-V216 HydrophobicContact CD1-CG1 4.37Å; I89-V216 HydrophobicContact CD1-CG2 3.57Å |
| 90 | T | 83.2 | Confident | 79.4 | Confident | 118 Ų | 118 | 86.9 Ų | 86.9 | 72% | 0.724 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -22.7 | 176.4 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | S87 Y88 S92 | S87-T90 PolarHBondContact O-N 3.44Å; S87-T90 PolarHBondContact O-OG1 3.43Å; Y88-T90 VanDerWaalsContact C-N 3.33Å; T90-S92 VanDerWaalsContact C-N 3.25Å; T90-S92 PolarHBondContact O-N 3.05Å |
| 91 | D | 86.8 | Confident | 81.5 | Confident | 104 Ų | 104 | 86.7 Ų | 86.7 | 56% | 0.556 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -5.1 | 175.2 | -52 | -38.5 | 0 | 0 | 0 | 112.7 | Y88 I89 W209 | Y88-D91 PolarHBondContact O-N 3.04Å; I89-D91 PolarHBondContact O-N 3.19Å; D91-W209 HydrophobicContact CB-CB 4.44Å |
| 92 | S | 87.1 | Confident | 83.6 | Confident | 10 Ų | 10 | 77.9 Ų | 77.9 | 7% | 0.07 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -69.3 | 139.8 | -177.8 | -174.1 | 0 | 0 | 0 | 0 | 112 | I89 T90 K94 | I89-S92 WeakPolarHBondContact O-CB 3.4Å; I89-S92 PolarHBondContact O-N 3.07Å; I89-S92 VanDerWaalsContact O-N 3.15Å; T90-S92 VanDerWaalsContact C-N 3.25Å; T90-S92 PolarHBondContact O-N 3.05Å; S92-K94 PolarHBondContact O-N 2.6Å; S92-K94 VanDerWaalsContact O-N 3.14Å |
| 93 | P | 92.8 | Very high | 85.6 | Confident | 60 Ų | 60 | 74 Ų | 74 | 39% | 0.39 | 42% | 0.423 | S | S | . | . | trans | -54.6 | 121.4 | 169.7 | -24.5 | 34.1 | 0 | 0 | 0 | 111.1 | P95 A96 L97 W209 | P93-P95 VanDerWaalsContact C-CD 3.42Å; P93-P95 VanDerWaalsContact C-N 3.34Å; P93-P95 HydrophobicContact CB-CG 4.49Å; P93-P95 VanDerWaalsContact O-N 3.11Å; P93-A96 HydrophobicContact CB-CB 4.32Å; P93-A96 WeakPolarHBondContact O-CA 3.46Å; P93-A96 WeakPolarHBondContact O-CB 3.37Å; P93-A96 PolarHBondContact O-N 3.06Å; P93-L97 PolarHBondContact O-N 2.83Å; P93-L97 VanDerWaalsContact O-N 3.08Å; P93-W209 HydrophobicContact CG-CH2 4.3Å; P93-W209 HydrophobicContact CG-CZ2 4.21Å | ||
| 94 | K | 91.6 | Very high | 87.3 | Confident | 155 Ų | 155 | 71.3 Ų | 71.3 | 67% | 0.674 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -39.8 | -49.2 | 178.8 | -63.9 | -177.7 | -178 | 178.9 | 0 | 114.8 | S92 A96 L97 Y98 | S92-K94 PolarHBondContact O-N 2.6Å; S92-K94 VanDerWaalsContact O-N 3.14Å; K94-A96 PolarHBondContact O-N 2.84Å; K94-L97 PolarHBondContact O-N 3.35Å; K94-Y98 HydrophobicContact CB-CD2 4.4Å; K94-Y98 HydrophobicContact CB-CE2 4.01Å; K94-Y98 WeakPolarHBondContact O-CD2 3.08Å; K94-Y98 PolarHBondContact O-N 3.18Å |
| 95 | P | 93.8 | Very high | 88.7 | Confident | 89 Ų | 89 | 73 Ų | 73 | 58% | 0.578 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.4 | -39.1 | 178.3 | 24.5 | -35 | 0 | 0 | 0 | 113.4 | P93 L97 Y98 V99 | P93-P95 VanDerWaalsContact C-CD 3.42Å; P93-P95 VanDerWaalsContact C-N 3.34Å; P93-P95 HydrophobicContact CB-CG 4.49Å; P93-P95 VanDerWaalsContact O-N 3.11Å; P95-L97 VanDerWaalsContact C-N 3.34Å; P95-L97 PolarHBondContact O-N 3.39Å; P95-Y98 PolarHBondContact O-N 2.79Å; P95-V99 WeakPolarHBondContact O-CB 3.48Å; P95-V99 VanDerWaalsContact O-CG2 3.28Å; P95-V99 WeakPolarHBondContact O-CG2 3.49Å; P95-V99 PolarHBondContact O-N 3.37Å |
| 96 | A | 91.2 | Very high | 90 | Very high | 30 Ų | 30 | 72.7 Ų | 72.7 | 25% | 0.248 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P93 K94 T100 W209 | P93-A96 HydrophobicContact CB-CB 4.32Å; P93-A96 WeakPolarHBondContact O-CA 3.46Å; P93-A96 WeakPolarHBondContact O-CB 3.37Å; P93-A96 PolarHBondContact O-N 3.06Å; K94-A96 PolarHBondContact O-N 2.84Å; A96-T100 WeakPolarHBondContact O-CB 3.1Å; A96-T100 PolarHBondContact O-N 3.45Å; A96-T100 VanDerWaalsContact O-N 3.09Å; A96-T100 PolarHBondContact O-OG1 3.4Å; A96-W209 HydrophobicContact CB-CZ3 4.18Å |
| 97 | L | 92.5 | Very high | 91 | Very high | 40 Ų | 40 | 67.2 Ų | 67.2 | 21% | 0.209 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.7 | -52.8 | 174.7 | -173.2 | 155.9 | 0 | 0 | 0 | 111.3 | I89 P93 K94 P95 T100 L101 | I89-L97 HydrophobicContact CG2-CD1 4.15Å; P93-L97 PolarHBondContact O-N 2.83Å; P93-L97 VanDerWaalsContact O-N 3.08Å; K94-L97 PolarHBondContact O-N 3.35Å; P95-L97 VanDerWaalsContact C-N 3.34Å; P95-L97 PolarHBondContact O-N 3.39Å; L97-T100 PolarHBondContact O-N 2.89Å; L97-L101 HydrophobicContact CD2-CD1 3.55Å; L97-L101 HydrophobicContact CD2-CG 4.2Å; L97-L101 HydrophobicContact CG-CD1 4.48Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 3.26Å |
| 98 | Y | 94 | Very high | 91.9 | Very high | 153 Ų | 153 | 67.1 Ų | 67.1 | 60% | 0.6 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | -177.7 | -66.7 | -51 | 0 | 0 | 0 | 113.3 | K94 P95 T100 L101 A102 | K94-Y98 HydrophobicContact CB-CD2 4.4Å; K94-Y98 HydrophobicContact CB-CE2 4.01Å; K94-Y98 WeakPolarHBondContact O-CD2 3.08Å; K94-Y98 PolarHBondContact O-N 3.18Å; P95-Y98 PolarHBondContact O-N 2.79Å; Y98-T100 VanDerWaalsContact C-N 3.28Å; Y98-T100 PolarHBondContact O-N 3.04Å; Y98-L101 PolarHBondContact O-N 3.38Å; Y98-A102 WeakPolarHBondContact O-CB 3.42Å; Y98-A102 PolarHBondContact O-N 3.48Å |
| 99 | V | 94.6 | Very high | 92.7 | Very high | 108 Ų | 108 | 65.8 Ų | 65.8 | 66% | 0.655 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.1 | -39.4 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | P95 A102 G103 | P95-V99 WeakPolarHBondContact O-CB 3.48Å; P95-V99 VanDerWaalsContact O-CG2 3.28Å; P95-V99 WeakPolarHBondContact O-CG2 3.49Å; P95-V99 PolarHBondContact O-N 3.37Å; V99-A102 PolarHBondContact O-N 2.96Å; V99-G103 PolarHBondContact O-N 2.88Å |
| 100 | T | 92.8 | Very high | 93.4 | Very high | 41 Ų | 41 | 64.9 Ų | 64.9 | 25% | 0.252 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70 | -39.5 | 179.4 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | A96 L97 Y98 G103 L104 L213 V217 | A96-T100 WeakPolarHBondContact O-CB 3.1Å; A96-T100 PolarHBondContact O-N 3.45Å; A96-T100 VanDerWaalsContact O-N 3.09Å; A96-T100 PolarHBondContact O-OG1 3.4Å; L97-T100 PolarHBondContact O-N 2.89Å; Y98-T100 VanDerWaalsContact C-N 3.28Å; Y98-T100 PolarHBondContact O-N 3.04Å; T100-G103 PolarHBondContact O-N 3.02Å; T100-L104 PolarHBondContact O-N 3.46Å; T100-L213 HydrophobicContact CG2-CD1 3.81Å; T100-L213 HydrophobicContact CG2-CD2 4.18Å; T100-L213 HydrophobicContact CG2-CG 3.9Å; T100-V217 HydrophobicContact CG2-CG2 3.24Å |
| 101 | L | 92.6 | Very high | 94 | Very high | 91 Ų | 91 | 59.6 Ų | 59.6 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 173.5 | -70.2 | -177.2 | 0 | 0 | 0 | 112.4 | L97 Y98 G103 L104 | L97-L101 HydrophobicContact CD2-CD1 3.55Å; L97-L101 HydrophobicContact CD2-CG 4.2Å; L97-L101 HydrophobicContact CG-CD1 4.48Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 3.26Å; Y98-L101 PolarHBondContact O-N 3.38Å; L101-G103 VanDerWaalsContact C-N 3.25Å; L101-G103 PolarHBondContact O-N 2.97Å; L101-L104 WeakPolarHBondContact O-CB 3.3Å; L101-L104 PolarHBondContact O-N 3.5Å |
| 102 | A | 94.9 | Very high | 94.5 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y98 V99 L104 I105 | Y98-A102 WeakPolarHBondContact O-CB 3.42Å; Y98-A102 PolarHBondContact O-N 3.48Å; V99-A102 PolarHBondContact O-N 2.96Å; A102-L104 PolarHBondContact O-N 3.45Å; A102-I105 WeakPolarHBondContact O-CB 3.42Å; A102-I105 WeakPolarHBondContact O-CD1 3.43Å; A102-I105 VanDerWaalsContact O-CG1 3.3Å; A102-I105 WeakPolarHBondContact O-CG1 3.27Å; A102-I105 PolarHBondContact O-N 3.43Å; A102-I105 VanDerWaalsContact O-N 3.15Å |
| 103 | G | 94.7 | Very high | 94.9 | Very high | 21 Ų | 21 | 61.4 Ų | 61.4 | 22% | 0.216 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -13 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V99 T100 L101 Y131 | V99-G103 PolarHBondContact O-N 2.88Å; T100-G103 PolarHBondContact O-N 3.02Å; L101-G103 VanDerWaalsContact C-N 3.25Å; L101-G103 PolarHBondContact O-N 2.97Å; G103-Y131 WeakPolarHBondContact O-CE1 3.43Å; G103-Y131 PolarHBondContact O-OH 3.37Å |
| 104 | L | 95.9 | Very high | 95 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.089 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -17.3 | 173 | -101.6 | 67.9 | 0 | 0 | 0 | 113.8 | T100 L101 A102 F107 V108 V217 L220 | T100-L104 PolarHBondContact O-N 3.46Å; L101-L104 WeakPolarHBondContact O-CB 3.3Å; L101-L104 PolarHBondContact O-N 3.5Å; A102-L104 PolarHBondContact O-N 3.45Å; L104-F107 WeakPolarHBondContact O-CB 3.4Å; L104-F107 PolarHBondContact O-N 3.22Å; L104-V108 PolarHBondContact O-N 3.41Å; L104-V217 HydrophobicContact CD1-CB 4.16Å; L104-V217 HydrophobicContact CD1-CG1 3.77Å; L104-V217 HydrophobicContact CD1-CG2 3.82Å; L104-L220 HydrophobicContact CD2-CB 3.71Å; L104-L220 HydrophobicContact CD2-CD1 3.65Å; L104-L220 HydrophobicContact CD2-CD2 4.32Å; L104-L220 HydrophobicContact CD2-CG 4.09Å |
| 105 | I | 96.9 | Very high | 95.2 | Very high | 110 Ų | 110 | 55.5 Ų | 55.5 | 56% | 0.564 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.4 | -46.6 | -173.5 | -63.7 | 168.4 | 0 | 0 | 0 | 112.2 | A102 F107 V108 A109 | A102-I105 WeakPolarHBondContact O-CB 3.42Å; A102-I105 WeakPolarHBondContact O-CD1 3.43Å; A102-I105 VanDerWaalsContact O-CG1 3.3Å; A102-I105 WeakPolarHBondContact O-CG1 3.27Å; A102-I105 PolarHBondContact O-N 3.43Å; A102-I105 VanDerWaalsContact O-N 3.15Å; I105-F107 PolarHBondContact O-N 2.99Å; I105-V108 PolarHBondContact O-N 3.41Å; I105-A109 HydrophobicContact CG2-CB 4.45Å; I105-A109 VanDerWaalsContact O-CB 3.28Å; I105-A109 WeakPolarHBondContact O-CB 3.43Å; I105-A109 PolarHBondContact O-N 3.22Å |
| 106 | P | 96.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 31% | 0.312 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.2 | -12.3 | -179.5 | -14 | 30.9 | 0 | 0 | 0 | 113.9 | P110 Y131 | P106-P110 VanDerWaalsContact O-CD 3.3Å; P106-P110 WeakPolarHBondContact O-CD 3.48Å; P106-P110 WeakPolarHBondContact O-CG 3.45Å; P106-Y131 HydrophobicContact CB-CD1 3.64Å; P106-Y131 HydrophobicContact CB-CD2 4.03Å; P106-Y131 HydrophobicContact CB-CE1 3.91Å; P106-Y131 HydrophobicContact CB-CE2 4.3Å; P106-Y131 HydrophobicContact CB-CG 3.7Å; P106-Y131 HydrophobicContact CG-CD1 4.14Å; P106-Y131 HydrophobicContact CG-CD2 4.15Å; P106-Y131 HydrophobicContact CG-CE1 3.9Å; P106-Y131 HydrophobicContact CG-CE2 3.94Å; P106-Y131 HydrophobicContact CG-CG 4.26Å |
| 107 | F | 97 | Very high | 95.4 | Very high | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -81 | -47.8 | 167 | -68.4 | -61.2 | 0 | 0 | 0 | 111.7 | L104 I105 P111 Y131 F135 M192 A221 S224 F225 | L104-F107 WeakPolarHBondContact O-CB 3.4Å; L104-F107 PolarHBondContact O-N 3.22Å; I105-F107 PolarHBondContact O-N 2.99Å; F107-P111 WeakPolarHBondContact O-CD 3.39Å; F107-P111 WeakPolarHBondContact O-CG 3.3Å; F107-Y131 HydrophobicContact CD1-CD1 4.09Å; F107-Y131 HydrophobicContact CD2-CD1 4.08Å; F107-Y131 AromaticContact CD2-CE1 3.77Å; F107-Y131 HydrophobicContact CD2-CE1 3.77Å; F107-Y131 AromaticContact CE1-CD1 3.8Å; F107-Y131 HydrophobicContact CE1-CD1 3.8Å; F107-Y131 HydrophobicContact CE1-CE1 4.31Å; F107-Y131 AromaticContact CE2-CD1 3.81Å; F107-Y131 HydrophobicContact CE2-CD1 3.81Å; F107-Y131 AromaticContact CE2-CE1 3.45Å; F107-Y131 HydrophobicContact CE2-CE1 3.45Å; F107-Y131 VanDerWaalsContact CE2-CE1 3.45Å; F107-Y131 HydrophobicContact CG-CD1 4.21Å; F107-Y131 HydrophobicContact CG-CE1 4.33Å; F107-Y131 AromaticContact CZ-CD1 3.65Å; F107-Y131 HydrophobicContact CZ-CD1 3.65Å; F107-Y131 AromaticContact CZ-CE1 3.74Å; F107-Y131 HydrophobicContact CZ-CE1 3.74Å; F107-F135 HydrophobicContact CE2-CD1 4.42Å; F107-F135 HydrophobicContact CE2-CD2 4.42Å; F107-F135 HydrophobicContact CE2-CG 4.23Å; F107-F135 HydrophobicContact CZ-CB 3.85Å; F107-F135 AromaticContact CZ-CD1 4Å; F107-F135 HydrophobicContact CZ-CD1 4Å; F107-F135 HydrophobicContact CZ-CD2 4.49Å; F107-F135 AromaticContact CZ-CG 3.87Å; F107-F135 HydrophobicContact CZ-CG 3.87Å; F107-M192 HydrophobicContact CE1-CE 3.78Å; F107-M192 HydrophobicContact CZ-CE 3.72Å; F107-A221 HydrophobicContact CD1-CB 3.83Å; F107-A221 HydrophobicContact CD2-CB 3.83Å; F107-A221 HydrophobicContact CE1-CB 3.82Å; F107-A221 HydrophobicContact CE2-CB 3.82Å; F107-A221 HydrophobicContact CG-CB 3.84Å; F107-A221 HydrophobicContact CZ-CB 3.83Å; F107-S224 WeakPolarHBondContact O-CB 3.37Å; F107-S224 PolarHBondContact O-OG 2.87Å; F107-F225 AromaticContact CD1-CE2 3.94Å; F107-F225 HydrophobicContact CD1-CE2 3.94Å; F107-F225 HydrophobicContact CD1-CZ 4.38Å; F107-F225 AromaticContact CE1-CE2 3.74Å; F107-F225 HydrophobicContact CE1-CE2 3.74Å; F107-F225 HydrophobicContact CE1-CZ 4.25Å |
| 108 | V | 97.4 | Very high | 95.3 | Very high | 60 Ų | 60 | 65.2 Ų | 65.2 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -84.9 | -35 | -168.7 | -179 | 0 | 0 | 0 | 0 | 112.6 | L104 I105 P111 L112 | L104-V108 PolarHBondContact O-N 3.41Å; I105-V108 PolarHBondContact O-N 3.41Å; V108-P111 WeakPolarHBondContact O-CD 3.37Å; V108-P111 WeakPolarHBondContact O-CG 3.46Å; V108-L112 VanDerWaalsContact O-CB 3.27Å; V108-L112 WeakPolarHBondContact O-CB 3.14Å; V108-L112 PolarHBondContact O-N 3.09Å |
| 109 | A | 97.3 | Very high | 95.2 | Very high | 41 Ų | 41 | 61.4 Ų | 61.4 | 34% | 0.339 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I105 L112 V113 | I105-A109 HydrophobicContact CG2-CB 4.45Å; I105-A109 VanDerWaalsContact O-CB 3.28Å; I105-A109 WeakPolarHBondContact O-CB 3.43Å; I105-A109 PolarHBondContact O-N 3.22Å; A109-L112 PolarHBondContact O-N 3.41Å; A109-V113 WeakPolarHBondContact O-CG2 3.23Å; A109-V113 PolarHBondContact O-N 3.14Å |
| 110 | P | 97 | Very high | 95.2 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.8 | -54 | 179.4 | -27.7 | 38.7 | 0 | 0 | 0 | 115.3 | P106 L112 V113 M114 L124 Q128 | P106-P110 VanDerWaalsContact O-CD 3.3Å; P106-P110 WeakPolarHBondContact O-CD 3.48Å; P106-P110 WeakPolarHBondContact O-CG 3.45Å; P110-L112 VanDerWaalsContact C-N 3.32Å; P110-L112 PolarHBondContact O-N 3.41Å; P110-V113 PolarHBondContact O-N 2.9Å; P110-M114 HydrophobicContact CB-CE 4.22Å; P110-M114 VanDerWaalsContact O-CE 3.31Å; P110-M114 WeakPolarHBondContact O-CE 3.15Å; P110-M114 WeakPolarHBondContact O-CG 3.47Å; P110-M114 PolarHBondContact O-N 2.86Å; P110-M114 VanDerWaalsContact O-N 3.09Å; P110-L124 HydrophobicContact CB-CB 4.14Å; P110-Q128 HydrophobicContact CB-CB 3.97Å; P110-Q128 HydrophobicContact CB-CG 4.25Å; P110-Q128 HydrophobicContact CG-CB 3.91Å; P110-Q128 HydrophobicContact CG-CG 4.21Å |
| 111 | P | 96.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 5% | 0.045 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 176.9 | 22 | -30.5 | 0 | 0 | 0 | 112.6 | F107 V108 M114 L115 T227 T228 | F107-P111 WeakPolarHBondContact O-CD 3.39Å; F107-P111 WeakPolarHBondContact O-CG 3.3Å; V108-P111 WeakPolarHBondContact O-CD 3.37Å; V108-P111 WeakPolarHBondContact O-CG 3.46Å; P111-M114 PolarHBondContact O-N 3.08Å; P111-L115 VanDerWaalsContact O-CB 3.27Å; P111-L115 WeakPolarHBondContact O-CB 3.47Å; P111-L115 PolarHBondContact O-N 2.67Å; P111-T227 HydrophobicContact CB-CG2 3.9Å; P111-T228 WeakPolarHBondContact CB-OG1 3.31Å |
| 112 | L | 96.8 | Very high | 95.3 | Very high | 87 Ų | 87 | 55 Ų | 55 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 177.8 | -177 | 62.1 | 0 | 0 | 0 | 111.5 | V108 A109 P110 L115 M116 | V108-L112 VanDerWaalsContact O-CB 3.27Å; V108-L112 WeakPolarHBondContact O-CB 3.14Å; V108-L112 PolarHBondContact O-N 3.09Å; A109-L112 PolarHBondContact O-N 3.41Å; P110-L112 VanDerWaalsContact C-N 3.32Å; P110-L112 PolarHBondContact O-N 3.41Å; L112-L115 PolarHBondContact O-N 3Å; L112-M116 HydrophobicContact CD1-CE 3.94Å; L112-M116 VanDerWaalsContact O-CG 3.26Å; L112-M116 WeakPolarHBondContact O-CG 3.43Å; L112-M116 PolarHBondContact O-N 3.37Å |
| 113 | V | 96.7 | Very high | 95.4 | Very high | 66 Ų | 66 | 57.6 Ų | 57.6 | 40% | 0.4 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 176 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | A109 P110 L115 M116 T117 L124 | A109-V113 WeakPolarHBondContact O-CG2 3.23Å; A109-V113 PolarHBondContact O-N 3.14Å; P110-V113 PolarHBondContact O-N 2.9Å; V113-L115 VanDerWaalsContact C-N 3.3Å; V113-L115 PolarHBondContact O-N 3.15Å; V113-M116 PolarHBondContact O-N 3.44Å; V113-T117 HydrophobicContact CG1-CG2 4.41Å; V113-T117 WeakPolarHBondContact O-CG2 3.39Å; V113-T117 PolarHBondContact O-N 3.08Å; V113-T117 PolarHBondContact O-OG1 2.91Å; V113-T117 VanDerWaalsContact O-OG1 3.08Å; V113-L124 HydrophobicContact CB-CD1 4.05Å; V113-L124 HydrophobicContact CG1-CD1 3.64Å |
| 114 | M | 95.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -31.8 | 179.5 | -69.1 | -176.7 | -83.2 | 0 | 0 | 113.2 | P110 P111 T117 K118 T119 Y120 I121 L124 A125 T228 V231 | P110-M114 HydrophobicContact CB-CE 4.22Å; P110-M114 VanDerWaalsContact O-CE 3.31Å; P110-M114 WeakPolarHBondContact O-CE 3.15Å; P110-M114 WeakPolarHBondContact O-CG 3.47Å; P110-M114 PolarHBondContact O-N 2.86Å; P110-M114 VanDerWaalsContact O-N 3.09Å; P111-M114 PolarHBondContact O-N 3.08Å; M114-T117 PolarHBondContact O-OG1 3.39Å; M114-K118 WeakPolarHBondContact O-CA 3.18Å; M114-K118 PolarHBondContact O-N 3.34Å; M114-T119 WeakPolarHBondContact CB-O 3.35Å; M114-T119 PolarHBondContact O-N 3.04Å; M114-T119 VanDerWaalsContact O-N 3.16Å; M114-Y120 HydrophobicContact SD-CD2 3.89Å; M114-Y120 HydrophobicContact SD-CE2 4.3Å; M114-I121 HydrophobicContact CG-CB 4.05Å; M114-I121 HydrophobicContact CG-CD1 4.42Å; M114-I121 HydrophobicContact CG-CG1 4.28Å; M114-I121 HydrophobicContact SD-CB 4.24Å; M114-I121 PolarHBondContact SD-N 3.48Å; M114-I121 VanDerWaalsContact SD-N 3.35Å; M114-L124 HydrophobicContact CE-CB 4.21Å; M114-L124 HydrophobicContact CG-CD1 4.15Å; M114-L124 HydrophobicContact SD-CB 4.37Å; M114-A125 HydrophobicContact CE-CB 4.32Å; M114-T228 HydrophobicContact CE-CG2 3.83Å; M114-V231 HydrophobicContact CB-CG1 3.73Å; M114-V231 HydrophobicContact SD-CG1 4.45Å |
| 115 | L | 94.9 | Very high | 95.5 | Very high | 91 Ų | 91 | 58 Ų | 58 | 48% | 0.476 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.2 | -42 | 174.4 | -173.8 | 65.3 | 0 | 0 | 0 | 111.7 | P111 L112 V113 K118 | P111-L115 VanDerWaalsContact O-CB 3.27Å; P111-L115 WeakPolarHBondContact O-CB 3.47Å; P111-L115 PolarHBondContact O-N 2.67Å; L112-L115 PolarHBondContact O-N 3Å; V113-L115 VanDerWaalsContact C-N 3.3Å; V113-L115 PolarHBondContact O-N 3.15Å; L115-K118 PolarHBondContact O-N 2.86Å |
| 116 | M | 95.3 | Very high | 95.5 | Very high | 145 Ų | 145 | 56.6 Ų | 56.6 | 71% | 0.714 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.2 | -40.5 | 177.4 | -69 | -65.9 | 177.2 | 0 | 0 | 112.3 | L112 V113 K118 | L112-M116 HydrophobicContact CD1-CE 3.94Å; L112-M116 VanDerWaalsContact O-CG 3.26Å; L112-M116 WeakPolarHBondContact O-CG 3.43Å; L112-M116 PolarHBondContact O-N 3.37Å; V113-M116 PolarHBondContact O-N 3.44Å; M116-K118 VanDerWaalsContact C-N 3.28Å; M116-K118 PolarHBondContact O-N 3.32Å |
| 117 | T | 93.2 | Very high | 95.5 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 42% | 0.417 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -5.2 | 176.3 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | V113 M114 T119 | V113-T117 HydrophobicContact CG1-CG2 4.41Å; V113-T117 WeakPolarHBondContact O-CG2 3.39Å; V113-T117 PolarHBondContact O-N 3.08Å; V113-T117 PolarHBondContact O-OG1 2.91Å; V113-T117 VanDerWaalsContact O-OG1 3.08Å; M114-T117 PolarHBondContact O-OG1 3.39Å; T117-T119 PolarHBondContact O-N 3.08Å; T117-T119 VanDerWaalsContact O-N 3.12Å; T117-T119 PolarHBondContact O-OG1 2.94Å |
| 118 | K | 92.2 | Very high | 95.5 | Very high | 149 Ų | 149 | 57.4 Ų | 57.4 | 65% | 0.648 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 37.7 | -176.2 | -60.6 | -179.9 | -177.9 | 175.9 | 0 | 112.7 | M114 L115 M116 F235 | M114-K118 WeakPolarHBondContact O-CA 3.18Å; M114-K118 PolarHBondContact O-N 3.34Å; L115-K118 PolarHBondContact O-N 2.86Å; M116-K118 VanDerWaalsContact C-N 3.28Å; M116-K118 PolarHBondContact O-N 3.32Å; K118-F235 HydrophobicContact CB-CE1 3.83Å; K118-F235 HydrophobicContact CB-CE2 4.39Å; K118-F235 HydrophobicContact CB-CZ 3.73Å; K118-F235 HydrophobicContact CG-CZ 4.17Å; K118-F235 WeakPolarHBondContact O-CD1 3.32Å; K118-F235 WeakPolarHBondContact O-CE1 3.4Å; K118-F235 WeakPolarHBondContact O-CG 3.39Å |
| 119 | T | 92.1 | Very high | 95.6 | Very high | 74 Ų | 74 | 54.6 Ų | 54.6 | 45% | 0.454 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -145.1 | 128 | -172.1 | -58.2 | 0 | 0 | 0 | 0 | 109.1 | M114 T117 I121 | M114-T119 WeakPolarHBondContact CB-O 3.35Å; M114-T119 PolarHBondContact O-N 3.04Å; M114-T119 VanDerWaalsContact O-N 3.16Å; T117-T119 PolarHBondContact O-N 3.08Å; T117-T119 VanDerWaalsContact O-N 3.12Å; T117-T119 PolarHBondContact O-OG1 2.94Å; T119-I121 HydrophobicContact CG2-CG1 4.42Å; T119-I121 PolarHBondContact O-N 3.05Å |
| 120 | Y | 93.6 | Very high | 95.6 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 4% | 0.043 | 29% | 0.285 | C | S | . | . | trans | -71.4 | 126 | 170.1 | 179.5 | -106.3 | 0 | 0 | 0 | 110 | M114 P122 A125 V231 K232 F235 E237 | M114-Y120 HydrophobicContact SD-CD2 3.89Å; M114-Y120 HydrophobicContact SD-CE2 4.3Å; Y120-P122 HydrophobicContact CD1-CG 4.13Å; Y120-P122 HydrophobicContact CE1-CB 4.26Å; Y120-P122 HydrophobicContact CE1-CG 3.87Å; Y120-A125 HydrophobicContact CE2-CB 3.68Å; Y120-A125 WeakPolarHBondContact OH-CB 3.41Å; Y120-V231 HydrophobicContact CD2-CG1 4.48Å; Y120-K232 HydrophobicContact CD1-CG 4.21Å; Y120-K232 HydrophobicContact CD2-CB 3.66Å; Y120-K232 HydrophobicContact CD2-CG 3.99Å; Y120-K232 HydrophobicContact CE1-CD 4.01Å; Y120-K232 HydrophobicContact CE1-CG 4.08Å; Y120-K232 HydrophobicContact CE2-CB 3.67Å; Y120-K232 HydrophobicContact CE2-CD 3.95Å; Y120-K232 HydrophobicContact CE2-CG 3.86Å; Y120-K232 HydrophobicContact CG-CB 4.23Å; Y120-K232 HydrophobicContact CG-CG 4.15Å; Y120-F235 WeakPolarHBondContact CB-O 3.28Å; Y120-E237 HydrophobicContact CD1-CB 4.29Å | ||
| 121 | I | 94.3 | Very high | 95.6 | Very high | 48 Ų | 48 | 56.6 Ų | 56.6 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | trans | -117.5 | 102.1 | -177.4 | -62.5 | 170.8 | 0 | 0 | 0 | 107.7 | M114 T119 I123 L124 A125 | M114-I121 HydrophobicContact CG-CB 4.05Å; M114-I121 HydrophobicContact CG-CD1 4.42Å; M114-I121 HydrophobicContact CG-CG1 4.28Å; M114-I121 HydrophobicContact SD-CB 4.24Å; M114-I121 PolarHBondContact SD-N 3.48Å; M114-I121 VanDerWaalsContact SD-N 3.35Å; T119-I121 HydrophobicContact CG2-CG1 4.42Å; T119-I121 PolarHBondContact O-N 3.05Å; I121-I123 VanDerWaalsContact C-N 3.28Å; I121-I123 HydrophobicContact CG2-CG2 3.63Å; I121-I123 PolarHBondContact O-N 2.85Å; I121-L124 HydrophobicContact CB-CB 4.27Å; I121-L124 HydrophobicContact CB-CD1 4.02Å; I121-L124 HydrophobicContact CB-CG 4.16Å; I121-L124 HydrophobicContact CD1-CD1 3.9Å; I121-L124 HydrophobicContact CG2-CB 4.17Å; I121-L124 HydrophobicContact CG2-CD1 4.01Å; I121-L124 HydrophobicContact CG2-CG 3.76Å; I121-L124 PolarHBondContact O-N 2.87Å; I121-A125 PolarHBondContact O-N 3.1Å | ||
| 122 | P | 93.8 | Very high | 95.7 | Very high | 46 Ų | 46 | 56.2 Ų | 56.2 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.2 | -38 | -171.9 | -27.6 | 33.5 | 0 | 0 | 0 | 114.1 | Y120 L124 A125 F126 L181 E237 | Y120-P122 HydrophobicContact CD1-CG 4.13Å; Y120-P122 HydrophobicContact CE1-CB 4.26Å; Y120-P122 HydrophobicContact CE1-CG 3.87Å; P122-L124 VanDerWaalsContact C-N 3.34Å; P122-L124 PolarHBondContact O-N 2.91Å; P122-A125 PolarHBondContact O-N 3.29Å; P122-F126 WeakPolarHBondContact O-CB 3.38Å; P122-F126 PolarHBondContact O-N 3.34Å; P122-L181 WeakPolarHBondContact O-CD2 3.42Å; P122-E237 HydrophobicContact CG-CG 4.34Å; P122-E237 WeakPolarHBondContact CG-OE1 3.41Å |
| 123 | I | 95.6 | Very high | 95.7 | Very high | 111 Ų | 111 | 52.1 Ų | 52.1 | 57% | 0.569 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65 | -34.9 | 179 | -174.3 | 60.3 | 0 | 0 | 0 | 112.7 | I121 F126 T127 | I121-I123 VanDerWaalsContact C-N 3.28Å; I121-I123 HydrophobicContact CG2-CG2 3.63Å; I121-I123 PolarHBondContact O-N 2.85Å; I123-F126 HydrophobicContact CD1-CD1 4.41Å; I123-F126 PolarHBondContact O-N 2.76Å; I123-T127 WeakPolarHBondContact O-CG2 3.47Å; I123-T127 PolarHBondContact O-N 3.42Å; I123-T127 PolarHBondContact O-OG1 2.88Å |
| 124 | L | 96.4 | Very high | 95.7 | Very high | 46 Ų | 46 | 52 Ų | 52 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.8 | -42.4 | 175.6 | -70.3 | -177.1 | 0 | 0 | 0 | 111.2 | P110 V113 M114 I121 P122 F126 T127 Q128 | P110-L124 HydrophobicContact CB-CB 4.14Å; V113-L124 HydrophobicContact CB-CD1 4.05Å; V113-L124 HydrophobicContact CG1-CD1 3.64Å; M114-L124 HydrophobicContact CE-CB 4.21Å; M114-L124 HydrophobicContact CG-CD1 4.15Å; M114-L124 HydrophobicContact SD-CB 4.37Å; I121-L124 HydrophobicContact CB-CB 4.27Å; I121-L124 HydrophobicContact CB-CD1 4.02Å; I121-L124 HydrophobicContact CB-CG 4.16Å; I121-L124 HydrophobicContact CD1-CD1 3.9Å; I121-L124 HydrophobicContact CG2-CB 4.17Å; I121-L124 HydrophobicContact CG2-CD1 4.01Å; I121-L124 HydrophobicContact CG2-CG 3.76Å; I121-L124 PolarHBondContact O-N 2.87Å; P122-L124 VanDerWaalsContact C-N 3.34Å; P122-L124 PolarHBondContact O-N 2.91Å; L124-F126 VanDerWaalsContact C-N 3.29Å; L124-F126 PolarHBondContact O-N 3.4Å; L124-T127 PolarHBondContact O-N 3.43Å; L124-T127 PolarHBondContact O-OG1 3.21Å; L124-Q128 WeakPolarHBondContact O-CB 3.42Å; L124-Q128 PolarHBondContact O-N 3.18Å |
| 125 | A | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -34.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M114 Y120 I121 P122 M129 L181 I185 T228 | M114-A125 HydrophobicContact CE-CB 4.32Å; Y120-A125 HydrophobicContact CE2-CB 3.68Å; Y120-A125 WeakPolarHBondContact OH-CB 3.41Å; I121-A125 PolarHBondContact O-N 3.1Å; P122-A125 PolarHBondContact O-N 3.29Å; A125-M129 VanDerWaalsContact O-CB 3.29Å; A125-M129 WeakPolarHBondContact O-CB 3.42Å; A125-M129 PolarHBondContact O-N 3.23Å; A125-L181 HydrophobicContact CB-CD2 3.94Å; A125-I185 HydrophobicContact CB-CD1 4.19Å; A125-T228 HydrophobicContact CB-CG2 4.04Å |
| 126 | F | 97 | Very high | 95.8 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.5 | -47.2 | 173.6 | 176.6 | -93.6 | 0 | 0 | 0 | 112.5 | P122 I123 L124 Q128 M129 A130 L181 | P122-F126 WeakPolarHBondContact O-CB 3.38Å; P122-F126 PolarHBondContact O-N 3.34Å; I123-F126 HydrophobicContact CD1-CD1 4.41Å; I123-F126 PolarHBondContact O-N 2.76Å; L124-F126 VanDerWaalsContact C-N 3.29Å; L124-F126 PolarHBondContact O-N 3.4Å; F126-Q128 VanDerWaalsContact C-N 3.3Å; F126-Q128 PolarHBondContact O-N 2.94Å; F126-M129 HydrophobicContact CD2-CE 3.7Å; F126-M129 HydrophobicContact CE2-CE 3.76Å; F126-M129 PolarHBondContact O-N 3.16Å; F126-A130 WeakPolarHBondContact O-CB 3.17Å; F126-A130 PolarHBondContact O-N 2.9Å; F126-L181 HydrophobicContact CB-CD1 4.31Å; F126-L181 HydrophobicContact CB-CD2 4.16Å; F126-L181 HydrophobicContact CD2-CD1 4.44Å |
| 127 | T | 97.3 | Very high | 95.7 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 41% | 0.411 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.7 | -38.1 | 178.9 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | I123 L124 Y131 | I123-T127 WeakPolarHBondContact O-CG2 3.47Å; I123-T127 PolarHBondContact O-N 3.42Å; I123-T127 PolarHBondContact O-OG1 2.88Å; L124-T127 PolarHBondContact O-N 3.43Å; L124-T127 PolarHBondContact O-OG1 3.21Å; T127-Y131 WeakPolarHBondContact O-CB 3.31Å; T127-Y131 PolarHBondContact O-N 3.03Å |
| 128 | Q | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 172.2 | -167.5 | -172.2 | -11 | 0 | 0 | 112.1 | P110 L124 F126 Y131 G132 S224 F225 T228 | P110-Q128 HydrophobicContact CB-CB 3.97Å; P110-Q128 HydrophobicContact CB-CG 4.25Å; P110-Q128 HydrophobicContact CG-CB 3.91Å; P110-Q128 HydrophobicContact CG-CG 4.21Å; L124-Q128 WeakPolarHBondContact O-CB 3.42Å; L124-Q128 PolarHBondContact O-N 3.18Å; F126-Q128 VanDerWaalsContact C-N 3.3Å; F126-Q128 PolarHBondContact O-N 2.94Å; Q128-Y131 PolarHBondContact O-N 3.16Å; Q128-G132 PolarHBondContact O-N 3.45Å; Q128-S224 PolarHBondContact NE2-O 2.97Å; Q128-S224 PolarHBondContact NE2-OG 3.15Å; Q128-F225 HydrophobicContact CB-CE1 4.36Å; Q128-F225 HydrophobicContact CG-CD1 4.29Å; Q128-F225 HydrophobicContact CG-CE1 3.73Å; Q128-F225 HydrophobicContact CG-CZ 4.1Å; Q128-F225 VanDerWaalsContact O-CZ 3.31Å; Q128-F225 WeakPolarHBondContact O-CZ 3.35Å; Q128-T228 PolarHBondContact NE2-OG1 2.57Å; Q128-T228 PolarHBondContact OE1-OG1 3.17Å |
| 129 | M | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -48.3 | 177.1 | -179.7 | -77.1 | -65.9 | 0 | 0 | 111.4 | A125 F126 Y131 G132 A133 A174 L181 A184 I185 V188 F225 | A125-M129 VanDerWaalsContact O-CB 3.29Å; A125-M129 WeakPolarHBondContact O-CB 3.42Å; A125-M129 PolarHBondContact O-N 3.23Å; F126-M129 HydrophobicContact CD2-CE 3.7Å; F126-M129 HydrophobicContact CE2-CE 3.76Å; F126-M129 PolarHBondContact O-N 3.16Å; M129-Y131 VanDerWaalsContact C-N 3.31Å; M129-Y131 PolarHBondContact O-N 3Å; M129-G132 PolarHBondContact O-N 2.92Å; M129-G132 VanDerWaalsContact O-N 3.16Å; M129-A133 PolarHBondContact O-N 2.92Å; M129-A174 HydrophobicContact SD-CB 4.32Å; M129-L181 HydrophobicContact CB-CD1 4Å; M129-L181 HydrophobicContact CE-CD1 4.08Å; M129-L181 HydrophobicContact CG-CD1 4.15Å; M129-A184 HydrophobicContact CE-CB 4.27Å; M129-A184 HydrophobicContact CG-CB 3.93Å; M129-A184 HydrophobicContact SD-CB 4.07Å; M129-I185 HydrophobicContact CB-CG1 4.03Å; M129-I185 HydrophobicContact CG-CG1 4.14Å; M129-V188 HydrophobicContact CG-CG2 4.23Å; M129-F225 HydrophobicContact CB-CE1 4.47Å |
| 130 | A | 97.8 | Very high | 95.3 | Very high | 19 Ų | 19 | 37 Ų | 37 | 16% | 0.157 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.7 | -38.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F126 S134 F175 | F126-A130 WeakPolarHBondContact O-CB 3.17Å; F126-A130 PolarHBondContact O-N 2.9Å; A130-S134 WeakPolarHBondContact O-CB 3.44Å; A130-S134 PolarHBondContact O-N 3.28Å; A130-S134 PolarHBondContact O-OG 3.06Å; A130-F175 HydrophobicContact CB-CE1 3.89Å; A130-F175 HydrophobicContact CB-CZ 4.01Å |
| 131 | Y | 98.3 | Very high | 95.1 | Very high | 73 Ų | 73 | 38.5 Ų | 38.5 | 29% | 0.286 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67 | -42.5 | 173.6 | -172.3 | -106.6 | 0 | 0 | 0 | 112.2 | G103 P106 F107 T127 Q128 M129 S134 F135 | G103-Y131 WeakPolarHBondContact O-CE1 3.43Å; G103-Y131 PolarHBondContact O-OH 3.37Å; P106-Y131 HydrophobicContact CB-CD1 3.64Å; P106-Y131 HydrophobicContact CB-CD2 4.03Å; P106-Y131 HydrophobicContact CB-CE1 3.91Å; P106-Y131 HydrophobicContact CB-CE2 4.3Å; P106-Y131 HydrophobicContact CB-CG 3.7Å; P106-Y131 HydrophobicContact CG-CD1 4.14Å; P106-Y131 HydrophobicContact CG-CD2 4.15Å; P106-Y131 HydrophobicContact CG-CE1 3.9Å; P106-Y131 HydrophobicContact CG-CE2 3.94Å; P106-Y131 HydrophobicContact CG-CG 4.26Å; F107-Y131 HydrophobicContact CD1-CD1 4.09Å; F107-Y131 HydrophobicContact CD2-CD1 4.08Å; F107-Y131 AromaticContact CD2-CE1 3.77Å; F107-Y131 HydrophobicContact CD2-CE1 3.77Å; F107-Y131 AromaticContact CE1-CD1 3.8Å; F107-Y131 HydrophobicContact CE1-CD1 3.8Å; F107-Y131 HydrophobicContact CE1-CE1 4.31Å; F107-Y131 AromaticContact CE2-CD1 3.81Å; F107-Y131 HydrophobicContact CE2-CD1 3.81Å; F107-Y131 AromaticContact CE2-CE1 3.45Å; F107-Y131 HydrophobicContact CE2-CE1 3.45Å; F107-Y131 VanDerWaalsContact CE2-CE1 3.45Å; F107-Y131 HydrophobicContact CG-CD1 4.21Å; F107-Y131 HydrophobicContact CG-CE1 4.33Å; F107-Y131 AromaticContact CZ-CD1 3.65Å; F107-Y131 HydrophobicContact CZ-CD1 3.65Å; F107-Y131 AromaticContact CZ-CE1 3.74Å; F107-Y131 HydrophobicContact CZ-CE1 3.74Å; T127-Y131 WeakPolarHBondContact O-CB 3.31Å; T127-Y131 PolarHBondContact O-N 3.03Å; Q128-Y131 PolarHBondContact O-N 3.16Å; M129-Y131 VanDerWaalsContact C-N 3.31Å; M129-Y131 PolarHBondContact O-N 3Å; Y131-S134 WeakPolarHBondContact O-CB 3.1Å; Y131-S134 PolarHBondContact O-N 3.11Å; Y131-F135 WeakPolarHBondContact O-CB 3.23Å; Y131-F135 PolarHBondContact O-N 2.81Å |
| 132 | G | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q128 M129 F135 L136 | Q128-G132 PolarHBondContact O-N 3.45Å; M129-G132 PolarHBondContact O-N 2.92Å; M129-G132 VanDerWaalsContact O-N 3.16Å; G132-F135 PolarHBondContact O-N 2.92Å; G132-L136 WeakPolarHBondContact O-CD1 3.29Å; G132-L136 PolarHBondContact O-N 3.22Å |
| 133 | A | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.7 | -47 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | M129 F135 L136 S137 S171 F175 V188 | M129-A133 PolarHBondContact O-N 2.92Å; A133-F135 VanDerWaalsContact C-N 3.29Å; A133-F135 PolarHBondContact O-N 3.31Å; A133-L136 WeakPolarHBondContact O-CB 3.32Å; A133-L136 PolarHBondContact O-N 3.31Å; A133-L136 VanDerWaalsContact O-N 3.15Å; A133-S137 PolarHBondContact O-N 2.73Å; A133-S137 PolarHBondContact O-OG 3.3Å; A133-S171 VanDerWaalsContact C-OG 3.28Å; A133-S171 WeakPolarHBondContact O-CB 3.43Å; A133-S171 PolarHBondContact O-OG 3.15Å; A133-F175 HydrophobicContact CB-CD2 3.95Å; A133-F175 HydrophobicContact CB-CE2 3.43Å; A133-F175 VanDerWaalsContact CB-CE2 3.43Å; A133-F175 HydrophobicContact CB-CZ 3.97Å; A133-V188 HydrophobicContact CB-CG2 4.33Å |
| 134 | S | 97.1 | Very high | 93.7 | Very high | 65 Ų | 65 | 36.5 Ų | 36.5 | 46% | 0.455 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.6 | -41.1 | 175.2 | -57 | 0 | 0 | 0 | 0 | 112.4 | A130 Y131 S137 F138 | A130-S134 WeakPolarHBondContact O-CB 3.44Å; A130-S134 PolarHBondContact O-N 3.28Å; A130-S134 PolarHBondContact O-OG 3.06Å; Y131-S134 WeakPolarHBondContact O-CB 3.1Å; Y131-S134 PolarHBondContact O-N 3.11Å; S134-S137 PolarHBondContact O-N 3.08Å; S134-F138 PolarHBondContact O-N 2.91Å |
| 135 | F | 95.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.9 | -38.4 | 176.4 | -177 | -99.4 | 0 | 0 | 0 | 112.9 | F107 Y131 G132 A133 S137 F138 L139 M192 V217 T218 | F107-F135 HydrophobicContact CE2-CD1 4.42Å; F107-F135 HydrophobicContact CE2-CD2 4.42Å; F107-F135 HydrophobicContact CE2-CG 4.23Å; F107-F135 HydrophobicContact CZ-CB 3.85Å; F107-F135 AromaticContact CZ-CD1 4Å; F107-F135 HydrophobicContact CZ-CD1 4Å; F107-F135 HydrophobicContact CZ-CD2 4.49Å; F107-F135 AromaticContact CZ-CG 3.87Å; F107-F135 HydrophobicContact CZ-CG 3.87Å; Y131-F135 WeakPolarHBondContact O-CB 3.23Å; Y131-F135 PolarHBondContact O-N 2.81Å; G132-F135 PolarHBondContact O-N 2.92Å; A133-F135 VanDerWaalsContact C-N 3.29Å; A133-F135 PolarHBondContact O-N 3.31Å; F135-S137 VanDerWaalsContact C-N 3.35Å; F135-F138 HydrophobicContact CD2-CD1 4.48Å; F135-F138 WeakPolarHBondContact O-CB 3.44Å; F135-F138 PolarHBondContact O-N 3.16Å; F135-L139 HydrophobicContact CD1-CD1 3.55Å; F135-L139 HydrophobicContact CD1-CG 4.17Å; F135-L139 HydrophobicContact CE1-CD1 3.37Å; F135-L139 HydrophobicContact CE1-CD2 4.28Å; F135-L139 HydrophobicContact CE1-CG 3.88Å; F135-L139 HydrophobicContact CZ-CD1 4.21Å; F135-L139 HydrophobicContact CZ-CD2 4.35Å; F135-L139 HydrophobicContact CZ-CG 4.25Å; F135-L139 WeakPolarHBondContact O-CG 3.37Å; F135-L139 PolarHBondContact O-N 3.37Å; F135-M192 HydrophobicContact CD1-CE 3.66Å; F135-M192 HydrophobicContact CD1-SD 4.19Å; F135-M192 HydrophobicContact CE1-CE 4.25Å; F135-M192 HydrophobicContact CE1-SD 4.35Å; F135-V217 HydrophobicContact CE1-CG1 4.16Å; F135-V217 HydrophobicContact CE2-CG1 3.99Å; F135-V217 HydrophobicContact CZ-CG1 3.41Å; F135-V217 VanDerWaalsContact CZ-CG1 3.41Å; F135-T218 HydrophobicContact CE1-CG2 3.98Å |
| 136 | L | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -43.1 | 171.1 | -104.4 | 57.7 | 0 | 0 | 0 | 112.2 | G132 A133 F138 L139 G140 P167 F170 M192 | G132-L136 WeakPolarHBondContact O-CD1 3.29Å; G132-L136 PolarHBondContact O-N 3.22Å; A133-L136 WeakPolarHBondContact O-CB 3.32Å; A133-L136 PolarHBondContact O-N 3.31Å; A133-L136 VanDerWaalsContact O-N 3.15Å; L136-F138 VanDerWaalsContact C-N 3.35Å; L136-L139 HydrophobicContact CD1-CD1 4.33Å; L136-L139 WeakPolarHBondContact O-CB 3.28Å; L136-L139 PolarHBondContact O-N 2.96Å; L136-G140 PolarHBondContact O-N 2.86Å; L136-P167 HydrophobicContact CB-CB 4.49Å; L136-P167 HydrophobicContact CG-CB 4.43Å; L136-P167 VanDerWaalsContact O-CB 3.3Å; L136-P167 WeakPolarHBondContact O-CB 3.13Å; L136-F170 HydrophobicContact CD2-CB 3.92Å; L136-M192 HydrophobicContact CD1-CE 3.67Å; L136-M192 HydrophobicContact CD1-CG 3.67Å; L136-M192 HydrophobicContact CD1-SD 3.48Å; L136-M192 WeakPolarHBondContact CD1-SD 3.3Å |
| 137 | S | 94.5 | Very high | 91.8 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63 | -42 | 175 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | A133 S134 F135 G140 G141 L168 S171 | A133-S137 PolarHBondContact O-N 2.73Å; A133-S137 PolarHBondContact O-OG 3.3Å; S134-S137 PolarHBondContact O-N 3.08Å; F135-S137 VanDerWaalsContact C-N 3.35Å; S137-G140 PolarHBondContact O-N 3.39Å; S137-G141 PolarHBondContact O-N 3.43Å; S137-L168 WeakPolarHBondContact OG-CD1 3.37Å; S137-S171 VanDerWaalsContact OG-CB 3.25Å; S137-S171 WeakPolarHBondContact OG-CB 3.5Å; S137-S171 PolarHBondContact OG-OG 3.03Å |
| 138 | F | 92.4 | Very high | 91.2 | Very high | 123 Ų | 123 | 38 Ų | 38 | 54% | 0.539 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.5 | -38.2 | 176 | 176.2 | -117.7 | 0 | 0 | 0 | 113.1 | S134 F135 L136 G140 G141 I142 | S134-F138 PolarHBondContact O-N 2.91Å; F135-F138 HydrophobicContact CD2-CD1 4.48Å; F135-F138 WeakPolarHBondContact O-CB 3.44Å; F135-F138 PolarHBondContact O-N 3.16Å; L136-F138 VanDerWaalsContact C-N 3.35Å; F138-G140 VanDerWaalsContact C-N 3.31Å; F138-G140 PolarHBondContact O-N 2.88Å; F138-G141 PolarHBondContact O-N 3.41Å; F138-G141 VanDerWaalsContact O-N 3.14Å; F138-I142 HydrophobicContact CD1-CD1 3.89Å; F138-I142 HydrophobicContact CE1-CD1 3.54Å; F138-I142 HydrophobicContact CE1-CG1 4.22Å; F138-I142 HydrophobicContact CE2-CD1 4.32Å; F138-I142 HydrophobicContact CE2-CG1 4.12Å; F138-I142 HydrophobicContact CG-CD1 4.44Å; F138-I142 HydrophobicContact CZ-CD1 3.76Å; F138-I142 HydrophobicContact CZ-CG1 3.96Å; F138-I142 WeakPolarHBondContact O-CG1 3.32Å; F138-I142 PolarHBondContact O-N 3.27Å |
| 139 | L | 90.1 | Very high | 90.5 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.8 | -41.1 | 174.2 | -79.8 | 162 | 0 | 0 | 0 | 112.5 | F135 L136 A195 E199 K214 T218 | F135-L139 HydrophobicContact CD1-CD1 3.55Å; F135-L139 HydrophobicContact CD1-CG 4.17Å; F135-L139 HydrophobicContact CE1-CD1 3.37Å; F135-L139 HydrophobicContact CE1-CD2 4.28Å; F135-L139 HydrophobicContact CE1-CG 3.88Å; F135-L139 HydrophobicContact CZ-CD1 4.21Å; F135-L139 HydrophobicContact CZ-CD2 4.35Å; F135-L139 HydrophobicContact CZ-CG 4.25Å; F135-L139 WeakPolarHBondContact O-CG 3.37Å; F135-L139 PolarHBondContact O-N 3.37Å; L136-L139 HydrophobicContact CD1-CD1 4.33Å; L136-L139 WeakPolarHBondContact O-CB 3.28Å; L136-L139 PolarHBondContact O-N 2.96Å; L139-A195 HydrophobicContact CD1-CB 3.86Å; L139-E199 WeakPolarHBondContact CD2-OE1 3.5Å; L139-K214 HydrophobicContact CD2-CD 4Å; L139-T218 HydrophobicContact CD1-CG2 4.1Å; L139-T218 HydrophobicContact CD2-CG2 4.42Å |
| 140 | G | 85.9 | Confident | 89.6 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -50.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L136 S137 F138 I142 R143 S164 | L136-G140 PolarHBondContact O-N 2.86Å; S137-G140 PolarHBondContact O-N 3.39Å; F138-G140 VanDerWaalsContact C-N 3.31Å; F138-G140 PolarHBondContact O-N 2.88Å; G140-I142 VanDerWaalsContact C-N 3.32Å; G140-I142 PolarHBondContact O-N 2.95Å; G140-R143 PolarHBondContact O-N 2.93Å; G140-S164 VanDerWaalsContact CA-O 3.26Å; G140-S164 WeakPolarHBondContact CA-O 3.42Å; G140-S164 WeakPolarHBondContact O-CB 3.39Å |
| 141 | G | 88.2 | Confident | 88.6 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 43% | 0.433 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.5 | -35.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S137 F138 R143 W144 G145 | S137-G141 PolarHBondContact O-N 3.43Å; F138-G141 PolarHBondContact O-N 3.41Å; F138-G141 VanDerWaalsContact O-N 3.14Å; G141-R143 PolarHBondContact O-N 3.19Å; G141-W144 PolarHBondContact O-N 3.42Å; G141-G145 PolarHBondContact O-N 3.27Å |
| 142 | I | 87.3 | Confident | 87.5 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 17% | 0.174 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.9 | -37.5 | 178 | -74.1 | 161.8 | 0 | 0 | 0 | 112.2 | F138 G140 W144 G145 F146 Y206 F210 | F138-I142 HydrophobicContact CD1-CD1 3.89Å; F138-I142 HydrophobicContact CE1-CD1 3.54Å; F138-I142 HydrophobicContact CE1-CG1 4.22Å; F138-I142 HydrophobicContact CE2-CD1 4.32Å; F138-I142 HydrophobicContact CE2-CG1 4.12Å; F138-I142 HydrophobicContact CG-CD1 4.44Å; F138-I142 HydrophobicContact CZ-CD1 3.76Å; F138-I142 HydrophobicContact CZ-CG1 3.96Å; F138-I142 WeakPolarHBondContact O-CG1 3.32Å; F138-I142 PolarHBondContact O-N 3.27Å; G140-I142 VanDerWaalsContact C-N 3.32Å; G140-I142 PolarHBondContact O-N 2.95Å; I142-W144 VanDerWaalsContact C-N 3.33Å; I142-W144 PolarHBondContact O-N 3.46Å; I142-G145 PolarHBondContact O-N 2.99Å; I142-G145 VanDerWaalsContact O-N 3.14Å; I142-F146 PolarHBondContact O-N 2.96Å; I142-F146 VanDerWaalsContact O-N 3.09Å; I142-Y206 HydrophobicContact CG2-CE1 4.46Å; I142-F210 HydrophobicContact CG2-CE1 4.29Å; I142-F210 HydrophobicContact CG2-CZ 4.05Å |
| 143 | R | 83.6 | Confident | 86.1 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 8% | 0.075 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.4 | -35 | -176.8 | -168.6 | 167.5 | -171.4 | 148.9 | -5.1 | 112.5 | G140 G141 A147 N160 S163 | G140-R143 PolarHBondContact O-N 2.93Å; G141-R143 PolarHBondContact O-N 3.19Å; R143-A147 VanDerWaalsContact O-CB 3.3Å; R143-A147 WeakPolarHBondContact O-CB 3.37Å; R143-A147 PolarHBondContact O-N 3.5Å; R143-A147 VanDerWaalsContact O-N 3.09Å; R143-N160 VanDerWaalsContact CD-O 3.25Å; R143-N160 WeakPolarHBondContact CD-O 3.23Å; R143-N160 PolarHBondContact NE-O 3.06Å; R143-N160 PolarHBondContact NH2-OD1 3.46Å; R143-S163 PolarHBondContact NE-OG 2.95Å; R143-S163 PolarHBondContact NH1-OG 3Å; R143-S163 PolarHBondContact NH2-OG 3.1Å |
| 144 | W | 85.1 | Confident | 84.9 | Confident | 108 Ų | 108 | 56.1 Ų | 56.1 | 41% | 0.409 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 170.6 | -68 | 77.5 | 0 | 0 | 0 | 110.6 | G141 I142 F146 A147 L148 L161 S164 | G141-W144 PolarHBondContact O-N 3.42Å; I142-W144 VanDerWaalsContact C-N 3.33Å; I142-W144 PolarHBondContact O-N 3.46Å; W144-F146 PolarHBondContact O-N 3.41Å; W144-A147 PolarHBondContact O-N 2.91Å; W144-A147 VanDerWaalsContact O-N 3.15Å; W144-L148 HydrophobicContact CB-CD1 4.43Å; W144-L148 WeakPolarHBondContact O-CB 3.35Å; W144-L148 WeakPolarHBondContact O-CD1 3.3Å; W144-L148 VanDerWaalsContact O-CG 3.24Å; W144-L148 WeakPolarHBondContact O-CG 3.42Å; W144-L148 PolarHBondContact O-N 3.2Å; W144-L148 VanDerWaalsContact O-N 3.11Å; W144-L161 HydrophobicContact CD2-CD2 3.88Å; W144-L161 HydrophobicContact CE3-CD2 3.92Å; W144-L161 HydrophobicContact CG-CD2 4.39Å; W144-L161 HydrophobicContact CH2-CB 4.33Å; W144-L161 HydrophobicContact CH2-CD1 4.19Å; W144-L161 HydrophobicContact CH2-CD2 4.35Å; W144-L161 HydrophobicContact CZ2-CB 4.12Å; W144-L161 HydrophobicContact CZ2-CD2 4.31Å; W144-L161 HydrophobicContact CZ3-CD1 4.16Å; W144-L161 HydrophobicContact CZ3-CD2 4.16Å; W144-S164 PolarHBondContact NE1-OG 3Å |
| 145 | G | 85.1 | Confident | 83.8 | Confident | 51 Ų | 51 | 59.7 Ų | 59.7 | 53% | 0.526 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.3 | -30.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G141 I142 P149 | G141-G145 PolarHBondContact O-N 3.27Å; I142-G145 PolarHBondContact O-N 2.99Å; I142-G145 VanDerWaalsContact O-N 3.14Å; G145-P149 WeakPolarHBondContact O-CD 3.45Å |
| 146 | F | 80.9 | Confident | 83 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -90.5 | -25.7 | 176.2 | -168.1 | -97.3 | 0 | 0 | 0 | 114.2 | I142 W144 S152 A154 H205 Y206 | I142-F146 PolarHBondContact O-N 2.96Å; I142-F146 VanDerWaalsContact O-N 3.09Å; W144-F146 PolarHBondContact O-N 3.41Å; F146-S152 VanDerWaalsContact O-CB 3.29Å; F146-S152 WeakPolarHBondContact O-CB 3.39Å; F146-S152 PolarHBondContact O-OG 3.41Å; F146-A154 HydrophobicContact CD1-CB 3.8Å; F146-A154 HydrophobicContact CE1-CB 3.85Å; F146-H205 HydrophobicContact CE1-CB 4.24Å; F146-H205 WeakPolarHBondContact CZ-O 3.08Å; F146-Y206 HydrophobicContact CB-CE1 3.81Å; F146-Y206 HydrophobicContact CB-CE2 4.4Å; F146-Y206 VanDerWaalsContact CB-OH 3.23Å; F146-Y206 WeakPolarHBondContact CB-OH 3.19Å; F146-Y206 HydrophobicContact CD1-CD2 4.06Å; F146-Y206 HydrophobicContact CD1-CE1 4.06Å; F146-Y206 AromaticContact CD1-CE2 3.47Å; F146-Y206 HydrophobicContact CD1-CE2 3.47Å; F146-Y206 VanDerWaalsContact CD1-CE2 3.47Å; F146-Y206 AromaticContact CD1-CZ 3.52Å; F146-Y206 HydrophobicContact CD2-CD1 4.09Å; F146-Y206 AromaticContact CD2-CE1 3.81Å; F146-Y206 HydrophobicContact CD2-CE1 3.81Å; F146-Y206 AromaticContact CE1-CD2 3.96Å; F146-Y206 HydrophobicContact CE1-CD2 3.96Å; F146-Y206 AromaticContact CE1-CE2 3.83Å; F146-Y206 HydrophobicContact CE1-CE2 3.83Å; F146-Y206 HydrophobicContact CE1-CG 4.42Å; F146-Y206 HydrophobicContact CE2-CD1 4.25Å; F146-Y206 HydrophobicContact CE2-CE1 4.4Å; F146-Y206 HydrophobicContact CG-CD1 4.24Å; F146-Y206 AromaticContact CG-CE1 3.61Å; F146-Y206 HydrophobicContact CG-CE1 3.61Å; F146-Y206 AromaticContact CG-CE2 3.92Å; F146-Y206 HydrophobicContact CG-CE2 3.92Å; F146-Y206 AromaticContact CG-CZ 3.46Å; F146-Y206 VanDerWaalsContact CG-CZ 3.46Å; F146-Y206 HydrophobicContact CZ-CD2 4.35Å; F146-Y206 HydrophobicContact CZ-CG 4.38Å |
| 147 | A | 84.1 | Confident | 82.4 | Confident | 5 Ų | 5 | 66.1 Ų | 66.1 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -87.4 | -19.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R143 W144 A154 L161 | R143-A147 VanDerWaalsContact O-CB 3.3Å; R143-A147 WeakPolarHBondContact O-CB 3.37Å; R143-A147 PolarHBondContact O-N 3.5Å; R143-A147 VanDerWaalsContact O-N 3.09Å; W144-A147 PolarHBondContact O-N 2.91Å; W144-A147 VanDerWaalsContact O-N 3.15Å; A147-A154 WeakPolarHBondContact CA-O 3.48Å; A147-L161 HydrophobicContact CB-CD2 4.28Å |
| 148 | L | 83.7 | Confident | 81.8 | Confident | 119 Ų | 119 | 74.6 Ų | 74.6 | 62% | 0.623 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -78.3 | -32.9 | -178.7 | -71.1 | 169 | 0 | 0 | 0 | 116.1 | W144 | W144-L148 HydrophobicContact CB-CD1 4.43Å; W144-L148 WeakPolarHBondContact O-CB 3.35Å; W144-L148 WeakPolarHBondContact O-CD1 3.3Å; W144-L148 VanDerWaalsContact O-CG 3.24Å; W144-L148 WeakPolarHBondContact O-CG 3.42Å; W144-L148 PolarHBondContact O-N 3.2Å; W144-L148 VanDerWaalsContact O-N 3.11Å |
| 149 | P | 84.3 | Confident | 81.1 | Confident | 73 Ų | 73 | 76 Ų | 76 | 47% | 0.474 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -61.8 | 137.7 | 179.2 | -25.9 | 36 | 0 | 0 | 0 | 113.4 | G145 G151 S152 | G145-P149 WeakPolarHBondContact O-CD 3.45Å; P149-G151 PolarHBondContact O-N 3.38Å; P149-S152 VanDerWaalsContact O-CB 3.25Å; P149-S152 WeakPolarHBondContact O-CB 3.46Å; P149-S152 PolarHBondContact O-N 3.37Å |
| 150 | E | 78.9 | Confident | 80.6 | Confident | 201 Ų | 201 | 76.6 Ų | 76.6 | 94% | 0.939 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 135.1 | 175.1 | -64.8 | -174.6 | 178.3 | 0 | 0 | 111 | S152 | E150-S152 VanDerWaalsContact C-N 3.27Å; E150-S152 PolarHBondContact O-N 3.04Å |
| 151 | G | 75.4 | Confident | 80.4 | Confident | 83 Ų | 83 | 77.8 Ų | 77.8 | 86% | 0.856 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 7.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P149 | P149-G151 PolarHBondContact O-N 3.38Š|
| 152 | S | 74.6 | Confident | 80.2 | Confident | 23 Ų | 23 | 78.4 Ų | 78.4 | 16% | 0.161 | 43% | 0.434 | C | S | . | . | trans | -55.7 | 135.5 | 173.2 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | F146 P149 E150 A154 | F146-S152 VanDerWaalsContact O-CB 3.29Å; F146-S152 WeakPolarHBondContact O-CB 3.39Å; F146-S152 PolarHBondContact O-OG 3.41Å; P149-S152 VanDerWaalsContact O-CB 3.25Å; P149-S152 WeakPolarHBondContact O-CB 3.46Å; P149-S152 PolarHBondContact O-N 3.37Å; E150-S152 VanDerWaalsContact C-N 3.27Å; E150-S152 PolarHBondContact O-N 3.04Å; S152-A154 PolarHBondContact O-N 3.02Å; S152-A154 PolarHBondContact OG-N 3.44Å; S152-A154 PolarHBondContact OG-O 3.47Å | ||
| 153 | P | 69.6 | Low | 80 | Confident | 79 Ų | 79 | 77.7 Ų | 77.7 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -68.3 | -19.4 | 175.9 | -7.6 | 21.1 | 0 | 0 | 0 | 112.4 | H205 | P153-H205 HydrophobicContact CB-CB 3.98Š|
| 154 | A | 72.4 | Confident | 80 | Confident | 13 Ų | 13 | 77 Ų | 77 | 11% | 0.107 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -97.6 | 98 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | F146 A147 S152 H205 | F146-A154 HydrophobicContact CD1-CB 3.8Å; F146-A154 HydrophobicContact CE1-CB 3.85Å; A147-A154 WeakPolarHBondContact CA-O 3.48Å; S152-A154 PolarHBondContact O-N 3.02Å; S152-A154 PolarHBondContact OG-N 3.44Å; S152-A154 PolarHBondContact OG-O 3.47Å; A154-H205 HydrophobicContact CB-CB 4.36Å |
| 155 | K | 73.5 | Confident | 80.3 | Confident | 140 Ų | 140 | 75 Ų | 75 | 61% | 0.609 | 43% | 0.427 | S | S | * | . | trans | -60.5 | 149.6 | 176.1 | -68.7 | -177.5 | -178.9 | -179.3 | 0 | 111.7 | D157 N160 | K155-D157 WeakPolarHBondContact CB-OD1 3.4Å; K155-D157 PolarHBondContact O-N 2.95Å; K155-N160 PolarHBondContact O-ND2 2.81Å | ||
| 156 | P | 78.9 | Confident | 80.5 | Confident | 78 Ų | 78 | 74 Ų | 74 | 51% | 0.506 | 41% | 0.414 | S | S | . | . | trans | -73.8 | 49.3 | 176.3 | 33.1 | -37.3 | 0 | 0 | 0 | 112.4 | L161 | P156-L161 HydrophobicContact CB-CD1 4.13Š| ||
| 157 | D | 82.4 | Confident | 81.1 | Confident | 82 Ų | 82 | 71.9 Ų | 71.9 | 44% | 0.439 | 41% | 0.405 | S | S | . | . | trans | -70.2 | 147 | 178.1 | -52.5 | -42.9 | 0 | 0 | 0 | 110.6 | K155 L159 N160 L161 | K155-D157 WeakPolarHBondContact CB-OD1 3.4Å; K155-D157 PolarHBondContact O-N 2.95Å; D157-L159 PolarHBondContact O-N 3.2Å; D157-L159 VanDerWaalsContact O-N 3.14Å; D157-N160 HydrophobicContact CB-CB 4.44Å; D157-N160 WeakPolarHBondContact O-CA 3.41Å; D157-N160 WeakPolarHBondContact O-CB 3.42Å; D157-N160 PolarHBondContact O-N 2.89Å; D157-N160 PolarHBondContact OD2-ND2 2.73Å; D157-L161 PolarHBondContact O-N 2.95Å | ||
| 158 | Y | 80.8 | Confident | 81.5 | Confident | 215 Ų | 215 | 75.6 Ų | 75.6 | 84% | 0.843 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -52.1 | -39.8 | -179.9 | -77.6 | -83.2 | 0 | 0 | 0 | 113.6 | L161 A162 | Y158-L161 PolarHBondContact O-N 2.99Å; Y158-A162 WeakPolarHBondContact O-CB 3.48Å; Y158-A162 PolarHBondContact O-N 3.04Å |
| 159 | L | 79.4 | Confident | 82.1 | Confident | 152 Ų | 152 | 75.6 Ų | 75.6 | 80% | 0.796 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -68 | -38.1 | 177.5 | -61.8 | 177.6 | 0 | 0 | 0 | 112.3 | D157 S163 | D157-L159 PolarHBondContact O-N 3.2Å; D157-L159 VanDerWaalsContact O-N 3.14Å; L159-S163 WeakPolarHBondContact O-CB 3.29Å; L159-S163 PolarHBondContact O-N 3.35Å; L159-S163 PolarHBondContact O-OG 2.73Å |
| 160 | N | 77.7 | Confident | 82.6 | Confident | 35 Ų | 35 | 75 Ų | 75 | 19% | 0.187 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.3 | -49.3 | 175.1 | -77.2 | -34.5 | 0 | 0 | 0 | 110.5 | R143 K155 D157 S163 | R143-N160 VanDerWaalsContact CD-O 3.25Å; R143-N160 WeakPolarHBondContact CD-O 3.23Å; R143-N160 PolarHBondContact NE-O 3.06Å; R143-N160 PolarHBondContact NH2-OD1 3.46Å; K155-N160 PolarHBondContact O-ND2 2.81Å; D157-N160 HydrophobicContact CB-CB 4.44Å; D157-N160 WeakPolarHBondContact O-CA 3.41Å; D157-N160 WeakPolarHBondContact O-CB 3.42Å; D157-N160 PolarHBondContact O-N 2.89Å; D157-N160 PolarHBondContact OD2-ND2 2.73Å; N160-S163 PolarHBondContact O-OG 3.13Å |
| 161 | L | 82 | Confident | 83.5 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 16% | 0.157 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.4 | -43.7 | -178.6 | -62.9 | 177.5 | 0 | 0 | 0 | 112.2 | W144 A147 P156 D157 Y158 S163 S164 | W144-L161 HydrophobicContact CD2-CD2 3.88Å; W144-L161 HydrophobicContact CE3-CD2 3.92Å; W144-L161 HydrophobicContact CG-CD2 4.39Å; W144-L161 HydrophobicContact CH2-CB 4.33Å; W144-L161 HydrophobicContact CH2-CD1 4.19Å; W144-L161 HydrophobicContact CH2-CD2 4.35Å; W144-L161 HydrophobicContact CZ2-CB 4.12Å; W144-L161 HydrophobicContact CZ2-CD2 4.31Å; W144-L161 HydrophobicContact CZ3-CD1 4.16Å; W144-L161 HydrophobicContact CZ3-CD2 4.16Å; A147-L161 HydrophobicContact CB-CD2 4.28Å; P156-L161 HydrophobicContact CB-CD1 4.13Å; D157-L161 PolarHBondContact O-N 2.95Å; Y158-L161 PolarHBondContact O-N 2.99Å; L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 3Å; L161-S164 VanDerWaalsContact O-CB 3.31Å; L161-S164 WeakPolarHBondContact O-CB 3.46Å; L161-S164 PolarHBondContact O-N 3Å; L161-S164 VanDerWaalsContact O-N 3.09Å; L161-S164 PolarHBondContact O-OG 3.14Å |
| 162 | A | 84.6 | Confident | 84.5 | Confident | 55 Ų | 55 | 68.9 Ų | 68.9 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -37 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y158 S164 I165 | Y158-A162 WeakPolarHBondContact O-CB 3.48Å; Y158-A162 PolarHBondContact O-N 3.04Å; A162-S164 PolarHBondContact O-N 2.9Å; A162-I165 WeakPolarHBondContact O-CB 3.35Å; A162-I165 WeakPolarHBondContact O-CG1 3.24Å; A162-I165 PolarHBondContact O-N 3.41Å |
| 163 | S | 82.9 | Confident | 85.6 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.4 | -20.2 | 176.7 | 69.1 | 0 | 0 | 0 | 0 | 114.1 | R143 L159 N160 L161 I165 | R143-S163 PolarHBondContact NE-OG 2.95Å; R143-S163 PolarHBondContact NH1-OG 3Å; R143-S163 PolarHBondContact NH2-OG 3.1Å; L159-S163 WeakPolarHBondContact O-CB 3.29Å; L159-S163 PolarHBondContact O-N 3.35Å; L159-S163 PolarHBondContact O-OG 2.73Å; N160-S163 PolarHBondContact O-OG 3.13Å; L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 3Å; S163-I165 VanDerWaalsContact C-N 3.27Å; S163-I165 PolarHBondContact O-N 3.07Å |
| 164 | S | 84.4 | Confident | 86.9 | Confident | 7 Ų | 7 | 69 Ų | 69 | 5% | 0.049 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -21.3 | 173.2 | 75.7 | 0 | 0 | 0 | 0 | 113.8 | G140 W144 L161 A162 | G140-S164 VanDerWaalsContact CA-O 3.26Å; G140-S164 WeakPolarHBondContact CA-O 3.42Å; G140-S164 WeakPolarHBondContact O-CB 3.39Å; W144-S164 PolarHBondContact NE1-OG 3Å; L161-S164 VanDerWaalsContact O-CB 3.31Å; L161-S164 WeakPolarHBondContact O-CB 3.46Å; L161-S164 PolarHBondContact O-N 3Å; L161-S164 VanDerWaalsContact O-N 3.09Å; L161-S164 PolarHBondContact O-OG 3.14Å; A162-S164 PolarHBondContact O-N 2.9Å |
| 165 | I | 90.3 | Very high | 88 | Confident | 65 Ų | 65 | 72.2 Ų | 72.2 | 33% | 0.333 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -80.9 | -24.2 | -175.2 | -41.6 | 174.9 | 0 | 0 | 0 | 110.4 | A162 S163 L168 F169 | A162-I165 WeakPolarHBondContact O-CB 3.35Å; A162-I165 WeakPolarHBondContact O-CG1 3.24Å; A162-I165 PolarHBondContact O-N 3.41Å; S163-I165 VanDerWaalsContact C-N 3.27Å; S163-I165 PolarHBondContact O-N 3.07Å; I165-L168 HydrophobicContact CG2-CD2 4.47Å; I165-L168 WeakPolarHBondContact O-CB 3.48Å; I165-L168 PolarHBondContact O-N 2.8Å; I165-L168 VanDerWaalsContact O-N 3.14Å; I165-F169 HydrophobicContact CB-CD2 4.37Å; I165-F169 HydrophobicContact CB-CE2 4.22Å; I165-F169 HydrophobicContact CG2-CD2 3.67Å; I165-F169 HydrophobicContact CG2-CE2 3.36Å; I165-F169 HydrophobicContact CG2-CZ 4.14Å; I165-F169 VanDerWaalsContact O-CD2 3.29Å; I165-F169 WeakPolarHBondContact O-CD2 3.48Å; I165-F169 PolarHBondContact O-N 3.29Å |
| 166 | A | 90.8 | Very high | 89.1 | Confident | 30 Ų | 30 | 70.4 Ų | 70.4 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.2 | -55.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L168 F169 F170 I194 | A166-L168 VanDerWaalsContact C-N 3.25Å; A166-L168 PolarHBondContact O-N 3.37Å; A166-F169 PolarHBondContact O-N 2.87Å; A166-F169 VanDerWaalsContact O-N 3.13Å; A166-F170 VanDerWaalsContact O-CD2 3.3Å; A166-F170 WeakPolarHBondContact O-CD2 3.44Å; A166-F170 PolarHBondContact O-N 3.25Å; A166-I194 HydrophobicContact CB-CG2 4.23Å |
| 167 | P | 91.5 | Very high | 89.9 | Confident | 6 Ų | 6 | 68.3 Ų | 68.3 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.4 | -37 | 173.3 | -28.1 | 35.7 | 0 | 0 | 0 | 114.5 | L136 F170 S171 A195 | L136-P167 HydrophobicContact CB-CB 4.49Å; L136-P167 HydrophobicContact CG-CB 4.43Å; L136-P167 VanDerWaalsContact O-CB 3.3Å; L136-P167 WeakPolarHBondContact O-CB 3.13Å; P167-F170 PolarHBondContact O-N 3.05Å; P167-S171 PolarHBondContact O-N 3.31Å; P167-S171 VanDerWaalsContact O-N 3.08Å; P167-A195 HydrophobicContact CG-CB 4.26Å |
| 168 | L | 93.5 | Very high | 90.4 | Very high | 83 Ų | 83 | 66 Ų | 66 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 178 | 178.5 | 63.8 | 0 | 0 | 0 | 112.1 | S137 I165 A166 S171 W172 | S137-L168 WeakPolarHBondContact OG-CD1 3.37Å; I165-L168 HydrophobicContact CG2-CD2 4.47Å; I165-L168 WeakPolarHBondContact O-CB 3.48Å; I165-L168 PolarHBondContact O-N 2.8Å; I165-L168 VanDerWaalsContact O-N 3.14Å; A166-L168 VanDerWaalsContact C-N 3.25Å; A166-L168 PolarHBondContact O-N 3.37Å; L168-S171 WeakPolarHBondContact O-CB 3.36Å; L168-S171 PolarHBondContact O-N 2.73Å; L168-W172 PolarHBondContact O-N 3.32Å |
| 169 | F | 95.3 | Very high | 90.9 | Very high | 119 Ų | 119 | 64.9 Ų | 64.9 | 52% | 0.522 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 175.2 | -82.9 | -65 | 0 | 0 | 0 | 112.3 | I165 A166 S171 W172 F173 | I165-F169 HydrophobicContact CB-CD2 4.37Å; I165-F169 HydrophobicContact CB-CE2 4.22Å; I165-F169 HydrophobicContact CG2-CD2 3.67Å; I165-F169 HydrophobicContact CG2-CE2 3.36Å; I165-F169 HydrophobicContact CG2-CZ 4.14Å; I165-F169 VanDerWaalsContact O-CD2 3.29Å; I165-F169 WeakPolarHBondContact O-CD2 3.48Å; I165-F169 PolarHBondContact O-N 3.29Å; A166-F169 PolarHBondContact O-N 2.87Å; A166-F169 VanDerWaalsContact O-N 3.13Å; F169-S171 PolarHBondContact O-N 2.88Å; F169-W172 HydrophobicContact CD1-CE3 4.13Å; F169-W172 HydrophobicContact CD1-CZ3 4.44Å; F169-W172 PolarHBondContact O-N 3.46Å; F169-F173 VanDerWaalsContact O-CB 3.3Å; F169-F173 WeakPolarHBondContact O-CB 3.48Å; F169-F173 PolarHBondContact O-N 3.18Å |
| 170 | F | 96.3 | Very high | 91.6 | Very high | 60 Ų | 60 | 65.1 Ų | 65.1 | 26% | 0.263 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 176.3 | -77.6 | -86 | 0 | 0 | 0 | 112.2 | L136 A166 P167 A174 T187 M190 I194 | L136-F170 HydrophobicContact CD2-CB 3.92Å; A166-F170 VanDerWaalsContact O-CD2 3.3Å; A166-F170 WeakPolarHBondContact O-CD2 3.44Å; A166-F170 PolarHBondContact O-N 3.25Å; P167-F170 PolarHBondContact O-N 3.05Å; F170-A174 VanDerWaalsContact O-CB 3.3Å; F170-A174 WeakPolarHBondContact O-CB 3.29Å; F170-A174 PolarHBondContact O-N 3.35Å; F170-T187 HydrophobicContact CB-CG2 4.43Å; F170-T187 HydrophobicContact CD1-CG2 3.87Å; F170-T187 WeakPolarHBondContact CD1-O 3.49Å; F170-T187 WeakPolarHBondContact O-CG2 3.3Å; F170-M190 HydrophobicContact CD1-CB 4.22Å; F170-M190 HydrophobicContact CE1-CB 3.92Å; F170-I194 HydrophobicContact CD2-CD1 4.08Å; F170-I194 HydrophobicContact CE1-CD1 4.25Å; F170-I194 HydrophobicContact CE2-CD1 3.25Å; F170-I194 HydrophobicContact CZ-CD1 3.36Å |
| 171 | S | 96.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.028 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.6 | -52.2 | 172.3 | 168.6 | 0 | 0 | 0 | 0 | 112.2 | A133 S137 P167 L168 F169 F173 A174 F175 | A133-S171 VanDerWaalsContact C-OG 3.28Å; A133-S171 WeakPolarHBondContact O-CB 3.43Å; A133-S171 PolarHBondContact O-OG 3.15Å; S137-S171 VanDerWaalsContact OG-CB 3.25Å; S137-S171 WeakPolarHBondContact OG-CB 3.5Å; S137-S171 PolarHBondContact OG-OG 3.03Å; P167-S171 PolarHBondContact O-N 3.31Å; P167-S171 VanDerWaalsContact O-N 3.08Å; L168-S171 WeakPolarHBondContact O-CB 3.36Å; L168-S171 PolarHBondContact O-N 2.73Å; F169-S171 PolarHBondContact O-N 2.88Å; S171-F173 PolarHBondContact O-N 3.35Å; S171-A174 PolarHBondContact O-N 3Å; S171-F175 WeakPolarHBondContact O-CD2 3.37Å; S171-F175 PolarHBondContact O-N 3.28Å |
| 172 | W | 97.3 | Very high | 92.9 | Very high | 153 Ų | 153 | 64.9 Ų | 64.9 | 58% | 0.58 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61 | -45 | -179.5 | 177 | 55 | 0 | 0 | 0 | 111.7 | L168 F169 A174 F175 L176 | L168-W172 PolarHBondContact O-N 3.32Å; F169-W172 HydrophobicContact CD1-CE3 4.13Å; F169-W172 HydrophobicContact CD1-CZ3 4.44Å; F169-W172 PolarHBondContact O-N 3.46Å; W172-A174 PolarHBondContact O-N 3.24Å; W172-F175 PolarHBondContact O-N 3.34Å; W172-L176 HydrophobicContact CD2-CD1 4.09Å; W172-L176 HydrophobicContact CE3-CD1 4.39Å; W172-L176 HydrophobicContact CH2-CD1 4.16Å; W172-L176 HydrophobicContact CZ2-CD1 3.83Å; W172-L176 HydrophobicContact CZ3-CD1 4.42Å; W172-L176 WeakPolarHBondContact O-CG 3.24Å; W172-L176 PolarHBondContact O-N 3.11Å; W172-L176 VanDerWaalsContact O-N 3.11Å |
| 173 | F | 96.9 | Very high | 93.4 | Very high | 105 Ų | 105 | 65.7 Ų | 65.7 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 178.4 | -163.7 | -103.2 | 0 | 0 | 0 | 112.4 | F169 S171 F175 L176 I177 T187 | F169-F173 VanDerWaalsContact O-CB 3.3Å; F169-F173 WeakPolarHBondContact O-CB 3.48Å; F169-F173 PolarHBondContact O-N 3.18Å; S171-F173 PolarHBondContact O-N 3.35Å; F173-F175 VanDerWaalsContact C-N 3.28Å; F173-F175 PolarHBondContact O-N 2.85Å; F173-L176 HydrophobicContact CD2-CD1 4.44Å; F173-L176 WeakPolarHBondContact O-CB 3.49Å; F173-L176 PolarHBondContact O-N 3.45Å; F173-L176 VanDerWaalsContact O-N 3.13Å; F173-I177 HydrophobicContact CD1-CD1 4.01Å; F173-I177 HydrophobicContact CD1-CG2 4.42Å; F173-I177 HydrophobicContact CE1-CD1 3.88Å; F173-I177 HydrophobicContact CE1-CG2 3.99Å; F173-I177 HydrophobicContact CZ-CG2 4.07Å; F173-I177 WeakPolarHBondContact O-CG1 3.08Å; F173-I177 PolarHBondContact O-N 2.65Å; F173-I177 VanDerWaalsContact O-N 3.07Å; F173-T187 HydrophobicContact CB-CG2 4.31Å; F173-T187 HydrophobicContact CD1-CG2 3.92Å |
| 174 | A | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -36.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M129 F170 S171 W172 S178 A184 T187 V188 | M129-A174 HydrophobicContact SD-CB 4.32Å; F170-A174 VanDerWaalsContact O-CB 3.3Å; F170-A174 WeakPolarHBondContact O-CB 3.29Å; F170-A174 PolarHBondContact O-N 3.35Å; S171-A174 PolarHBondContact O-N 3Å; W172-A174 PolarHBondContact O-N 3.24Å; A174-S178 PolarHBondContact O-N 3.24Å; A174-A184 WeakPolarHBondContact O-CB 3.32Å; A174-T187 HydrophobicContact CB-CG2 4.02Å; A174-V188 HydrophobicContact CB-CG2 3.66Å |
| 175 | F | 96.9 | Very high | 94.6 | Very high | 80 Ų | 80 | 64.6 Ų | 64.6 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.2 | -40.2 | 172.6 | -80.1 | -65.9 | 0 | 0 | 0 | 112.9 | A130 A133 S171 W172 F173 I177 S178 | A130-F175 HydrophobicContact CB-CE1 3.89Å; A130-F175 HydrophobicContact CB-CZ 4.01Å; A133-F175 HydrophobicContact CB-CD2 3.95Å; A133-F175 HydrophobicContact CB-CE2 3.43Å; A133-F175 VanDerWaalsContact CB-CE2 3.43Å; A133-F175 HydrophobicContact CB-CZ 3.97Å; S171-F175 WeakPolarHBondContact O-CD2 3.37Å; S171-F175 PolarHBondContact O-N 3.28Å; W172-F175 PolarHBondContact O-N 3.34Å; F173-F175 VanDerWaalsContact C-N 3.28Å; F173-F175 PolarHBondContact O-N 2.85Å; F175-I177 VanDerWaalsContact C-N 3.27Å; F175-I177 PolarHBondContact O-N 3.14Å; F175-S178 VanDerWaalsContact O-CB 3.23Å; F175-S178 WeakPolarHBondContact O-CB 3.5Å; F175-S178 PolarHBondContact O-N 3.07Å; F175-S178 PolarHBondContact O-OG 3.41Å |
| 176 | L | 96.7 | Very high | 95 | Very high | 102 Ų | 102 | 64.5 Ų | 64.5 | 53% | 0.534 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.1 | -36.3 | 176.6 | -68.2 | 176.9 | 0 | 0 | 0 | 112.6 | W172 F173 | W172-L176 HydrophobicContact CD2-CD1 4.09Å; W172-L176 HydrophobicContact CE3-CD1 4.39Å; W172-L176 HydrophobicContact CH2-CD1 4.16Å; W172-L176 HydrophobicContact CZ2-CD1 3.83Å; W172-L176 HydrophobicContact CZ3-CD1 4.42Å; W172-L176 WeakPolarHBondContact O-CG 3.24Å; W172-L176 PolarHBondContact O-N 3.11Å; W172-L176 VanDerWaalsContact O-N 3.11Å; F173-L176 HydrophobicContact CD2-CD1 4.44Å; F173-L176 WeakPolarHBondContact O-CB 3.49Å; F173-L176 PolarHBondContact O-N 3.45Å; F173-L176 VanDerWaalsContact O-N 3.13Å |
| 177 | I | 95.5 | Very high | 95.3 | Very high | 34 Ų | 34 | 63.9 Ų | 63.9 | 17% | 0.174 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 16.1 | 178.8 | 72.6 | -178.4 | 0 | 0 | 0 | 113.4 | F173 F175 E179 R180 E183 A184 T187 | F173-I177 HydrophobicContact CD1-CD1 4.01Å; F173-I177 HydrophobicContact CD1-CG2 4.42Å; F173-I177 HydrophobicContact CE1-CD1 3.88Å; F173-I177 HydrophobicContact CE1-CG2 3.99Å; F173-I177 HydrophobicContact CZ-CG2 4.07Å; F173-I177 WeakPolarHBondContact O-CG1 3.08Å; F173-I177 PolarHBondContact O-N 2.65Å; F173-I177 VanDerWaalsContact O-N 3.07Å; F175-I177 VanDerWaalsContact C-N 3.27Å; F175-I177 PolarHBondContact O-N 3.14Å; I177-E179 PolarHBondContact O-N 2.83Å; I177-E179 VanDerWaalsContact O-N 3.14Å; I177-R180 CarbonylContact O-C 3.44Å; I177-R180 WeakPolarHBondContact O-CA 3.36Å; I177-R180 PolarHBondContact O-N 3.43Å; I177-E183 HydrophobicContact CD1-CB 3.95Å; I177-A184 HydrophobicContact CG1-CB 4.05Å; I177-T187 WeakPolarHBondContact CD1-OG1 3.5Å |
| 178 | S | 92.7 | Very high | 95.6 | Very high | 33 Ų | 33 | 63.6 Ų | 63.6 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.7 | -171.5 | 57.1 | 0 | 0 | 0 | 0 | 115 | A174 F175 R180 L181 | A174-S178 PolarHBondContact O-N 3.24Å; F175-S178 VanDerWaalsContact O-CB 3.23Å; F175-S178 WeakPolarHBondContact O-CB 3.5Å; F175-S178 PolarHBondContact O-N 3.07Å; F175-S178 PolarHBondContact O-OG 3.41Å; S178-R180 PolarHBondContact O-N 3.32Å; S178-L181 PolarHBondContact O-N 3.36Å |
| 179 | E | 91.3 | Very high | 95.7 | Very high | 192 Ų | 192 | 61.3 Ų | 61.3 | 90% | 0.897 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -37.6 | 168.4 | -61.4 | -174.8 | 171.7 | 0 | 0 | 111.9 | I177 L181 | I177-E179 PolarHBondContact O-N 2.83Å; I177-E179 VanDerWaalsContact O-N 3.14Å; E179-L181 VanDerWaalsContact C-N 3.33Å; E179-L181 PolarHBondContact O-N 2.94Å |
| 180 | R | 93.3 | Very high | 95.8 | Very high | 157 Ų | 157 | 60.9 Ų | 60.9 | 59% | 0.592 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -94.4 | 63.1 | 176 | -64.1 | 173.3 | 69.1 | 178.4 | -1.3 | 109.1 | I177 S178 S182 E183 A184 | I177-R180 CarbonylContact O-C 3.44Å; I177-R180 WeakPolarHBondContact O-CA 3.36Å; I177-R180 PolarHBondContact O-N 3.43Å; S178-R180 PolarHBondContact O-N 3.32Å; R180-S182 PolarHBondContact O-N 3.24Å; R180-E183 HydrophobicContact CB-CB 4.41Å; R180-E183 VanDerWaalsContact CZ-CD 3.41Å; R180-E183 IonicContact CZ-OE1 3.12Å; R180-E183 IonicContact CZ-OE2 2.92Å; R180-E183 IonicContact NE-OE1 2.8Å; R180-E183 PolarHBondContact NE-OE1 2.82Å; R180-E183 IonicContact NE-OE2 3.01Å; R180-E183 PolarHBondContact NE-OE2 2.84Å; R180-E183 IonicContact NH1-OE2 3.64Å; R180-E183 IonicContact NH2-OE1 2.74Å; R180-E183 PolarHBondContact NH2-OE1 3.28Å; R180-E183 IonicContact NH2-OE2 2.89Å; R180-E183 PolarHBondContact NH2-OE2 2.89Å; R180-E183 WeakPolarHBondContact O-CB 3.49Å; R180-E183 PolarHBondContact O-N 2.96Å; R180-A184 PolarHBondContact O-N 2.89Å |
| 181 | L | 93.4 | Very high | 95.8 | Very high | 20 Ų | 20 | 58 Ų | 58 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -50.2 | -31.6 | -169.3 | -178.5 | 58.3 | 0 | 0 | 0 | 115.3 | P122 A125 F126 M129 S178 E179 E183 I185 | P122-L181 WeakPolarHBondContact O-CD2 3.42Å; A125-L181 HydrophobicContact CB-CD2 3.94Å; F126-L181 HydrophobicContact CB-CD1 4.31Å; F126-L181 HydrophobicContact CB-CD2 4.16Å; F126-L181 HydrophobicContact CD2-CD1 4.44Å; M129-L181 HydrophobicContact CB-CD1 4Å; M129-L181 HydrophobicContact CE-CD1 4.08Å; M129-L181 HydrophobicContact CG-CD1 4.15Å; S178-L181 PolarHBondContact O-N 3.36Å; E179-L181 VanDerWaalsContact C-N 3.33Å; E179-L181 PolarHBondContact O-N 2.94Å; L181-E183 VanDerWaalsContact C-N 3.32Å; L181-E183 PolarHBondContact O-N 3.36Å; L181-I185 HydrophobicContact CD1-CD1 4.11Å; L181-I185 HydrophobicContact CD1-CG1 4.22Å; L181-I185 HydrophobicContact CG-CD1 4.05Å; L181-I185 WeakPolarHBondContact O-CB 3.44Å; L181-I185 WeakPolarHBondContact O-CD1 3.49Å; L181-I185 VanDerWaalsContact O-CG1 3.29Å; L181-I185 WeakPolarHBondContact O-CG1 3.37Å; L181-I185 PolarHBondContact O-N 3.01Å |
| 182 | S | 93.8 | Very high | 95.8 | Very high | 39 Ų | 39 | 57.8 Ų | 57.8 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.9 | -43.9 | 172.9 | -53.9 | 0 | 0 | 0 | 0 | 112.4 | R180 I185 V186 K232 | R180-S182 PolarHBondContact O-N 3.24Å; S182-I185 PolarHBondContact O-N 2.74Å; S182-V186 WeakPolarHBondContact O-CG2 3.19Å; S182-V186 PolarHBondContact O-N 3.47Å; S182-K232 WeakPolarHBondContact OG-CE 3.27Å; S182-K232 PolarHBondContact OG-NZ 2.95Å |
| 183 | E | 95.7 | Very high | 95.7 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 34% | 0.341 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -81.9 | -32.4 | -174.6 | -65.9 | 160.9 | -131.2 | 0 | 0 | 111.4 | I177 R180 L181 I185 V186 T187 | I177-E183 HydrophobicContact CD1-CB 3.95Å; R180-E183 HydrophobicContact CB-CB 4.41Å; R180-E183 VanDerWaalsContact CZ-CD 3.41Å; R180-E183 IonicContact CZ-OE1 3.12Å; R180-E183 IonicContact CZ-OE2 2.92Å; R180-E183 IonicContact NE-OE1 2.8Å; R180-E183 PolarHBondContact NE-OE1 2.82Å; R180-E183 IonicContact NE-OE2 3.01Å; R180-E183 PolarHBondContact NE-OE2 2.84Å; R180-E183 IonicContact NH1-OE2 3.64Å; R180-E183 IonicContact NH2-OE1 2.74Å; R180-E183 PolarHBondContact NH2-OE1 3.28Å; R180-E183 IonicContact NH2-OE2 2.89Å; R180-E183 PolarHBondContact NH2-OE2 2.89Å; R180-E183 WeakPolarHBondContact O-CB 3.49Å; R180-E183 PolarHBondContact O-N 2.96Å; L181-E183 VanDerWaalsContact C-N 3.32Å; L181-E183 PolarHBondContact O-N 3.36Å; E183-I185 VanDerWaalsContact C-N 3.34Å; E183-V186 PolarHBondContact O-N 2.83Å; E183-T187 VanDerWaalsContact O-CB 3.31Å; E183-T187 WeakPolarHBondContact O-CB 3.19Å; E183-T187 PolarHBondContact O-N 2.96Å; E183-T187 PolarHBondContact O-OG1 3.47Å |
| 184 | A | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111 | M129 A174 I177 R180 T187 V188 | M129-A184 HydrophobicContact CE-CB 4.27Å; M129-A184 HydrophobicContact CG-CB 3.93Å; M129-A184 HydrophobicContact SD-CB 4.07Å; A174-A184 WeakPolarHBondContact O-CB 3.32Å; I177-A184 HydrophobicContact CG1-CB 4.05Å; R180-A184 PolarHBondContact O-N 2.89Å; A184-T187 WeakPolarHBondContact O-CB 3.47Å; A184-T187 PolarHBondContact O-N 2.96Å; A184-V188 WeakPolarHBondContact O-CG2 3.25Å; A184-V188 PolarHBondContact O-N 2.92Å |
| 185 | I | 96.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.4 | -71.7 | 165.9 | 0 | 0 | 0 | 111.4 | A125 M129 L181 S182 E183 T187 V188 I189 F225 T228 | A125-I185 HydrophobicContact CB-CD1 4.19Å; M129-I185 HydrophobicContact CB-CG1 4.03Å; M129-I185 HydrophobicContact CG-CG1 4.14Å; L181-I185 HydrophobicContact CD1-CD1 4.11Å; L181-I185 HydrophobicContact CD1-CG1 4.22Å; L181-I185 HydrophobicContact CG-CD1 4.05Å; L181-I185 WeakPolarHBondContact O-CB 3.44Å; L181-I185 WeakPolarHBondContact O-CD1 3.49Å; L181-I185 VanDerWaalsContact O-CG1 3.29Å; L181-I185 WeakPolarHBondContact O-CG1 3.37Å; L181-I185 PolarHBondContact O-N 3.01Å; S182-I185 PolarHBondContact O-N 2.74Å; E183-I185 VanDerWaalsContact C-N 3.34Å; I185-T187 VanDerWaalsContact C-N 3.29Å; I185-T187 PolarHBondContact O-N 2.8Å; I185-V188 PolarHBondContact O-N 2.97Å; I185-I189 HydrophobicContact CG2-CD1 3.97Å; I185-I189 WeakPolarHBondContact O-CG1 3.28Å; I185-I189 PolarHBondContact O-N 3.17Å; I185-F225 HydrophobicContact CG2-CD1 3.95Å; I185-T228 HydrophobicContact CD1-CG2 4.35Å |
| 186 | V | 97.1 | Very high | 95.1 | Very high | 62 Ų | 62 | 47.3 Ų | 47.3 | 38% | 0.376 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61 | -39 | 176.6 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | S182 E183 I189 M190 F229 | S182-V186 WeakPolarHBondContact O-CG2 3.19Å; S182-V186 PolarHBondContact O-N 3.47Å; E183-V186 PolarHBondContact O-N 2.83Å; V186-I189 WeakPolarHBondContact O-CB 3.38Å; V186-I189 PolarHBondContact O-N 2.74Å; V186-M190 WeakPolarHBondContact O-CG 3.23Å; V186-M190 PolarHBondContact O-N 2.88Å; V186-F229 HydrophobicContact CG2-CD2 4.09Å; V186-F229 HydrophobicContact CG2-CE2 3.65Å; V186-F229 HydrophobicContact CG2-CZ 4.39Å |
| 187 | T | 97.4 | Very high | 94.8 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 175.8 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | F170 F173 A174 I177 E183 A184 I185 M190 G191 | F170-T187 HydrophobicContact CB-CG2 4.43Å; F170-T187 HydrophobicContact CD1-CG2 3.87Å; F170-T187 WeakPolarHBondContact CD1-O 3.49Å; F170-T187 WeakPolarHBondContact O-CG2 3.3Å; F173-T187 HydrophobicContact CB-CG2 4.31Å; F173-T187 HydrophobicContact CD1-CG2 3.92Å; A174-T187 HydrophobicContact CB-CG2 4.02Å; I177-T187 WeakPolarHBondContact CD1-OG1 3.5Å; E183-T187 VanDerWaalsContact O-CB 3.31Å; E183-T187 WeakPolarHBondContact O-CB 3.19Å; E183-T187 PolarHBondContact O-N 2.96Å; E183-T187 PolarHBondContact O-OG1 3.47Å; A184-T187 WeakPolarHBondContact O-CB 3.47Å; A184-T187 PolarHBondContact O-N 2.96Å; I185-T187 VanDerWaalsContact C-N 3.29Å; I185-T187 PolarHBondContact O-N 2.8Å; T187-M190 PolarHBondContact O-N 3.22Å; T187-G191 PolarHBondContact O-N 2.74Å |
| 188 | V | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 173.5 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | M129 A133 A174 A184 I185 G191 M192 F225 | M129-V188 HydrophobicContact CG-CG2 4.23Å; A133-V188 HydrophobicContact CB-CG2 4.33Å; A174-V188 HydrophobicContact CB-CG2 3.66Å; A184-V188 WeakPolarHBondContact O-CG2 3.25Å; A184-V188 PolarHBondContact O-N 2.92Å; I185-V188 PolarHBondContact O-N 2.97Å; V188-G191 PolarHBondContact O-N 3.1Å; V188-M192 HydrophobicContact CG1-CG 4.36Å; V188-M192 WeakPolarHBondContact O-CB 3.24Å; V188-M192 VanDerWaalsContact O-CG 3.3Å; V188-M192 WeakPolarHBondContact O-CG 3.46Å; V188-M192 PolarHBondContact O-N 3.35Å; V188-F225 HydrophobicContact CB-CZ 4.48Å; V188-F225 HydrophobicContact CG1-CD2 4.09Å; V188-F225 HydrophobicContact CG1-CE1 4.41Å; V188-F225 HydrophobicContact CG1-CE2 3.47Å; V188-F225 VanDerWaalsContact CG1-CE2 3.47Å; V188-F225 HydrophobicContact CG1-CZ 3.66Å |
| 189 | I | 97.4 | Very high | 94.1 | Very high | 35 Ų | 35 | 46 Ų | 46 | 18% | 0.179 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | 174.3 | -68.1 | 166.5 | 0 | 0 | 0 | 110.9 | I185 V186 M192 G193 T222 F225 | I185-I189 HydrophobicContact CG2-CD1 3.97Å; I185-I189 WeakPolarHBondContact O-CG1 3.28Å; I185-I189 PolarHBondContact O-N 3.17Å; V186-I189 WeakPolarHBondContact O-CB 3.38Å; V186-I189 PolarHBondContact O-N 2.74Å; I189-M192 WeakPolarHBondContact O-CB 3.14Å; I189-M192 PolarHBondContact O-N 3.34Å; I189-G193 PolarHBondContact O-N 3.14Å; I189-T222 HydrophobicContact CG2-CG2 4.47Å; I189-F225 HydrophobicContact CD1-CB 3.92Å; I189-F225 HydrophobicContact CG1-CB 3.59Å; I189-F225 HydrophobicContact CG1-CG 4.31Å |
| 190 | M | 96.9 | Very high | 93.7 | Very high | 109 Ų | 109 | 41 Ų | 41 | 54% | 0.537 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 177.2 | -69.7 | -60.7 | -66 | 0 | 0 | 111.9 | F170 V186 T187 G193 I194 | F170-M190 HydrophobicContact CD1-CB 4.22Å; F170-M190 HydrophobicContact CE1-CB 3.92Å; V186-M190 WeakPolarHBondContact O-CG 3.23Å; V186-M190 PolarHBondContact O-N 2.88Å; T187-M190 PolarHBondContact O-N 3.22Å; M190-G193 PolarHBondContact O-N 3.18Å; M190-I194 WeakPolarHBondContact O-CG1 3.2Å; M190-I194 PolarHBondContact O-N 3.18Å |
| 191 | G | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.8 | -35.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T187 V188 I194 A195 | T187-G191 PolarHBondContact O-N 2.74Å; V188-G191 PolarHBondContact O-N 3.1Å; G191-I194 PolarHBondContact O-N 3.31Å; G191-A195 WeakPolarHBondContact O-CB 3.46Å; G191-A195 PolarHBondContact O-N 3.41Å |
| 192 | M | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 170.2 | -76.6 | -72.5 | -173 | 0 | 0 | 111.5 | F107 F135 L136 V188 I189 I194 A195 L196 T218 A221 T222 F225 | F107-M192 HydrophobicContact CE1-CE 3.78Å; F107-M192 HydrophobicContact CZ-CE 3.72Å; F135-M192 HydrophobicContact CD1-CE 3.66Å; F135-M192 HydrophobicContact CD1-SD 4.19Å; F135-M192 HydrophobicContact CE1-CE 4.25Å; F135-M192 HydrophobicContact CE1-SD 4.35Å; L136-M192 HydrophobicContact CD1-CE 3.67Å; L136-M192 HydrophobicContact CD1-CG 3.67Å; L136-M192 HydrophobicContact CD1-SD 3.48Å; L136-M192 WeakPolarHBondContact CD1-SD 3.3Å; V188-M192 HydrophobicContact CG1-CG 4.36Å; V188-M192 WeakPolarHBondContact O-CB 3.24Å; V188-M192 VanDerWaalsContact O-CG 3.3Å; V188-M192 WeakPolarHBondContact O-CG 3.46Å; V188-M192 PolarHBondContact O-N 3.35Å; I189-M192 WeakPolarHBondContact O-CB 3.14Å; I189-M192 PolarHBondContact O-N 3.34Å; M192-I194 VanDerWaalsContact C-N 3.34Å; M192-I194 PolarHBondContact O-N 3.44Å; M192-A195 PolarHBondContact O-N 3.29Å; M192-L196 VanDerWaalsContact O-CB 3.29Å; M192-L196 WeakPolarHBondContact O-CB 3.37Å; M192-L196 PolarHBondContact O-N 3.09Å; M192-T218 HydrophobicContact SD-CG2 4.4Å; M192-A221 HydrophobicContact CE-CB 3.63Å; M192-A221 HydrophobicContact SD-CB 4.19Å; M192-T222 WeakPolarHBondContact CB-OG1 3.37Å; M192-F225 HydrophobicContact CE-CE2 4.2Å |
| 193 | G | 95.1 | Very high | 90.3 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 37% | 0.371 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.8 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | I189 M190 H197 | I189-G193 PolarHBondContact O-N 3.14Å; M190-G193 PolarHBondContact O-N 3.18Å; G193-H197 WeakPolarHBondContact O-CB 3.37Å; G193-H197 PolarHBondContact O-N 3.34Å |
| 194 | I | 92.9 | Very high | 88.9 | Confident | 49 Ų | 49 | 42 Ų | 42 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.7 | -42.1 | 175.4 | -69.9 | 164 | 0 | 0 | 0 | 111.1 | A166 F170 M190 G191 M192 H197 H198 | A166-I194 HydrophobicContact CB-CG2 4.23Å; F170-I194 HydrophobicContact CD2-CD1 4.08Å; F170-I194 HydrophobicContact CE1-CD1 4.25Å; F170-I194 HydrophobicContact CE2-CD1 3.25Å; F170-I194 HydrophobicContact CZ-CD1 3.36Å; M190-I194 WeakPolarHBondContact O-CG1 3.2Å; M190-I194 PolarHBondContact O-N 3.18Å; G191-I194 PolarHBondContact O-N 3.31Å; M192-I194 VanDerWaalsContact C-N 3.34Å; M192-I194 PolarHBondContact O-N 3.44Å; I194-H197 PolarHBondContact O-N 3.28Å; I194-H198 WeakPolarHBondContact CG2-NE2 3.44Å; I194-H198 PolarHBondContact O-CD2 3.21Å; I194-H198 VanDerWaalsContact O-CD2 3.22Å; I194-H198 VanDerWaalsContact O-CG 3.29Å; I194-H198 PolarHBondContact O-N 3.19Å |
| 195 | A | 92.7 | Very high | 87.7 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61 | -45.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L139 P167 G191 M192 H197 H198 E199 | L139-A195 HydrophobicContact CD1-CB 3.86Å; P167-A195 HydrophobicContact CG-CB 4.26Å; G191-A195 WeakPolarHBondContact O-CB 3.46Å; G191-A195 PolarHBondContact O-N 3.41Å; M192-A195 PolarHBondContact O-N 3.29Å; A195-H197 VanDerWaalsContact C-N 3.35Å; A195-H197 PolarHBondContact O-N 3.25Å; A195-H198 CarbonylContact O-C 3.58Å; A195-H198 WeakPolarHBondContact O-CB 3.39Å; A195-H198 PolarHBondContact O-N 3.19Å; A195-H198 VanDerWaalsContact O-N 3.13Å; A195-E199 WeakPolarHBondContact O-CG 3.43Å; A195-E199 PolarHBondContact O-N 3.18Å |
| 196 | L | 92.6 | Very high | 86.8 | Confident | 29 Ų | 29 | 47.5 Ų | 47.5 | 15% | 0.152 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 175.6 | -178 | 70.2 | 0 | 0 | 0 | 111.5 | M192 H198 E199 F200 V215 T218 L219 | M192-L196 VanDerWaalsContact O-CB 3.29Å; M192-L196 WeakPolarHBondContact O-CB 3.37Å; M192-L196 PolarHBondContact O-N 3.09Å; L196-H198 VanDerWaalsContact C-N 3.35Å; L196-H198 PolarHBondContact O-N 3.14Å; L196-E199 WeakPolarHBondContact O-CB 3.44Å; L196-E199 PolarHBondContact O-N 3.21Å; L196-E199 VanDerWaalsContact O-N 3.17Å; L196-F200 HydrophobicContact CD1-CD2 4.14Å; L196-F200 HydrophobicContact CD1-CE2 3.76Å; L196-F200 HydrophobicContact CG-CD2 4.1Å; L196-F200 HydrophobicContact CG-CE2 4.01Å; L196-F200 WeakPolarHBondContact O-CD2 3.3Å; L196-F200 PolarHBondContact O-N 3.44Å; L196-V215 HydrophobicContact CD1-CB 4.41Å; L196-V215 HydrophobicContact CD1-CG1 4.15Å; L196-V215 HydrophobicContact CD1-CG2 4.37Å; L196-T218 VanDerWaalsContact CD1-OG1 3.28Å; L196-T218 WeakPolarHBondContact CD1-OG1 3.39Å; L196-L219 HydrophobicContact CD1-CD2 4.39Å; L196-L219 HydrophobicContact CD1-CG 4.01Å; L196-L219 HydrophobicContact CD2-CD2 3.69Å; L196-L219 HydrophobicContact CD2-CG 4.22Å |
| 197 | H | 91 | Very high | 86.3 | Confident | 100 Ų | 100 | 47.4 Ų | 47.4 | 46% | 0.463 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 173.6 | 175.9 | -94.8 | 0 | 0 | 0 | 111.7 | G193 I194 A195 E199 F200 F201 | G193-H197 WeakPolarHBondContact O-CB 3.37Å; G193-H197 PolarHBondContact O-N 3.34Å; I194-H197 PolarHBondContact O-N 3.28Å; A195-H197 VanDerWaalsContact C-N 3.35Å; A195-H197 PolarHBondContact O-N 3.25Å; H197-E199 VanDerWaalsContact C-N 3.35Å; H197-E199 PolarHBondContact O-N 3.21Å; H197-F200 PolarHBondContact O-N 3.11Å; H197-F201 AromaticContact CD2-CD2 3.4Å; H197-F201 VanDerWaalsContact CD2-CD2 3.4Å; H197-F201 WeakPolarHBondContact CD2-CD2 3.43Å; H197-F201 AromaticContact CD2-CE2 3.56Å; H197-F201 AromaticContact NE2-CD2 3.4Å; H197-F201 WeakPolarHBondContact NE2-CD2 3.41Å; H197-F201 AromaticContact NE2-CE2 3.7Å; H197-F201 WeakPolarHBondContact O-CD2 3.46Å; H197-F201 PolarHBondContact O-N 3.48Å |
| 198 | H | 86.2 | Confident | 85.8 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 15% | 0.148 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 173.5 | -63.7 | -36.4 | 0 | 0 | 0 | 112.6 | I194 A195 L196 F200 L202 L203 | I194-H198 WeakPolarHBondContact CG2-NE2 3.44Å; I194-H198 PolarHBondContact O-CD2 3.21Å; I194-H198 VanDerWaalsContact O-CD2 3.22Å; I194-H198 VanDerWaalsContact O-CG 3.29Å; I194-H198 PolarHBondContact O-N 3.19Å; A195-H198 CarbonylContact O-C 3.58Å; A195-H198 WeakPolarHBondContact O-CB 3.39Å; A195-H198 PolarHBondContact O-N 3.19Å; A195-H198 VanDerWaalsContact O-N 3.13Å; L196-H198 VanDerWaalsContact C-N 3.35Å; L196-H198 PolarHBondContact O-N 3.14Å; H198-F200 PolarHBondContact O-N 3.13Å; H198-L202 HydrophobicContact CB-CD1 4.34Å; H198-L202 VanDerWaalsContact ND1-CD1 3.32Å; H198-L202 WeakPolarHBondContact ND1-CD1 3.31Å; H198-L202 CarbonylContact O-C 3.56Å; H198-L202 WeakPolarHBondContact O-CA 3.37Å; H198-L202 WeakPolarHBondContact O-CB 3.49Å; H198-L202 PolarHBondContact O-N 3.25Å; H198-L203 WeakPolarHBondContact O-CD1 3.42Å; H198-L203 PolarHBondContact O-N 3.17Å |
| 199 | E | 86.8 | Confident | 85.4 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 174.5 | -72.7 | 175.3 | 163.2 | 0 | 0 | 113.1 | L139 A195 L196 H197 K211 K214 V215 T218 | L139-E199 WeakPolarHBondContact CD2-OE1 3.5Å; A195-E199 WeakPolarHBondContact O-CG 3.43Å; A195-E199 PolarHBondContact O-N 3.18Å; L196-E199 WeakPolarHBondContact O-CB 3.44Å; L196-E199 PolarHBondContact O-N 3.21Å; L196-E199 VanDerWaalsContact O-N 3.17Å; H197-E199 VanDerWaalsContact C-N 3.35Å; H197-E199 PolarHBondContact O-N 3.21Å; E199-K211 WeakPolarHBondContact O-CE 3.46Å; E199-K214 HydrophobicContact CG-CB 4.37Å; E199-K214 WeakPolarHBondContact OE1-CB 3.38Å; E199-K214 VanDerWaalsContact OE1-CD 3.24Å; E199-K214 WeakPolarHBondContact OE1-CD 3.23Å; E199-V215 HydrophobicContact CB-CG2 4.02Å; E199-T218 WeakPolarHBondContact OE1-CG2 3.37Å; E199-T218 WeakPolarHBondContact OE2-CB 3.46Å; E199-T218 VanDerWaalsContact OE2-CG2 3.24Å; E199-T218 WeakPolarHBondContact OE2-CG2 3.36Å; E199-T218 PolarHBondContact OE2-OG1 3.33Å |
| 200 | F | 82.2 | Confident | 85 | Confident | 87 Ų | 87 | 54.8 Ų | 54.8 | 38% | 0.382 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72.4 | -54.1 | 174.4 | -85.2 | -75.9 | 0 | 0 | 0 | 113 | L196 H197 H198 K211 V215 | L196-F200 HydrophobicContact CD1-CD2 4.14Å; L196-F200 HydrophobicContact CD1-CE2 3.76Å; L196-F200 HydrophobicContact CG-CD2 4.1Å; L196-F200 HydrophobicContact CG-CE2 4.01Å; L196-F200 WeakPolarHBondContact O-CD2 3.3Å; L196-F200 PolarHBondContact O-N 3.44Å; H197-F200 PolarHBondContact O-N 3.11Å; H198-F200 PolarHBondContact O-N 3.13Å; F200-K211 WeakPolarHBondContact O-CE 3.38Å; F200-K211 PolarHBondContact O-NZ 3.49Å; F200-V215 HydrophobicContact CD2-CG2 4.21Å; F200-V215 HydrophobicContact CE1-CG1 4.33Å; F200-V215 HydrophobicContact CE1-CG2 4.4Å; F200-V215 HydrophobicContact CE2-CG1 3.71Å; F200-V215 HydrophobicContact CE2-CG2 3.96Å; F200-V215 HydrophobicContact CZ-CB 4.45Å; F200-V215 HydrophobicContact CZ-CG1 3.47Å; F200-V215 VanDerWaalsContact CZ-CG1 3.47Å; F200-V215 HydrophobicContact CZ-CG2 4.06Å |
| 201 | F | 73.7 | Confident | 84.6 | Confident | 142 Ų | 142 | 51.7 Ų | 51.7 | 62% | 0.623 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -92.8 | -31.3 | -166 | -70.9 | -81.3 | 0 | 0 | 0 | 114.6 | H197 | H197-F201 AromaticContact CD2-CD2 3.4Å; H197-F201 VanDerWaalsContact CD2-CD2 3.4Å; H197-F201 WeakPolarHBondContact CD2-CD2 3.43Å; H197-F201 AromaticContact CD2-CE2 3.56Å; H197-F201 AromaticContact NE2-CD2 3.4Å; H197-F201 WeakPolarHBondContact NE2-CD2 3.41Å; H197-F201 AromaticContact NE2-CE2 3.7Å; H197-F201 WeakPolarHBondContact O-CD2 3.46Å; H197-F201 PolarHBondContact O-N 3.48Å |
| 202 | L | 69.5 | Low | 84.3 | Confident | 65 Ų | 65 | 51.7 Ų | 51.7 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -107.9 | 3.3 | -171.8 | -59.3 | -176.6 | 0 | 0 | 0 | 114.4 | H198 P204 | H198-L202 HydrophobicContact CB-CD1 4.34Å; H198-L202 VanDerWaalsContact ND1-CD1 3.32Å; H198-L202 WeakPolarHBondContact ND1-CD1 3.31Å; H198-L202 CarbonylContact O-C 3.56Å; H198-L202 WeakPolarHBondContact O-CA 3.37Å; H198-L202 WeakPolarHBondContact O-CB 3.49Å; H198-L202 PolarHBondContact O-N 3.25Å; L202-P204 VanDerWaalsContact O-CD 3.27Å; L202-P204 WeakPolarHBondContact O-CD 3.46Å |
| 203 | L | 67.5 | Low | 84 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | trans | -108.7 | 57.8 | 166.2 | -80.4 | 77.8 | 0 | 0 | 0 | 111.7 | H198 H205 Y206 F210 K211 | H198-L203 WeakPolarHBondContact O-CD1 3.42Å; H198-L203 PolarHBondContact O-N 3.17Å; L203-H205 VanDerWaalsContact C-N 3.31Å; L203-Y206 HydrophobicContact CB-CD2 3.75Å; L203-Y206 HydrophobicContact CB-CE2 4.25Å; L203-Y206 HydrophobicContact CB-CG 4.18Å; L203-Y206 HydrophobicContact CD1-CE2 4.45Å; L203-Y206 HydrophobicContact CD2-CD1 3.75Å; L203-Y206 HydrophobicContact CD2-CD2 3.73Å; L203-Y206 HydrophobicContact CD2-CE1 3.84Å; L203-Y206 HydrophobicContact CD2-CE2 3.86Å; L203-Y206 HydrophobicContact CD2-CG 3.64Å; L203-Y206 HydrophobicContact CG-CD1 4.41Å; L203-Y206 HydrophobicContact CG-CD2 3.47Å; L203-Y206 VanDerWaalsContact CG-CD2 3.47Å; L203-Y206 HydrophobicContact CG-CE1 4.41Å; L203-Y206 HydrophobicContact CG-CE2 3.51Å; L203-Y206 HydrophobicContact CG-CG 3.93Å; L203-F210 HydrophobicContact CD2-CE1 4.41Å; L203-K211 WeakPolarHBondContact O-CD 3.37Å; L203-K211 PolarHBondContact O-NZ 3.33Å | ||
| 204 | P | 65.9 | Low | 83.8 | Confident | 86 Ų | 86 | 51.4 Ų | 51.4 | 56% | 0.558 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -76.7 | -20.6 | 169.8 | 32.4 | -34.2 | 0 | 0 | 0 | 112.5 | L202 | L202-P204 VanDerWaalsContact O-CD 3.27Å; L202-P204 WeakPolarHBondContact O-CD 3.46Å |
| 205 | H | 71.9 | Confident | 83.8 | Confident | 99 Ų | 99 | 49.3 Ų | 49.3 | 46% | 0.458 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -94.5 | 1 | -173.8 | -69.8 | 120.5 | 0 | 0 | 0 | 115.1 | F146 P153 A154 L203 | F146-H205 HydrophobicContact CE1-CB 4.24Å; F146-H205 WeakPolarHBondContact CZ-O 3.08Å; P153-H205 HydrophobicContact CB-CB 3.98Å; A154-H205 HydrophobicContact CB-CB 4.36Å; L203-H205 VanDerWaalsContact C-N 3.31Å |
| 206 | Y | 77.4 | Confident | 83.8 | Confident | 19 Ų | 19 | 51 Ų | 51 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -95.8 | 153.1 | -176.7 | -76.1 | -114 | 0 | 0 | 0 | 111 | I142 F146 L203 N208 F210 | I142-Y206 HydrophobicContact CG2-CE1 4.46Å; F146-Y206 HydrophobicContact CB-CE1 3.81Å; F146-Y206 HydrophobicContact CB-CE2 4.4Å; F146-Y206 VanDerWaalsContact CB-OH 3.23Å; F146-Y206 WeakPolarHBondContact CB-OH 3.19Å; F146-Y206 HydrophobicContact CD1-CD2 4.06Å; F146-Y206 HydrophobicContact CD1-CE1 4.06Å; F146-Y206 AromaticContact CD1-CE2 3.47Å; F146-Y206 HydrophobicContact CD1-CE2 3.47Å; F146-Y206 VanDerWaalsContact CD1-CE2 3.47Å; F146-Y206 AromaticContact CD1-CZ 3.52Å; F146-Y206 HydrophobicContact CD2-CD1 4.09Å; F146-Y206 AromaticContact CD2-CE1 3.81Å; F146-Y206 HydrophobicContact CD2-CE1 3.81Å; F146-Y206 AromaticContact CE1-CD2 3.96Å; F146-Y206 HydrophobicContact CE1-CD2 3.96Å; F146-Y206 AromaticContact CE1-CE2 3.83Å; F146-Y206 HydrophobicContact CE1-CE2 3.83Å; F146-Y206 HydrophobicContact CE1-CG 4.42Å; F146-Y206 HydrophobicContact CE2-CD1 4.25Å; F146-Y206 HydrophobicContact CE2-CE1 4.4Å; F146-Y206 HydrophobicContact CG-CD1 4.24Å; F146-Y206 AromaticContact CG-CE1 3.61Å; F146-Y206 HydrophobicContact CG-CE1 3.61Å; F146-Y206 AromaticContact CG-CE2 3.92Å; F146-Y206 HydrophobicContact CG-CE2 3.92Å; F146-Y206 AromaticContact CG-CZ 3.46Å; F146-Y206 VanDerWaalsContact CG-CZ 3.46Å; F146-Y206 HydrophobicContact CZ-CD2 4.35Å; F146-Y206 HydrophobicContact CZ-CG 4.38Å; L203-Y206 HydrophobicContact CB-CD2 3.75Å; L203-Y206 HydrophobicContact CB-CE2 4.25Å; L203-Y206 HydrophobicContact CB-CG 4.18Å; L203-Y206 HydrophobicContact CD1-CE2 4.45Å; L203-Y206 HydrophobicContact CD2-CD1 3.75Å; L203-Y206 HydrophobicContact CD2-CD2 3.73Å; L203-Y206 HydrophobicContact CD2-CE1 3.84Å; L203-Y206 HydrophobicContact CD2-CE2 3.86Å; L203-Y206 HydrophobicContact CD2-CG 3.64Å; L203-Y206 HydrophobicContact CG-CD1 4.41Å; L203-Y206 HydrophobicContact CG-CD2 3.47Å; L203-Y206 VanDerWaalsContact CG-CD2 3.47Å; L203-Y206 HydrophobicContact CG-CE1 4.41Å; L203-Y206 HydrophobicContact CG-CE2 3.51Å; L203-Y206 HydrophobicContact CG-CG 3.93Å; Y206-N208 PolarHBondContact O-N 2.94Å; Y206-F210 AromaticContact CD1-CD1 3.54Å; Y206-F210 HydrophobicContact CD1-CD1 3.54Å; Y206-F210 AromaticContact CD1-CE1 3.65Å; Y206-F210 HydrophobicContact CD1-CE1 3.65Å; Y206-F210 HydrophobicContact CE1-CD1 4.19Å; Y206-F210 AromaticContact CE1-CE1 3.81Å; Y206-F210 HydrophobicContact CE1-CE1 3.81Å; Y206-F210 HydrophobicContact CG-CD1 4.41Å |
| 207 | P | 85.3 | Confident | 83.9 | Confident | 60 Ų | 60 | 50 Ų | 50 | 39% | 0.39 | 25% | 0.246 | S | C | . | . | trans | -54.4 | 134.8 | 171.2 | -24.6 | 34.3 | 0 | 0 | 0 | 112 | W209 F210 K211 | P207-W209 VanDerWaalsContact C-N 3.25Å; P207-W209 HydrophobicContact CB-CG 4.37Å; P207-W209 VanDerWaalsContact CB-NE1 3.35Å; P207-W209 PolarHBondContact O-N 3.14Å; P207-F210 HydrophobicContact CB-CB 4.48Å; P207-F210 PolarHBondContact O-N 3.08Å; P207-K211 PolarHBondContact O-N 3.13Å; P207-K211 VanDerWaalsContact O-N 3.11Å | ||
| 208 | N | 87.3 | Confident | 84.1 | Confident | 91 Ų | 91 | 45.2 Ų | 45.2 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.7 | -38.2 | -175.8 | -70.5 | -20.7 | 0 | 0 | 0 | 112.9 | Y88 Y206 F210 K211 A212 | Y88-N208 HydrophobicContact CD1-CB 3.86Å; Y88-N208 HydrophobicContact CD2-CB 4.3Å; Y88-N208 HydrophobicContact CE1-CB 4.21Å; Y88-N208 HydrophobicContact CG-CB 3.89Å; Y206-N208 PolarHBondContact O-N 2.94Å; N208-F210 VanDerWaalsContact C-N 3.33Å; N208-F210 PolarHBondContact O-N 3.41Å; N208-K211 PolarHBondContact O-N 2.93Å; N208-A212 VanDerWaalsContact O-CB 3.24Å; N208-A212 WeakPolarHBondContact O-CB 3.47Å; N208-A212 PolarHBondContact O-N 3.22Å |
| 209 | W | 89 | Confident | 84.5 | Confident | 73 Ų | 73 | 46.5 Ų | 46.5 | 28% | 0.277 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -39.4 | 176.4 | 68.9 | -101.6 | 0 | 0 | 0 | 112.6 | Y88 D91 P93 A96 P207 L213 | Y88-W209 VanDerWaalsContact O-CA 3.32Å; Y88-W209 WeakPolarHBondContact O-CA 3.27Å; Y88-W209 VanDerWaalsContact O-CB 3.23Å; Y88-W209 WeakPolarHBondContact O-CB 3.27Å; D91-W209 HydrophobicContact CB-CB 4.44Å; P93-W209 HydrophobicContact CG-CH2 4.3Å; P93-W209 HydrophobicContact CG-CZ2 4.21Å; A96-W209 HydrophobicContact CB-CZ3 4.18Å; P207-W209 VanDerWaalsContact C-N 3.25Å; P207-W209 HydrophobicContact CB-CG 4.37Å; P207-W209 VanDerWaalsContact CB-NE1 3.35Å; P207-W209 PolarHBondContact O-N 3.14Å; W209-L213 HydrophobicContact CZ3-CD2 4.46Å; W209-L213 VanDerWaalsContact O-CB 3.23Å; W209-L213 WeakPolarHBondContact O-CB 3.49Å; W209-L213 PolarHBondContact O-N 2.88Å |
| 210 | F | 88.5 | Confident | 85 | Confident | 44 Ų | 44 | 49.7 Ų | 49.7 | 19% | 0.193 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.8 | -44.1 | -178.9 | -179 | -97.4 | 0 | 0 | 0 | 110.7 | I142 L203 Y206 P207 N208 A212 L213 K214 | I142-F210 HydrophobicContact CG2-CE1 4.29Å; I142-F210 HydrophobicContact CG2-CZ 4.05Å; L203-F210 HydrophobicContact CD2-CE1 4.41Å; Y206-F210 AromaticContact CD1-CD1 3.54Å; Y206-F210 HydrophobicContact CD1-CD1 3.54Å; Y206-F210 AromaticContact CD1-CE1 3.65Å; Y206-F210 HydrophobicContact CD1-CE1 3.65Å; Y206-F210 HydrophobicContact CE1-CD1 4.19Å; Y206-F210 AromaticContact CE1-CE1 3.81Å; Y206-F210 HydrophobicContact CE1-CE1 3.81Å; Y206-F210 HydrophobicContact CG-CD1 4.41Å; P207-F210 HydrophobicContact CB-CB 4.48Å; P207-F210 PolarHBondContact O-N 3.08Å; N208-F210 VanDerWaalsContact C-N 3.33Å; N208-F210 PolarHBondContact O-N 3.41Å; F210-A212 VanDerWaalsContact C-N 3.32Å; F210-A212 PolarHBondContact O-N 3.28Å; F210-L213 PolarHBondContact O-N 3.22Å; F210-K214 HydrophobicContact CD1-CG 4.23Å; F210-K214 HydrophobicContact CE1-CG 3.88Å; F210-K214 HydrophobicContact CE2-CG 4.46Å; F210-K214 HydrophobicContact CZ-CD 4.48Å; F210-K214 HydrophobicContact CZ-CG 4.02Å; F210-K214 VanDerWaalsContact O-CB 3.29Å; F210-K214 WeakPolarHBondContact O-CB 3.46Å; F210-K214 WeakPolarHBondContact O-CG 3.35Å; F210-K214 PolarHBondContact O-N 3.36Å |
| 211 | K | 88.8 | Confident | 85.7 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 19% | 0.191 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.9 | -45.3 | 173.5 | -177 | 176.8 | -174.3 | 154.3 | 0 | 111.4 | E199 F200 L203 P207 N208 K214 V215 | E199-K211 WeakPolarHBondContact O-CE 3.46Å; F200-K211 WeakPolarHBondContact O-CE 3.38Å; F200-K211 PolarHBondContact O-NZ 3.49Å; L203-K211 WeakPolarHBondContact O-CD 3.37Å; L203-K211 PolarHBondContact O-NZ 3.33Å; P207-K211 PolarHBondContact O-N 3.13Å; P207-K211 VanDerWaalsContact O-N 3.11Å; N208-K211 PolarHBondContact O-N 2.93Å; K211-K214 PolarHBondContact O-N 3.45Å; K211-V215 WeakPolarHBondContact O-CB 3.29Å; K211-V215 WeakPolarHBondContact O-CG2 3.45Å; K211-V215 PolarHBondContact O-N 3.41Å |
| 212 | A | 89.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -47.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T85 I89 N208 F210 K214 V215 V216 | T85-A212 HydrophobicContact CG2-CB 3.64Å; T85-A212 WeakPolarHBondContact O-CB 3.5Å; I89-A212 HydrophobicContact CG1-CB 3.81Å; N208-A212 VanDerWaalsContact O-CB 3.24Å; N208-A212 WeakPolarHBondContact O-CB 3.47Å; N208-A212 PolarHBondContact O-N 3.22Å; F210-A212 VanDerWaalsContact C-N 3.32Å; F210-A212 PolarHBondContact O-N 3.28Å; A212-K214 VanDerWaalsContact C-N 3.28Å; A212-K214 PolarHBondContact O-N 2.82Å; A212-V215 PolarHBondContact O-N 2.87Å; A212-V216 PolarHBondContact O-N 2.96Å |
| 213 | L | 91.1 | Very high | 88.1 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.9 | -43.6 | 175.9 | -178.6 | 62.8 | 0 | 0 | 0 | 111 | T100 W209 F210 V216 V217 | T100-L213 HydrophobicContact CG2-CD1 3.81Å; T100-L213 HydrophobicContact CG2-CD2 4.18Å; T100-L213 HydrophobicContact CG2-CG 3.9Å; W209-L213 HydrophobicContact CZ3-CD2 4.46Å; W209-L213 VanDerWaalsContact O-CB 3.23Å; W209-L213 WeakPolarHBondContact O-CB 3.49Å; W209-L213 PolarHBondContact O-N 2.88Å; F210-L213 PolarHBondContact O-N 3.22Å; L213-V216 PolarHBondContact O-N 3.13Å; L213-V217 WeakPolarHBondContact O-CG2 3.44Å; L213-V217 PolarHBondContact O-N 3.33Å; L213-V217 VanDerWaalsContact O-N 3.08Å |
| 214 | K | 90.9 | Very high | 89.5 | Confident | 20 Ų | 20 | 42.5 Ų | 42.5 | 9% | 0.087 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -55.6 | 177.3 | -85.2 | -76.6 | 169.3 | -175.2 | 0 | 113 | L139 E199 F210 K211 A212 V216 V217 T218 | L139-K214 HydrophobicContact CD2-CD 4Å; E199-K214 HydrophobicContact CG-CB 4.37Å; E199-K214 WeakPolarHBondContact OE1-CB 3.38Å; E199-K214 VanDerWaalsContact OE1-CD 3.24Å; E199-K214 WeakPolarHBondContact OE1-CD 3.23Å; F210-K214 HydrophobicContact CD1-CG 4.23Å; F210-K214 HydrophobicContact CE1-CG 3.88Å; F210-K214 HydrophobicContact CE2-CG 4.46Å; F210-K214 HydrophobicContact CZ-CD 4.48Å; F210-K214 HydrophobicContact CZ-CG 4.02Å; F210-K214 VanDerWaalsContact O-CB 3.29Å; F210-K214 WeakPolarHBondContact O-CB 3.46Å; F210-K214 WeakPolarHBondContact O-CG 3.35Å; F210-K214 PolarHBondContact O-N 3.36Å; K211-K214 PolarHBondContact O-N 3.45Å; A212-K214 VanDerWaalsContact C-N 3.28Å; A212-K214 PolarHBondContact O-N 2.82Å; K214-V216 VanDerWaalsContact C-N 3.27Å; K214-V216 PolarHBondContact O-N 3.31Å; K214-V217 WeakPolarHBondContact O-CB 3.41Å; K214-V217 PolarHBondContact O-N 3.48Å; K214-V217 VanDerWaalsContact O-N 3.08Å; K214-T218 PolarHBondContact O-N 3.03Å; K214-T218 PolarHBondContact O-OG1 2.81Å |
| 215 | V | 92.1 | Very high | 91 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.6 | -41.3 | 177.5 | 163.1 | 0 | 0 | 0 | 0 | 112.2 | T85 L196 E199 F200 K211 A212 T218 L219 | T85-V215 HydrophobicContact CG2-CG1 4.46Å; L196-V215 HydrophobicContact CD1-CB 4.41Å; L196-V215 HydrophobicContact CD1-CG1 4.15Å; L196-V215 HydrophobicContact CD1-CG2 4.37Å; E199-V215 HydrophobicContact CB-CG2 4.02Å; F200-V215 HydrophobicContact CD2-CG2 4.21Å; F200-V215 HydrophobicContact CE1-CG1 4.33Å; F200-V215 HydrophobicContact CE1-CG2 4.4Å; F200-V215 HydrophobicContact CE2-CG1 3.71Å; F200-V215 HydrophobicContact CE2-CG2 3.96Å; F200-V215 HydrophobicContact CZ-CB 4.45Å; F200-V215 HydrophobicContact CZ-CG1 3.47Å; F200-V215 VanDerWaalsContact CZ-CG1 3.47Å; F200-V215 HydrophobicContact CZ-CG2 4.06Å; K211-V215 WeakPolarHBondContact O-CB 3.29Å; K211-V215 WeakPolarHBondContact O-CG2 3.45Å; K211-V215 PolarHBondContact O-N 3.41Å; A212-V215 PolarHBondContact O-N 2.87Å; V215-T218 WeakPolarHBondContact CA-OG1 3.41Å; V215-T218 PolarHBondContact O-OG1 3Å; V215-T218 VanDerWaalsContact O-OG1 3.13Å; V215-L219 HydrophobicContact CG1-CD1 3.89Å; V215-L219 VanDerWaalsContact O-CB 3.32Å; V215-L219 WeakPolarHBondContact O-CB 3.26Å; V215-L219 WeakPolarHBondContact O-CD1 3.3Å; V215-L219 WeakPolarHBondContact O-CG 3.39Å; V215-L219 PolarHBondContact O-N 3.49Å |
| 216 | V | 93 | Very high | 92.2 | Very high | 40 Ų | 40 | 37.3 Ų | 37.3 | 24% | 0.242 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.1 | -40.2 | 178.7 | 164.3 | 0 | 0 | 0 | 0 | 111.8 | I89 A212 L213 K214 L220 | I89-V216 HydrophobicContact CD1-CB 4.07Å; I89-V216 HydrophobicContact CD1-CG1 4.37Å; I89-V216 HydrophobicContact CD1-CG2 3.57Å; A212-V216 PolarHBondContact O-N 2.96Å; L213-V216 PolarHBondContact O-N 3.13Å; K214-V216 VanDerWaalsContact C-N 3.27Å; K214-V216 PolarHBondContact O-N 3.31Å; V216-L220 HydrophobicContact CG1-CD1 3.59Å; V216-L220 WeakPolarHBondContact O-CB 3.4Å; V216-L220 WeakPolarHBondContact O-CD1 3.48Å; V216-L220 PolarHBondContact O-N 3.45Å |
| 217 | V | 94 | Very high | 93.1 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -48 | 176.5 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | T100 L104 F135 L213 K214 L220 A221 | T100-V217 HydrophobicContact CG2-CG2 3.24Å; L104-V217 HydrophobicContact CD1-CB 4.16Å; L104-V217 HydrophobicContact CD1-CG1 3.77Å; L104-V217 HydrophobicContact CD1-CG2 3.82Å; F135-V217 HydrophobicContact CE1-CG1 4.16Å; F135-V217 HydrophobicContact CE2-CG1 3.99Å; F135-V217 HydrophobicContact CZ-CG1 3.41Å; F135-V217 VanDerWaalsContact CZ-CG1 3.41Å; L213-V217 WeakPolarHBondContact O-CG2 3.44Å; L213-V217 PolarHBondContact O-N 3.33Å; L213-V217 VanDerWaalsContact O-N 3.08Å; K214-V217 WeakPolarHBondContact O-CB 3.41Å; K214-V217 PolarHBondContact O-N 3.48Å; K214-V217 VanDerWaalsContact O-N 3.08Å; V217-L220 PolarHBondContact O-N 2.95Å; V217-A221 WeakPolarHBondContact O-CB 3.3Å; V217-A221 PolarHBondContact O-N 3.44Å |
| 218 | T | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | 179.4 | 42.6 | 0 | 0 | 0 | 0 | 111.7 | F135 L139 M192 L196 E199 K214 V215 T222 | F135-T218 HydrophobicContact CE1-CG2 3.98Å; L139-T218 HydrophobicContact CD1-CG2 4.1Å; L139-T218 HydrophobicContact CD2-CG2 4.42Å; M192-T218 HydrophobicContact SD-CG2 4.4Å; L196-T218 VanDerWaalsContact CD1-OG1 3.28Å; L196-T218 WeakPolarHBondContact CD1-OG1 3.39Å; E199-T218 WeakPolarHBondContact OE1-CG2 3.37Å; E199-T218 WeakPolarHBondContact OE2-CB 3.46Å; E199-T218 VanDerWaalsContact OE2-CG2 3.24Å; E199-T218 WeakPolarHBondContact OE2-CG2 3.36Å; E199-T218 PolarHBondContact OE2-OG1 3.33Å; K214-T218 PolarHBondContact O-N 3.03Å; K214-T218 PolarHBondContact O-OG1 2.81Å; V215-T218 WeakPolarHBondContact CA-OG1 3.41Å; V215-T218 PolarHBondContact O-OG1 3Å; V215-T218 VanDerWaalsContact O-OG1 3.13Å; T218-T222 WeakPolarHBondContact O-CB 3.4Å; T218-T222 PolarHBondContact O-N 3.34Å; T218-T222 PolarHBondContact O-OG1 3.03Å |
| 219 | L | 95.3 | Very high | 94 | Very high | 59 Ų | 59 | 36 Ų | 36 | 31% | 0.309 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.8 | -51.8 | 171 | -76.4 | 169.6 | 0 | 0 | 0 | 112.2 | L196 V215 A221 T222 F223 | L196-L219 HydrophobicContact CD1-CD2 4.39Å; L196-L219 HydrophobicContact CD1-CG 4.01Å; L196-L219 HydrophobicContact CD2-CD2 3.69Å; L196-L219 HydrophobicContact CD2-CG 4.22Å; V215-L219 HydrophobicContact CG1-CD1 3.89Å; V215-L219 VanDerWaalsContact O-CB 3.32Å; V215-L219 WeakPolarHBondContact O-CB 3.26Å; V215-L219 WeakPolarHBondContact O-CD1 3.3Å; V215-L219 WeakPolarHBondContact O-CG 3.39Å; V215-L219 PolarHBondContact O-N 3.49Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-A221 PolarHBondContact O-N 3.08Å; L219-T222 WeakPolarHBondContact O-CB 3.47Å; L219-T222 PolarHBondContact O-N 2.89Å; L219-T222 VanDerWaalsContact O-N 3.16Å; L219-F223 HydrophobicContact CB-CD2 4.47Å; L219-F223 HydrophobicContact CB-CE2 4.26Å; L219-F223 HydrophobicContact CD2-CE2 4.29Å; L219-F223 WeakPolarHBondContact O-CD2 3.4Å; L219-F223 PolarHBondContact O-N 3.07Å |
| 220 | L | 96.4 | Very high | 94.2 | Very high | 75 Ų | 75 | 35.7 Ų | 35.7 | 39% | 0.393 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.8 | -41.1 | 179.4 | -87.4 | 150.3 | 0 | 0 | 0 | 112.4 | L104 V216 V217 S224 | L104-L220 HydrophobicContact CD2-CB 3.71Å; L104-L220 HydrophobicContact CD2-CD1 3.65Å; L104-L220 HydrophobicContact CD2-CD2 4.32Å; L104-L220 HydrophobicContact CD2-CG 4.09Å; V216-L220 HydrophobicContact CG1-CD1 3.59Å; V216-L220 WeakPolarHBondContact O-CB 3.4Å; V216-L220 WeakPolarHBondContact O-CD1 3.48Å; V216-L220 PolarHBondContact O-N 3.45Å; V217-L220 PolarHBondContact O-N 2.95Å; L220-S224 WeakPolarHBondContact O-CB 3.25Å; L220-S224 PolarHBondContact O-N 2.63Å |
| 221 | A | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.7 | -43.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F107 M192 V217 L219 S224 F225 | F107-A221 HydrophobicContact CD1-CB 3.83Å; F107-A221 HydrophobicContact CD2-CB 3.83Å; F107-A221 HydrophobicContact CE1-CB 3.82Å; F107-A221 HydrophobicContact CE2-CB 3.82Å; F107-A221 HydrophobicContact CG-CB 3.84Å; F107-A221 HydrophobicContact CZ-CB 3.83Å; M192-A221 HydrophobicContact CE-CB 3.63Å; M192-A221 HydrophobicContact SD-CB 4.19Å; V217-A221 WeakPolarHBondContact O-CB 3.3Å; V217-A221 PolarHBondContact O-N 3.44Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-A221 PolarHBondContact O-N 3.08Å; A221-S224 WeakPolarHBondContact O-CB 3.29Å; A221-S224 PolarHBondContact O-N 3.3Å; A221-F225 VanDerWaalsContact O-CD2 3.28Å; A221-F225 WeakPolarHBondContact O-CD2 3.24Å; A221-F225 PolarHBondContact O-N 2.9Å |
| 222 | T | 97 | Very high | 94.7 | Very high | 22 Ų | 22 | 34 Ų | 34 | 14% | 0.135 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.1 | -47.5 | 176.6 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | I189 M192 T218 L219 S224 F225 I226 | I189-T222 HydrophobicContact CG2-CG2 4.47Å; M192-T222 WeakPolarHBondContact CB-OG1 3.37Å; T218-T222 WeakPolarHBondContact O-CB 3.4Å; T218-T222 PolarHBondContact O-N 3.34Å; T218-T222 PolarHBondContact O-OG1 3.03Å; L219-T222 WeakPolarHBondContact O-CB 3.47Å; L219-T222 PolarHBondContact O-N 2.89Å; L219-T222 VanDerWaalsContact O-N 3.16Å; T222-S224 VanDerWaalsContact C-N 3.34Å; T222-S224 PolarHBondContact O-N 3.11Å; T222-F225 PolarHBondContact O-N 2.98Å; T222-I226 HydrophobicContact CG2-CD1 4.03Å; T222-I226 WeakPolarHBondContact O-CG1 3.5Å; T222-I226 PolarHBondContact O-N 3.43Å |
| 223 | F | 97.4 | Very high | 94.7 | Very high | 128 Ų | 128 | 38 Ų | 38 | 56% | 0.561 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61.3 | -41.1 | 176.8 | -72.9 | -59.7 | 0 | 0 | 0 | 112.2 | L219 F225 I226 T227 | L219-F223 HydrophobicContact CB-CD2 4.47Å; L219-F223 HydrophobicContact CB-CE2 4.26Å; L219-F223 HydrophobicContact CD2-CE2 4.29Å; L219-F223 WeakPolarHBondContact O-CD2 3.4Å; L219-F223 PolarHBondContact O-N 3.07Å; F223-F225 PolarHBondContact O-N 3.42Å; F223-I226 HydrophobicContact CD1-CD1 4.45Å; F223-I226 PolarHBondContact O-N 3.07Å; F223-T227 PolarHBondContact O-N 3.46Å; F223-T227 PolarHBondContact O-OG1 2.82Å; F223-T227 VanDerWaalsContact O-OG1 3.06Å |
| 224 | S | 97.6 | Very high | 94.7 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 174.3 | 137.5 | 0 | 0 | 0 | 0 | 112.5 | F107 Q128 L220 A221 T222 T227 T228 | F107-S224 WeakPolarHBondContact O-CB 3.37Å; F107-S224 PolarHBondContact O-OG 2.87Å; Q128-S224 PolarHBondContact NE2-O 2.97Å; Q128-S224 PolarHBondContact NE2-OG 3.15Å; L220-S224 WeakPolarHBondContact O-CB 3.25Å; L220-S224 PolarHBondContact O-N 2.63Å; A221-S224 WeakPolarHBondContact O-CB 3.29Å; A221-S224 PolarHBondContact O-N 3.3Å; T222-S224 VanDerWaalsContact C-N 3.34Å; T222-S224 PolarHBondContact O-N 3.11Å; S224-T227 PolarHBondContact O-N 3.27Å; S224-T228 PolarHBondContact O-N 2.96Å; S224-T228 PolarHBondContact O-OG1 3.09Å |
| 225 | F | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.3 | -39.1 | 175.2 | -82.1 | -62.9 | 0 | 0 | 0 | 112.7 | F107 Q128 M129 I185 V188 I189 M192 A221 T222 F223 T228 F229 | F107-F225 AromaticContact CD1-CE2 3.94Å; F107-F225 HydrophobicContact CD1-CE2 3.94Å; F107-F225 HydrophobicContact CD1-CZ 4.38Å; F107-F225 AromaticContact CE1-CE2 3.74Å; F107-F225 HydrophobicContact CE1-CE2 3.74Å; F107-F225 HydrophobicContact CE1-CZ 4.25Å; Q128-F225 HydrophobicContact CB-CE1 4.36Å; Q128-F225 HydrophobicContact CG-CD1 4.29Å; Q128-F225 HydrophobicContact CG-CE1 3.73Å; Q128-F225 HydrophobicContact CG-CZ 4.1Å; Q128-F225 VanDerWaalsContact O-CZ 3.31Å; Q128-F225 WeakPolarHBondContact O-CZ 3.35Å; M129-F225 HydrophobicContact CB-CE1 4.47Å; I185-F225 HydrophobicContact CG2-CD1 3.95Å; V188-F225 HydrophobicContact CB-CZ 4.48Å; V188-F225 HydrophobicContact CG1-CD2 4.09Å; V188-F225 HydrophobicContact CG1-CE1 4.41Å; V188-F225 HydrophobicContact CG1-CE2 3.47Å; V188-F225 VanDerWaalsContact CG1-CE2 3.47Å; V188-F225 HydrophobicContact CG1-CZ 3.66Å; I189-F225 HydrophobicContact CD1-CB 3.92Å; I189-F225 HydrophobicContact CG1-CB 3.59Å; I189-F225 HydrophobicContact CG1-CG 4.31Å; M192-F225 HydrophobicContact CE-CE2 4.2Å; A221-F225 VanDerWaalsContact O-CD2 3.28Å; A221-F225 WeakPolarHBondContact O-CD2 3.24Å; A221-F225 PolarHBondContact O-N 2.9Å; T222-F225 PolarHBondContact O-N 2.98Å; F223-F225 PolarHBondContact O-N 3.42Å; F225-T228 WeakPolarHBondContact O-CB 3.3Å; F225-T228 PolarHBondContact O-N 3.01Å; F225-T228 VanDerWaalsContact O-N 3.16Å; F225-F229 PolarHBondContact O-N 3.09Å |
| 226 | I | 97.2 | Very high | 93.7 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 173.4 | -67.1 | 165.6 | 0 | 0 | 0 | 110.3 | T222 F223 T228 F229 V230 | T222-I226 HydrophobicContact CG2-CD1 4.03Å; T222-I226 WeakPolarHBondContact O-CG1 3.5Å; T222-I226 PolarHBondContact O-N 3.43Å; F223-I226 HydrophobicContact CD1-CD1 4.45Å; F223-I226 PolarHBondContact O-N 3.07Å; I226-T228 PolarHBondContact O-N 3.46Å; I226-F229 PolarHBondContact O-N 2.79Å; I226-V230 HydrophobicContact CG2-CG2 4.41Å; I226-V230 WeakPolarHBondContact O-CG2 3.43Å; I226-V230 PolarHBondContact O-N 3.3Å |
| 227 | T | 96.3 | Very high | 92.6 | Very high | 59 Ų | 59 | 52 Ų | 52 | 36% | 0.362 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.4 | -40.5 | 174.3 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | P111 F223 S224 V230 V231 | P111-T227 HydrophobicContact CB-CG2 3.9Å; F223-T227 PolarHBondContact O-N 3.46Å; F223-T227 PolarHBondContact O-OG1 2.82Å; F223-T227 VanDerWaalsContact O-OG1 3.06Å; S224-T227 PolarHBondContact O-N 3.27Å; T227-V230 PolarHBondContact O-N 3.41Å; T227-V231 HydrophobicContact CG2-CG2 4.35Å; T227-V231 WeakPolarHBondContact O-CB 3.43Å; T227-V231 VanDerWaalsContact O-CG2 3.23Å; T227-V231 WeakPolarHBondContact O-CG2 3.29Å; T227-V231 PolarHBondContact O-N 3.45Å |
| 228 | T | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 179.8 | -54 | 0 | 0 | 0 | 0 | 112.3 | P111 M114 A125 Q128 I185 S224 F225 I226 V231 K232 | P111-T228 WeakPolarHBondContact CB-OG1 3.31Å; M114-T228 HydrophobicContact CE-CG2 3.83Å; A125-T228 HydrophobicContact CB-CG2 4.04Å; Q128-T228 PolarHBondContact NE2-OG1 2.57Å; Q128-T228 PolarHBondContact OE1-OG1 3.17Å; I185-T228 HydrophobicContact CD1-CG2 4.35Å; S224-T228 PolarHBondContact O-N 2.96Å; S224-T228 PolarHBondContact O-OG1 3.09Å; F225-T228 WeakPolarHBondContact O-CB 3.3Å; F225-T228 PolarHBondContact O-N 3.01Å; F225-T228 VanDerWaalsContact O-N 3.16Å; I226-T228 PolarHBondContact O-N 3.46Å; T228-V231 PolarHBondContact O-N 3.26Å; T228-K232 PolarHBondContact O-N 2.79Å |
| 229 | F | 94.4 | Very high | 88.9 | Confident | 83 Ų | 83 | 64.3 Ų | 64.3 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 175.3 | -169.7 | -91.8 | 0 | 0 | 0 | 111.3 | V186 F225 I226 K232 S233 | V186-F229 HydrophobicContact CG2-CD2 4.09Å; V186-F229 HydrophobicContact CG2-CE2 3.65Å; V186-F229 HydrophobicContact CG2-CZ 4.39Å; F225-F229 PolarHBondContact O-N 3.09Å; I226-F229 PolarHBondContact O-N 2.79Å; F229-K232 WeakPolarHBondContact O-CB 3.25Å; F229-K232 PolarHBondContact O-N 2.99Å; F229-S233 PolarHBondContact O-N 3.34Å; F229-S233 VanDerWaalsContact O-N 3.08Å; F229-S233 PolarHBondContact O-OG 3.46Å; F229-S233 VanDerWaalsContact O-OG 3.11Å |
| 230 | V | 95 | Very high | 86.6 | Confident | 68 Ų | 68 | 69.5 Ų | 69.5 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | I226 T227 K232 S233 I234 | I226-V230 HydrophobicContact CG2-CG2 4.41Å; I226-V230 WeakPolarHBondContact O-CG2 3.43Å; I226-V230 PolarHBondContact O-N 3.3Å; T227-V230 PolarHBondContact O-N 3.41Å; V230-K232 VanDerWaalsContact C-N 3.29Å; V230-K232 PolarHBondContact O-N 3.49Å; V230-S233 WeakPolarHBondContact O-CB 3.37Å; V230-S233 PolarHBondContact O-N 2.81Å; V230-I234 HydrophobicContact CG1-CD1 3.68Å; V230-I234 HydrophobicContact CG1-CG1 4.36Å; V230-I234 WeakPolarHBondContact O-CG1 3.31Å; V230-I234 PolarHBondContact O-N 2.94Å |
| 231 | V | 93.7 | Very high | 84.1 | Confident | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.024 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.9 | -41.8 | 175 | 160.8 | 0 | 0 | 0 | 0 | 111.1 | M114 Y120 T227 T228 S233 I234 F235 | M114-V231 HydrophobicContact CB-CG1 3.73Å; M114-V231 HydrophobicContact SD-CG1 4.45Å; Y120-V231 HydrophobicContact CD2-CG1 4.48Å; T227-V231 HydrophobicContact CG2-CG2 4.35Å; T227-V231 WeakPolarHBondContact O-CB 3.43Å; T227-V231 VanDerWaalsContact O-CG2 3.23Å; T227-V231 WeakPolarHBondContact O-CG2 3.29Å; T227-V231 PolarHBondContact O-N 3.45Å; T228-V231 PolarHBondContact O-N 3.26Å; V231-S233 VanDerWaalsContact C-N 3.33Å; V231-S233 PolarHBondContact O-N 2.77Å; V231-I234 PolarHBondContact O-N 3.05Å; V231-F235 HydrophobicContact CG1-CD2 4.14Å; V231-F235 WeakPolarHBondContact O-CD2 3.46Å; V231-F235 PolarHBondContact O-N 2.93Å |
| 232 | K | 92.2 | Very high | 81.6 | Confident | 47 Ų | 47 | 85.5 Ų | 85.5 | 20% | 0.204 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 173.7 | -172 | 175 | -171.4 | 160.2 | 0 | 112.6 | Y120 S182 T228 F229 V230 F235 | Y120-K232 HydrophobicContact CD1-CG 4.21Å; Y120-K232 HydrophobicContact CD2-CB 3.66Å; Y120-K232 HydrophobicContact CD2-CG 3.99Å; Y120-K232 HydrophobicContact CE1-CD 4.01Å; Y120-K232 HydrophobicContact CE1-CG 4.08Å; Y120-K232 HydrophobicContact CE2-CB 3.67Å; Y120-K232 HydrophobicContact CE2-CD 3.95Å; Y120-K232 HydrophobicContact CE2-CG 3.86Å; Y120-K232 HydrophobicContact CG-CB 4.23Å; Y120-K232 HydrophobicContact CG-CG 4.15Å; S182-K232 WeakPolarHBondContact OG-CE 3.27Å; S182-K232 PolarHBondContact OG-NZ 2.95Å; T228-K232 PolarHBondContact O-N 2.79Å; F229-K232 WeakPolarHBondContact O-CB 3.25Å; F229-K232 PolarHBondContact O-N 2.99Å; V230-K232 VanDerWaalsContact C-N 3.29Å; V230-K232 PolarHBondContact O-N 3.49Å; K232-F235 CarbonylContact O-C 3.46Å |
| 233 | S | 89.9 | Confident | 79.4 | Confident | 85 Ų | 85 | 89.2 Ų | 89.2 | 59% | 0.594 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.5 | -33.6 | 178.3 | -55.3 | 0 | 0 | 0 | 0 | 113.2 | F229 V230 V231 | F229-S233 PolarHBondContact O-N 3.34Å; F229-S233 VanDerWaalsContact O-N 3.08Å; F229-S233 PolarHBondContact O-OG 3.46Å; F229-S233 VanDerWaalsContact O-OG 3.11Å; V230-S233 WeakPolarHBondContact O-CB 3.37Å; V230-S233 PolarHBondContact O-N 2.81Å; V231-S233 VanDerWaalsContact C-N 3.33Å; V231-S233 PolarHBondContact O-N 2.77Å |
| 234 | I | 91.3 | Very high | 77.2 | Confident | 106 Ų | 106 | 90.2 Ų | 90.2 | 54% | 0.544 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -81.5 | -40.1 | 179.1 | -64.2 | 168.9 | 0 | 0 | 0 | 111.5 | V230 V231 P236 | V230-I234 HydrophobicContact CG1-CD1 3.68Å; V230-I234 HydrophobicContact CG1-CG1 4.36Å; V230-I234 WeakPolarHBondContact O-CG1 3.31Å; V230-I234 PolarHBondContact O-N 2.94Å; V231-I234 PolarHBondContact O-N 3.05Å; I234-P236 VanDerWaalsContact C-CD 3.41Å; I234-P236 WeakPolarHBondContact O-CD 3.1Å |
| 235 | F | 87.6 | Confident | 74.9 | Confident | 59 Ų | 59 | 99.2 Ų | 99.2 | 26% | 0.259 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -115.4 | 72.4 | -178.6 | -52.4 | -67.8 | 0 | 0 | 0 | 109.6 | K118 Y120 V231 K232 E237 | K118-F235 HydrophobicContact CB-CE1 3.83Å; K118-F235 HydrophobicContact CB-CE2 4.39Å; K118-F235 HydrophobicContact CB-CZ 3.73Å; K118-F235 HydrophobicContact CG-CZ 4.17Å; K118-F235 WeakPolarHBondContact O-CD1 3.32Å; K118-F235 WeakPolarHBondContact O-CE1 3.4Å; K118-F235 WeakPolarHBondContact O-CG 3.39Å; Y120-F235 WeakPolarHBondContact CB-O 3.28Å; V231-F235 HydrophobicContact CG1-CD2 4.14Å; V231-F235 WeakPolarHBondContact O-CD2 3.46Å; V231-F235 PolarHBondContact O-N 2.93Å; K232-F235 CarbonylContact O-C 3.46Å; F235-E237 PolarHBondContact O-N 3.14Å |
| 236 | P | 75 | Confident | 72.6 | Confident | 95 Ų | 95 | 109.4 Ų | 109.4 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | trans | -56.8 | 138.1 | 178.8 | 24.4 | -33.9 | 0 | 0 | 0 | 110 | I234 K238 | I234-P236 VanDerWaalsContact C-CD 3.41Å; I234-P236 WeakPolarHBondContact O-CD 3.1Å; P236-K238 PolarHBondContact O-N 3.28Å | ||
| 237 | E | 69.8 | Low | 71.4 | Confident | 109 Ų | 109 | 111.1 Ų | 111.1 | 51% | 0.509 | 58% | 0.576 | S | S | . | * | trans | -52.8 | 122.7 | 177 | -171.8 | 170.9 | 172.6 | 0 | 0 | 109.4 | Y120 P122 F235 G239 | Y120-E237 HydrophobicContact CD1-CB 4.29Å; P122-E237 HydrophobicContact CG-CG 4.34Å; P122-E237 WeakPolarHBondContact CG-OE1 3.41Å; F235-E237 PolarHBondContact O-N 3.14Å; E237-G239 VanDerWaalsContact C-N 3.3Å; E237-G239 PolarHBondContact O-N 3.19Å | ||
| 238 | K | 59.5 | Low | 70.1 | Confident | 204 Ų | 204 | 113.8 Ų | 113.8 | 89% | 0.887 | 59% | 0.588 | S | S | * | * | trans | -64.2 | 95.7 | 177.2 | -73.9 | -175.6 | 179.5 | 178.7 | 0 | 107.7 | P236 H240 | P236-K238 PolarHBondContact O-N 3.28Å; K238-H240 PolarHBondContact O-N 3.42Å; K238-H240 VanDerWaalsContact O-N 3.07Å | ||
| 239 | G | 52.4 | Low | 68.7 | Low | 62 Ų | 62 | 120.2 Ų | 120.2 | 64% | 0.639 | 62% | 0.62 | S | S | * | * | trans | -51.8 | 116.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E237 K241 | E237-G239 VanDerWaalsContact C-N 3.3Å; E237-G239 PolarHBondContact O-N 3.19Å; G239-K241 PolarHBondContact O-N 3.08Å | ||
| 240 | H | 45.7 | Very low | 67.2 | Low | 168 Ų | 168 | 122.4 Ų | 122.4 | 78% | 0.778 | 64% | 0.635 | S | S | * | * | trans | -68.4 | 87.5 | 167.6 | -171 | 83.7 | 0 | 0 | 0 | 107.4 | K238 R242 | K238-H240 PolarHBondContact O-N 3.42Å; K238-H240 VanDerWaalsContact O-N 3.07Å; H240-R242 PolarHBondContact O-N 3.41Å | ||
| 241 | K | 45.4 | Very low | 65.4 | Low | 190 Ų | 190 | 125.8 Ų | 125.8 | 83% | 0.826 | 65% | 0.649 | S | S | * | * | trans | -55.1 | 113.9 | 165.9 | -72.5 | -173.4 | 176.8 | -174.4 | 0 | 106.3 | G239 P243 | G239-K241 PolarHBondContact O-N 3.08Å; K241-P243 VanDerWaalsContact O-CD 3.27Å; K241-P243 WeakPolarHBondContact O-CD 3.46Å | ||
| 242 | R | 44 | Very low | 63.6 | Low | 221 Ų | 221 | 133.9 Ų | 133.9 | 83% | 0.834 | 69% | 0.691 | S | S | * | * | trans | -61.5 | 122.5 | 161.7 | -61.5 | -172 | -164.1 | -161.5 | 5.2 | 106.2 | H240 | H240-R242 PolarHBondContact O-N 3.41Š| ||
| 243 | P | 49.3 | Very low | 61.5 | Low | 101 Ų | 101 | 140.1 Ų | 140.1 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -59.3 | 152 | 146.4 | 31.5 | -31.5 | 0 | 0 | 0 | 107.1 | K241 | K241-P243 VanDerWaalsContact O-CD 3.27Å; K241-P243 WeakPolarHBondContact O-CD 3.46Å |
| 244 | D | 52.3 | Low | 59.3 | Low | 149 Ų | 149 | 144.3 Ų | 144.3 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | 102.7 | 58.5 | -178.5 | -49.1 | -18.1 | 0 | 0 | 0 | 115.4 | ||||
| 245 | Q | 50.1 | Low | 56.7 | Low | 198 Ų | 198 | 147.5 Ų | 147.5 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | trans | -135.4 | 101.4 | 134.1 | -94.6 | -175.6 | -8.7 | 0 | 0 | 107.9 | ||||
| 246 | V | 49.1 | Very low | 53.9 | Low | 214 Ų | 214 | 155.5 Ų | 155.5 | 100% | 1.297 | 80% | 0.797 | S | S | * | * | trans | -122.3 | 0 | 166.8 | 178.1 | 0 | 0 | 0 | 0 | 106.2 |
Retrieved 246 of 246 residues in 1984.6 ms
(Link to these results)